# 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/T0338/ # command:# Making conformation for sequence T0338 numbered 1 through 256 Created new target T0338 from T0338.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0338/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0338//projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0338/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0338/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((T0338)M59.CB, (T0338)I76.CB) [> 3.8217 = 6.3695 < 8.2803] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)L137.CB) [> 4.0113 = 6.6854 < 8.6911] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)M133.CB) [> 3.9873 = 6.6455 < 8.6391] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)A84.CB) [> 3.7737 = 6.2895 < 8.1764] w=1.0000 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)A80.CB) [> 2.5013 = 4.1688 < 5.4194] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)A84.CB) [> 2.4244 = 4.0406 < 5.2528] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)L81.CB) [> 2.7422 = 4.5703 < 5.9414] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)A80.CB) [> 2.6847 = 4.4746 < 5.8169] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)A84.CB) [> 2.4189 = 4.0315 < 5.2410] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)A85.CB) [> 3.2303 = 5.3838 < 6.9989] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)A84.CB) [> 2.8117 = 4.6862 < 6.0921] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)L81.CB) [> 4.3511 = 7.2518 < 9.4273] w=1.0000 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)A85.CB) [> 4.1004 = 6.8340 < 8.8842] w=1.0000 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)L81.CB) [> 4.2983 = 7.1638 < 9.3130] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)L81.CB) [> 3.6761 = 6.1268 < 7.9649] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)L81.CB) [> 3.6789 = 6.1315 < 7.9710] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)S77.CB) [> 3.1721 = 5.2869 < 6.8729] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)I56.CB) [> 4.0138 = 6.6896 < 8.6965] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)A55.CB) [> 3.4623 = 5.7704 < 7.5016] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)S77.CB) [> 3.9111 = 6.5185 < 8.4741] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)N74.CB) [> 4.2054 = 7.0091 < 9.1118] w=1.0000 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)I189.CB) [> 3.6028 = 6.0047 < 7.8060] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)C193.CB) [> 2.6662 = 4.4436 < 5.7767] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)L134.CB) [> 4.0681 = 6.7802 < 8.8142] w=1.0000 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)M133.CB) [> 3.7696 = 6.2827 < 8.1675] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)E130.CB) [> 3.6496 = 6.0826 < 7.9074] w=1.0000 to align # Constraint # added constraint: constraint((T0338)A80.CB, (T0338)M133.CB) [> 3.9072 = 6.5119 < 8.4655] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)M133.CB) [> 3.1685 = 5.2807 < 6.8650] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)E130.CB) [> 2.8537 = 4.7562 < 6.1830] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L129.CB) [> 2.4902 = 4.1504 < 5.3955] w=1.0000 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L126.CB) [> 3.2884 = 5.4806 < 7.1248] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I76.CB, (T0338)M133.CB) [> 4.1417 = 6.9029 < 8.9738] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I76.CB, (T0338)L129.CB) [> 3.6452 = 6.0753 < 7.8979] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L129.CB) [> 3.1470 = 5.2450 < 6.8185] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L126.CB) [> 3.9976 = 6.6627 < 8.6615] w=1.0000 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)E125.CB) [> 3.3510 = 5.5851 < 7.2606] w=1.0000 to align # Constraint # added constraint: constraint((T0338)H65.CB, (T0338)T136.CB) [> 3.5473 = 5.9123 < 7.6859] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)T136.CB) [> 3.4860 = 5.8099 < 7.5529] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)M133.CB) [> 3.3103 = 5.5172 < 7.1723] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)A80.CB) [> 4.1584 = 6.9307 < 9.0099] w=1.0000 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)I76.CB) [> 3.6553 = 6.0922 < 7.9198] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M59.CB, (T0338)A80.CB) [> 2.7543 = 4.5904 < 5.9676] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M59.CB, (T0338)S77.CB) [> 3.4258 = 5.7097 < 7.4226] w=1.0000 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)L196.CB) [> 3.5753 = 5.9588 < 7.7465] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)I189.CB) [> 3.7703 = 6.2838 < 8.1689] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)A190.CB) [> 3.8827 = 6.4712 < 8.4126] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A171.CB, (T0338)C193.CB) [> 2.6773 = 4.4621 < 5.8007] w=0.9732 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)C193.CB) [> 4.1466 = 6.9110 < 8.9844] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)M59.CB) [> 4.1310 = 6.8850 < 8.9505] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)K73.CB) [> 3.0633 = 5.1055 < 6.6371] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)S77.CB) [> 2.9638 = 4.9397 < 6.4216] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)I56.CB) [> 3.4941 = 5.8236 < 7.5706] w=0.9732 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)M59.CB) [> 4.3919 = 7.3198 < 9.5157] w=0.9651 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)T187.CB) [> 3.1286 = 5.2143 < 6.7785] w=0.9630 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)P186.CB) [> 3.6806 = 6.1344 < 7.9747] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)A190.CB) [> 2.7805 = 4.6342 < 6.0245] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)I189.CB) [> 2.9170 = 4.8616 < 6.3201] w=0.9630 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)P186.CB) [> 2.8792 = 4.7987 < 6.2383] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)E130.CB) [> 3.6777 = 6.1295 < 7.9683] w=0.9630 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L126.CB) [> 3.7545 = 6.2574 < 8.1347] w=0.9630 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)L137.CB) [> 4.0570 = 6.7617 < 8.7903] w=0.9630 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)L137.CB) [> 3.6332 = 6.0553 < 7.8719] w=0.9630 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)L83.CB) [> 4.5530 = 7.5883 < 9.8648] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)E88.CB) [> 3.5747 = 5.9578 < 7.7451] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)V87.CB) [> 3.8884 = 6.4807 < 8.4249] w=0.9630 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)A84.CB) [> 4.5375 = 7.5625 < 9.8313] w=0.9630 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)E88.CB) [> 2.9059 = 4.8432 < 6.2962] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)E88.CB) [> 3.1815 = 5.3026 < 6.8933] w=0.9630 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)T231.CB) [> 3.8100 = 6.3500 < 8.2550] w=0.9630 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)T231.CB) [> 3.5540 = 5.9233 < 7.7003] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)F234.CB) [> 2.9811 = 4.9685 < 6.4591] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)T231.CB) [> 2.6217 = 4.3696 < 5.6804] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L230.CB) [> 2.6810 = 4.4683 < 5.8088] w=0.9630 to align # Constraint # added constraint: constraint((T0338)I189.CB, (T0338)F234.CB) [> 4.2938 = 7.1563 < 9.3032] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L230.CB) [> 3.0111 = 5.0186 < 6.5241] w=0.9630 to align # Constraint # added constraint: constraint((T0338)Y184.CB, (T0338)L230.CB) [> 3.3302 = 5.5504 < 7.2154] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)I194.CB) [> 3.2622 = 5.4371 < 7.0682] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)C191.CB) [> 4.0343 = 6.7239 < 8.7410] w=0.9630 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)A190.CB) [> 3.7114 = 6.1857 < 8.0414] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)I194.CB) [> 3.9817 = 6.6362 < 8.6271] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)A190.CB) [> 3.0652 = 5.1086 < 6.6412] w=0.9630 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)S167.CB) [> 3.4711 = 5.7852 < 7.5207] w=0.9630 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)A190.CB) [> 2.4275 = 4.0458 < 5.2596] w=0.9630 to align # Constraint # added constraint: constraint((T0338)H145.CB, (T0338)P186.CB) [> 3.6649 = 6.1081 < 7.9405] w=0.9550 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)A171.CB) [> 2.8454 = 4.7423 < 6.1649] w=0.9362 to align # Constraint # added constraint: constraint((T0338)E144.CB, (T0338)P186.CB) [> 3.2163 = 5.3605 < 6.9687] w=0.9281 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)A80.CB) [> 4.5969 = 7.6615 < 9.9600] w=0.9220 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)I52.CB) [> 3.8370 = 6.3951 < 8.3136] w=0.9194 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)I52.CB) [> 3.7020 = 6.1699 < 8.0209] w=0.9194 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)A197.CB) [> 3.6328 = 6.0547 < 7.8711] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)A197.CB) [> 2.5030 = 4.1717 < 5.4232] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)I194.CB) [> 2.9583 = 4.9305 < 6.4096] w=0.9194 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)C193.CB) [> 2.7486 = 4.5810 < 5.9553] w=0.9194 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)A197.CB) [> 2.5124 = 4.1874 < 5.4436] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)A197.CB) [> 3.2894 = 5.4824 < 7.1271] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)I194.CB) [> 4.4669 = 7.4448 < 9.6783] w=0.9194 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)I141.CB) [> 3.9237 = 6.5396 < 8.5014] w=0.9013 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)I141.CB) [> 3.3747 = 5.6246 < 7.3119] w=0.9013 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)N74.CB) [> 4.0608 = 6.7680 < 8.7985] w=0.8845 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)I194.CB) [> 4.2262 = 7.0437 < 9.1568] w=0.8825 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)L227.CB) [> 3.4578 = 5.7630 < 7.4919] w=0.8825 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L227.CB) [> 4.0637 = 6.7728 < 8.8047] w=0.8825 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)C193.CB) [> 4.2020 = 7.0033 < 9.1042] w=0.8744 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)A171.CB) [> 4.0571 = 6.7619 < 8.7905] w=0.8556 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)A80.CB) [> 4.4479 = 7.4132 < 9.6372] w=0.8389 to align # Constraint # added constraint: constraint((T0338)A55.CB, (T0338)S77.CB) [> 4.2996 = 7.1659 < 9.3157] w=0.8389 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)C193.CB) [> 4.1554 = 6.9257 < 9.0035] w=0.8096 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)V222.CB) [> 3.8888 = 6.4813 < 8.4256] w=0.8029 to align # Constraint # added constraint: constraint((T0338)I189.CB, (T0338)L230.CB) [> 3.5942 = 5.9903 < 7.7875] w=0.8019 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)A164.CB) [> 3.3063 = 5.5105 < 7.1636] w=0.8019 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)E88.CB) [> 3.8055 = 6.3425 < 8.2452] w=0.8006 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)A190.CB) [> 4.5847 = 7.6412 < 9.9335] w=0.7964 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)I237.CB) [> 3.7390 = 6.2316 < 8.1011] w=0.7843 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)L238.CB) [> 3.7900 = 6.3166 < 8.2116] w=0.7763 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)L175.CB) [> 4.4037 = 7.3396 < 9.5414] w=0.7751 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)A171.CB) [> 3.7674 = 6.2791 < 8.1628] w=0.7751 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)F234.CB) [> 3.9444 = 6.5741 < 8.5463] w=0.7751 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)S201.CB) [> 3.8095 = 6.3492 < 8.2539] w=0.7598 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)W200.CB) [> 3.9184 = 6.5307 < 8.4899] w=0.7598 to align # Constraint # added constraint: constraint((T0338)Y168.CB, (T0338)C193.CB) [> 4.5476 = 7.5794 < 9.8532] w=0.7593 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)L196.CB) [> 4.5078 = 7.5131 < 9.7670] w=0.7593 to align # Constraint # added constraint: constraint((T0338)Y63.CB, (T0338)I76.CB) [> 4.4105 = 7.3508 < 9.5561] w=0.7584 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)T51.CB) [> 4.2424 = 7.0707 < 9.1918] w=0.7584 to align # Constraint # added constraint: constraint((T0338)S167.CB, (T0338)A190.CB) [> 4.5359 = 7.5599 < 9.8279] w=0.7584 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)I132.CB) [> 4.6116 = 7.6860 < 9.9918] w=0.7584 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)L235.CB) [> 3.6917 = 6.1528 < 7.9987] w=0.7306 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)L238.CB) [> 3.4112 = 5.6854 < 7.3910] w=0.7226 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)H145.CB) [> 3.5997 = 5.9995 < 7.7993] w=0.7226 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)H145.CB) [> 2.4164 = 4.0273 < 5.2355] w=0.7226 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)P146.CB) [> 3.7588 = 6.2646 < 8.1440] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)I143.CB) [> 3.4939 = 5.8232 < 7.5702] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)H145.CB) [> 3.7875 = 6.3125 < 8.2062] w=0.7226 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)I143.CB) [> 2.7511 = 4.5851 < 5.9607] w=0.7226 to align # Constraint # added constraint: constraint((T0338)H60.CB, (T0338)L182.CB) [> 3.8667 = 6.4445 < 8.3779] w=0.7226 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)S167.CB) [> 4.3869 = 7.3115 < 9.5049] w=0.7223 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L227.CB) [> 3.4891 = 5.8152 < 7.5598] w=0.7214 to align # Constraint # added constraint: constraint((T0338)H147.CB, (T0338)Y168.CB) [> 3.6075 = 6.0124 < 7.8162] w=0.7214 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)S77.CB) [> 4.5691 = 7.6151 < 9.8997] w=0.7159 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)K73.CB) [> 3.6542 = 6.0902 < 7.9173] w=0.7038 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)L175.CB) [> 3.1635 = 5.2725 < 6.8542] w=0.6957 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)L175.CB) [> 4.0018 = 6.6696 < 8.6705] w=0.6957 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)T172.CB) [> 4.2225 = 7.0376 < 9.1488] w=0.6957 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)S201.CB) [> 3.2400 = 5.4000 < 7.0199] w=0.6802 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)M59.CB) [> 4.1768 = 6.9613 < 9.0498] w=0.6778 to align # Constraint # added constraint: constraint((T0338)N36.CB, (T0338)H176.CB) [> 3.7153 = 6.1922 < 8.0498] w=0.6689 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)T241.CB) [> 3.5345 = 5.8908 < 7.6580] w=0.6689 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)Y63.CB) [> 4.2650 = 7.1083 < 9.2408] w=0.6501 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)V222.CB) [> 3.2080 = 5.3467 < 6.9508] w=0.6432 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)I143.CB) [> 4.5374 = 7.5623 < 9.8310] w=0.6420 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)T142.CB) [> 4.0801 = 6.8001 < 8.8402] w=0.6420 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)C191.CB) [> 4.4741 = 7.4568 < 9.6939] w=0.6420 to align # Constraint # added constraint: constraint((T0338)L50.CB, (T0338)T148.CB) [> 4.4031 = 7.3385 < 9.5400] w=0.6420 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)L227.CB) [> 3.7543 = 6.2572 < 8.1344] w=0.6418 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)E233.CB) [> 3.5811 = 5.9685 < 7.7591] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V150.CB, (T0338)Y168.CB) [> 3.4302 = 5.7170 < 7.4321] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)L226.CB) [> 3.8780 = 6.4633 < 8.4023] w=0.6408 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)E89.CB) [> 3.8786 = 6.4642 < 8.4035] w=0.5984 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)E89.CB) [> 3.7155 = 6.1925 < 8.0503] w=0.5984 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)C198.CB) [> 4.5346 = 7.5576 < 9.8249] w=0.5890 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)I237.CB) [> 2.9645 = 4.9409 < 6.4231] w=0.5695 to align # Constraint # added constraint: constraint((T0338)Y58.CB, (T0338)I141.CB) [> 4.2100 = 7.0167 < 9.1217] w=0.5615 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L126.CB) [> 3.9788 = 6.6314 < 8.6208] w=0.5473 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)L175.CB) [> 3.6462 = 6.0770 < 7.9001] w=0.5346 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)Y119.CB) [> 3.8340 = 6.3900 < 8.3070] w=0.5297 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)Y119.CB) [> 4.2528 = 7.0881 < 9.2145] w=0.5297 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)T136.CB) [> 4.5096 = 7.5159 < 9.7707] w=0.5203 to align # Constraint # added constraint: constraint((T0338)N72.CB, (T0338)L129.CB) [> 4.3839 = 7.3064 < 9.4984] w=0.5192 to align # Constraint # added constraint: constraint((T0338)A164.CB, (T0338)A197.CB) [> 4.5928 = 7.6546 < 9.9510] w=0.5191 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)S77.CB) [> 4.4307 = 7.3845 < 9.5998] w=0.5181 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)I205.CB) [> 3.7862 = 6.3103 < 8.2034] w=0.5053 to align # Constraint # added constraint: constraint((T0338)P146.CB, (T0338)S174.CB) [> 4.3096 = 7.1827 < 9.3376] w=0.5034 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)I237.CB) [> 3.4987 = 5.8312 < 7.5806] w=0.4890 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)L81.CB) [> 4.5829 = 7.6382 < 9.9296] w=0.4837 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)L81.CB) [> 4.6063 = 7.6772 < 9.9803] w=0.4837 to align # Constraint # added constraint: constraint((T0338)E95.CB, (T0338)T123.CB) [> 3.7670 = 6.2783 < 8.1618] w=0.4812 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)T172.CB) [> 3.8646 = 6.4410 < 8.3733] w=0.4809 to align # Constraint # added constraint: constraint((T0338)I52.CB, (T0338)L175.CB) [> 4.4097 = 7.3496 < 9.5544] w=0.4809 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)A171.CB) [> 4.4007 = 7.3345 < 9.5349] w=0.4809 to align # Constraint # added constraint: constraint((T0338)T54.CB, (T0338)I141.CB) [> 4.6307 = 7.7178 < 10.0331] w=0.4809 to align # Constraint # added constraint: constraint((T0338)L196.CB, (T0338)L238.CB) [> 3.8445 = 6.4076 < 8.3298] w=0.4809 to align # Constraint # added constraint: constraint((T0338)V151.CB, (T0338)A164.CB) [> 3.8622 = 6.4370 < 8.3682] w=0.4797 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)A197.CB) [> 4.6454 = 7.7423 < 10.0650] w=0.4478 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)T123.CB) [> 3.1268 = 5.2113 < 6.7748] w=0.4402 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L94.CB) [> 3.9072 = 6.5121 < 8.4657] w=0.4380 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)H106.CB) [> 3.5033 = 5.8388 < 7.5905] w=0.4281 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L108.CB) [> 3.9483 = 6.5805 < 8.5546] w=0.4281 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L111.CB) [> 3.1750 = 5.2917 < 6.8791] w=0.4281 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)L105.CB) [> 2.6996 = 4.4994 < 5.8492] w=0.4281 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)H106.CB) [> 3.0905 = 5.1509 < 6.6962] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)T123.CB) [> 3.1251 = 5.2085 < 6.7711] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)L126.CB) [> 3.4782 = 5.7970 < 7.5362] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)V127.CB) [> 3.8779 = 6.4632 < 8.4021] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)T123.CB) [> 3.0389 = 5.0649 < 6.5844] w=0.4281 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)L126.CB) [> 3.6786 = 6.1310 < 7.9703] w=0.4281 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)I205.CB) [> 4.0074 = 6.6790 < 8.6827] w=0.4249 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)V97.CB) [> 3.2796 = 5.4660 < 7.1057] w=0.4134 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)I76.CB) [> 4.5796 = 7.6327 < 9.9225] w=0.4107 to align # Constraint # added constraint: constraint((T0338)R19.CB, (T0338)M64.CB) [> 3.2033 = 5.3389 < 6.9405] w=0.4021 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)F234.CB) [> 3.2908 = 5.4847 < 7.1302] w=0.4016 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)L129.CB) [> 3.6884 = 6.1473 < 7.9915] w=0.4016 to align # Constraint # added constraint: constraint((T0338)E109.CB, (T0338)T123.CB) [> 3.6393 = 6.0654 < 7.8851] w=0.4012 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)T123.CB) [> 3.1653 = 5.2754 < 6.8580] w=0.4010 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)T179.CB) [> 3.1875 = 5.3126 < 6.9063] w=0.4007 to align # Constraint # added constraint: constraint((T0338)A84.CB, (T0338)I141.CB) [> 4.6933 = 7.8222 < 10.1689] w=0.4004 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)T172.CB) [> 4.1671 = 6.9451 < 9.0286] w=0.4004 to align # Constraint # added constraint: constraint((T0338)Q49.CB, (T0338)T172.CB) [> 3.9330 = 6.5551 < 8.5216] w=0.4004 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)L105.CB) [> 3.0669 = 5.1115 < 6.6450] w=0.3986 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)I98.CB) [> 4.1488 = 6.9147 < 8.9891] w=0.3862 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)E216.CB) [> 3.6676 = 6.1126 < 7.9464] w=0.3750 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)T114.CB) [> 3.3107 = 5.5178 < 7.1731] w=0.3750 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)P110.CB) [> 4.2049 = 7.0082 < 9.1107] w=0.3750 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)Y63.CB) [> 4.2276 = 7.0460 < 9.1599] w=0.3748 to align # Constraint # added constraint: constraint((T0338)L112.CB, (T0338)Q122.CB) [> 3.8083 = 6.3472 < 8.2514] w=0.3747 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)A118.CB) [> 3.8564 = 6.4274 < 8.3556] w=0.3744 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)A85.CB) [> 4.5981 = 7.6634 < 9.9625] w=0.3592 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)Q90.CB) [> 3.6936 = 6.1559 < 8.0027] w=0.3584 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)R31.CB) [> 4.0906 = 6.8177 < 8.8630] w=0.3484 to align # Constraint # added constraint: constraint((T0338)R19.CB, (T0338)L182.CB) [> 4.3306 = 7.2176 < 9.3829] w=0.3484 to align # Constraint # added constraint: constraint((T0338)R44.CB, (T0338)T114.CB) [> 3.8735 = 6.4559 < 8.3926] w=0.3480 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)K115.CB) [> 3.5608 = 5.9346 < 7.7150] w=0.3479 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)T187.CB) [> 4.0173 = 6.6955 < 8.7041] w=0.3478 to align # Constraint # added constraint: constraint((T0338)L175.CB, (T0338)I189.CB) [> 4.0959 = 6.8265 < 8.8744] w=0.3475 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)F68.CB) [> 3.5804 = 5.9674 < 7.7576] w=0.3475 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)A101.CB) [> 3.3735 = 5.6225 < 7.3092] w=0.3459 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)L196.CB) [> 4.7211 = 7.8685 < 10.2290] w=0.3303 to align # Constraint # added constraint: constraint((T0338)A85.CB, (T0338)V97.CB) [> 4.1854 = 6.9757 < 9.0684] w=0.3284 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)I132.CB) [> 4.3581 = 7.2635 < 9.4425] w=0.3235 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)Y184.CB) [> 4.6028 = 7.6714 < 9.9728] w=0.3222 to align # Constraint # added constraint: constraint((T0338)V207.CB, (T0338)L224.CB) [> 3.1133 = 5.1888 < 6.7455] w=0.3214 to align # Constraint # added constraint: constraint((T0338)H65.CB, (T0338)L137.CB) [> 4.1993 = 6.9988 < 9.0985] w=0.3210 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)T241.CB) [> 3.8163 = 6.3605 < 8.2686] w=0.3208 to align # Constraint # added constraint: constraint((T0338)R61.CB, (T0338)I143.CB) [> 4.7024 = 7.8374 < 10.1886] w=0.3208 to align # Constraint # added constraint: constraint((T0338)F82.CB, (T0338)L105.CB) [> 4.5963 = 7.6605 < 9.9586] w=0.3189 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)F234.CB) [> 3.7426 = 6.2377 < 8.1090] w=0.3173 to align # Constraint # added constraint: constraint((T0338)T51.CB, (T0338)V87.CB) [> 4.5842 = 7.6404 < 9.9326] w=0.3155 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)K73.CB) [> 4.1627 = 6.9378 < 9.0191] w=0.3117 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)V97.CB) [> 4.2816 = 7.1360 < 9.2768] w=0.3086 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)V100.CB) [> 3.3662 = 5.6104 < 7.2935] w=0.3060 to align # Constraint # added constraint: constraint((T0338)L45.CB, (T0338)V100.CB) [> 3.5474 = 5.9123 < 7.6860] w=0.3037 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)T178.CB) [> 3.2576 = 5.4293 < 7.0580] w=0.2953 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)K115.CB) [> 3.6441 = 6.0735 < 7.8956] w=0.2949 to align # Constraint # added constraint: constraint((T0338)K212.CB, (T0338)V222.CB) [> 3.7076 = 6.1793 < 8.0330] w=0.2945 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)Y63.CB) [> 4.5142 = 7.5236 < 9.7807] w=0.2938 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)T179.CB) [> 3.3733 = 5.6221 < 7.3088] w=0.2930 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)H60.CB) [> 4.6240 = 7.7066 < 10.0186] w=0.2756 to align # Constraint # added constraint: constraint((T0338)F68.CB, (T0338)I132.CB) [> 3.7087 = 6.1812 < 8.0355] w=0.2694 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)T114.CB) [> 4.3866 = 7.3111 < 9.5044] w=0.2685 to align # Constraint # added constraint: constraint((T0338)S29.CB, (T0338)L245.CB) [> 4.2309 = 7.0515 < 9.1669] w=0.2685 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)L245.CB) [> 3.9351 = 6.5586 < 8.5261] w=0.2679 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)S208.CB) [> 3.6381 = 6.0636 < 7.8826] w=0.2677 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)A101.CB) [> 3.5230 = 5.8717 < 7.6333] w=0.2663 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)W203.CB) [> 3.4228 = 5.7046 < 7.4160] w=0.2651 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)I141.CB) [> 3.3196 = 5.5327 < 7.1926] w=0.2593 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)Q90.CB) [> 4.2011 = 7.0018 < 9.1024] w=0.2571 to align # Constraint # added constraint: constraint((T0338)M41.CB, (T0338)V97.CB) [> 4.4434 = 7.4057 < 9.6275] w=0.2523 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)V97.CB) [> 3.3289 = 5.5482 < 7.2127] w=0.2523 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)L238.CB) [> 4.4926 = 7.4876 < 9.7339] w=0.2416 to align # Constraint # added constraint: constraint((T0338)T178.CB, (T0338)L238.CB) [> 3.5815 = 5.9692 < 7.7599] w=0.2416 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)F68.CB) [> 3.8347 = 6.3912 < 8.3085] w=0.2416 to align # Constraint # added constraint: constraint((T0338)Q32.CB, (T0338)L177.CB) [> 3.9282 = 6.5470 < 8.5111] w=0.2416 to align # Constraint # added constraint: constraint((T0338)L177.CB, (T0338)I237.CB) [> 3.9594 = 6.5990 < 8.5787] w=0.2416 to align # Constraint # added constraint: constraint((T0338)H195.CB, (T0338)L224.CB) [> 4.0831 = 6.8052 < 8.8467] w=0.2416 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)A118.CB) [> 4.6409 = 7.7348 < 10.0553] w=0.2412 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)E144.CB) [> 3.0935 = 5.1558 < 6.7025] w=0.2409 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)E144.CB) [> 3.2184 = 5.3640 < 6.9732] w=0.2409 to align # Constraint # added constraint: constraint((T0338)E13.CB, (T0338)I143.CB) [> 2.9509 = 4.9181 < 6.3935] w=0.2409 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)E216.CB) [> 4.1409 = 6.9015 < 8.9719] w=0.2408 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)T187.CB) [> 4.6717 = 7.7861 < 10.1220] w=0.2407 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)F68.CB) [> 3.7161 = 6.1935 < 8.0516] w=0.2407 to align # Constraint # added constraint: constraint((T0338)N53.CB, (T0338)I143.CB) [> 4.4500 = 7.4167 < 9.6417] w=0.2407 to align # Constraint # added constraint: constraint((T0338)V192.CB, (T0338)L235.CB) [> 3.9994 = 6.6657 < 8.6654] w=0.2407 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)F139.CB) [> 4.2534 = 7.0890 < 9.2156] w=0.2405 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)Y217.CB) [> 3.7134 = 6.1890 < 8.0457] w=0.2405 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)W214.CB) [> 3.2560 = 5.4267 < 7.0547] w=0.2405 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)G211.CA) [> 4.3251 = 7.2085 < 9.3711] w=0.2405 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)L182.CB) [> 4.5530 = 7.5883 < 9.8648] w=0.2402 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)V127.CB) [> 3.9166 = 6.5277 < 8.4860] w=0.2399 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)L182.CB) [> 4.3946 = 7.3244 < 9.5217] w=0.2393 to align # Constraint # added constraint: constraint((T0338)Q39.CB, (T0338)H176.CB) [> 3.6584 = 6.0973 < 7.9265] w=0.2393 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)W203.CB) [> 3.6713 = 6.1187 < 7.9544] w=0.2379 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)E125.CB) [> 4.4755 = 7.4592 < 9.6969] w=0.2349 to align # Constraint # added constraint: constraint((T0338)R44.CB, (T0338)V100.CB) [> 2.8922 = 4.8203 < 6.2664] w=0.2264 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)W215.CB) [> 3.0577 = 5.0962 < 6.6251] w=0.2259 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)Y119.CB) [> 2.9167 = 4.8612 < 6.3196] w=0.2258 to align # Constraint # added constraint: constraint((T0338)N74.CB, (T0338)H102.CB) [> 3.8909 = 6.4848 < 8.4302] w=0.2171 to align # Constraint # added constraint: constraint((T0338)G21.CA, (T0338)T69.CB) [> 3.8278 = 6.3797 < 8.2936] w=0.2148 to align # Constraint # added constraint: constraint((T0338)L28.CB, (T0338)L177.CB) [> 4.4317 = 7.3861 < 9.6019] w=0.2148 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)D149.CB) [> 4.1234 = 6.8724 < 8.9341] w=0.2140 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)T187.CB) [> 4.3394 = 7.2323 < 9.4020] w=0.2140 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)G211.CA) [> 3.6455 = 6.0759 < 7.8986] w=0.2140 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)L112.CB) [> 4.5745 = 7.6242 < 9.9115] w=0.2139 to align # Constraint # added constraint: constraint((T0338)K212.CB, (T0338)T223.CB) [> 3.5418 = 5.9029 < 7.6738] w=0.2139 to align # Constraint # added constraint: constraint((T0338)T187.CB, (T0338)W215.CB) [> 3.4041 = 5.6736 < 7.3756] w=0.2136 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)I205.CB) [> 4.2721 = 7.1202 < 9.2563] w=0.2109 to align # Constraint # added constraint: constraint((T0338)L83.CB, (T0338)L137.CB) [> 4.6428 = 7.7379 < 10.0593] w=0.2061 to align # Constraint # added constraint: constraint((T0338)F71.CB, (T0338)E125.CB) [> 4.3727 = 7.2879 < 9.4743] w=0.1994 to align # Constraint # added constraint: constraint((T0338)K99.CB, (T0338)Y119.CB) [> 3.9471 = 6.5785 < 8.5521] w=0.1991 to align # Constraint # added constraint: constraint((T0338)A35.CB, (T0338)H60.CB) [> 4.5125 = 7.5208 < 9.7770] w=0.1981 to align # Constraint # added constraint: constraint((T0338)A159.CB, (T0338)C198.CB) [> 3.7754 = 6.2924 < 8.1802] w=0.1969 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)H102.CB) [> 3.8768 = 6.4614 < 8.3998] w=0.1899 to align # Constraint # added constraint: constraint((T0338)L108.CB, (T0338)E130.CB) [> 4.6173 = 7.6955 < 10.0042] w=0.1892 to align # Constraint # added constraint: constraint((T0338)V97.CB, (T0338)T123.CB) [> 4.7059 = 7.8431 < 10.1961] w=0.1879 to align # Constraint # added constraint: constraint((T0338)N173.CB, (T0338)R249.CB) [> 3.5135 = 5.8558 < 7.6126] w=0.1879 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)R249.CB) [> 3.9999 = 6.6665 < 8.6664] w=0.1879 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)I143.CB) [> 4.3310 = 7.2183 < 9.3838] w=0.1879 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L120.CB) [> 4.2388 = 7.0647 < 9.1841] w=0.1875 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)W215.CB) [> 3.8428 = 6.4047 < 8.3261] w=0.1875 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)E144.CB) [> 3.5697 = 5.9496 < 7.7344] w=0.1875 to align # Constraint # added constraint: constraint((T0338)L156.CB, (T0338)D219.CB) [> 3.2106 = 5.3509 < 6.9562] w=0.1871 to align # Constraint # added constraint: constraint((T0338)I143.CB, (T0338)P186.CB) [> 4.4771 = 7.4618 < 9.7003] w=0.1870 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)M64.CB) [> 4.0787 = 6.7978 < 8.8371] w=0.1868 to align # Constraint # added constraint: constraint((T0338)E88.CB, (T0338)L105.CB) [> 4.6648 = 7.7747 < 10.1071] w=0.1851 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)Y119.CB) [> 3.6562 = 6.0937 < 7.9218] w=0.1849 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)T142.CB) [> 4.4164 = 7.3607 < 9.5689] w=0.1814 to align # Constraint # added constraint: constraint((T0338)G42.CA, (T0338)V100.CB) [> 4.1516 = 6.9193 < 8.9951] w=0.1673 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)F139.CB) [> 4.5008 = 7.5013 < 9.7516] w=0.1624 to align # Constraint # added constraint: constraint((T0338)M64.CB, (T0338)L182.CB) [> 4.4755 = 7.4591 < 9.6969] w=0.1611 to align # Constraint # added constraint: constraint((T0338)H60.CB, (T0338)C181.CB) [> 3.8786 = 6.4643 < 8.4036] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)C181.CB) [> 3.4046 = 5.6743 < 7.3766] w=0.1611 to align # Constraint # added constraint: constraint((T0338)I56.CB, (T0338)C181.CB) [> 4.2053 = 7.0089 < 9.1116] w=0.1611 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)C198.CB) [> 4.6924 = 7.8207 < 10.1669] w=0.1611 to align # Constraint # added constraint: constraint((T0338)F180.CB, (T0338)I189.CB) [> 3.6618 = 6.1031 < 7.9340] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)T231.CB) [> 4.4753 = 7.4588 < 9.6964] w=0.1611 to align # Constraint # added constraint: constraint((T0338)K152.CB, (T0338)W214.CB) [> 4.2315 = 7.0525 < 9.1683] w=0.1611 to align # Constraint # added constraint: constraint((T0338)D149.CB, (T0338)I189.CB) [> 4.5474 = 7.5791 < 9.8528] w=0.1611 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)I248.CB) [> 4.4569 = 7.4282 < 9.6567] w=0.1611 to align # Constraint # added constraint: constraint((T0338)F169.CB, (T0338)A253.CB) [> 2.5640 = 4.2734 < 5.5554] w=0.1611 to align # Constraint # added constraint: constraint((T0338)Y168.CB, (T0338)A253.CB) [> 4.5993 = 7.6656 < 9.9653] w=0.1611 to align # Constraint # added constraint: constraint((T0338)Q165.CB, (T0338)A253.CB) [> 4.0713 = 6.7855 < 8.8211] w=0.1611 to align # Constraint # added constraint: constraint((T0338)V22.CB, (T0338)Y63.CB) [> 4.5710 = 7.6183 < 9.9038] w=0.1605 to align # Constraint # added constraint: constraint((T0338)V207.CB, (T0338)D228.CB) [> 3.8613 = 6.4355 < 8.3662] w=0.1603 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)L120.CB) [> 3.6032 = 6.0053 < 7.8069] w=0.1603 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)K185.CB) [> 3.8873 = 6.4788 < 8.4224] w=0.1603 to align # Constraint # added constraint: constraint((T0338)I38.CB, (T0338)S78.CB) [> 4.5644 = 7.6074 < 9.8897] w=0.1602 to align # Constraint # added constraint: constraint((T0338)C193.CB, (T0338)L238.CB) [> 4.5265 = 7.5442 < 9.8074] w=0.1602 to align # Constraint # added constraint: constraint((T0338)S67.CB, (T0338)T136.CB) [> 2.6068 = 4.3447 < 5.6481] w=0.1599 to align # Constraint # added constraint: constraint((T0338)W215.CB, (T0338)L227.CB) [> 4.3437 = 7.2395 < 9.4114] w=0.1599 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)L230.CB) [> 3.8097 = 6.3495 < 8.2544] w=0.1586 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)V127.CB) [> 4.7882 = 7.9804 < 10.3745] w=0.1519 to align # Constraint # added constraint: constraint((T0338)R158.CB, (T0338)W203.CB) [> 4.6717 = 7.7862 < 10.1220] w=0.1519 to align # Constraint # added constraint: constraint((T0338)I194.CB, (T0338)W215.CB) [> 4.3938 = 7.3230 < 9.5199] w=0.1462 to align # Constraint # added constraint: constraint((T0338)R9.CB, (T0338)T142.CB) [> 4.6349 = 7.7248 < 10.0423] w=0.1342 to align # Constraint # added constraint: constraint((T0338)H96.CB, (T0338)T123.CB) [> 3.7901 = 6.3169 < 8.2119] w=0.1339 to align # Constraint # added constraint: constraint((T0338)K99.CB, (T0338)T123.CB) [> 2.9965 = 4.9942 < 6.4924] w=0.1339 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)L120.CB) [> 4.5978 = 7.6630 < 9.9618] w=0.1338 to align # Constraint # added constraint: constraint((T0338)V188.CB, (T0338)W215.CB) [> 4.2877 = 7.1461 < 9.2899] w=0.1331 to align # Constraint # added constraint: constraint((T0338)Y217.CB, (T0338)L226.CB) [> 3.9574 = 6.5957 < 8.5744] w=0.1331 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)S78.CB) [> 4.7005 = 7.8341 < 10.1844] w=0.1256 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)W214.CB) [> 3.3629 = 5.6049 < 7.2864] w=0.1193 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)Y63.CB) [> 4.1980 = 6.9966 < 9.0956] w=0.1150 to align # Constraint # added constraint: constraint((T0338)V97.CB, (T0338)L111.CB) [> 3.7215 = 6.2025 < 8.0633] w=0.1074 to align # Constraint # added constraint: constraint((T0338)H96.CB, (T0338)L111.CB) [> 4.5312 = 7.5520 < 9.8175] w=0.1074 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)R249.CB) [> 3.7504 = 6.2506 < 8.1258] w=0.1074 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L111.CB) [> 4.2250 = 7.0416 < 9.1541] w=0.1074 to align # Constraint # added constraint: constraint((T0338)I98.CB, (T0338)L112.CB) [> 3.5014 = 5.8356 < 7.5863] w=0.1074 to align # Constraint # added constraint: constraint((T0338)C198.CB, (T0338)S208.CB) [> 4.3587 = 7.2646 < 9.4440] w=0.1074 to align # Constraint # added constraint: constraint((T0338)T187.CB, (T0338)W214.CB) [> 4.1603 = 6.9338 < 9.0140] w=0.1071 to align # Constraint # added constraint: constraint((T0338)C153.CB, (T0338)Y217.CB) [> 4.1183 = 6.8638 < 8.9230] w=0.1071 to align # Constraint # added constraint: constraint((T0338)I75.CB, (T0338)A103.CB) [> 3.1838 = 5.3064 < 6.8983] w=0.0925 to align # Constraint # added constraint: constraint((T0338)A103.CB, (T0338)L126.CB) [> 3.5462 = 5.9104 < 7.6835] w=0.0925 to align # Constraint # added constraint: constraint((T0338)C104.CB, (T0338)T123.CB) [> 3.1577 = 5.2628 < 6.8416] w=0.0925 to align # Constraint # added constraint: constraint((T0338)C104.CB, (T0338)L126.CB) [> 4.1791 = 6.9652 < 9.0547] w=0.0925 to align # Constraint # added constraint: constraint((T0338)S67.CB, (T0338)I76.CB) [> 3.6282 = 6.0471 < 7.8612] w=0.0886 to align # Constraint # added constraint: constraint((T0338)L163.CB, (T0338)W200.CB) [> 4.7660 = 7.9434 < 10.3264] w=0.0861 to align # Constraint # added constraint: constraint((T0338)L94.CB, (T0338)E130.CB) [> 4.7733 = 7.9556 < 10.3423] w=0.0842 to align # Constraint # added constraint: constraint((T0338)F62.CB, (T0338)T79.CB) [> 4.7086 = 7.8477 < 10.2020] w=0.0805 to align # Constraint # added constraint: constraint((T0338)V57.CB, (T0338)P186.CB) [> 4.7835 = 7.9726 < 10.3644] w=0.0805 to align # Constraint # added constraint: constraint((T0338)Q155.CB, (T0338)H213.CB) [> 4.5244 = 7.5407 < 9.8029] w=0.0805 to align # Constraint # added constraint: constraint((T0338)K185.CB, (T0338)V218.CB) [> 3.9347 = 6.5579 < 8.5252] w=0.0805 to align # Constraint # added constraint: constraint((T0338)F6.CB, (T0338)K152.CB) [> 4.2593 = 7.0989 < 9.2285] w=0.0802 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)V207.CB) [> 4.1279 = 6.8797 < 8.9437] w=0.0802 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)P186.CB) [> 3.7441 = 6.2402 < 8.1123] w=0.0798 to align # Constraint # added constraint: constraint((T0338)R31.CB, (T0338)L182.CB) [> 4.7658 = 7.9430 < 10.3260] w=0.0796 to align # Constraint # added constraint: constraint((T0338)Q49.CB, (T0338)A164.CB) [> 4.5441 = 7.5735 < 9.8456] w=0.0796 to align # Constraint # added constraint: constraint((T0338)S174.CB, (T0338)L235.CB) [> 4.6383 = 7.7305 < 10.0496] w=0.0796 to align # Constraint # added constraint: constraint((T0338)L37.CB, (T0338)A101.CB) [> 4.5391 = 7.5652 < 9.8347] w=0.0783 to align # Constraint # added constraint: constraint((T0338)S77.CB, (T0338)A101.CB) [> 4.6727 = 7.7878 < 10.1242] w=0.0783 to align # Constraint # added constraint: constraint((T0338)C181.CB, (T0338)V192.CB) [> 4.5954 = 7.6591 < 9.9568] w=0.0780 to align # Constraint # added constraint: constraint((T0338)A101.CB, (T0338)D113.CB) [> 3.2875 = 5.4792 < 7.1230] w=0.0660 to align # Constraint # added constraint: constraint((T0338)S78.CB, (T0338)V100.CB) [> 4.4302 = 7.3837 < 9.5988] w=0.0638 to align # Constraint # added constraint: constraint((T0338)A91.CB, (T0338)V151.CB) [> 4.6622 = 7.7704 < 10.1015] w=0.0591 to align # Constraint # added constraint: constraint((T0338)C191.CB, (T0338)D219.CB) [> 4.6228 = 7.7047 < 10.0161] w=0.0559 to align # Constraint # added constraint: constraint((T0338)V47.CB, (T0338)C104.CB) [> 4.5767 = 7.6279 < 9.9162] w=0.0559 to align # Constraint # added constraint: constraint((T0338)E40.CB, (T0338)T114.CB) [> 4.5203 = 7.5339 < 9.7940] w=0.0541 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)L245.CB) [> 4.2045 = 7.0075 < 9.1097] w=0.0537 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)I248.CB) [> 3.2145 = 5.3576 < 6.9648] w=0.0537 to align # Constraint # added constraint: constraint((T0338)A101.CB, (T0338)T114.CB) [> 3.1105 = 5.1842 < 6.7395] w=0.0537 to align # Constraint # added constraint: constraint((T0338)P107.CB, (T0338)T123.CB) [> 4.6313 = 7.7188 < 10.0345] w=0.0537 to align # Constraint # added constraint: constraint((T0338)C20.CB, (T0338)L182.CB) [> 4.7751 = 7.9585 < 10.3461] w=0.0537 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)W215.CB) [> 4.1151 = 6.8586 < 8.9162] w=0.0537 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)E216.CB) [> 4.6941 = 7.8234 < 10.1705] w=0.0537 to align # Constraint # added constraint: constraint((T0338)T166.CB, (T0338)A253.CB) [> 4.7918 = 7.9864 < 10.3823] w=0.0537 to align # Constraint # added constraint: constraint((T0338)W214.CB, (T0338)L224.CB) [> 3.8131 = 6.3552 < 8.2617] w=0.0529 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)I205.CB) [> 4.4216 = 7.3693 < 9.5801] w=0.0527 to align # Constraint # added constraint: constraint((T0338)T79.CB, (T0338)L134.CB) [> 4.4565 = 7.4276 < 9.6558] w=0.0450 to align # Constraint # added constraint: constraint((T0338)I194.CB, (T0338)W214.CB) [> 4.0619 = 6.7698 < 8.8007] w=0.0392 to align # Constraint # added constraint: constraint((T0338)A91.CB, (T0338)C198.CB) [> 4.0360 = 6.7266 < 8.7445] w=0.0370 to align # Constraint # added constraint: constraint((T0338)H102.CB, (T0338)T123.CB) [> 3.4289 = 5.7149 < 7.4294] w=0.0369 to align # Constraint # added constraint: constraint((T0338)S48.CB, (T0338)C104.CB) [> 4.1707 = 6.9511 < 9.0365] w=0.0295 to align # Constraint # added constraint: constraint((T0338)V87.CB, (T0338)A103.CB) [> 4.6790 = 7.7983 < 10.1378] w=0.0295 to align # Constraint # added constraint: constraint((T0338)A34.CB, (T0338)I143.CB) [> 4.2508 = 7.0847 < 9.2101] w=0.0268 to align # Constraint # added constraint: constraint((T0338)L12.CB, (T0338)E140.CB) [> 4.2224 = 7.0373 < 9.1485] w=0.0268 to align # Constraint # added constraint: constraint((T0338)Q33.CB, (T0338)I248.CB) [> 4.7955 = 7.9924 < 10.3902] w=0.0268 to align # Constraint # added constraint: constraint((T0338)K26.CB, (T0338)Q183.CB) [> 2.5631 = 4.2718 < 5.5533] w=0.0268 to align # Constraint # added constraint: constraint((T0338)V157.CB, (T0338)K199.CB) [> 4.7203 = 7.8672 < 10.2274] w=0.0268 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)W200.CB) [> 4.5397 = 7.5662 < 9.8361] w=0.0268 to align # Constraint # added constraint: constraint((T0338)T154.CB, (T0338)W214.CB) [> 4.5398 = 7.5662 < 9.8361] w=0.0268 to align # Constraint # added constraint: constraint((T0338)C30.CB, (T0338)A253.CB) [> 3.6834 = 6.1391 < 7.9808] w=0.0268 to align # Constraint # added constraint: constraint((T0338)S3.CB, (T0338)S208.CB) [> 3.3296 = 5.5493 < 7.2140] w=0.0265 to align # Constraint # added constraint: constraint((T0338)E13.CB, (T0338)Y184.CB) [> 4.7494 = 7.9157 < 10.2904] w=0.0264 to align # Constraint # added constraint: constraint((T0338)F7.CB, (T0338)K185.CB) [> 4.7096 = 7.8494 < 10.2042] w=0.0264 to align # Constraint # added constraint: constraint((T0338)M170.CB, (T0338)I248.CB) [> 2.7009 = 4.5015 < 5.8519] w=0.0260 to align # Constraint # added constraint: constraint((T0338)T142.CB, (T0338)Y184.CB) [> 3.7434 = 6.2389 < 8.1106] w=0.0246 to align # Constraint # added constraint: constraint((T0338)D113.CB, (T0338)T123.CB) [> 4.2771 = 7.1285 < 9.2670] w=0.0123 to align # Constraint # added constraint: constraint((T0338)H145.CB, (T0338)Y184.CB) [> 3.6609 = 6.1015 < 7.9319] w=0.0123 to align # Constraint # added constraint: constraint((T0338)K86.CB, (T0338)F139.CB) [> 4.7152 = 7.8587 < 10.2163] w=0.0081 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0338/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0338/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # 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 T0338 can't currently be optimized by undertaker # 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 T0338 can't currently be optimized by undertaker # 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 T0338 can't currently be optimized by undertaker # 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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 210 # 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 5 # 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 180 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 181 # 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 220 # 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 190 # 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 231 # 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 226 # 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 248 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 219 # 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 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 246 # 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 # Found a chain break before 246 # copying to AlignedFragments data structure # 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 213 # 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 246 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 252 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 179 # 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 119 # 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 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 253 # 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 248 # 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 244 # 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 218 # 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 255 # 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 252 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 # WARNING: incomplete conformation T0338 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 246 # 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 245 # 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 241 # 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 251 # 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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # 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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # 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 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 222 # 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # 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 # Found a chain break before 183 # copying to AlignedFragments data structure # 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 24 # 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 179 # 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 182 # 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 246 # 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 254 # 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 241 # 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 220 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 88 # 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 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 220 # 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 # Found a chain break before 179 # copying to AlignedFragments data structure # 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 179 # 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 219 # 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 205 # 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 219 # 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 254 # 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 253 # 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 177 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 141 # 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 245 # 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 241 # 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 242 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # 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 Skipped atom 45, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 46, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 47, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 48, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 267, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 585, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 588, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 608, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 621, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 622, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 623, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 624, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 681, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 682, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 683, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 684, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 713, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 714, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 715, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 716, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 777, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 779, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 865, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 867, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 237 # 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 T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 175 # 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 71 # 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 95 # 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 179 # 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 175 # 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 175 # 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 179 # 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 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # 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 218 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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: atoms too close: (T0338)P110.CA and (T0338)L120.CA only 0.000 apart, marking (T0338)L120.CA as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 183 # 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 221 # 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 208 # 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 222 # 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 115 # 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 254 # 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 T0338 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 220 # 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 199 # 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 199 # 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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)E204.O and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # 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 255 # 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 250 # 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 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 T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)Q90.N and (T0338)A91.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A91.CA only 0.000 apart, marking (T0338)A91.CA as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A91.CB only 0.000 apart, marking (T0338)A91.CB as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A91.O only 0.000 apart, marking (T0338)A91.O as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A91.C only 0.000 apart, marking (T0338)A91.C as missing WARNING: atoms too close: (T0338)A91.N and (T0338)R92.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)R92.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)R92.CG only 0.000 apart, marking (T0338)R92.CG as missing WARNING: atoms too close: (T0338)A91.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)A91.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K93.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K93.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K93.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)K93.N and (T0338)L94.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)L94.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)L94.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)L94.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)K93.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)K93.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E95.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E95.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E95.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E95.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E95.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H96.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H96.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H96.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H96.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H96.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H96.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V97.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V97.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V97.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V97.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V97.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V97.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V97.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I98.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I98.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I98.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I98.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I98.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I98.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I98.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I98.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)I98.N and (T0338)K99.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)K99.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)K99.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)K99.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)K99.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)K99.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K99.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K99.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K99.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)I98.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)I98.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V100.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V100.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V100.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V100.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V100.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V100.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V100.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V100.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V100.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V100.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A101.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A101.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A101.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A101.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A101.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A101.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A101.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A101.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A101.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A101.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A101.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A101.N and (T0338)H102.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)H102.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)H102.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)H102.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)H102.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)H102.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H102.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H102.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H102.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H102.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H102.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H102.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)A101.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A101.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H102.N and (T0338)A103.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)A103.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A103.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A103.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A103.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A103.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A103.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A103.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A103.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A103.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A103.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A103.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H102.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H102.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A103.N and (T0338)C104.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)C104.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)C104.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)C104.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)C104.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)C104.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)C104.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)C104.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)C104.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)C104.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)C104.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)C104.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)C104.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)C104.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A103.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A103.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W200.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W200.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W200.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W200.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W200.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W200.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W200.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W200.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W200.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W200.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W200.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W200.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W200.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W200.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W200.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)W200.N and (T0338)S201.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)S201.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)S201.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)S201.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)S201.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)S201.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)S201.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)S201.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)S201.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)S201.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)S201.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)S201.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)S201.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)S201.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)S201.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)S201.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)W200.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)W200.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)S201.N and (T0338)N202.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)N202.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)N202.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)N202.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)N202.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)N202.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)N202.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)N202.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)N202.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)N202.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)N202.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)N202.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)N202.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)N202.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)N202.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)N202.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)N202.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)S201.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)S201.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)N202.N and (T0338)W203.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)W203.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)W203.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W203.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W203.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W203.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W203.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W203.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W203.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W203.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W203.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W203.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W203.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W203.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W203.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W203.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W203.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W203.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)N202.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)N202.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W203.N and (T0338)E204.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)E204.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)E204.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)E204.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)E204.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)E204.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)E204.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)E204.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)E204.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)E204.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)E204.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)E204.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)E204.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)E204.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E204.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E204.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E204.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E204.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E204.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W203.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W203.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E204.N and (T0338)I205.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)I205.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)I205.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)I205.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)I205.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)I205.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)I205.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)I205.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)I205.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)I205.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)I205.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)I205.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I205.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I205.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I205.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I205.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I205.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I205.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I205.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E204.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E204.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I205.N and (T0338)P206.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)P206.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)P206.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)P206.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)P206.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)P206.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)P206.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)P206.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)P206.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)P206.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)P206.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)P206.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)P206.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)P206.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)P206.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)P206.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)P206.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)P206.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)P206.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)P206.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)P206.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I205.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I205.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)P206.N and (T0338)V207.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.N and (T0338)V207.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)V207.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)V207.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)V207.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)V207.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)V207.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)V207.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)V207.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)V207.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)V207.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)V207.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V207.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V207.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V207.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V207.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V207.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V207.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V207.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V207.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V207.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V207.N only 0.000 apart, marking (T0338)V207.N as missing WARNING: atoms too close: (T0338)P206.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)P206.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)P206.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)P206.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I205.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)P206.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I205.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing # WARNING: incomplete conformation T0338 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 T0338 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 270 model score -0.2492 model score -0.2592 model score -0.2977 model score -0.2936 model score -0.1967 model score -0.3442 model score -0.3506 model score -0.3438 model score -0.2842 model score -0.3537 model score -0.2866 model score -0.2854 model score -0.2753 model score -0.2412 model score -0.3515 model score -0.2389 model score -0.2606 model score -0.1101 model score -0.2785 model score -0.0703 model score 1.3172 model score 1.5271 model score 1.4817 model score 1.4535 model score 1.3022 model score -0.2911 model score -0.0351 model score -0.3479 model score -0.3277 model score -0.3316 model score -0.3215 model score -0.2409 model score -0.2104 model score -0.1592 model score 0.0515 model score 0.1576 model score 0.7069 model score -0.2629 model score -0.4308 model score -0.2355 model score -0.4297 model score -0.3509 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1884 model score -0.2894 model score -0.2172 model score -0.1592 model score -0.2046 model score -0.2456 model score -0.1592 model score -0.1592 model score -0.2104 model score 0.0515 model score -0.3546 model score -0.2925 model score -0.1354 model score -0.2785 model score -0.1331 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 2.4551 model score 2.1390 model score 2.2556 model score 2.4217 model score 2.2926 model score -0.3690 model score -0.1485 model score -0.1420 model score -0.1369 model score 2.3413 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.2130 model score 0.1863 model score -0.1822 model score -0.1969 model score 0.2035 model score 0.0105 model score 1.5097 model score -0.2776 model score -0.3492 model score -0.1097 model score -0.2567 model score -0.0824 model score -0.2511 model score -0.2544 model score 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score 0.0696 model score 0.0960 model score 0.0567 model score -0.4168 model score -0.3741 model score -0.3944 model score -0.4092 model score -0.3322 model score -0.4341 model score -0.4112 model score -0.4231 model score -0.4420 model score -0.4388 model score -0.2303 model score -0.1648 model score -0.2863 model score -0.3064 model score 0.0204 model score -0.2845 model score -0.1932 model score -0.3337 model score -0.3516 model score 0.0016 model score -0.4092 model score -0.4455 model score -0.3944 model score -0.3996 model score -0.4168 model score -0.3139 model score -0.3294 model score -0.3291 model score -0.3075 model score -0.3090 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 -0.1713 model score -0.4603 model score -0.5404 model score -0.3225 model score -0.1603 model score -0.2658 model score -0.2024 model score -0.2105 model score -0.3554 model score -0.2011 model score -0.2978 model score -0.1942 model score -0.2358 model score -0.1935 model score -0.3085 model score -0.2340 model score -0.1834 model score -0.3632 model score -0.2018 model score -0.2881 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.2244 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4059 model score -0.3909 model score -0.3962 model score -0.3688 model score -0.4269 model score -0.3292 model score -0.2718 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 1.3812 model score 1.5027 model score 1.4275 model score 1.4190 model score 1.4491 model score 2.0665 model score 2.2644 model score 2.7680 model score 2.5606 model score -0.0842 model score -0.0343 model score -0.2731 model score 0.2782 model score 0.2620 model score -0.2861 model score -0.4486 model score -0.2604 model score -0.2081 model score -0.3373 model score -0.0853 model score -0.0851 model score -0.3130 model score -0.0764 model score -0.1928 model score -0.1641 model score -0.3432 model score -0.3220 weight: 0.9208 eval: -0.2492 min: -0.5404 max: 2.7680 weight: 0.9235 eval: -0.2592 min: -0.5404 max: 2.7680 weight: 0.9340 eval: -0.2977 min: -0.5404 max: 2.7680 weight: 0.9329 eval: -0.2936 min: -0.5404 max: 2.7680 weight: 0.9065 eval: -0.1967 min: -0.5404 max: 2.7680 weight: 0.9466 eval: -0.3442 min: -0.5404 max: 2.7680 weight: 0.9484 eval: -0.3506 min: -0.5404 max: 2.7680 weight: 0.9465 eval: -0.3438 min: -0.5404 max: 2.7680 weight: 0.9303 eval: -0.2842 min: -0.5404 max: 2.7680 weight: 0.9492 eval: -0.3537 min: -0.5404 max: 2.7680 weight: 0.9309 eval: -0.2866 min: -0.5404 max: 2.7680 weight: 0.9306 eval: -0.2854 min: -0.5404 max: 2.7680 weight: 0.9279 eval: -0.2753 min: 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-0.4980 min: -0.5404 max: 2.7680 weight: 0.9574 eval: -0.3837 min: -0.5404 max: 2.7680 weight: 0.9674 eval: -0.4205 min: -0.5404 max: 2.7680 weight: 0.9451 eval: -0.3387 min: -0.5404 max: 2.7680 weight: 0.8908 eval: -0.1391 min: -0.5404 max: 2.7680 weight: 0.5058 eval: 1.2761 min: -0.5404 max: 2.7680 weight: 0.5048 eval: 1.2799 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2770 min: -0.5404 max: 2.7680 weight: 0.5048 eval: 1.2798 min: -0.5404 max: 2.7680 weight: 0.5050 eval: 1.2791 min: -0.5404 max: 2.7680 weight: 0.9297 eval: -0.2819 min: -0.5404 max: 2.7680 weight: 0.9308 eval: -0.2860 min: -0.5404 max: 2.7680 weight: 0.9422 eval: -0.3281 min: -0.5404 max: 2.7680 weight: 0.9499 eval: -0.3561 min: -0.5404 max: 2.7680 weight: 0.9555 eval: -0.3768 min: -0.5404 max: 2.7680 weight: 0.8982 eval: -0.1662 min: -0.5404 max: 2.7680 weight: 0.8933 eval: -0.1481 min: -0.5404 max: 2.7680 weight: 0.9575 eval: -0.3841 min: -0.5404 max: 2.7680 weight: 0.9094 eval: -0.2073 min: -0.5404 max: 2.7680 weight: 0.9433 eval: -0.3319 min: -0.5404 max: 2.7680 weight: 0.9598 eval: -0.3926 min: -0.5404 max: 2.7680 weight: 0.9677 eval: -0.4217 min: -0.5404 max: 2.7680 weight: 0.9369 eval: -0.3084 min: -0.5404 max: 2.7680 weight: 0.9707 eval: -0.4328 min: -0.5404 max: 2.7680 weight: 0.9278 eval: -0.2749 min: -0.5404 max: 2.7680 weight: 0.9693 eval: -0.4275 min: -0.5404 max: 2.7680 weight: 0.8341 eval: 0.0696 min: -0.5404 max: 2.7680 weight: 0.8459 eval: 0.0262 min: -0.5404 max: 2.7680 weight: 0.8341 eval: 0.0696 min: -0.5404 max: 2.7680 weight: 0.8269 eval: 0.0960 min: -0.5404 max: 2.7680 weight: 0.8376 eval: 0.0567 min: -0.5404 max: 2.7680 weight: 0.9664 eval: -0.4168 min: -0.5404 max: 2.7680 weight: 0.9548 eval: -0.3741 min: -0.5404 max: 2.7680 weight: 0.9603 eval: -0.3944 min: -0.5404 max: 2.7680 weight: 0.9643 eval: -0.4092 min: -0.5404 max: 2.7680 weight: 0.9433 eval: -0.3322 min: -0.5404 max: 2.7680 weight: 0.9711 eval: -0.4341 min: -0.5404 max: 2.7680 weight: 0.9649 eval: -0.4112 min: -0.5404 max: 2.7680 weight: 0.9681 eval: -0.4231 min: -0.5404 max: 2.7680 weight: 0.9732 eval: -0.4420 min: -0.5404 max: 2.7680 weight: 0.9724 eval: -0.4388 min: -0.5404 max: 2.7680 weight: 0.9156 eval: -0.2303 min: -0.5404 max: 2.7680 weight: 0.8978 eval: -0.1648 min: -0.5404 max: 2.7680 weight: 0.9309 eval: -0.2863 min: -0.5404 max: 2.7680 weight: 0.9363 eval: -0.3064 min: -0.5404 max: 2.7680 weight: 0.8474 eval: 0.0204 min: -0.5404 max: 2.7680 weight: 0.9304 eval: -0.2845 min: -0.5404 max: 2.7680 weight: 0.9055 eval: -0.1932 min: -0.5404 max: 2.7680 weight: 0.9438 eval: -0.3337 min: -0.5404 max: 2.7680 weight: 0.9486 eval: -0.3516 min: -0.5404 max: 2.7680 weight: 0.8526 eval: 0.0016 min: -0.5404 max: 2.7680 weight: 0.9643 eval: -0.4092 min: -0.5404 max: 2.7680 weight: 0.9742 eval: -0.4455 min: -0.5404 max: 2.7680 weight: 0.9603 eval: -0.3944 min: -0.5404 max: 2.7680 weight: 0.9617 eval: -0.3996 min: -0.5404 max: 2.7680 weight: 0.9664 eval: -0.4168 min: -0.5404 max: 2.7680 weight: 0.9384 eval: -0.3139 min: -0.5404 max: 2.7680 weight: 0.9426 eval: -0.3294 min: -0.5404 max: 2.7680 weight: 0.9425 eval: -0.3291 min: -0.5404 max: 2.7680 weight: 0.9366 eval: -0.3075 min: -0.5404 max: 2.7680 weight: 0.9370 eval: -0.3090 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.8996 eval: -0.1713 min: -0.5404 max: 2.7680 weight: 0.9782 eval: -0.4603 min: -0.5404 max: 2.7680 weight: 1.0000 eval: -0.5404 min: -0.5404 max: 2.7680 weight: 0.9407 eval: -0.3225 min: -0.5404 max: 2.7680 weight: 0.8966 eval: -0.1603 min: -0.5404 max: 2.7680 weight: 0.9253 eval: -0.2658 min: -0.5404 max: 2.7680 weight: 0.9080 eval: -0.2024 min: -0.5404 max: 2.7680 weight: 0.9103 eval: -0.2105 min: -0.5404 max: 2.7680 weight: 0.9497 eval: -0.3554 min: -0.5404 max: 2.7680 weight: 0.9077 eval: -0.2011 min: -0.5404 max: 2.7680 weight: 0.9340 eval: -0.2978 min: -0.5404 max: 2.7680 weight: 0.9058 eval: -0.1942 min: -0.5404 max: 2.7680 weight: 0.9171 eval: -0.2358 min: -0.5404 max: 2.7680 weight: 0.9056 eval: -0.1935 min: -0.5404 max: 2.7680 weight: 0.9369 eval: -0.3085 min: -0.5404 max: 2.7680 weight: 0.9166 eval: -0.2340 min: -0.5404 max: 2.7680 weight: 0.9029 eval: -0.1834 min: -0.5404 max: 2.7680 weight: 0.9518 eval: -0.3632 min: -0.5404 max: 2.7680 weight: 0.9079 eval: -0.2018 min: -0.5404 max: 2.7680 weight: 0.9314 eval: -0.2881 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.9140 eval: -0.2244 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.9634 eval: -0.4059 min: -0.5404 max: 2.7680 weight: 0.9593 eval: -0.3909 min: -0.5404 max: 2.7680 weight: 0.9608 eval: -0.3962 min: -0.5404 max: 2.7680 weight: 0.9533 eval: -0.3688 min: -0.5404 max: 2.7680 weight: 0.9691 eval: -0.4269 min: -0.5404 max: 2.7680 weight: 0.9425 eval: -0.3292 min: -0.5404 max: 2.7680 weight: 0.9269 eval: -0.2718 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.5056 eval: 1.2771 min: -0.5404 max: 2.7680 weight: 0.4773 eval: 1.3812 min: -0.5404 max: 2.7680 weight: 0.4442 eval: 1.5027 min: -0.5404 max: 2.7680 weight: 0.4647 eval: 1.4275 min: -0.5404 max: 2.7680 weight: 0.4670 eval: 1.4190 min: -0.5404 max: 2.7680 weight: 0.4588 eval: 1.4491 min: -0.5404 max: 2.7680 weight: 0.2909 eval: 2.0665 min: -0.5404 max: 2.7680 weight: 0.2370 eval: 2.2644 min: -0.5404 max: 2.7680 weight: 0.1000 eval: 2.7680 min: -0.5404 max: 2.7680 weight: 0.1564 eval: 2.5606 min: -0.5404 max: 2.7680 weight: 0.8759 eval: -0.0842 min: -0.5404 max: 2.7680 weight: 0.8623 eval: -0.0343 min: -0.5404 max: 2.7680 weight: 0.9273 eval: -0.2731 min: -0.5404 max: 2.7680 weight: 0.7773 eval: 0.2782 min: -0.5404 max: 2.7680 weight: 0.7817 eval: 0.2620 min: -0.5404 max: 2.7680 weight: 0.9308 eval: -0.2861 min: -0.5404 max: 2.7680 weight: 0.9750 eval: -0.4486 min: -0.5404 max: 2.7680 weight: 0.9238 eval: -0.2604 min: -0.5404 max: 2.7680 weight: 0.9096 eval: -0.2081 min: -0.5404 max: 2.7680 weight: 0.9447 eval: -0.3373 min: -0.5404 max: 2.7680 weight: 0.8762 eval: -0.0853 min: -0.5404 max: 2.7680 weight: 0.8761 eval: -0.0851 min: -0.5404 max: 2.7680 weight: 0.9381 eval: -0.3130 min: -0.5404 max: 2.7680 weight: 0.8738 eval: -0.0764 min: -0.5404 max: 2.7680 weight: 0.9054 eval: -0.1928 min: -0.5404 max: 2.7680 weight: 0.8976 eval: -0.1641 min: -0.5404 max: 2.7680 weight: 0.9463 eval: -0.3432 min: -0.5404 max: 2.7680 weight: 0.9406 eval: -0.3220 min: -0.5404 max: 2.7680 Adding 9357 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: -439.4094, CN propb: -439.4094 weights: 0.4188 constraints: 456 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 456 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 456 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 8901 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 8901 # 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 9357 # command: