# 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/T0307/ # command:# Making conformation for sequence T0307 numbered 1 through 133 Created new target T0307 from T0307.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0307/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0307//projects/compbio/experiments/protein-predict/casp7/T0307/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0307//projects/compbio/experiments/protein-predict/casp7/T0307/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0307/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0307/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((T0307)I35.CB, (T0307)I67.CB) [> 3.0874 = 5.1456 < 6.6894] w=1.0000 to align # Constraint # added constraint: constraint((T0307)A63.CB, (T0307)L75.CB) [> 3.8153 = 6.3589 < 8.2665] w=0.9258 to align # Constraint # added constraint: constraint((T0307)I40.CB, (T0307)V57.CB) [> 3.2850 = 5.4750 < 7.1175] w=0.8849 to align # Constraint # added constraint: constraint((T0307)L60.CB, (T0307)L75.CB) [> 3.1339 = 5.2231 < 6.7901] w=0.8640 to align # Constraint # added constraint: constraint((T0307)I40.CB, (T0307)L61.CB) [> 3.7319 = 6.2198 < 8.0857] w=0.8441 to align # Constraint # added constraint: constraint((T0307)I35.CB, (T0307)A72.CB) [> 4.0914 = 6.8191 < 8.8648] w=0.8436 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)I101.CB) [> 3.4373 = 5.7288 < 7.4474] w=0.8180 to align # Constraint # added constraint: constraint((T0307)A96.CB, (T0307)E105.CB) [> 4.4225 = 7.3708 < 9.5820] w=0.8140 to align # Constraint # added constraint: constraint((T0307)K36.CB, (T0307)S66.CB) [> 3.7674 = 6.2790 < 8.1627] w=0.8068 to align # Constraint # added constraint: constraint((T0307)L61.CB, (T0307)A72.CB) [> 3.9206 = 6.5343 < 8.4946] w=0.8004 to align # Constraint # added constraint: constraint((T0307)K34.CB, (T0307)E68.CB) [> 3.6444 = 6.0739 < 7.8961] w=0.7308 to align # Constraint # added constraint: constraint((T0307)T44.CB, (T0307)V57.CB) [> 3.5090 = 5.8484 < 7.6029] w=0.7279 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)E39.CB) [> 3.2745 = 5.4575 < 7.0948] w=0.6993 to align # Constraint # added constraint: constraint((T0307)K34.CB, (T0307)I67.CB) [> 3.6458 = 6.0763 < 7.8992] w=0.6885 to align # Constraint # added constraint: constraint((T0307)P37.CB, (T0307)L61.CB) [> 3.1922 = 5.3204 < 6.9165] w=0.6851 to align # Constraint # added constraint: constraint((T0307)S64.CB, (T0307)L75.CB) [> 3.5483 = 5.9138 < 7.6880] w=0.6460 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)A69.CB) [> 4.0437 = 6.7395 < 8.7614] w=0.6316 to align # Constraint # added constraint: constraint((T0307)M28.CB, (T0307)M43.CB) [> 3.8226 = 6.3709 < 8.2822] w=0.6245 to align # Constraint # added constraint: constraint((T0307)M30.CB, (T0307)E39.CB) [> 3.7483 = 6.2472 < 8.1213] w=0.6150 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)A72.CB) [> 4.2395 = 7.0659 < 9.1857] w=0.5998 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)I76.CB) [> 4.0705 = 6.7842 < 8.8195] w=0.5960 to align # Constraint # added constraint: constraint((T0307)M95.CB, (T0307)E105.CB) [> 3.2750 = 5.4584 < 7.0960] w=0.5929 to align # Constraint # added constraint: constraint((T0307)A41.CB, (T0307)I52.CB) [> 3.6571 = 6.0952 < 7.9237] w=0.5408 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)V73.CB) [> 3.8660 = 6.4434 < 8.3764] w=0.5176 to align # Constraint # added constraint: constraint((T0307)P37.CB, (T0307)V57.CB) [> 3.6600 = 6.0999 < 7.9299] w=0.5132 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)E105.CB) [> 3.4660 = 5.7766 < 7.5096] w=0.5127 to align # Constraint # added constraint: constraint((T0307)A25.CB, (T0307)A72.CB) [> 3.7183 = 6.1971 < 8.0563] w=0.5100 to align # Constraint # added constraint: constraint((T0307)P37.CB, (T0307)D58.CB) [> 3.8949 = 6.4914 < 8.4388] w=0.4946 to align # Constraint # added constraint: constraint((T0307)A63.CB, (T0307)A72.CB) [> 3.6153 = 6.0255 < 7.8331] w=0.4846 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)A72.CB) [> 4.4864 = 7.4774 < 9.7206] w=0.4815 to align # Constraint # added constraint: constraint((T0307)A107.CB, (T0307)V123.CB) [> 3.2564 = 5.4273 < 7.0555] w=0.4754 to align # Constraint # added constraint: constraint((T0307)L106.CB, (T0307)I127.CB) [> 3.4529 = 5.7549 < 7.4813] w=0.4750 to align # Constraint # added constraint: constraint((T0307)K26.CB, (T0307)A69.CB) [> 3.3779 = 5.6298 < 7.3188] w=0.4608 to align # Constraint # added constraint: constraint((T0307)K23.CB, (T0307)A69.CB) [> 3.9853 = 6.6421 < 8.6348] w=0.4608 to align # Constraint # added constraint: constraint((T0307)I40.CB, (T0307)I67.CB) [> 3.9437 = 6.5728 < 8.5446] w=0.4555 to align # Constraint # added constraint: constraint((T0307)A41.CB, (T0307)L53.CB) [> 3.7604 = 6.2674 < 8.1476] w=0.4432 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)I76.CB) [> 4.1344 = 6.8908 < 8.9580] w=0.4347 to align # Constraint # added constraint: constraint((T0307)G92.CA, (T0307)I101.CB) [> 3.3536 = 5.5894 < 7.2662] w=0.4283 to align # Constraint # added constraint: constraint((T0307)A25.CB, (T0307)A69.CB) [> 3.1981 = 5.3302 < 6.9293] w=0.4274 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)V73.CB) [> 3.5408 = 5.9014 < 7.6718] w=0.4274 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)V73.CB) [> 3.8128 = 6.3547 < 8.2612] w=0.4258 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)I40.CB) [> 4.0376 = 6.7294 < 8.7482] w=0.4169 to align # Constraint # added constraint: constraint((T0307)I76.CB, (T0307)V87.CB) [> 3.7478 = 6.2463 < 8.1202] w=0.4011 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)W109.CB) [> 3.6116 = 6.0194 < 7.8252] w=0.3960 to align # Constraint # added constraint: constraint((T0307)L59.CB, (T0307)Y90.CB) [> 3.8513 = 6.4189 < 8.3445] w=0.3942 to align # Constraint # added constraint: constraint((T0307)F13.CB, (T0307)V73.CB) [> 4.0531 = 6.7552 < 8.7817] w=0.3526 to align # Constraint # added constraint: constraint((T0307)L106.CB, (T0307)V123.CB) [> 3.4362 = 5.7270 < 7.4451] w=0.3467 to align # Constraint # added constraint: constraint((T0307)Q56.CB, (T0307)M79.CB) [> 4.0383 = 6.7305 < 8.7497] w=0.3221 to align # Constraint # added constraint: constraint((T0307)M95.CB, (T0307)L108.CB) [> 4.3181 = 7.1968 < 9.3559] w=0.3177 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)V42.CB) [> 4.3230 = 7.2050 < 9.3665] w=0.3153 to align # Constraint # added constraint: constraint((T0307)T19.CB, (T0307)V73.CB) [> 4.0900 = 6.8166 < 8.8616] w=0.3139 to align # Constraint # added constraint: constraint((T0307)L59.CB, (T0307)L75.CB) [> 3.9909 = 6.6515 < 8.6469] w=0.2993 to align # Constraint # added constraint: constraint((T0307)Q56.CB, (T0307)L75.CB) [> 4.3006 = 7.1677 < 9.3179] w=0.2993 to align # Constraint # added constraint: constraint((T0307)M95.CB, (T0307)W109.CB) [> 4.2669 = 7.1115 < 9.2450] w=0.2874 to align # Constraint # added constraint: constraint((T0307)F47.CB, (T0307)V57.CB) [> 3.4069 = 5.6782 < 7.3816] w=0.2785 to align # Constraint # added constraint: constraint((T0307)A31.CB, (T0307)V42.CB) [> 3.8146 = 6.3576 < 8.2649] w=0.2784 to align # Constraint # added constraint: constraint((T0307)L111.CB, (T0307)V123.CB) [> 3.5683 = 5.9472 < 7.7314] w=0.2776 to align # Constraint # added constraint: constraint((T0307)L60.CB, (T0307)Q71.CB) [> 3.6476 = 6.0794 < 7.9032] w=0.2775 to align # Constraint # added constraint: constraint((T0307)F13.CB, (T0307)A77.CB) [> 3.6485 = 6.0808 < 7.9050] w=0.2745 to align # Constraint # added constraint: constraint((T0307)Y90.CB, (T0307)I101.CB) [> 3.8348 = 6.3914 < 8.3088] w=0.2709 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)A69.CB) [> 4.7507 = 7.9179 < 10.2933] w=0.2679 to align # Constraint # added constraint: constraint((T0307)A63.CB, (T0307)Y86.CB) [> 4.3766 = 7.2943 < 9.4826] w=0.2648 to align # Constraint # added constraint: constraint((T0307)I112.CB, (T0307)V123.CB) [> 4.7287 = 7.8811 < 10.2455] w=0.2647 to align # Constraint # added constraint: constraint((T0307)G92.CA, (T0307)L106.CB) [> 3.7062 = 6.1769 < 8.0300] w=0.2597 to align # Constraint # added constraint: constraint((T0307)Y90.CB, (T0307)L108.CB) [> 4.5111 = 7.5186 < 9.7742] w=0.2597 to align # Constraint # added constraint: constraint((T0307)M28.CB, (T0307)E39.CB) [> 3.0492 = 5.0820 < 6.6066] w=0.2418 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)L60.CB) [> 4.2601 = 7.1002 < 9.2302] w=0.2409 to align # Constraint # added constraint: constraint((T0307)I76.CB, (T0307)Y86.CB) [> 4.4334 = 7.3890 < 9.6057] w=0.2383 to align # Constraint # added constraint: constraint((T0307)D58.CB, (T0307)I67.CB) [> 3.4063 = 5.6772 < 7.3804] w=0.2374 to align # Constraint # added constraint: constraint((T0307)F50.CB, (T0307)M79.CB) [> 3.7275 = 6.2124 < 8.0762] w=0.2356 to align # Constraint # added constraint: constraint((T0307)F47.CB, (T0307)L60.CB) [> 3.9246 = 6.5410 < 8.5034] w=0.2303 to align # Constraint # added constraint: constraint((T0307)T44.CB, (T0307)L53.CB) [> 3.3461 = 5.5768 < 7.2499] w=0.2282 to align # Constraint # added constraint: constraint((T0307)Q56.CB, (T0307)T114.CB) [> 3.9502 = 6.5837 < 8.5589] w=0.2264 to align # Constraint # added constraint: constraint((T0307)A63.CB, (T0307)S89.CB) [> 3.8219 = 6.3698 < 8.2808] w=0.2264 to align # Constraint # added constraint: constraint((T0307)A63.CB, (T0307)Y90.CB) [> 2.8612 = 4.7687 < 6.1993] w=0.2264 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)L108.CB) [> 3.0737 = 5.1228 < 6.6596] w=0.2264 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)W109.CB) [> 3.3654 = 5.6089 < 7.2916] w=0.2212 to align # Constraint # added constraint: constraint((T0307)M28.CB, (T0307)V42.CB) [> 3.8619 = 6.4364 < 8.3673] w=0.2135 to align # Constraint # added constraint: constraint((T0307)M30.CB, (T0307)M43.CB) [> 3.7188 = 6.1980 < 8.0574] w=0.2130 to align # Constraint # added constraint: constraint((T0307)M24.CB, (T0307)I76.CB) [> 4.6174 = 7.6957 < 10.0044] w=0.2097 to align # Constraint # added constraint: constraint((T0307)D55.CB, (T0307)M95.CB) [> 4.4295 = 7.3824 < 9.5971] w=0.2079 to align # Constraint # added constraint: constraint((T0307)M95.CB, (T0307)L111.CB) [> 4.5478 = 7.5797 < 9.8536] w=0.2040 to align # Constraint # added constraint: constraint((T0307)F47.CB, (T0307)Q56.CB) [> 3.6737 = 6.1229 < 7.9597] w=0.2035 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)A31.CB) [> 3.6120 = 6.0200 < 7.8260] w=0.1944 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)L108.CB) [> 4.0395 = 6.7324 < 8.7522] w=0.1932 to align # Constraint # added constraint: constraint((T0307)R45.CB, (T0307)Q54.CB) [> 4.0347 = 6.7245 < 8.7418] w=0.1916 to align # Constraint # added constraint: constraint((T0307)A88.CB, (T0307)S97.CB) [> 4.3404 = 7.2340 < 9.4043] w=0.1914 to align # Constraint # added constraint: constraint((T0307)A25.CB, (T0307)F47.CB) [> 3.2144 = 5.3573 < 6.9646] w=0.1909 to align # Constraint # added constraint: constraint((T0307)A107.CB, (T0307)T120.CB) [> 4.0806 = 6.8011 < 8.8414] w=0.1861 to align # Constraint # added constraint: constraint((T0307)L59.CB, (T0307)L111.CB) [> 3.6604 = 6.1006 < 7.9308] w=0.1849 to align # Constraint # added constraint: constraint((T0307)L59.CB, (T0307)L108.CB) [> 3.7154 = 6.1923 < 8.0500] w=0.1849 to align # Constraint # added constraint: constraint((T0307)I52.CB, (T0307)L115.CB) [> 3.8475 = 6.4125 < 8.3362] w=0.1849 to align # Constraint # added constraint: constraint((T0307)A25.CB, (T0307)V73.CB) [> 4.6838 = 7.8063 < 10.1481] w=0.1775 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)I76.CB) [> 4.1073 = 6.8455 < 8.8991] w=0.1716 to align # Constraint # added constraint: constraint((T0307)I52.CB, (T0307)I112.CB) [> 4.1533 = 6.9222 < 8.9989] w=0.1678 to align # Constraint # added constraint: constraint((T0307)L60.CB, (T0307)A74.CB) [> 4.1035 = 6.8392 < 8.8910] w=0.1678 to align # Constraint # added constraint: constraint((T0307)A107.CB, (T0307)I127.CB) [> 3.2860 = 5.4767 < 7.1197] w=0.1678 to align # Constraint # added constraint: constraint((T0307)A25.CB, (T0307)K36.CB) [> 4.0483 = 6.7472 < 8.7713] w=0.1620 to align # Constraint # added constraint: constraint((T0307)T12.CB, (T0307)R78.CB) [> 3.4451 = 5.7418 < 7.4643] w=0.1618 to align # Constraint # added constraint: constraint((T0307)T12.CB, (T0307)A77.CB) [> 2.9280 = 4.8800 < 6.3440] w=0.1618 to align # Constraint # added constraint: constraint((T0307)L111.CB, (T0307)T122.CB) [> 4.5345 = 7.5575 < 9.8247] w=0.1603 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)A31.CB) [> 4.3111 = 7.1852 < 9.3407] w=0.1572 to align # Constraint # added constraint: constraint((T0307)F50.CB, (T0307)I76.CB) [> 3.9313 = 6.5522 < 8.5179] w=0.1550 to align # Constraint # added constraint: constraint((T0307)R49.CB, (T0307)C116.CB) [> 3.7332 = 6.2221 < 8.0887] w=0.1547 to align # Constraint # added constraint: constraint((T0307)V87.CB, (T0307)L115.CB) [> 4.6058 = 7.6764 < 9.9793] w=0.1547 to align # Constraint # added constraint: constraint((T0307)L111.CB, (T0307)A126.CB) [> 4.4886 = 7.4810 < 9.7253] w=0.1509 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)L106.CB) [> 3.9082 = 6.5137 < 8.4678] w=0.1502 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)L108.CB) [> 4.3138 = 7.1896 < 9.3465] w=0.1502 to align # Constraint # added constraint: constraint((T0307)I112.CB, (T0307)M124.CB) [> 3.9464 = 6.5774 < 8.5506] w=0.1493 to align # Constraint # added constraint: constraint((T0307)T110.CB, (T0307)V123.CB) [> 3.9836 = 6.6393 < 8.6312] w=0.1357 to align # Constraint # added constraint: constraint((T0307)T19.CB, (T0307)S64.CB) [> 3.3027 = 5.5045 < 7.1558] w=0.1343 to align # Constraint # added constraint: constraint((T0307)I22.CB, (T0307)L61.CB) [> 3.3143 = 5.5238 < 7.1809] w=0.1316 to align # Constraint # added constraint: constraint((T0307)V42.CB, (T0307)L53.CB) [> 4.0093 = 6.6822 < 8.6869] w=0.1262 to align # Constraint # added constraint: constraint((T0307)L106.CB, (T0307)M130.CB) [> 3.3927 = 5.6545 < 7.3508] w=0.1226 to align # Constraint # added constraint: constraint((T0307)Q54.CB, (T0307)A96.CB) [> 4.0484 = 6.7473 < 8.7715] w=0.1202 to align # Constraint # added constraint: constraint((T0307)V73.CB, (T0307)A96.CB) [> 4.5362 = 7.5604 < 9.8285] w=0.1200 to align # Constraint # added constraint: constraint((T0307)T114.CB, (T0307)V123.CB) [> 3.4533 = 5.7555 < 7.4822] w=0.1174 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)W109.CB) [> 3.7320 = 6.2201 < 8.0861] w=0.1172 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)I112.CB) [> 3.9040 = 6.5066 < 8.4586] w=0.1161 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)A107.CB) [> 3.8499 = 6.4164 < 8.3413] w=0.1155 to align # Constraint # added constraint: constraint((T0307)M95.CB, (T0307)A107.CB) [> 4.3546 = 7.2577 < 9.4350] w=0.1154 to align # Constraint # added constraint: constraint((T0307)S113.CB, (T0307)M124.CB) [> 4.4761 = 7.4602 < 9.6983] w=0.1129 to align # Constraint # added constraint: constraint((T0307)M24.CB, (T0307)L91.CB) [> 3.1145 = 5.1908 < 6.7480] w=0.1103 to align # Constraint # added constraint: constraint((T0307)M24.CB, (T0307)V87.CB) [> 3.6442 = 6.0736 < 7.8957] w=0.1103 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)Y90.CB) [> 3.9514 = 6.5857 < 8.5614] w=0.1103 to align # Constraint # added constraint: constraint((T0307)L59.CB, (T0307)V93.CB) [> 4.1210 = 6.8684 < 8.9289] w=0.1102 to align # Constraint # added constraint: constraint((T0307)A38.CB, (T0307)V57.CB) [> 3.6049 = 6.0081 < 7.8106] w=0.0847 to align # Constraint # added constraint: constraint((T0307)T110.CB, (T0307)I127.CB) [> 4.0089 = 6.6815 < 8.6859] w=0.0847 to align # Constraint # added constraint: constraint((T0307)I112.CB, (T0307)I127.CB) [> 3.7696 = 6.2827 < 8.1675] w=0.0840 to align # Constraint # added constraint: constraint((T0307)Y86.CB, (T0307)L111.CB) [> 3.6372 = 6.0620 < 7.8806] w=0.0840 to align # Constraint # added constraint: constraint((T0307)F13.CB, (T0307)I76.CB) [> 4.7943 = 7.9904 < 10.3875] w=0.0831 to align # Constraint # added constraint: constraint((T0307)L115.CB, (T0307)A126.CB) [> 3.3038 = 5.5064 < 7.1583] w=0.0823 to align # Constraint # added constraint: constraint((T0307)I101.CB, (T0307)M130.CB) [> 4.6813 = 7.8022 < 10.1429] w=0.0820 to align # Constraint # added constraint: constraint((T0307)A77.CB, (T0307)V87.CB) [> 3.6327 = 6.0545 < 7.8708] w=0.0817 to align # Constraint # added constraint: constraint((T0307)I21.CB, (T0307)L61.CB) [> 3.2545 = 5.4242 < 7.0514] w=0.0813 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)L61.CB) [> 3.9645 = 6.6076 < 8.5898] w=0.0813 to align # Constraint # added constraint: constraint((T0307)G92.CA, (T0307)L108.CB) [> 4.7785 = 7.9642 < 10.3534] w=0.0791 to align # Constraint # added constraint: constraint((T0307)S7.CB, (T0307)M48.CB) [> 3.6179 = 6.0298 < 7.8387] w=0.0781 to align # Constraint # added constraint: constraint((T0307)L8.CB, (T0307)V42.CB) [> 4.1284 = 6.8807 < 8.9449] w=0.0781 to align # Constraint # added constraint: constraint((T0307)L8.CB, (T0307)M43.CB) [> 3.2675 = 5.4458 < 7.0795] w=0.0781 to align # Constraint # added constraint: constraint((T0307)L8.CB, (T0307)M48.CB) [> 3.6707 = 6.1178 < 7.9531] w=0.0781 to align # Constraint # added constraint: constraint((T0307)L8.CB, (T0307)L60.CB) [> 4.5409 = 7.5681 < 9.8386] w=0.0781 to align # Constraint # added constraint: constraint((T0307)N9.CB, (T0307)I35.CB) [> 3.4911 = 5.8184 < 7.5640] w=0.0781 to align # Constraint # added constraint: constraint((T0307)S7.CB, (T0307)V42.CB) [> 3.3416 = 5.5694 < 7.2402] w=0.0781 to align # Constraint # added constraint: constraint((T0307)Q6.CB, (T0307)F50.CB) [> 3.6716 = 6.1194 < 7.9552] w=0.0781 to align # Constraint # added constraint: constraint((T0307)Q6.CB, (T0307)T44.CB) [> 4.4438 = 7.4064 < 9.6283] w=0.0781 to align # Constraint # added constraint: constraint((T0307)R5.CB, (T0307)F50.CB) [> 4.2123 = 7.0205 < 9.1266] w=0.0781 to align # Constraint # added constraint: constraint((T0307)R5.CB, (T0307)M48.CB) [> 4.4449 = 7.4082 < 9.6306] w=0.0781 to align # Constraint # added constraint: constraint((T0307)I10.CB, (T0307)L60.CB) [> 4.3225 = 7.2041 < 9.3654] w=0.0781 to align # Constraint # added constraint: constraint((T0307)I10.CB, (T0307)M43.CB) [> 4.1258 = 6.8762 < 8.9391] w=0.0781 to align # Constraint # added constraint: constraint((T0307)I10.CB, (T0307)V42.CB) [> 4.5396 = 7.5660 < 9.8358] w=0.0781 to align # Constraint # added constraint: constraint((T0307)I10.CB, (T0307)A41.CB) [> 2.7377 = 4.5629 < 5.9317] w=0.0781 to align # Constraint # added constraint: constraint((T0307)I10.CB, (T0307)I40.CB) [> 4.2057 = 7.0095 < 9.1123] w=0.0781 to align # Constraint # added constraint: constraint((T0307)F13.CB, (T0307)A74.CB) [> 3.9087 = 6.5145 < 8.4688] w=0.0781 to align # Constraint # added constraint: constraint((T0307)R45.CB, (T0307)G92.CA) [> 3.7801 = 6.3002 < 8.1902] w=0.0773 to align # Constraint # added constraint: constraint((T0307)Y90.CB, (T0307)C116.CB) [> 3.5164 = 5.8607 < 7.6189] w=0.0773 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)L115.CB) [> 4.6935 = 7.8224 < 10.1692] w=0.0773 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)C116.CB) [> 4.3667 = 7.2779 < 9.4613] w=0.0773 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)C116.CB) [> 3.5081 = 5.8468 < 7.6009] w=0.0773 to align # Constraint # added constraint: constraint((T0307)M24.CB, (T0307)I35.CB) [> 4.4889 = 7.4815 < 9.7259] w=0.0755 to align # Constraint # added constraint: constraint((T0307)A96.CB, (T0307)L108.CB) [> 3.6778 = 6.1296 < 7.9685] w=0.0751 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)I67.CB) [> 4.7716 = 7.9527 < 10.3385] w=0.0748 to align # Constraint # added constraint: constraint((T0307)E17.CB, (T0307)G92.CA) [> 4.7395 = 7.8992 < 10.2690] w=0.0703 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)A88.CB) [> 3.0376 = 5.0627 < 6.5814] w=0.0703 to align # Constraint # added constraint: constraint((T0307)A20.CB, (T0307)A88.CB) [> 3.9651 = 6.6085 < 8.5910] w=0.0703 to align # Constraint # added constraint: constraint((T0307)A20.CB, (T0307)L91.CB) [> 3.2564 = 5.4274 < 7.0556] w=0.0703 to align # Constraint # added constraint: constraint((T0307)M24.CB, (T0307)I94.CB) [> 4.3902 = 7.3170 < 9.5120] w=0.0703 to align # Constraint # added constraint: constraint((T0307)S27.CB, (T0307)S97.CB) [> 3.7950 = 6.3250 < 8.2226] w=0.0703 to align # Constraint # added constraint: constraint((T0307)F13.CB, (T0307)L59.CB) [> 4.2414 = 7.0690 < 9.1896] w=0.0654 to align # Constraint # added constraint: constraint((T0307)W109.CB, (T0307)V123.CB) [> 3.3608 = 5.6013 < 7.2818] w=0.0484 to align # Constraint # added constraint: constraint((T0307)P37.CB, (T0307)G92.CA) [> 3.9808 = 6.6346 < 8.6250] w=0.0423 to align # Constraint # added constraint: constraint((T0307)S7.CB, (T0307)A38.CB) [> 4.3239 = 7.2065 < 9.3685] w=0.0423 to align # Constraint # added constraint: constraint((T0307)L8.CB, (T0307)I35.CB) [> 3.3820 = 5.6367 < 7.3277] w=0.0423 to align # Constraint # added constraint: constraint((T0307)S14.CB, (T0307)K62.CB) [> 4.5876 = 7.6460 < 9.9398] w=0.0423 to align # Constraint # added constraint: constraint((T0307)L111.CB, (T0307)M124.CB) [> 3.9189 = 6.5316 < 8.4910] w=0.0420 to align # Constraint # added constraint: constraint((T0307)A74.CB, (T0307)C116.CB) [> 3.5634 = 5.9389 < 7.7206] w=0.0417 to align # Constraint # added constraint: constraint((T0307)L91.CB, (T0307)I112.CB) [> 3.3942 = 5.6571 < 7.3542] w=0.0417 to align # Constraint # added constraint: constraint((T0307)M28.CB, (T0307)A38.CB) [> 4.5960 = 7.6600 < 9.9580] w=0.0415 to align # Constraint # added constraint: constraint((T0307)A38.CB, (T0307)L53.CB) [> 4.6246 = 7.7077 < 10.0201] w=0.0415 to align # Constraint # added constraint: constraint((T0307)A20.CB, (T0307)V87.CB) [> 3.8123 = 6.3538 < 8.2600] w=0.0400 to align # Constraint # added constraint: constraint((T0307)I52.CB, (T0307)S97.CB) [> 4.4149 = 7.3582 < 9.5656] w=0.0400 to align # Constraint # added constraint: constraint((T0307)L53.CB, (T0307)D98.CB) [> 4.4776 = 7.4626 < 9.7014] w=0.0400 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)L115.CB) [> 4.6133 = 7.6888 < 9.9954] w=0.0400 to align # Constraint # added constraint: constraint((T0307)I94.CB, (T0307)L115.CB) [> 4.6332 = 7.7221 < 10.0387] w=0.0400 to align # Constraint # added constraint: constraint((T0307)A38.CB, (T0307)L59.CB) [> 3.4698 = 5.7829 < 7.5178] w=0.0400 to align # Constraint # added constraint: constraint((T0307)E46.CB, (T0307)A96.CB) [> 3.9476 = 6.5794 < 8.5532] w=0.0400 to align # Constraint # added constraint: constraint((T0307)V57.CB, (T0307)M130.CB) [> 3.8010 = 6.3349 < 8.2354] w=0.0400 to align # Constraint # added constraint: constraint((T0307)M43.CB, (T0307)V93.CB) [> 4.0262 = 6.7103 < 8.7234] w=0.0400 to align # Constraint # added constraint: constraint((T0307)M11.CB, (T0307)A74.CB) [> 4.1320 = 6.8867 < 8.9527] w=0.0391 to align # Constraint # added constraint: constraint((T0307)M11.CB, (T0307)A41.CB) [> 4.6757 = 7.7929 < 10.1308] w=0.0391 to align # Constraint # added constraint: constraint((T0307)M11.CB, (T0307)I40.CB) [> 4.2579 = 7.0965 < 9.2254] w=0.0391 to align # Constraint # added constraint: constraint((T0307)S14.CB, (T0307)A41.CB) [> 4.3344 = 7.2241 < 9.3913] w=0.0391 to align # Constraint # added constraint: constraint((T0307)K62.CB, (T0307)V93.CB) [> 4.3035 = 7.1725 < 9.3242] w=0.0391 to align # Constraint # added constraint: constraint((T0307)L18.CB, (T0307)A74.CB) [> 2.9094 = 4.8490 < 6.3038] w=0.0379 to align # Constraint # added constraint: constraint((T0307)W109.CB, (T0307)I127.CB) [> 3.0681 = 5.1136 < 6.6476] w=0.0374 to align # Constraint # added constraint: constraint((T0307)F50.CB, (T0307)T120.CB) [> 4.5202 = 7.5337 < 9.7938] w=0.0357 to align # Constraint # added constraint: constraint((T0307)V93.CB, (T0307)S113.CB) [> 3.4607 = 5.7679 < 7.4983] w=0.0351 to align # Constraint # added constraint: constraint((T0307)I35.CB, (T0307)A74.CB) [> 3.9662 = 6.6102 < 8.5933] w=0.0327 to align # Constraint # added constraint: constraint((T0307)Y86.CB, (T0307)A126.CB) [> 4.5882 = 7.6470 < 9.9411] w=0.0327 to align # Constraint # added constraint: constraint((T0307)M30.CB, (T0307)G92.CA) [> 4.3677 = 7.2795 < 9.4634] w=0.0098 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)S70.CB) [> 4.4281 = 7.3801 < 9.5942] w=0.0098 to align # Constraint # added constraint: constraint((T0307)V29.CB, (T0307)A74.CB) [> 3.6731 = 6.1218 < 7.9584] w=0.0098 to align # Constraint # added constraint: constraint((T0307)C116.CB, (T0307)E125.CB) [> 3.9659 = 6.6098 < 8.5927] w=0.0098 to align # Constraint # added constraint: constraint((T0307)M79.CB, (T0307)M130.CB) [> 3.9771 = 6.6285 < 8.6170] w=0.0093 to align # Constraint # added constraint: constraint((T0307)I52.CB, (T0307)I94.CB) [> 4.1192 = 6.8653 < 8.9249] w=0.0047 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0307/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0307/decoys/ # ReadConformPDB reading from PDB file edit2.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit9.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # 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 85 # 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 40 # 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 87 # 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 82 # 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 87 # 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 82 # 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 129 # 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 86 # 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 113 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # 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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # 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 122 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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: atoms too close: (T0307)V93.C and (T0307)I94.N only 0 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CA only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CA only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CB only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CB only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CB only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CG1 only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CG1 only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CG1 only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CG1 only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.CG2 only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CG2 only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CG2 only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CG2 only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CG2 only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.CD1 only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.O only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)I94.C only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.N only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.N only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.N only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.N only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.N only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.N only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.N only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.N only 0 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.N only 0 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CA only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CB only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CG only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.SD only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.CE only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.O only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)M95.C only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.N only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.N only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.N only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.N only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.N only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.N only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.N only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.N only 0 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.N only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.N only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.N only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.N only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.N only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.N only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.N only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.N only 0 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.N only 0 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.CA only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.CB only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.O only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)A96.C only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.N only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.N only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.N only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.N only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.N only 0 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.N only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.N only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.N only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.N only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.N only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.N only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.N only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.N only 0 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.N only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.N only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.N only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.N only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.N only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.N only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.N only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.N only 0 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.N only 0 apart, marking (T0307)S97.N as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.CA only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.CB only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.OG only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.O only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.O and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.N and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)S97.C only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.N only 0 apart, marking (T0307)S97.C as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.N only 0 apart, marking (T0307)S97.O as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.N only 0 apart, marking (T0307)S97.OG as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.N only 0 apart, marking (T0307)S97.CB as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.N only 0 apart, marking (T0307)S97.CA as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.N only 0 apart, marking (T0307)S97.N as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.N only 0 apart, marking (T0307)A96.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.N only 0 apart, marking (T0307)A96.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.N only 0 apart, marking (T0307)A96.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.N only 0 apart, marking (T0307)A96.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.N only 0 apart, marking (T0307)A96.N as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.N only 0 apart, marking (T0307)M95.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.N only 0 apart, marking (T0307)M95.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.N only 0 apart, marking (T0307)M95.CE as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.N only 0 apart, marking (T0307)M95.SD as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.N only 0 apart, marking (T0307)M95.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.N only 0 apart, marking (T0307)M95.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.N only 0 apart, marking (T0307)M95.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.N only 0 apart, marking (T0307)M95.N as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.N only 0 apart, marking (T0307)I94.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.N only 0 apart, marking (T0307)I94.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.N only 0 apart, marking (T0307)I94.CD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.N only 0 apart, marking (T0307)I94.CG2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.N only 0 apart, marking (T0307)I94.CG1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.N only 0 apart, marking (T0307)I94.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.N only 0 apart, marking (T0307)I94.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.N only 0 apart, marking (T0307)I94.N as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.N only 0 apart, marking (T0307)D98.N as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CA only 0 apart, marking (T0307)D98.CA as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CB only 0 apart, marking (T0307)D98.CB as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.CG only 0 apart, marking (T0307)D98.CG as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.OD1 only 0 apart, marking (T0307)D98.OD1 as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.OD2 only 0 apart, marking (T0307)D98.OD2 as missing WARNING: atoms too close: (T0307)D98.OD2 and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.O only 0 apart, marking (T0307)D98.O as missing WARNING: atoms too close: (T0307)D98.O and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.OD2 and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.OD1 and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CG and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CB and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.CA and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)D98.N and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.C and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.O and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.OG and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.CB and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.CA and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)S97.N and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.C and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.O and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.CB and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.CA and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)A96.N and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.C and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.O and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CE and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.SD and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CG and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CB and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.CA and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)M95.N and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.C and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.O and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CD1 and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CG2 and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CG1 and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CB and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.CA and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)I94.N and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing WARNING: atoms too close: (T0307)V93.C and (T0307)D98.C only 0 apart, marking (T0307)D98.C as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 122 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # 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 122 # 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 130 # 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 65 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 258, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 66 # 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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 175, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 273, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 # 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 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 89 # 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 117 # 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 108 # 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 90 # 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 131 # 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 132 # 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 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 128 # 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 128 # 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 89 # 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 126 # 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 60 # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 T0307 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 12 # 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 12 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # 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 107 # 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 115 # 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 115 # 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 61 # 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 36 # 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 36 # 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 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 12 # 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 12 # 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 12 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 Skipped atom 13, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 39, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 41, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 127, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # 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 T0307 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 T0307 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 T0307 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 T0307 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 # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 49 # 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 86 # 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 84 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 52 # 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 92 # 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 66 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # 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 T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # 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 119 # 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 108 # 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 132 # 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 119 # 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 131 # 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 T0307 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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # 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 45 # 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 118 # 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 119 # 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 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0307)S7.O and (T0307)L8.N only 0.000 apart, marking (T0307)L8.N as missing # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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 T0307 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 T0307 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 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 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 T0307 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 T0307 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: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 252 model score 2.0121 model score 2.1526 model score 2.0366 model score 2.1157 model score 2.1157 model score 2.1157 model score 2.1157 model score 2.1157 model score 2.1157 model score 2.1157 model score 0.6674 model score 1.6163 model score 1.3229 model score 1.3038 model score 1.1429 model score 1.3038 model score 1.1429 model score 1.0523 model score 1.2643 model score 0.9539 model score 0.7503 model score 1.5880 model score 1.9910 model score 1.6360 model score 1.5088 model score 1.5789 model score 1.2790 model score 1.2796 model score 0.2956 model score 1.5825 model score 1.7620 model score 0.8205 model score 2.4182 model score 0.8162 model score 0.8206 model score 1.8003 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2790 model score 1.9914 model score 1.8720 model score 1.8057 model score 1.5217 model score 0.5040 model score 1.2790 model score 1.2790 model score 1.2796 model score 1.5825 model score 1.7648 model score 1.4221 model score 1.7024 model score 1.6706 model score 1.5985 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 1.7267 model score 2.0355 model score 2.0478 model score 1.9258 model score 1.9146 model score 1.6500 model score 0.7038 model score 2.0084 model score 1.8180 model score 2.3138 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.8586 model score 1.9876 model score 1.1455 model score 1.7935 model score 1.8025 model score 0.7167 model score 0.6040 model score 0.5339 model score 0.8645 model score 0.8752 model score 2.0752 model score 2.0752 model score 0.7317 model score 1.3646 model score 1.7434 model score 1.4593 model score 1.4868 model score 1.1662 model score 1.6176 model score 0.9015 model score 1.7688 model score 1.7303 model score 1.6394 model score 1.6579 model score 1.8522 model score 1.8449 model score 1.7764 model score 1.6513 model score 0.2888 model score 0.4103 model score 0.4732 model score 0.3188 model score 1.6176 model score 1.6390 model score 1.6390 model score 1.3613 model score 1.0019 model score 1.4578 model score 0.5980 model score 0.5848 model score 1.5245 model score 1.4044 model score 1.6378 model score 1.4198 model score 0.5985 model score 0.6046 model score 0.7260 model score 0.6441 model score 1.9725 model score 1.9358 model score 1.9759 model score 2.0236 model score 2.0210 model score 1.7258 model score 2.1637 model score 2.2024 model score 2.1161 model score 1.6526 model score 1.7540 model score 1.8950 model score 1.6767 model score 1.9966 model score 2.0073 model score 1.9994 model score 1.3340 model score 1.2724 model score 1.1460 model score 1.9144 model score 1.7867 model score 1.8876 model score 1.2567 model score 1.9290 model score 1.3555 model score 2.1791 model score 1.8045 model score 1.1388 model score 1.8723 model score 1.0535 model score 1.3299 model score 1.6767 model score 1.6921 model score 1.8950 model score 1.6323 model score 1.2610 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 1.2771 model score 1.2771 model score 1.4927 model score 1.8325 model score 0.9861 model score 0.8039 model score 1.1637 model score 0.6545 model score 1.3340 model score 1.4093 model score 0.4089 model score 0.8486 model score 1.4093 model score 0.6473 model score 0.4612 model score 1.0464 model score 1.8367 model score 1.9190 model score 0.3894 model score 0.3034 model score 2.0471 model score 1.7515 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.5238 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.0997 model score 1.3926 model score 1.2104 model score 0.2665 model score 1.3160 model score 0.6139 model score 0.7053 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 0.5676 model score 0.5153 model score 1.4783 model score 1.6032 model score 1.7721 model score 1.6167 model score 1.8308 model score 1.6705 model score 1.1813 model score 1.7333 model score 1.5604 model score 1.4801 model score 1.5851 model score 1.4829 model score 1.5592 model score 1.6095 model score 2.1826 model score 0.5356 model score 2.1419 model score 1.5207 model score 1.9294 model score 1.7802 model score 1.9527 model score 1.4864 model score 1.4334 model score 1.1382 model score 0.8707 weight: 0.2576 eval: 2.0121 min: 0.0997 max: 2.4182 weight: 0.2031 eval: 2.1526 min: 0.0997 max: 2.4182 weight: 0.2481 eval: 2.0366 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.2174 eval: 2.1157 min: 0.0997 max: 2.4182 weight: 0.7796 eval: 0.6674 min: 0.0997 max: 2.4182 weight: 0.4113 eval: 1.6163 min: 0.0997 max: 2.4182 weight: 0.5252 eval: 1.3229 min: 0.0997 max: 2.4182 weight: 0.5326 eval: 1.3038 min: 0.0997 max: 2.4182 weight: 0.5950 eval: 1.1429 min: 0.0997 max: 2.4182 weight: 0.5326 eval: 1.3038 min: 0.0997 max: 2.4182 weight: 0.5950 eval: 1.1429 min: 0.0997 max: 2.4182 weight: 0.6302 eval: 1.0523 min: 0.0997 max: 2.4182 weight: 0.5479 eval: 1.2643 min: 0.0997 max: 2.4182 weight: 0.6684 eval: 0.9539 min: 0.0997 max: 2.4182 weight: 0.7475 eval: 0.7503 min: 0.0997 max: 2.4182 weight: 0.4222 eval: 1.5880 min: 0.0997 max: 2.4182 weight: 0.2658 eval: 1.9910 min: 0.0997 max: 2.4182 weight: 0.4036 eval: 1.6360 min: 0.0997 max: 2.4182 weight: 0.4530 eval: 1.5088 min: 0.0997 max: 2.4182 weight: 0.4258 eval: 1.5789 min: 0.0997 max: 2.4182 weight: 0.5422 eval: 1.2790 min: 0.0997 max: 2.4182 weight: 0.5420 eval: 1.2796 min: 0.0997 max: 2.4182 weight: 0.9239 eval: 0.2956 min: 0.0997 max: 2.4182 weight: 0.4244 eval: 1.5825 min: 0.0997 max: 2.4182 weight: 0.3547 eval: 1.7620 min: 0.0997 max: 2.4182 weight: 0.7202 eval: 0.8205 min: 0.0997 max: 2.4182 weight: 0.1000 eval: 2.4182 min: 0.0997 max: 2.4182 weight: 0.7219 eval: 0.8162 min: 0.0997 max: 2.4182 weight: 0.7202 eval: 0.8206 min: 0.0997 max: 2.4182 weight: 0.3399 eval: 1.8003 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5422 eval: 1.2790 min: 0.0997 max: 2.4182 weight: 0.2657 eval: 1.9914 min: 0.0997 max: 2.4182 weight: 0.3120 eval: 1.8720 min: 0.0997 max: 2.4182 weight: 0.3377 eval: 1.8057 min: 0.0997 max: 2.4182 weight: 0.4480 eval: 1.5217 min: 0.0997 max: 2.4182 weight: 0.8430 eval: 0.5040 min: 0.0997 max: 2.4182 weight: 0.5422 eval: 1.2790 min: 0.0997 max: 2.4182 weight: 0.5422 eval: 1.2790 min: 0.0997 max: 2.4182 weight: 0.5420 eval: 1.2796 min: 0.0997 max: 2.4182 weight: 0.4244 eval: 1.5825 min: 0.0997 max: 2.4182 weight: 0.3536 eval: 1.7648 min: 0.0997 max: 2.4182 weight: 0.4867 eval: 1.4221 min: 0.0997 max: 2.4182 weight: 0.3778 eval: 1.7024 min: 0.0997 max: 2.4182 weight: 0.3902 eval: 1.6706 min: 0.0997 max: 2.4182 weight: 0.4182 eval: 1.5985 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.3684 eval: 1.7267 min: 0.0997 max: 2.4182 weight: 0.2486 eval: 2.0355 min: 0.0997 max: 2.4182 weight: 0.2438 eval: 2.0478 min: 0.0997 max: 2.4182 weight: 0.2911 eval: 1.9258 min: 0.0997 max: 2.4182 weight: 0.2955 eval: 1.9146 min: 0.0997 max: 2.4182 weight: 0.3982 eval: 1.6500 min: 0.0997 max: 2.4182 weight: 0.7655 eval: 0.7038 min: 0.0997 max: 2.4182 weight: 0.2591 eval: 2.0084 min: 0.0997 max: 2.4182 weight: 0.3330 eval: 1.8180 min: 0.0997 max: 2.4182 weight: 0.1405 eval: 2.3138 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.3172 eval: 1.8586 min: 0.0997 max: 2.4182 weight: 0.2671 eval: 1.9876 min: 0.0997 max: 2.4182 weight: 0.5940 eval: 1.1455 min: 0.0997 max: 2.4182 weight: 0.3425 eval: 1.7935 min: 0.0997 max: 2.4182 weight: 0.3390 eval: 1.8025 min: 0.0997 max: 2.4182 weight: 0.7605 eval: 0.7167 min: 0.0997 max: 2.4182 weight: 0.8042 eval: 0.6040 min: 0.0997 max: 2.4182 weight: 0.8314 eval: 0.5339 min: 0.0997 max: 2.4182 weight: 0.7031 eval: 0.8645 min: 0.0997 max: 2.4182 weight: 0.6989 eval: 0.8752 min: 0.0997 max: 2.4182 weight: 0.2331 eval: 2.0752 min: 0.0997 max: 2.4182 weight: 0.2331 eval: 2.0752 min: 0.0997 max: 2.4182 weight: 0.7547 eval: 0.7317 min: 0.0997 max: 2.4182 weight: 0.5090 eval: 1.3646 min: 0.0997 max: 2.4182 weight: 0.3619 eval: 1.7434 min: 0.0997 max: 2.4182 weight: 0.4722 eval: 1.4593 min: 0.0997 max: 2.4182 weight: 0.4615 eval: 1.4868 min: 0.0997 max: 2.4182 weight: 0.5860 eval: 1.1662 min: 0.0997 max: 2.4182 weight: 0.4108 eval: 1.6176 min: 0.0997 max: 2.4182 weight: 0.6887 eval: 0.9015 min: 0.0997 max: 2.4182 weight: 0.3521 eval: 1.7688 min: 0.0997 max: 2.4182 weight: 0.3670 eval: 1.7303 min: 0.0997 max: 2.4182 weight: 0.4023 eval: 1.6394 min: 0.0997 max: 2.4182 weight: 0.3951 eval: 1.6579 min: 0.0997 max: 2.4182 weight: 0.3197 eval: 1.8522 min: 0.0997 max: 2.4182 weight: 0.3225 eval: 1.8449 min: 0.0997 max: 2.4182 weight: 0.3491 eval: 1.7764 min: 0.0997 max: 2.4182 weight: 0.3977 eval: 1.6513 min: 0.0997 max: 2.4182 weight: 0.9266 eval: 0.2888 min: 0.0997 max: 2.4182 weight: 0.8794 eval: 0.4103 min: 0.0997 max: 2.4182 weight: 0.8550 eval: 0.4732 min: 0.0997 max: 2.4182 weight: 0.9149 eval: 0.3188 min: 0.0997 max: 2.4182 weight: 0.4108 eval: 1.6176 min: 0.0997 max: 2.4182 weight: 0.4025 eval: 1.6390 min: 0.0997 max: 2.4182 weight: 0.4025 eval: 1.6390 min: 0.0997 max: 2.4182 weight: 0.5102 eval: 1.3613 min: 0.0997 max: 2.4182 weight: 0.6498 eval: 1.0019 min: 0.0997 max: 2.4182 weight: 0.4728 eval: 1.4578 min: 0.0997 max: 2.4182 weight: 0.8065 eval: 0.5980 min: 0.0997 max: 2.4182 weight: 0.8117 eval: 0.5848 min: 0.0997 max: 2.4182 weight: 0.4469 eval: 1.5245 min: 0.0997 max: 2.4182 weight: 0.4935 eval: 1.4044 min: 0.0997 max: 2.4182 weight: 0.4029 eval: 1.6378 min: 0.0997 max: 2.4182 weight: 0.4876 eval: 1.4198 min: 0.0997 max: 2.4182 weight: 0.8064 eval: 0.5985 min: 0.0997 max: 2.4182 weight: 0.8040 eval: 0.6046 min: 0.0997 max: 2.4182 weight: 0.7569 eval: 0.7260 min: 0.0997 max: 2.4182 weight: 0.7887 eval: 0.6441 min: 0.0997 max: 2.4182 weight: 0.2730 eval: 1.9725 min: 0.0997 max: 2.4182 weight: 0.2872 eval: 1.9358 min: 0.0997 max: 2.4182 weight: 0.2717 eval: 1.9759 min: 0.0997 max: 2.4182 weight: 0.2532 eval: 2.0236 min: 0.0997 max: 2.4182 weight: 0.2542 eval: 2.0210 min: 0.0997 max: 2.4182 weight: 0.3688 eval: 1.7258 min: 0.0997 max: 2.4182 weight: 0.1988 eval: 2.1637 min: 0.0997 max: 2.4182 weight: 0.1838 eval: 2.2024 min: 0.0997 max: 2.4182 weight: 0.2173 eval: 2.1161 min: 0.0997 max: 2.4182 weight: 0.3972 eval: 1.6526 min: 0.0997 max: 2.4182 weight: 0.3578 eval: 1.7540 min: 0.0997 max: 2.4182 weight: 0.3031 eval: 1.8950 min: 0.0997 max: 2.4182 weight: 0.3878 eval: 1.6767 min: 0.0997 max: 2.4182 weight: 0.2636 eval: 1.9966 min: 0.0997 max: 2.4182 weight: 0.2595 eval: 2.0073 min: 0.0997 max: 2.4182 weight: 0.2626 eval: 1.9994 min: 0.0997 max: 2.4182 weight: 0.5208 eval: 1.3340 min: 0.0997 max: 2.4182 weight: 0.5448 eval: 1.2724 min: 0.0997 max: 2.4182 weight: 0.5938 eval: 1.1460 min: 0.0997 max: 2.4182 weight: 0.2955 eval: 1.9144 min: 0.0997 max: 2.4182 weight: 0.3451 eval: 1.7867 min: 0.0997 max: 2.4182 weight: 0.3059 eval: 1.8876 min: 0.0997 max: 2.4182 weight: 0.5508 eval: 1.2567 min: 0.0997 max: 2.4182 weight: 0.2899 eval: 1.9290 min: 0.0997 max: 2.4182 weight: 0.5125 eval: 1.3555 min: 0.0997 max: 2.4182 weight: 0.1928 eval: 2.1791 min: 0.0997 max: 2.4182 weight: 0.3382 eval: 1.8045 min: 0.0997 max: 2.4182 weight: 0.5966 eval: 1.1388 min: 0.0997 max: 2.4182 weight: 0.3119 eval: 1.8723 min: 0.0997 max: 2.4182 weight: 0.6297 eval: 1.0535 min: 0.0997 max: 2.4182 weight: 0.5225 eval: 1.3299 min: 0.0997 max: 2.4182 weight: 0.3878 eval: 1.6767 min: 0.0997 max: 2.4182 weight: 0.3818 eval: 1.6921 min: 0.0997 max: 2.4182 weight: 0.3031 eval: 1.8950 min: 0.0997 max: 2.4182 weight: 0.4051 eval: 1.6323 min: 0.0997 max: 2.4182 weight: 0.5492 eval: 1.2610 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.4592 eval: 1.4927 min: 0.0997 max: 2.4182 weight: 0.3274 eval: 1.8325 min: 0.0997 max: 2.4182 weight: 0.6559 eval: 0.9861 min: 0.0997 max: 2.4182 weight: 0.7266 eval: 0.8039 min: 0.0997 max: 2.4182 weight: 0.5869 eval: 1.1637 min: 0.0997 max: 2.4182 weight: 0.7846 eval: 0.6545 min: 0.0997 max: 2.4182 weight: 0.5208 eval: 1.3340 min: 0.0997 max: 2.4182 weight: 0.4916 eval: 1.4093 min: 0.0997 max: 2.4182 weight: 0.8799 eval: 0.4089 min: 0.0997 max: 2.4182 weight: 0.7093 eval: 0.8486 min: 0.0997 max: 2.4182 weight: 0.4916 eval: 1.4093 min: 0.0997 max: 2.4182 weight: 0.7874 eval: 0.6473 min: 0.0997 max: 2.4182 weight: 0.8596 eval: 0.4612 min: 0.0997 max: 2.4182 weight: 0.6325 eval: 1.0464 min: 0.0997 max: 2.4182 weight: 0.3257 eval: 1.8367 min: 0.0997 max: 2.4182 weight: 0.2938 eval: 1.9190 min: 0.0997 max: 2.4182 weight: 0.8875 eval: 0.3894 min: 0.0997 max: 2.4182 weight: 0.9209 eval: 0.3034 min: 0.0997 max: 2.4182 weight: 0.2440 eval: 2.0471 min: 0.0997 max: 2.4182 weight: 0.3588 eval: 1.7515 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.4472 eval: 1.5238 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 1.0000 eval: 0.0997 min: 0.0997 max: 2.4182 weight: 0.4981 eval: 1.3926 min: 0.0997 max: 2.4182 weight: 0.5688 eval: 1.2104 min: 0.0997 max: 2.4182 weight: 0.9352 eval: 0.2665 min: 0.0997 max: 2.4182 weight: 0.5279 eval: 1.3160 min: 0.0997 max: 2.4182 weight: 0.8004 eval: 0.6139 min: 0.0997 max: 2.4182 weight: 0.7649 eval: 0.7053 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.5430 eval: 1.2771 min: 0.0997 max: 2.4182 weight: 0.8184 eval: 0.5676 min: 0.0997 max: 2.4182 weight: 0.8387 eval: 0.5153 min: 0.0997 max: 2.4182 weight: 0.4649 eval: 1.4783 min: 0.0997 max: 2.4182 weight: 0.4164 eval: 1.6032 min: 0.0997 max: 2.4182 weight: 0.3508 eval: 1.7721 min: 0.0997 max: 2.4182 weight: 0.4111 eval: 1.6167 min: 0.0997 max: 2.4182 weight: 0.3280 eval: 1.8308 min: 0.0997 max: 2.4182 weight: 0.3902 eval: 1.6705 min: 0.0997 max: 2.4182 weight: 0.5801 eval: 1.1813 min: 0.0997 max: 2.4182 weight: 0.3659 eval: 1.7333 min: 0.0997 max: 2.4182 weight: 0.4330 eval: 1.5604 min: 0.0997 max: 2.4182 weight: 0.4641 eval: 1.4801 min: 0.0997 max: 2.4182 weight: 0.4234 eval: 1.5851 min: 0.0997 max: 2.4182 weight: 0.4630 eval: 1.4829 min: 0.0997 max: 2.4182 weight: 0.4335 eval: 1.5592 min: 0.0997 max: 2.4182 weight: 0.4139 eval: 1.6095 min: 0.0997 max: 2.4182 weight: 0.1915 eval: 2.1826 min: 0.0997 max: 2.4182 weight: 0.8308 eval: 0.5356 min: 0.0997 max: 2.4182 weight: 0.2073 eval: 2.1419 min: 0.0997 max: 2.4182 weight: 0.4484 eval: 1.5207 min: 0.0997 max: 2.4182 weight: 0.2897 eval: 1.9294 min: 0.0997 max: 2.4182 weight: 0.3477 eval: 1.7802 min: 0.0997 max: 2.4182 weight: 0.2807 eval: 1.9527 min: 0.0997 max: 2.4182 weight: 0.4617 eval: 1.4864 min: 0.0997 max: 2.4182 weight: 0.4823 eval: 1.4334 min: 0.0997 max: 2.4182 weight: 0.5969 eval: 1.1382 min: 0.0997 max: 2.4182 weight: 0.7007 eval: 0.8707 min: 0.0997 max: 2.4182 Adding 6182 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: -248.2764, CN propb: -248.2764 weights: 0.2687 constraints: 228 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 228 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 228 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 5954 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 5954 # 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 6182 # command: