From mailer@bialko.llnl.gov Sun Aug 18 09:43:29 2002 Date: Sun, 18 Aug 2002 09:43:23 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 09:15:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_284972_27083 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181SS001_1 Current information on models submitted in prediction T0181SS001 MODEL_INDEX PIN CODE DATE E-mail T0181SS001_1 PIN_284972_27083 4069-6308-1312 08/18/02 09:15:29 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0181 MODEL_INDEX PIN CODE DATE E-mail T0181SS001_1 PIN_284972_27083 4069-6308-1312 08/18/02 09:15:29 karplus@cse.ucsc.edu For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0181 AUTHOR 4069-6308-1312 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 111 # Number of residues with nonzero confidence: 111 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0181 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0181.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0181.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0181.t2k.str.rdb (weight 1.53983) METHOD T0181.t2k.alpha.rdb (weight 0.659012) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0181.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0181 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0181.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 2 METHOD METHOD ============================================ METHOD Comments from T0181.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0181 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0181.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 2 METHOD METHOD ============================================ METHOD Comments from T0181.t2k.str.rdb METHOD ============================================ METHOD TARGET T0181 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0181.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 2 METHOD METHOD ============================================ METHOD Comments from T0181.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0181 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-alpha-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 11 (1 ABCDEFGHIST ) METHOD The input amino acid frequencies were determined from METHOD alignment T0181.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 2 METHOD METHOD ============================================ MODEL 1 M C 0.90 S C 0.78 T C 0.68 V C 0.56 T E 0.54 K E 0.71 Y E 0.76 F E 0.77 Y E 0.71 K C 0.52 G C 0.73 E C 0.80 N C 0.81 T C 0.61 D E 0.62 L E 0.89 I E 0.91 V E 0.91 F E 0.87 A E 0.66 A C 0.68 S C 0.85 E C 0.73 E H 0.51 L H 0.62 V H 0.74 D H 0.77 E H 0.76 Y H 0.69 L H 0.52 K C 0.58 N C 0.84 P C 0.76 S C 0.73 I C 0.64 G C 0.64 K C 0.50 L H 0.71 S H 0.77 E H 0.71 V H 0.66 V H 0.50 E H 0.41 L E 0.45 F E 0.65 E E 0.73 V E 0.76 F E 0.75 T E 0.54 P C 0.68 Q C 0.81 D C 0.86 G C 0.86 R C 0.81 G C 0.82 A C 0.77 E C 0.65 G C 0.59 E C 0.46 L H 0.35 G H 0.37 A H 0.45 A H 0.49 S H 0.48 K H 0.83 A H 0.84 Q H 0.86 V H 0.84 E H 0.81 N H 0.74 E H 0.66 F C 0.50 G C 0.74 K C 0.71 G C 0.64 K C 0.52 K H 0.45 I H 0.82 E H 0.90 E H 0.91 V H 0.93 I H 0.94 D H 0.94 L H 0.94 I H 0.94 L H 0.91 R H 0.78 N C 0.61 G C 0.90 K C 0.87 P C 0.80 N C 0.82 S C 0.76 T C 0.68 T C 0.57 S C 0.53 S C 0.49 L C 0.42 K C 0.45 T C 0.54 K C 0.71 G C 0.80 G C 0.80 N C 0.73 A C 0.65 G C 0.66 T C 0.56 K C 0.50 A C 0.54 Y C 0.72 N C 0.92 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Sep 9 17:19:09 2002 Date: Mon, 9 Sep 2002 17:19:03 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Sep 9 16:51:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_718686_44870 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181TS001_1 Current information on models submitted in prediction T0181TS001 MODEL_INDEX PIN CODE DATE E-mail T0181TS001_1 PIN_718686_44870 4069-6308-1312 09/09/02 16:51:07 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0181 MODEL_INDEX PIN CODE DATE E-mail T0181TS001_1 PIN_718686_44870 4069-6308-1312 09/09/02 16:51:07 karplus@cse.ucsc.edu T0181SS001_1 PIN_284972_27083 4069-6308-1312 08/18/02 09:15:29 karplus@cse.ucsc.edu For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0181 AUTHOR 4069-6308-1312 # Reading MODEL 1 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0181 # Total number of residues in target: 111 # Total number of residues in model: 111 # Total number of atoms in model: 845 # Number of atoms with 1.0 occupancy: 845 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0181 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 1 PARENT N/A ATOM 1 N MET 1 -7.506 -9.941 1.363 1.00 0.00 ATOM 2 CA MET 1 -6.913 -11.031 0.543 1.00 0.00 ATOM 3 CB MET 1 -6.139 -10.448 -0.636 1.00 0.00 ATOM 4 CG MET 1 -6.427 -11.150 -1.963 1.00 0.00 ATOM 5 SD MET 1 -7.613 -10.169 -2.983 1.00 0.00 ATOM 6 CE MET 1 -7.098 -10.734 -4.823 1.00 0.00 ATOM 7 O MET 1 -6.192 -11.948 2.616 1.00 0.00 ATOM 8 C MET 1 -5.959 -11.819 1.419 1.00 0.00 ATOM 9 N SER 2 -4.850 -12.256 0.813 1.00 0.00 ATOM 10 CA SER 2 -3.836 -13.023 1.571 1.00 0.00 ATOM 11 CB SER 2 -2.931 -13.802 0.611 1.00 0.00 ATOM 12 OG SER 2 -2.001 -14.607 1.320 1.00 0.00 ATOM 13 O SER 2 -3.111 -10.840 2.313 1.00 0.00 ATOM 14 C SER 2 -3.118 -12.071 2.533 1.00 0.00 ATOM 15 N THR 3 -2.539 -12.604 3.611 1.00 0.00 ATOM 16 CA THR 3 -1.870 -11.759 4.596 1.00 0.00 ATOM 17 CB THR 3 -1.470 -12.532 5.877 1.00 0.00 ATOM 18 CG2 THR 3 -0.797 -11.640 6.932 1.00 0.00 ATOM 19 OG1 THR 3 -2.655 -13.145 6.447 1.00 0.00 ATOM 20 O THR 3 -0.537 -9.853 4.068 1.00 0.00 ATOM 21 C THR 3 -0.701 -11.056 3.919 1.00 0.00 ATOM 22 N VAL 4 0.070 -11.813 3.152 1.00 0.00 ATOM 23 CA VAL 4 1.216 -11.221 2.443 1.00 0.00 ATOM 24 CB VAL 4 2.094 -12.264 1.763 1.00 0.00 ATOM 25 CG1 VAL 4 2.616 -13.293 2.781 1.00 0.00 ATOM 26 CG2 VAL 4 1.317 -12.973 0.659 1.00 0.00 ATOM 27 O VAL 4 1.625 -9.411 0.930 1.00 0.00 ATOM 28 C VAL 4 0.767 -10.177 1.413 1.00 0.00 ATOM 29 N THR 5 -0.520 -10.120 1.090 1.00 0.00 ATOM 30 CA THR 5 -0.991 -9.131 0.111 1.00 0.00 ATOM 31 CB THR 5 -1.914 -9.818 -0.921 1.00 0.00 ATOM 32 CG2 THR 5 -1.257 -11.039 -1.549 1.00 0.00 ATOM 33 OG1 THR 5 -3.108 -10.224 -0.243 1.00 0.00 ATOM 34 O THR 5 -2.428 -7.234 0.004 1.00 0.00 ATOM 35 C THR 5 -1.775 -7.991 0.737 1.00 0.00 ATOM 36 N LYS 6 -1.769 -7.826 2.042 1.00 0.00 ATOM 37 CA LYS 6 -2.520 -6.742 2.695 1.00 0.00 ATOM 38 CB LYS 6 -3.879 -6.806 2.663 1.00 0.00 ATOM 39 CG LYS 6 -4.634 -5.768 3.478 1.00 0.00 ATOM 40 CD LYS 6 -6.121 -5.819 3.084 1.00 0.00 ATOM 41 CE LYS 6 -6.352 -5.425 1.633 1.00 0.00 ATOM 42 NZ LYS 6 -5.717 -4.079 1.348 1.00 0.00 ATOM 43 O LYS 6 -1.516 -6.374 4.883 1.00 0.00 ATOM 44 C LYS 6 -1.690 -6.003 3.710 1.00 0.00 ATOM 45 N TYR 7 -1.068 -4.889 3.306 1.00 0.00 ATOM 46 CA TYR 7 -0.148 -4.171 4.187 1.00 0.00 ATOM 47 CB TYR 7 1.324 -4.272 3.649 1.00 0.00 ATOM 48 CG TYR 7 1.845 -5.666 3.957 1.00 0.00 ATOM 49 CD1 TYR 7 2.657 -5.856 5.062 1.00 0.00 ATOM 50 CD2 TYR 7 1.525 -6.772 3.178 1.00 0.00 ATOM 51 CE1 TYR 7 3.153 -7.095 5.405 1.00 0.00 ATOM 52 CE2 TYR 7 2.017 -8.036 3.503 1.00 0.00 ATOM 53 CZ TYR 7 2.818 -8.184 4.607 1.00 0.00 ATOM 54 OH TYR 7 3.348 -9.399 5.004 1.00 0.00 ATOM 55 O TYR 7 -0.879 -2.162 3.099 1.00 0.00 ATOM 56 C TYR 7 -0.471 -2.680 4.147 1.00 0.00 ATOM 57 N PHE 8 -0.279 -2.011 5.291 1.00 0.00 ATOM 58 CA PHE 8 -0.503 -0.567 5.311 1.00 0.00 ATOM 59 CB PHE 8 -1.892 -0.249 5.868 1.00 0.00 ATOM 60 CG PHE 8 -2.077 -0.658 7.304 1.00 0.00 ATOM 61 CD1 PHE 8 -1.803 0.227 8.332 1.00 0.00 ATOM 62 CD2 PHE 8 -2.525 -1.930 7.622 1.00 0.00 ATOM 63 CE1 PHE 8 -1.975 -0.151 9.651 1.00 0.00 ATOM 64 CE2 PHE 8 -2.694 -2.306 8.942 1.00 0.00 ATOM 65 CZ PHE 8 -2.422 -1.423 9.953 1.00 0.00 ATOM 66 O PHE 8 1.220 -0.492 7.028 1.00 0.00 ATOM 67 C PHE 8 0.538 0.115 6.187 1.00 0.00 ATOM 68 N TYR 9 0.658 1.436 5.998 1.00 0.00 ATOM 69 CA TYR 9 1.478 2.264 6.871 1.00 0.00 ATOM 70 CB TYR 9 2.724 2.692 6.109 1.00 0.00 ATOM 71 CG TYR 9 3.609 3.667 6.850 1.00 0.00 ATOM 72 CD1 TYR 9 3.852 3.502 8.217 1.00 0.00 ATOM 73 CD2 TYR 9 4.210 4.724 6.175 1.00 0.00 ATOM 74 CE1 TYR 9 4.665 4.412 8.878 1.00 0.00 ATOM 75 CE2 TYR 9 5.043 5.614 6.842 1.00 0.00 ATOM 76 CZ TYR 9 5.246 5.449 8.187 1.00 0.00 ATOM 77 OH TYR 9 6.053 6.337 8.870 1.00 0.00 ATOM 78 O TYR 9 -0.135 3.961 6.428 1.00 0.00 ATOM 79 C TYR 9 0.687 3.536 7.239 1.00 0.00 ATOM 80 N LYS 10 0.982 4.052 8.421 1.00 0.00 ATOM 81 CA LYS 10 0.342 5.304 8.877 1.00 0.00 ATOM 82 CB LYS 10 0.329 5.709 10.093 1.00 0.00 ATOM 83 CG LYS 10 0.309 7.223 10.240 1.00 0.00 ATOM 84 CD LYS 10 0.109 7.642 11.699 1.00 0.00 ATOM 85 CE LYS 10 -0.089 9.157 11.835 1.00 0.00 ATOM 86 NZ LYS 10 -0.276 9.586 13.263 1.00 0.00 ATOM 87 O LYS 10 2.118 6.412 7.745 1.00 0.00 ATOM 88 C LYS 10 0.918 6.424 8.023 1.00 0.00 ATOM 89 N GLY 11 0.071 7.343 7.550 1.00 0.00 ATOM 90 CA GLY 11 0.577 8.399 6.659 1.00 0.00 ATOM 91 O GLY 11 -1.536 9.467 6.519 1.00 0.00 ATOM 92 C GLY 11 -0.339 9.614 6.744 1.00 0.00 ATOM 93 N GLU 12 0.243 10.773 7.034 1.00 0.00 ATOM 94 CA GLU 12 -0.557 11.992 7.188 1.00 0.00 ATOM 95 CB GLU 12 -1.100 12.449 5.831 1.00 0.00 ATOM 96 CG GLU 12 -0.023 12.829 4.827 1.00 0.00 ATOM 97 CD GLU 12 -0.595 13.226 3.482 1.00 0.00 ATOM 98 OE1 GLU 12 -1.832 13.154 3.318 1.00 0.00 ATOM 99 OE2 GLU 12 0.193 13.607 2.590 1.00 0.00 ATOM 100 O GLU 12 -1.489 11.146 9.193 1.00 0.00 ATOM 101 C GLU 12 -1.714 11.704 8.116 1.00 0.00 ATOM 102 N ASN 13 -2.942 12.028 7.721 1.00 0.00 ATOM 103 CA ASN 13 -4.073 11.769 8.602 1.00 0.00 ATOM 104 CB ASN 13 -5.162 12.823 8.401 1.00 0.00 ATOM 105 CG ASN 13 -4.746 14.193 8.897 1.00 0.00 ATOM 106 ND2 ASN 13 -4.553 15.124 7.969 1.00 0.00 ATOM 107 OD1 ASN 13 -4.602 14.411 10.101 1.00 0.00 ATOM 108 O ASN 13 -5.720 10.123 9.067 1.00 0.00 ATOM 109 C ASN 13 -4.731 10.416 8.381 1.00 0.00 ATOM 110 N THR 14 -4.175 9.555 7.533 1.00 0.00 ATOM 111 CA THR 14 -4.773 8.240 7.313 1.00 0.00 ATOM 112 CB THR 14 -5.649 8.223 6.046 1.00 0.00 ATOM 113 CG2 THR 14 -6.343 6.878 5.900 1.00 0.00 ATOM 114 OG1 THR 14 -6.642 9.251 6.131 1.00 0.00 ATOM 115 O THR 14 -2.845 6.964 7.994 1.00 0.00 ATOM 116 C THR 14 -3.713 7.148 7.146 1.00 0.00 ATOM 117 N ASP 15 -3.789 6.448 6.011 1.00 0.00 ATOM 118 CA ASP 15 -2.863 5.357 5.747 1.00 0.00 ATOM 119 CB ASP 15 -3.509 4.002 6.020 1.00 0.00 ATOM 120 CG ASP 15 -3.824 3.819 7.476 1.00 0.00 ATOM 121 OD1 ASP 15 -3.061 4.320 8.325 1.00 0.00 ATOM 122 OD2 ASP 15 -4.837 3.171 7.783 1.00 0.00 ATOM 123 O ASP 15 -3.566 5.526 3.457 1.00 0.00 ATOM 124 C ASP 15 -2.723 5.112 4.250 1.00 0.00 ATOM 125 N LEU 16 -1.633 4.449 3.901 1.00 0.00 ATOM 126 CA LEU 16 -1.402 3.985 2.533 1.00 0.00 ATOM 127 CB LEU 16 -0.056 4.501 2.059 1.00 0.00 ATOM 128 CG LEU 16 0.465 4.025 0.702 1.00 0.00 ATOM 129 CD1 LEU 16 -0.306 4.718 -0.397 1.00 0.00 ATOM 130 CD2 LEU 16 1.955 4.334 0.573 1.00 0.00 ATOM 131 O LEU 16 -1.011 1.877 3.528 1.00 0.00 ATOM 132 C LEU 16 -1.581 2.461 2.607 1.00 0.00 ATOM 133 N ILE 17 -2.359 1.899 1.700 1.00 0.00 ATOM 134 CA ILE 17 -2.616 0.451 1.784 1.00 0.00 ATOM 135 CB ILE 17 -3.976 0.156 2.441 1.00 0.00 ATOM 136 CG1 ILE 17 -4.069 -1.321 2.835 1.00 0.00 ATOM 137 CG2 ILE 17 -5.111 0.469 1.476 1.00 0.00 ATOM 138 CD1 ILE 17 -5.234 -1.635 3.747 1.00 0.00 ATOM 139 O ILE 17 -2.919 0.485 -0.588 1.00 0.00 ATOM 140 C ILE 17 -2.620 -0.179 0.404 1.00 0.00 ATOM 141 N VAL 18 -2.389 -1.477 0.313 1.00 0.00 ATOM 142 CA VAL 18 -2.465 -2.205 -0.945 1.00 0.00 ATOM 143 CB VAL 18 -1.044 -2.479 -1.521 1.00 0.00 ATOM 144 CG1 VAL 18 -0.270 -1.172 -1.663 1.00 0.00 ATOM 145 CG2 VAL 18 -0.291 -3.452 -0.635 1.00 0.00 ATOM 146 O VAL 18 -3.224 -4.159 0.213 1.00 0.00 ATOM 147 C VAL 18 -3.392 -3.411 -0.747 1.00 0.00 ATOM 148 N PHE 19 -4.362 -3.561 -1.632 1.00 0.00 ATOM 149 CA PHE 19 -5.304 -4.676 -1.592 1.00 0.00 ATOM 150 CB PHE 19 -6.737 -4.163 -1.436 1.00 0.00 ATOM 151 CG PHE 19 -7.753 -5.252 -1.247 1.00 0.00 ATOM 152 CD1 PHE 19 -7.903 -5.875 -0.021 1.00 0.00 ATOM 153 CD2 PHE 19 -8.561 -5.653 -2.295 1.00 0.00 ATOM 154 CE1 PHE 19 -8.839 -6.876 0.152 1.00 0.00 ATOM 155 CE2 PHE 19 -9.497 -6.657 -2.122 1.00 0.00 ATOM 156 CZ PHE 19 -9.638 -7.267 -0.905 1.00 0.00 ATOM 157 O PHE 19 -5.700 -4.990 -3.933 1.00 0.00 ATOM 158 C PHE 19 -5.152 -5.435 -2.917 1.00 0.00 ATOM 159 N ALA 20 -4.545 -6.573 -2.572 1.00 0.00 ATOM 160 CA ALA 20 -4.118 -7.580 -3.546 1.00 0.00 ATOM 161 CB ALA 20 -2.848 -7.128 -4.290 1.00 0.00 ATOM 162 O ALA 20 -3.826 -9.021 -1.659 1.00 0.00 ATOM 163 C ALA 20 -3.896 -8.929 -2.890 1.00 0.00 ATOM 164 N ALA 21 -3.771 -9.954 -3.731 1.00 0.00 ATOM 165 CA ALA 21 -3.546 -11.334 -3.289 1.00 0.00 ATOM 166 CB ALA 21 -3.705 -12.289 -4.462 1.00 0.00 ATOM 167 O ALA 21 -2.169 -12.419 -1.652 1.00 0.00 ATOM 168 C ALA 21 -2.222 -11.595 -2.572 1.00 0.00 ATOM 169 N SER 22 -1.184 -10.776 -3.580 1.00 0.00 ATOM 170 CA SER 22 0.246 -10.903 -3.314 1.00 0.00 ATOM 171 CB SER 22 0.831 -12.043 -4.156 1.00 0.00 ATOM 172 OG SER 22 0.653 -11.747 -5.541 1.00 0.00 ATOM 173 O SER 22 0.338 -8.718 -4.238 1.00 0.00 ATOM 174 C SER 22 0.914 -9.557 -3.556 1.00 0.00 ATOM 175 N GLU 23 2.091 -9.348 -2.955 1.00 0.00 ATOM 176 CA GLU 23 2.781 -8.081 -3.168 1.00 0.00 ATOM 177 CB GLU 23 3.925 -7.957 -2.182 1.00 0.00 ATOM 178 CG GLU 23 3.478 -7.953 -0.739 1.00 0.00 ATOM 179 CD GLU 23 3.659 -6.670 0.001 1.00 0.00 ATOM 180 OE1 GLU 23 3.375 -5.561 -0.521 1.00 0.00 ATOM 181 OE2 GLU 23 4.149 -6.743 1.159 1.00 0.00 ATOM 182 O GLU 23 3.239 -6.835 -5.133 1.00 0.00 ATOM 183 C GLU 23 3.229 -7.963 -4.618 1.00 0.00 ATOM 184 N GLU 24 3.632 -9.072 -5.250 1.00 0.00 ATOM 185 CA GLU 24 4.067 -8.941 -6.664 1.00 0.00 ATOM 186 CB GLU 24 4.332 -10.351 -7.210 1.00 0.00 ATOM 187 CG GLU 24 5.623 -10.906 -6.578 1.00 0.00 ATOM 188 CD GLU 24 5.410 -11.609 -5.265 1.00 0.00 ATOM 189 OE1 GLU 24 4.207 -11.598 -4.745 1.00 0.00 ATOM 190 OE2 GLU 24 6.304 -12.169 -4.711 1.00 0.00 ATOM 191 O GLU 24 3.058 -7.589 -8.375 1.00 0.00 ATOM 192 C GLU 24 2.897 -8.434 -7.505 1.00 0.00 ATOM 193 N LEU 25 1.709 -8.984 -7.303 1.00 0.00 ATOM 194 CA LEU 25 0.533 -8.593 -8.058 1.00 0.00 ATOM 195 CB LEU 25 -0.749 -9.107 -7.138 1.00 0.00 ATOM 196 CG LEU 25 -2.003 -9.724 -7.646 1.00 0.00 ATOM 197 CD1 LEU 25 -1.756 -11.016 -8.397 1.00 0.00 ATOM 198 CD2 LEU 25 -2.941 -9.898 -6.484 1.00 0.00 ATOM 199 O LEU 25 -0.017 -6.282 -8.705 1.00 0.00 ATOM 200 C LEU 25 0.266 -7.122 -7.817 1.00 0.00 ATOM 201 N VAL 26 0.287 -6.760 -6.540 1.00 0.00 ATOM 202 CA VAL 26 -0.024 -5.386 -6.127 1.00 0.00 ATOM 203 CB VAL 26 -0.374 -5.437 -4.553 1.00 0.00 ATOM 204 CG1 VAL 26 0.916 -5.603 -3.768 1.00 0.00 ATOM 205 CG2 VAL 26 -1.119 -4.172 -4.129 1.00 0.00 ATOM 206 O VAL 26 0.627 -3.119 -6.549 1.00 0.00 ATOM 207 C VAL 26 0.947 -4.303 -6.607 1.00 0.00 ATOM 208 N ASP 27 2.120 -4.719 -7.080 1.00 0.00 ATOM 209 CA ASP 27 3.141 -3.812 -7.600 1.00 0.00 ATOM 210 CB ASP 27 4.558 -4.346 -7.287 1.00 0.00 ATOM 211 CG ASP 27 4.822 -5.766 -7.859 1.00 0.00 ATOM 212 OD1 ASP 27 4.303 -6.092 -8.937 1.00 0.00 ATOM 213 OD2 ASP 27 5.607 -6.540 -7.264 1.00 0.00 ATOM 214 O ASP 27 3.892 -3.062 -9.783 1.00 0.00 ATOM 215 C ASP 27 3.013 -3.640 -9.133 1.00 0.00 ATOM 216 N GLU 28 1.904 -4.154 -9.677 1.00 0.00 ATOM 217 CA GLU 28 1.556 -4.099 -11.103 1.00 0.00 ATOM 218 CB GLU 28 0.934 -2.669 -11.316 1.00 0.00 ATOM 219 CG GLU 28 0.252 -2.390 -12.659 1.00 0.00 ATOM 220 CD GLU 28 -0.560 -1.088 -12.623 1.00 0.00 ATOM 221 OE1 GLU 28 -0.026 -0.045 -12.158 1.00 0.00 ATOM 222 OE2 GLU 28 -1.734 -1.106 -13.063 1.00 0.00 ATOM 223 O GLU 28 2.291 -4.910 -13.249 1.00 0.00 ATOM 224 C GLU 28 2.305 -5.064 -12.027 1.00 0.00 ATOM 225 N TYR 29 2.959 -6.065 -11.466 1.00 0.00 ATOM 226 CA TYR 29 3.661 -7.072 -12.244 1.00 0.00 ATOM 227 CB TYR 29 4.424 -7.988 -11.295 1.00 0.00 ATOM 228 CG TYR 29 4.841 -9.281 -11.923 1.00 0.00 ATOM 229 CD1 TYR 29 5.806 -9.310 -12.903 1.00 0.00 ATOM 230 CD2 TYR 29 4.258 -10.481 -11.544 1.00 0.00 ATOM 231 CE1 TYR 29 6.184 -10.517 -13.499 1.00 0.00 ATOM 232 CE2 TYR 29 4.634 -11.685 -12.129 1.00 0.00 ATOM 233 CZ TYR 29 5.598 -11.689 -13.099 1.00 0.00 ATOM 234 OH TYR 29 6.015 -12.858 -13.648 1.00 0.00 ATOM 235 O TYR 29 2.817 -8.137 -14.226 1.00 0.00 ATOM 236 C TYR 29 2.640 -7.899 -13.036 1.00 0.00 ATOM 237 N LEU 30 1.580 -8.320 -12.356 1.00 0.00 ATOM 238 CA LEU 30 0.520 -9.133 -12.947 1.00 0.00 ATOM 239 CB LEU 30 -0.284 -9.719 -11.709 1.00 0.00 ATOM 240 CG LEU 30 -1.520 -10.532 -12.076 1.00 0.00 ATOM 241 CD1 LEU 30 -1.050 -11.814 -12.710 1.00 0.00 ATOM 242 CD2 LEU 30 -2.335 -10.862 -10.784 1.00 0.00 ATOM 243 O LEU 30 -0.719 -8.938 -15.014 1.00 0.00 ATOM 244 C LEU 30 -0.291 -8.367 -14.002 1.00 0.00 ATOM 245 N LYS 31 -0.474 -7.072 -13.767 1.00 0.00 ATOM 246 CA LYS 31 -1.187 -6.194 -14.688 1.00 0.00 ATOM 247 CB LYS 31 -1.422 -4.829 -14.019 1.00 0.00 ATOM 248 CG LYS 31 -2.318 -3.869 -14.778 1.00 0.00 ATOM 249 CD LYS 31 -3.733 -4.435 -14.926 1.00 0.00 ATOM 250 CE LYS 31 -4.630 -3.522 -15.777 1.00 0.00 ATOM 251 NZ LYS 31 -6.019 -4.073 -15.993 1.00 0.00 ATOM 252 O LYS 31 -0.901 -5.937 -17.064 1.00 0.00 ATOM 253 C LYS 31 -0.352 -6.044 -15.977 1.00 0.00 ATOM 254 N ASN 32 0.979 -6.086 -15.826 1.00 0.00 ATOM 255 CA ASN 32 1.885 -5.978 -16.980 1.00 0.00 ATOM 256 CB ASN 32 2.057 -4.485 -17.399 1.00 0.00 ATOM 257 CG ASN 32 0.725 -3.841 -17.772 1.00 0.00 ATOM 258 ND2 ASN 32 0.508 -2.573 -17.429 1.00 0.00 ATOM 259 OD1 ASN 32 -0.110 -4.509 -18.381 1.00 0.00 ATOM 260 O ASN 32 3.618 -7.317 -17.951 1.00 0.00 ATOM 261 C ASN 32 2.655 -7.274 -17.186 1.00 0.00 ATOM 262 N PRO 33 2.222 -8.339 -16.521 1.00 0.00 ATOM 263 CA PRO 33 2.951 -9.618 -16.628 1.00 0.00 ATOM 264 CB PRO 33 1.706 -10.531 -15.854 1.00 0.00 ATOM 265 CG PRO 33 0.486 -9.733 -16.361 1.00 0.00 ATOM 266 CD PRO 33 0.978 -8.686 -17.305 1.00 0.00 ATOM 267 O PRO 33 3.947 -10.896 -18.385 1.00 0.00 ATOM 268 C PRO 33 3.027 -10.169 -18.035 1.00 0.00 ATOM 269 N SER 34 2.063 -9.844 -18.894 1.00 0.00 ATOM 270 CA SER 34 2.141 -10.267 -20.284 1.00 0.00 ATOM 271 CB SER 34 0.738 -10.696 -20.741 1.00 0.00 ATOM 272 OG SER 34 0.424 -11.824 -19.968 1.00 0.00 ATOM 273 O SER 34 2.604 -9.467 -22.490 1.00 0.00 ATOM 274 C SER 34 2.672 -9.268 -21.281 1.00 0.00 ATOM 275 N ILE 35 3.215 -8.156 -20.826 1.00 0.00 ATOM 276 CA ILE 35 3.760 -7.128 -21.742 1.00 0.00 ATOM 277 CB ILE 35 2.956 -5.866 -21.601 1.00 0.00 ATOM 278 CG1 ILE 35 1.520 -6.165 -22.027 1.00 0.00 ATOM 279 CG2 ILE 35 3.557 -4.773 -22.472 1.00 0.00 ATOM 280 CD1 ILE 35 0.562 -5.014 -21.821 1.00 0.00 ATOM 281 O ILE 35 5.498 -6.605 -20.150 1.00 0.00 ATOM 282 C ILE 35 5.226 -6.881 -21.341 1.00 0.00 ATOM 283 N GLY 36 6.157 -7.001 -22.289 1.00 0.00 ATOM 284 CA GLY 36 7.568 -6.795 -21.968 1.00 0.00 ATOM 285 O GLY 36 8.807 -5.016 -20.962 1.00 0.00 ATOM 286 C GLY 36 7.869 -5.334 -21.706 1.00 0.00 ATOM 287 N LYS 37 7.106 -4.433 -22.308 1.00 0.00 ATOM 288 CA LYS 37 7.337 -3.005 -22.137 1.00 0.00 ATOM 289 CB LYS 37 7.164 -2.444 -23.764 1.00 0.00 ATOM 290 CG LYS 37 7.028 -3.609 -24.726 1.00 0.00 ATOM 291 CD LYS 37 8.244 -3.691 -25.620 1.00 0.00 ATOM 292 CE LYS 37 7.963 -4.155 -27.057 1.00 0.00 ATOM 293 NZ LYS 37 7.733 -3.150 -28.147 1.00 0.00 ATOM 294 O LYS 37 6.511 -1.195 -20.802 1.00 0.00 ATOM 295 C LYS 37 6.408 -2.385 -21.089 1.00 0.00 ATOM 296 N LEU 38 5.522 -3.193 -20.516 1.00 0.00 ATOM 297 CA LEU 38 4.542 -2.699 -19.544 1.00 0.00 ATOM 298 CB LEU 38 3.116 -2.864 -20.298 1.00 0.00 ATOM 299 CG LEU 38 3.094 -2.283 -21.709 1.00 0.00 ATOM 300 CD1 LEU 38 1.687 -2.354 -22.280 1.00 0.00 ATOM 301 CD2 LEU 38 3.536 -0.830 -21.645 1.00 0.00 ATOM 302 O LEU 38 4.077 -2.490 -17.201 1.00 0.00 ATOM 303 C LEU 38 4.881 -2.862 -18.061 1.00 0.00 ATOM 304 N SER 39 6.040 -3.420 -17.742 1.00 0.00 ATOM 305 CA SER 39 6.450 -3.631 -16.357 1.00 0.00 ATOM 306 CB SER 39 7.555 -4.706 -16.302 1.00 0.00 ATOM 307 OG SER 39 8.619 -4.370 -17.174 1.00 0.00 ATOM 308 O SER 39 6.972 -2.370 -14.393 1.00 0.00 ATOM 309 C SER 39 6.825 -2.351 -15.613 1.00 0.00 ATOM 310 N GLU 40 7.011 -1.250 -16.346 1.00 0.00 ATOM 311 CA GLU 40 7.350 0.025 -15.739 1.00 0.00 ATOM 312 CB GLU 40 7.780 0.853 -17.241 1.00 0.00 ATOM 313 CG GLU 40 8.160 0.048 -18.458 1.00 0.00 ATOM 314 CD GLU 40 8.386 0.938 -19.670 1.00 0.00 ATOM 315 OE1 GLU 40 7.528 1.816 -19.932 1.00 0.00 ATOM 316 OE2 GLU 40 9.428 0.775 -20.348 1.00 0.00 ATOM 317 O GLU 40 6.427 1.656 -14.206 1.00 0.00 ATOM 318 C GLU 40 6.219 0.673 -14.906 1.00 0.00 ATOM 319 N VAL 41 5.022 0.135 -14.979 1.00 0.00 ATOM 320 CA VAL 41 3.962 0.712 -14.125 1.00 0.00 ATOM 321 CB VAL 41 2.647 0.820 -14.925 1.00 0.00 ATOM 322 CG1 VAL 41 1.571 1.475 -14.094 1.00 0.00 ATOM 323 CG2 VAL 41 2.847 1.564 -16.228 1.00 0.00 ATOM 324 O VAL 41 3.300 -1.139 -12.765 1.00 0.00 ATOM 325 C VAL 41 3.958 -0.094 -12.830 1.00 0.00 ATOM 326 N VAL 42 4.706 0.378 -11.849 1.00 0.00 ATOM 327 CA VAL 42 4.847 -0.319 -10.574 1.00 0.00 ATOM 328 CB VAL 42 6.297 -0.557 -10.135 1.00 0.00 ATOM 329 CG1 VAL 42 6.942 -1.545 -11.149 1.00 0.00 ATOM 330 CG2 VAL 42 7.110 0.712 -10.140 1.00 0.00 ATOM 331 O VAL 42 4.165 0.162 -8.292 1.00 0.00 ATOM 332 C VAL 42 4.186 0.515 -9.468 1.00 0.00 ATOM 333 N GLU 43 3.673 1.146 -7.760 1.00 0.00 ATOM 334 CA GLU 43 3.525 2.276 -6.853 1.00 0.00 ATOM 335 CB GLU 43 4.315 3.530 -7.613 1.00 0.00 ATOM 336 CG GLU 43 5.120 4.535 -6.821 1.00 0.00 ATOM 337 CD GLU 43 5.309 5.833 -7.564 1.00 0.00 ATOM 338 OE1 GLU 43 5.561 5.787 -8.787 1.00 0.00 ATOM 339 OE2 GLU 43 5.212 6.901 -6.923 1.00 0.00 ATOM 340 O GLU 43 1.577 3.401 -6.045 1.00 0.00 ATOM 341 C GLU 43 2.191 2.979 -7.026 1.00 0.00 ATOM 342 N LEU 44 1.686 3.059 -8.250 1.00 0.00 ATOM 343 CA LEU 44 0.420 3.670 -8.592 1.00 0.00 ATOM 344 CB LEU 44 0.243 3.725 -10.111 1.00 0.00 ATOM 345 CG LEU 44 1.168 4.686 -10.864 1.00 0.00 ATOM 346 CD1 LEU 44 0.974 4.549 -12.368 1.00 0.00 ATOM 347 CD2 LEU 44 0.873 6.128 -10.478 1.00 0.00 ATOM 348 O LEU 44 -1.866 3.530 -7.962 1.00 0.00 ATOM 349 C LEU 44 -0.791 2.931 -8.044 1.00 0.00 ATOM 350 N PHE 45 -0.631 1.661 -7.692 1.00 0.00 ATOM 351 CA PHE 45 -1.709 0.877 -7.127 1.00 0.00 ATOM 352 CB PHE 45 -1.379 -0.631 -7.543 1.00 0.00 ATOM 353 CG PHE 45 -2.529 -1.626 -7.271 1.00 0.00 ATOM 354 CD1 PHE 45 -3.812 -1.389 -7.764 1.00 0.00 ATOM 355 CD2 PHE 45 -2.281 -2.776 -6.537 1.00 0.00 ATOM 356 CE1 PHE 45 -4.829 -2.305 -7.515 1.00 0.00 ATOM 357 CE2 PHE 45 -3.301 -3.687 -6.293 1.00 0.00 ATOM 358 CZ PHE 45 -4.578 -3.459 -6.778 1.00 0.00 ATOM 359 O PHE 45 -3.099 0.958 -5.198 1.00 0.00 ATOM 360 C PHE 45 -1.991 1.216 -5.663 1.00 0.00 ATOM 361 N GLU 46 -0.993 1.695 -4.943 1.00 0.00 ATOM 362 CA GLU 46 -1.143 1.984 -3.520 1.00 0.00 ATOM 363 CB GLU 46 0.224 2.156 -2.861 1.00 0.00 ATOM 364 CG GLU 46 0.878 3.416 -3.219 1.00 0.00 ATOM 365 CD GLU 46 2.232 3.550 -2.593 1.00 0.00 ATOM 366 OE1 GLU 46 2.640 2.811 -1.773 1.00 0.00 ATOM 367 OE2 GLU 46 2.842 4.563 -2.841 1.00 0.00 ATOM 368 O GLU 46 -2.225 4.084 -4.009 1.00 0.00 ATOM 369 C GLU 46 -2.183 3.071 -3.311 1.00 0.00 ATOM 370 N VAL 47 -3.097 2.820 -2.380 1.00 0.00 ATOM 371 CA VAL 47 -4.228 3.698 -2.137 1.00 0.00 ATOM 372 CB VAL 47 -5.540 2.903 -2.004 1.00 0.00 ATOM 373 CG1 VAL 47 -6.697 3.835 -1.676 1.00 0.00 ATOM 374 CG2 VAL 47 -5.858 2.178 -3.304 1.00 0.00 ATOM 375 O VAL 47 -3.763 3.961 0.186 1.00 0.00 ATOM 376 C VAL 47 -4.091 4.518 -0.861 1.00 0.00 ATOM 377 N PHE 48 -4.407 5.805 -0.920 1.00 0.00 ATOM 378 CA PHE 48 -4.434 6.619 0.293 1.00 0.00 ATOM 379 CB PHE 48 -3.929 8.033 -0.000 1.00 0.00 ATOM 380 CG PHE 48 -3.931 8.938 1.199 1.00 0.00 ATOM 381 CD1 PHE 48 -2.938 8.843 2.158 1.00 0.00 ATOM 382 CD2 PHE 48 -4.926 9.885 1.366 1.00 0.00 ATOM 383 CE1 PHE 48 -2.942 9.674 3.262 1.00 0.00 ATOM 384 CE2 PHE 48 -4.928 10.719 2.470 1.00 0.00 ATOM 385 CZ PHE 48 -3.942 10.616 3.414 1.00 0.00 ATOM 386 O PHE 48 -6.801 6.975 0.020 1.00 0.00 ATOM 387 C PHE 48 -5.878 6.674 0.779 1.00 0.00 ATOM 388 N THR 49 -6.121 6.298 2.027 1.00 0.00 ATOM 389 CA THR 49 -7.444 6.369 2.643 1.00 0.00 ATOM 390 CB THR 49 -7.973 4.962 2.993 1.00 0.00 ATOM 391 CG2 THR 49 -9.220 5.061 3.843 1.00 0.00 ATOM 392 OG1 THR 49 -8.296 4.251 1.792 1.00 0.00 ATOM 393 O THR 49 -6.369 7.113 4.641 1.00 0.00 ATOM 394 C THR 49 -7.270 7.337 3.822 1.00 0.00 ATOM 395 N PRO 50 -8.059 8.412 3.840 1.00 0.00 ATOM 396 CA PRO 50 -7.839 9.397 4.903 1.00 0.00 ATOM 397 CB PRO 50 -8.938 10.402 4.645 1.00 0.00 ATOM 398 CG PRO 50 -8.920 10.513 3.166 1.00 0.00 ATOM 399 CD PRO 50 -8.885 9.061 2.734 1.00 0.00 ATOM 400 O PRO 50 -9.145 7.960 6.336 1.00 0.00 ATOM 401 C PRO 50 -8.464 8.975 6.217 1.00 0.00 ATOM 402 N GLN 51 -8.309 9.867 7.206 1.00 0.00 ATOM 403 CA GLN 51 -8.861 9.595 8.519 1.00 0.00 ATOM 404 CB GLN 51 -8.777 10.781 9.469 1.00 0.00 ATOM 405 CG GLN 51 -9.827 11.901 9.309 1.00 0.00 ATOM 406 CD GLN 51 -9.510 12.897 8.194 1.00 0.00 ATOM 407 OE1 GLN 51 -8.569 12.712 7.439 1.00 0.00 ATOM 408 NE2 GLN 51 -10.296 13.963 8.106 1.00 0.00 ATOM 409 O GLN 51 -10.902 8.560 9.239 1.00 0.00 ATOM 410 C GLN 51 -10.374 9.355 8.465 1.00 0.00 ATOM 411 N ASP 52 -11.056 10.032 7.543 1.00 0.00 ATOM 412 CA ASP 52 -12.505 9.881 7.412 1.00 0.00 ATOM 413 CB ASP 52 -13.161 11.221 7.072 1.00 0.00 ATOM 414 CG ASP 52 -12.969 12.263 8.155 1.00 0.00 ATOM 415 OD1 ASP 52 -12.644 11.897 9.304 1.00 0.00 ATOM 416 OD2 ASP 52 -13.161 13.465 7.854 1.00 0.00 ATOM 417 O ASP 52 -14.136 8.696 6.111 1.00 0.00 ATOM 418 C ASP 52 -12.940 8.842 6.375 1.00 0.00 ATOM 419 N GLY 53 -11.974 8.134 5.769 1.00 0.00 ATOM 420 CA GLY 53 -12.305 7.110 4.796 1.00 0.00 ATOM 421 O GLY 53 -12.760 7.072 2.431 1.00 0.00 ATOM 422 C GLY 53 -12.359 7.732 3.403 1.00 0.00 ATOM 423 N ARG 54 -11.980 9.029 3.334 1.00 0.00 ATOM 424 CA ARG 54 -11.947 9.719 2.044 1.00 0.00 ATOM 425 CB ARG 54 -12.097 11.204 2.271 1.00 0.00 ATOM 426 CG ARG 54 -12.227 11.967 0.995 1.00 0.00 ATOM 427 CD ARG 54 -10.920 12.657 0.654 1.00 0.00 ATOM 428 NE ARG 54 -11.129 13.520 -0.501 1.00 0.00 ATOM 429 CZ ARG 54 -10.232 14.360 -1.001 1.00 0.00 ATOM 430 NH1 ARG 54 -9.027 14.434 -0.469 1.00 0.00 ATOM 431 NH2 ARG 54 -10.561 15.148 -2.025 1.00 0.00 ATOM 432 O ARG 54 -9.578 9.465 1.815 1.00 0.00 ATOM 433 C ARG 54 -10.679 9.333 1.279 1.00 0.00 ATOM 434 N GLY 55 -10.836 8.915 0.032 1.00 0.00 ATOM 435 CA GLY 55 -9.681 8.565 -0.787 1.00 0.00 ATOM 436 O GLY 55 -9.833 10.718 -1.895 1.00 0.00 ATOM 437 C GLY 55 -9.120 9.811 -1.468 1.00 0.00 ATOM 438 N ALA 56 -7.805 9.846 -1.567 1.00 0.00 ATOM 439 CA ALA 56 -7.090 10.907 -2.269 1.00 0.00 ATOM 440 CB ALA 56 -5.594 10.639 -2.255 1.00 0.00 ATOM 441 O ALA 56 -7.823 9.977 -4.380 1.00 0.00 ATOM 442 C ALA 56 -7.563 10.980 -3.721 1.00 0.00 ATOM 443 N GLU 57 -7.666 12.179 -4.248 1.00 0.00 ATOM 444 CA GLU 57 -8.033 12.495 -5.612 1.00 0.00 ATOM 445 CB GLU 57 -7.946 14.004 -5.856 1.00 0.00 ATOM 446 CG GLU 57 -8.402 14.438 -7.240 1.00 0.00 ATOM 447 CD GLU 57 -8.350 15.941 -7.424 1.00 0.00 ATOM 448 OE1 GLU 57 -7.952 16.644 -6.473 1.00 0.00 ATOM 449 OE2 GLU 57 -8.703 16.415 -8.525 1.00 0.00 ATOM 450 O GLU 57 -5.906 11.791 -6.476 1.00 0.00 ATOM 451 C GLU 57 -7.134 11.821 -6.636 1.00 0.00 ATOM 452 N GLY 58 -7.695 11.288 -7.708 1.00 0.00 ATOM 453 CA GLY 58 -6.966 10.723 -8.826 1.00 0.00 ATOM 454 O GLY 58 -5.418 8.927 -9.258 1.00 0.00 ATOM 455 C GLY 58 -6.307 9.393 -8.528 1.00 0.00 ATOM 456 N GLU 59 -6.663 8.761 -7.408 1.00 0.00 ATOM 457 CA GLU 59 -6.014 7.506 -7.035 1.00 0.00 ATOM 458 CB GLU 59 -6.407 7.317 -5.634 1.00 0.00 ATOM 459 CG GLU 59 -5.051 7.622 -5.026 1.00 0.00 ATOM 460 CD GLU 59 -4.816 6.982 -3.669 1.00 0.00 ATOM 461 OE1 GLU 59 -5.602 6.130 -3.223 1.00 0.00 ATOM 462 OE2 GLU 59 -3.812 7.337 -3.029 1.00 0.00 ATOM 463 O GLU 59 -8.166 6.544 -7.427 1.00 0.00 ATOM 464 C GLU 59 -6.968 6.336 -7.229 1.00 0.00 ATOM 465 N LEU 60 -6.441 5.113 -7.207 1.00 0.00 ATOM 466 CA LEU 60 -7.294 3.931 -7.340 1.00 0.00 ATOM 467 CB LEU 60 -6.453 2.732 -7.800 1.00 0.00 ATOM 468 CG LEU 60 -5.521 2.900 -8.999 1.00 0.00 ATOM 469 CD1 LEU 60 -4.687 1.639 -9.226 1.00 0.00 ATOM 470 CD2 LEU 60 -6.317 3.242 -10.247 1.00 0.00 ATOM 471 O LEU 60 -7.431 4.063 -4.955 1.00 0.00 ATOM 472 C LEU 60 -7.942 3.648 -5.987 1.00 0.00 ATOM 473 N GLY 61 -9.055 2.934 -5.980 1.00 0.00 ATOM 474 CA GLY 61 -9.738 2.572 -4.754 1.00 0.00 ATOM 475 O GLY 61 -8.167 0.766 -4.490 1.00 0.00 ATOM 476 C GLY 61 -9.009 1.496 -3.964 1.00 0.00 ATOM 477 N ALA 62 -9.328 1.383 -2.685 1.00 0.00 ATOM 478 CA ALA 62 -8.836 0.306 -1.821 1.00 0.00 ATOM 479 CB ALA 62 -7.798 0.843 -0.845 1.00 0.00 ATOM 480 O ALA 62 -10.547 0.392 -0.111 1.00 0.00 ATOM 481 C ALA 62 -10.109 -0.176 -1.102 1.00 0.00 ATOM 482 N ALA 63 -10.713 -1.235 -1.621 1.00 0.00 ATOM 483 CA ALA 63 -11.989 -1.734 -1.139 1.00 0.00 ATOM 484 CB ALA 63 -12.448 -2.913 -1.981 1.00 0.00 ATOM 485 O ALA 63 -13.085 -2.314 0.868 1.00 0.00 ATOM 486 C ALA 63 -11.989 -2.220 0.300 1.00 0.00 ATOM 487 N SER 64 -10.850 -2.509 0.908 1.00 0.00 ATOM 488 CA SER 64 -10.788 -2.921 2.300 1.00 0.00 ATOM 489 CB SER 64 -10.064 -4.268 2.403 1.00 0.00 ATOM 490 OG SER 64 -8.688 -4.096 2.100 1.00 0.00 ATOM 491 O SER 64 -9.686 -2.206 4.306 1.00 0.00 ATOM 492 C SER 64 -10.105 -1.891 3.188 1.00 0.00 ATOM 493 N LYS 65 -10.005 -0.650 2.721 1.00 0.00 ATOM 494 CA LYS 65 -9.424 0.414 3.520 1.00 0.00 ATOM 495 CB LYS 65 -9.185 1.671 2.654 1.00 0.00 ATOM 496 CG LYS 65 -10.412 2.065 1.777 1.00 0.00 ATOM 497 CD LYS 65 -10.189 3.308 0.893 1.00 0.00 ATOM 498 CE LYS 65 -11.460 3.645 0.091 1.00 0.00 ATOM 499 NZ LYS 65 -11.452 5.000 -0.568 1.00 0.00 ATOM 500 O LYS 65 -9.864 0.855 5.840 1.00 0.00 ATOM 501 C LYS 65 -10.329 0.698 4.712 1.00 0.00 ATOM 502 N ALA 66 -11.632 0.760 4.455 1.00 0.00 ATOM 503 CA ALA 66 -12.599 1.019 5.513 1.00 0.00 ATOM 504 CB ALA 66 -14.007 1.081 4.938 1.00 0.00 ATOM 505 O ALA 66 -12.575 0.131 7.752 1.00 0.00 ATOM 506 C ALA 66 -12.524 -0.107 6.541 1.00 0.00 ATOM 507 N GLN 67 -12.390 -1.334 6.026 1.00 0.00 ATOM 508 CA GLN 67 -12.298 -2.508 6.889 1.00 0.00 ATOM 509 CB GLN 67 -12.464 -3.789 6.071 1.00 0.00 ATOM 510 CG GLN 67 -13.867 -3.997 5.519 1.00 0.00 ATOM 511 CD GLN 67 -13.974 -5.241 4.660 1.00 0.00 ATOM 512 OE1 GLN 67 -12.991 -5.948 4.448 1.00 0.00 ATOM 513 NE2 GLN 67 -15.174 -5.509 4.158 1.00 0.00 ATOM 514 O GLN 67 -10.921 -2.826 8.826 1.00 0.00 ATOM 515 C GLN 67 -10.955 -2.601 7.616 1.00 0.00 ATOM 516 N VAL 68 -9.840 -2.419 6.914 1.00 0.00 ATOM 517 CA VAL 68 -8.514 -2.489 7.520 1.00 0.00 ATOM 518 CB VAL 68 -7.415 -2.542 6.433 1.00 0.00 ATOM 519 CG1 VAL 68 -6.043 -2.410 7.072 1.00 0.00 ATOM 520 CG2 VAL 68 -7.540 -3.835 5.645 1.00 0.00 ATOM 521 O VAL 68 -7.711 -1.400 9.469 1.00 0.00 ATOM 522 C VAL 68 -8.308 -1.293 8.414 1.00 0.00 ATOM 523 N GLU 69 -8.757 -0.096 8.052 1.00 0.00 ATOM 524 CA GLU 69 -8.607 1.061 8.898 1.00 0.00 ATOM 525 CB GLU 69 -9.189 2.298 8.269 1.00 0.00 ATOM 526 CG GLU 69 -9.041 3.553 9.235 1.00 0.00 ATOM 527 CD GLU 69 -9.789 4.723 8.631 1.00 0.00 ATOM 528 OE1 GLU 69 -10.938 4.606 8.253 1.00 0.00 ATOM 529 OE2 GLU 69 -8.980 5.695 8.459 1.00 0.00 ATOM 530 O GLU 69 -8.561 1.162 11.312 1.00 0.00 ATOM 531 C GLU 69 -9.173 0.803 10.283 1.00 0.00 ATOM 532 N ASN 70 -10.311 0.107 10.379 1.00 0.00 ATOM 533 CA ASN 70 -10.910 -0.220 11.669 1.00 0.00 ATOM 534 CB ASN 70 -12.204 -1.006 11.458 1.00 0.00 ATOM 535 CG ASN 70 -13.010 -1.164 12.733 1.00 0.00 ATOM 536 ND2 ASN 70 -14.315 -1.342 12.582 1.00 0.00 ATOM 537 OD1 ASN 70 -12.469 -1.143 13.836 1.00 0.00 ATOM 538 O ASN 70 -9.610 -0.826 13.605 1.00 0.00 ATOM 539 C ASN 70 -9.915 -1.084 12.439 1.00 0.00 ATOM 540 N GLU 71 -9.417 -2.121 11.738 1.00 0.00 ATOM 541 CA GLU 71 -8.466 -3.018 12.373 1.00 0.00 ATOM 542 CB GLU 71 -8.198 -4.250 11.514 1.00 0.00 ATOM 543 CG GLU 71 -7.289 -5.254 12.239 1.00 0.00 ATOM 544 CD GLU 71 -7.860 -5.717 13.601 1.00 0.00 ATOM 545 OE1 GLU 71 -7.039 -6.117 14.478 1.00 0.00 ATOM 546 OE2 GLU 71 -9.105 -5.698 13.808 1.00 0.00 ATOM 547 O GLU 71 -6.574 -2.387 13.724 1.00 0.00 ATOM 548 C GLU 71 -7.173 -2.246 12.650 1.00 0.00 ATOM 549 N PHE 72 -6.560 -1.026 11.969 1.00 0.00 ATOM 550 CA PHE 72 -5.756 0.084 12.425 1.00 0.00 ATOM 551 CB PHE 72 -5.694 1.165 11.338 1.00 0.00 ATOM 552 CG PHE 72 -4.809 2.344 11.657 1.00 0.00 ATOM 553 CD1 PHE 72 -3.444 2.184 11.833 1.00 0.00 ATOM 554 CD2 PHE 72 -5.346 3.621 11.721 1.00 0.00 ATOM 555 CE1 PHE 72 -2.618 3.284 12.065 1.00 0.00 ATOM 556 CE2 PHE 72 -4.527 4.727 11.950 1.00 0.00 ATOM 557 CZ PHE 72 -3.161 4.553 12.120 1.00 0.00 ATOM 558 O PHE 72 -5.707 0.929 14.745 1.00 0.00 ATOM 559 C PHE 72 -6.348 0.657 13.731 1.00 0.00 ATOM 560 N GLY 73 -7.648 0.845 13.667 1.00 0.00 ATOM 561 CA GLY 73 -8.374 1.371 14.820 1.00 0.00 ATOM 562 O GLY 73 -8.590 0.575 17.077 1.00 0.00 ATOM 563 C GLY 73 -8.600 0.300 15.871 1.00 0.00 ATOM 564 N LYS 74 -8.765 -0.947 15.448 1.00 0.00 ATOM 565 CA LYS 74 -8.978 -2.045 16.373 1.00 0.00 ATOM 566 CB LYS 74 -9.698 -3.232 15.660 1.00 0.00 ATOM 567 CG LYS 74 -10.080 -4.362 16.627 1.00 0.00 ATOM 568 CD LYS 74 -11.210 -3.871 17.532 1.00 0.00 ATOM 569 CE LYS 74 -11.213 -4.545 18.893 1.00 0.00 ATOM 570 NZ LYS 74 -10.250 -3.874 19.815 1.00 0.00 ATOM 571 O LYS 74 -7.689 -2.958 18.209 1.00 0.00 ATOM 572 C LYS 74 -7.707 -2.506 17.054 1.00 0.00 ATOM 573 N GLY 75 -6.589 -2.443 16.336 1.00 0.00 ATOM 574 CA GLY 75 -5.314 -2.913 16.872 1.00 0.00 ATOM 575 O GLY 75 -3.616 -1.589 15.757 1.00 0.00 ATOM 576 C GLY 75 -4.311 -1.766 16.759 1.00 0.00 ATOM 577 N LYS 76 -4.184 -1.008 17.843 1.00 0.00 ATOM 578 CA LYS 76 -3.246 0.102 17.888 1.00 0.00 ATOM 579 CB LYS 76 -3.219 0.728 19.282 1.00 0.00 ATOM 580 CG LYS 76 -4.481 1.492 19.645 1.00 0.00 ATOM 581 CD LYS 76 -4.381 2.098 21.034 1.00 0.00 ATOM 582 CE LYS 76 -5.644 2.862 21.399 1.00 0.00 ATOM 583 NZ LYS 76 -5.564 3.449 22.765 1.00 0.00 ATOM 584 O LYS 76 -1.086 0.439 16.911 1.00 0.00 ATOM 585 C LYS 76 -1.828 -0.317 17.553 1.00 0.00 ATOM 586 N LYS 77 -1.406 -1.507 17.927 1.00 0.00 ATOM 587 CA LYS 77 -0.100 -2.064 17.678 1.00 0.00 ATOM 588 CB LYS 77 0.102 -3.341 18.498 1.00 0.00 ATOM 589 CG LYS 77 0.192 -3.107 19.996 1.00 0.00 ATOM 590 CD LYS 77 0.408 -4.412 20.745 1.00 0.00 ATOM 591 CE LYS 77 0.497 -4.179 22.247 1.00 0.00 ATOM 592 NZ LYS 77 0.696 -5.449 22.996 1.00 0.00 ATOM 593 O LYS 77 1.314 -2.609 15.871 1.00 0.00 ATOM 594 C LYS 77 0.148 -2.441 16.222 1.00 0.00 ATOM 595 N ILE 78 -0.884 -2.567 15.394 1.00 0.00 ATOM 596 CA ILE 78 -0.658 -2.905 13.990 1.00 0.00 ATOM 597 CB ILE 78 -1.994 -3.094 13.254 1.00 0.00 ATOM 598 CG1 ILE 78 -2.736 -4.287 13.860 1.00 0.00 ATOM 599 CG2 ILE 78 -1.765 -3.303 11.748 1.00 0.00 ATOM 600 CD1 ILE 78 -4.199 -4.361 13.439 1.00 0.00 ATOM 601 O ILE 78 1.081 -2.052 12.570 1.00 0.00 ATOM 602 C ILE 78 0.106 -1.795 13.276 1.00 0.00 ATOM 603 N GLU 79 -0.292 -0.555 13.527 1.00 0.00 ATOM 604 CA GLU 79 0.349 0.599 12.896 1.00 0.00 ATOM 605 CB GLU 79 -0.455 1.777 13.921 1.00 0.00 ATOM 606 CG GLU 79 -1.868 1.301 14.318 1.00 0.00 ATOM 607 CD GLU 79 -2.645 2.432 14.945 1.00 0.00 ATOM 608 OE1 GLU 79 -2.052 3.077 15.840 1.00 0.00 ATOM 609 OE2 GLU 79 -3.805 2.671 14.552 1.00 0.00 ATOM 610 O GLU 79 2.673 0.941 12.375 1.00 0.00 ATOM 611 C GLU 79 1.839 0.651 13.232 1.00 0.00 ATOM 612 N GLU 80 2.170 0.374 14.488 1.00 0.00 ATOM 613 CA GLU 80 3.559 0.384 14.926 1.00 0.00 ATOM 614 CB GLU 80 3.640 0.323 16.454 1.00 0.00 ATOM 615 CG GLU 80 3.142 1.577 17.153 1.00 0.00 ATOM 616 CD GLU 80 3.187 1.460 18.663 1.00 0.00 ATOM 617 OE1 GLU 80 3.558 0.377 19.165 1.00 0.00 ATOM 618 OE2 GLU 80 2.851 2.449 19.347 1.00 0.00 ATOM 619 O GLU 80 5.474 -0.707 13.977 1.00 0.00 ATOM 620 C GLU 80 4.310 -0.819 14.357 1.00 0.00 ATOM 621 N VAL 81 3.611 -1.951 14.283 1.00 0.00 ATOM 622 CA VAL 81 4.225 -3.179 13.751 1.00 0.00 ATOM 623 CB VAL 81 3.480 -4.436 14.234 1.00 0.00 ATOM 624 CG1 VAL 81 4.053 -5.681 13.576 1.00 0.00 ATOM 625 CG2 VAL 81 3.611 -4.589 15.741 1.00 0.00 ATOM 626 O VAL 81 5.204 -3.643 11.604 1.00 0.00 ATOM 627 C VAL 81 4.218 -3.213 12.224 1.00 0.00 ATOM 628 N ILE 82 3.112 -2.780 11.600 1.00 0.00 ATOM 629 CA ILE 82 3.028 -2.828 10.159 1.00 0.00 ATOM 630 CB ILE 82 1.533 -2.564 9.683 1.00 0.00 ATOM 631 CG1 ILE 82 0.597 -3.667 10.195 1.00 0.00 ATOM 632 CG2 ILE 82 1.422 -2.419 8.154 1.00 0.00 ATOM 633 CD1 ILE 82 1.003 -5.097 9.817 1.00 0.00 ATOM 634 O ILE 82 4.679 -2.115 8.584 1.00 0.00 ATOM 635 C ILE 82 3.962 -1.811 9.547 1.00 0.00 ATOM 636 N ASP 83 4.002 -0.609 10.125 1.00 0.00 ATOM 637 CA ASP 83 4.912 0.414 9.656 1.00 0.00 ATOM 638 CB ASP 83 5.642 1.229 10.837 1.00 0.00 ATOM 639 CG ASP 83 6.046 2.644 10.505 1.00 0.00 ATOM 640 OD1 ASP 83 6.045 3.137 9.382 1.00 0.00 ATOM 641 OD2 ASP 83 6.393 3.311 11.578 1.00 0.00 ATOM 642 O ASP 83 7.088 0.100 8.670 1.00 0.00 ATOM 643 C ASP 83 6.334 -0.098 9.655 1.00 0.00 ATOM 644 N LEU 84 6.784 -0.711 10.752 1.00 0.00 ATOM 645 CA LEU 84 8.159 -1.145 10.861 1.00 0.00 ATOM 646 CB LEU 84 8.476 -1.755 12.249 1.00 0.00 ATOM 647 CG LEU 84 9.939 -2.237 12.487 1.00 0.00 ATOM 648 CD1 LEU 84 10.956 -1.086 12.398 1.00 0.00 ATOM 649 CD2 LEU 84 10.008 -2.868 13.858 1.00 0.00 ATOM 650 O LEU 84 9.474 -2.019 9.010 1.00 0.00 ATOM 651 C LEU 84 8.470 -2.140 9.746 1.00 0.00 ATOM 652 N ILE 85 7.585 -3.124 9.558 1.00 0.00 ATOM 653 CA ILE 85 7.752 -4.091 8.496 1.00 0.00 ATOM 654 CB ILE 85 6.619 -5.157 8.640 1.00 0.00 ATOM 655 CG1 ILE 85 6.914 -6.048 9.841 1.00 0.00 ATOM 656 CG2 ILE 85 6.600 -6.085 7.406 1.00 0.00 ATOM 657 CD1 ILE 85 5.802 -6.959 10.385 1.00 0.00 ATOM 658 O ILE 85 8.712 -3.716 6.375 1.00 0.00 ATOM 659 C ILE 85 7.777 -3.440 7.128 1.00 0.00 ATOM 660 N LEU 86 6.856 -2.510 6.837 1.00 0.00 ATOM 661 CA LEU 86 6.865 -1.888 5.485 1.00 0.00 ATOM 662 CB LEU 86 5.682 -0.918 5.367 1.00 0.00 ATOM 663 CG LEU 86 4.420 -1.374 4.677 1.00 0.00 ATOM 664 CD1 LEU 86 3.889 -2.733 5.020 1.00 0.00 ATOM 665 CD2 LEU 86 3.324 -0.294 4.758 1.00 0.00 ATOM 666 O LEU 86 8.700 -1.327 4.070 1.00 0.00 ATOM 667 C LEU 86 8.147 -1.196 5.189 1.00 0.00 ATOM 668 N ARG 87 9.150 -1.459 6.405 1.00 0.00 ATOM 669 CA ARG 87 10.480 -0.892 6.451 1.00 0.00 ATOM 670 CB ARG 87 11.557 -1.863 6.720 1.00 0.00 ATOM 671 CG ARG 87 11.563 -2.305 8.164 1.00 0.00 ATOM 672 CD ARG 87 12.802 -3.038 8.539 1.00 0.00 ATOM 673 NE ARG 87 12.734 -3.546 9.901 1.00 0.00 ATOM 674 CZ ARG 87 12.638 -4.811 10.296 1.00 0.00 ATOM 675 NH1 ARG 87 12.415 -5.814 9.443 1.00 0.00 ATOM 676 NH2 ARG 87 12.685 -5.082 11.606 1.00 0.00 ATOM 677 O ARG 87 11.267 0.963 5.108 1.00 0.00 ATOM 678 C ARG 87 10.458 0.543 5.928 1.00 0.00 ATOM 679 N ASN 88 9.494 1.299 6.426 1.00 0.00 ATOM 680 CA ASN 88 9.365 2.688 6.002 1.00 0.00 ATOM 681 CB ASN 88 8.564 3.186 5.141 1.00 0.00 ATOM 682 CG ASN 88 9.405 3.391 3.909 1.00 0.00 ATOM 683 ND2 ASN 88 8.768 3.689 2.782 1.00 0.00 ATOM 684 OD1 ASN 88 10.631 3.302 3.978 1.00 0.00 ATOM 685 O ASN 88 9.075 3.215 8.276 1.00 0.00 ATOM 686 C ASN 88 9.516 3.614 7.201 1.00 0.00 ATOM 687 N GLY 89 10.039 4.810 7.000 1.00 0.00 ATOM 688 CA GLY 89 9.984 5.810 8.044 1.00 0.00 ATOM 689 O GLY 89 7.784 6.695 8.343 1.00 0.00 ATOM 690 C GLY 89 8.920 6.878 7.905 1.00 0.00 ATOM 691 N LYS 90 9.289 7.995 7.282 1.00 0.00 ATOM 692 CA LYS 90 8.385 9.130 7.117 1.00 0.00 ATOM 693 CB LYS 90 8.994 10.165 6.167 1.00 0.00 ATOM 694 CG LYS 90 8.149 11.416 5.993 1.00 0.00 ATOM 695 CD LYS 90 8.837 12.425 5.085 1.00 0.00 ATOM 696 CE LYS 90 7.987 13.670 4.899 1.00 0.00 ATOM 697 NZ LYS 90 8.654 14.672 4.021 1.00 0.00 ATOM 698 O LYS 90 6.880 7.910 5.686 1.00 0.00 ATOM 699 C LYS 90 7.015 8.789 6.542 1.00 0.00 ATOM 700 N PRO 91 5.976 9.496 7.015 1.00 0.00 ATOM 701 CA PRO 91 4.592 9.306 6.572 1.00 0.00 ATOM 702 CB PRO 91 3.807 10.364 7.348 1.00 0.00 ATOM 703 CG PRO 91 4.638 10.636 8.558 1.00 0.00 ATOM 704 CD PRO 91 6.068 10.574 8.102 1.00 0.00 ATOM 705 O PRO 91 4.997 10.472 4.516 1.00 0.00 ATOM 706 C PRO 91 4.459 9.508 5.069 1.00 0.00 ATOM 707 N ASN 92 3.746 8.601 4.408 1.00 0.00 ATOM 708 CA ASN 92 3.550 8.709 2.969 1.00 0.00 ATOM 709 CB ASN 92 3.162 7.351 2.379 1.00 0.00 ATOM 710 CG ASN 92 4.284 6.338 2.460 1.00 0.00 ATOM 711 ND2 ASN 92 4.083 5.296 3.259 1.00 0.00 ATOM 712 OD1 ASN 92 5.322 6.489 1.814 1.00 0.00 ATOM 713 O ASN 92 1.246 9.385 2.798 1.00 0.00 ATOM 714 C ASN 92 2.432 9.715 2.701 1.00 0.00 ATOM 715 N SER 93 2.812 10.937 2.369 1.00 0.00 ATOM 716 CA SER 93 1.852 12.007 2.112 1.00 0.00 ATOM 717 CB SER 93 2.930 13.317 2.827 1.00 0.00 ATOM 718 OG SER 93 3.669 13.655 1.666 1.00 0.00 ATOM 719 O SER 93 0.356 12.680 0.312 1.00 0.00 ATOM 720 C SER 93 1.296 11.980 0.688 1.00 0.00 ATOM 721 N THR 94 1.919 11.204 -0.174 1.00 0.00 ATOM 722 CA THR 94 1.573 11.086 -1.586 1.00 0.00 ATOM 723 CB THR 94 2.313 12.138 -2.435 1.00 0.00 ATOM 724 CG2 THR 94 3.811 11.883 -2.413 1.00 0.00 ATOM 725 OG1 THR 94 1.850 12.069 -3.791 1.00 0.00 ATOM 726 O THR 94 2.955 9.151 -1.526 1.00 0.00 ATOM 727 C THR 94 1.970 9.694 -2.050 1.00 0.00 ATOM 728 N THR 95 1.223 9.122 -2.990 1.00 0.00 ATOM 729 CA THR 95 1.519 7.766 -3.441 1.00 0.00 ATOM 730 CB THR 95 0.464 7.259 -4.442 1.00 0.00 ATOM 731 CG2 THR 95 -0.919 7.268 -3.807 1.00 0.00 ATOM 732 OG1 THR 95 0.451 8.110 -5.593 1.00 0.00 ATOM 733 O THR 95 3.411 6.523 -4.097 1.00 0.00 ATOM 734 C THR 95 2.850 7.618 -4.136 1.00 0.00 ATOM 735 N SER 96 3.458 8.674 -4.681 1.00 0.00 ATOM 736 CA SER 96 4.742 8.623 -5.326 1.00 0.00 ATOM 737 CB SER 96 4.824 9.812 -6.311 1.00 0.00 ATOM 738 OG SER 96 4.990 10.972 -5.525 1.00 0.00 ATOM 739 O SER 96 7.003 8.132 -4.835 1.00 0.00 ATOM 740 C SER 96 5.901 8.408 -4.361 1.00 0.00 ATOM 741 N SER 97 5.669 8.395 -3.060 1.00 0.00 ATOM 742 CA SER 97 6.697 8.053 -2.079 1.00 0.00 ATOM 743 CB SER 97 6.128 8.121 -0.660 1.00 0.00 ATOM 744 OG SER 97 5.757 9.448 -0.322 1.00 0.00 ATOM 745 O SER 97 8.382 6.344 -2.064 1.00 0.00 ATOM 746 C SER 97 7.208 6.645 -2.328 1.00 0.00 ATOM 747 N LEU 98 6.380 5.763 -2.898 1.00 0.00 ATOM 748 CA LEU 98 6.790 4.397 -3.213 1.00 0.00 ATOM 749 CB LEU 98 5.603 3.617 -3.715 1.00 0.00 ATOM 750 CG LEU 98 5.870 2.153 -4.021 1.00 0.00 ATOM 751 CD1 LEU 98 6.462 1.443 -2.808 1.00 0.00 ATOM 752 CD2 LEU 98 4.580 1.494 -4.462 1.00 0.00 ATOM 753 O LEU 98 7.537 5.213 -5.345 1.00 0.00 ATOM 754 C LEU 98 7.715 4.405 -4.429 1.00 0.00 ATOM 755 N LYS 99 8.676 3.487 -4.445 1.00 0.00 ATOM 756 CA LYS 99 9.623 3.384 -5.551 1.00 0.00 ATOM 757 CB LYS 99 10.708 2.327 -5.284 1.00 0.00 ATOM 758 CG LYS 99 11.789 2.764 -4.288 1.00 0.00 ATOM 759 CD LYS 99 12.944 1.774 -4.249 1.00 0.00 ATOM 760 CE LYS 99 13.984 2.171 -3.222 1.00 0.00 ATOM 761 NZ LYS 99 14.521 3.530 -3.500 1.00 0.00 ATOM 762 O LYS 99 8.049 2.159 -6.877 1.00 0.00 ATOM 763 C LYS 99 8.883 3.059 -6.848 1.00 0.00 ATOM 764 N THR 100 9.180 3.805 -7.913 1.00 0.00 ATOM 765 CA THR 100 8.535 3.601 -9.209 1.00 0.00 ATOM 766 CB THR 100 7.946 4.929 -9.752 1.00 0.00 ATOM 767 CG2 THR 100 9.047 5.882 -10.164 1.00 0.00 ATOM 768 OG1 THR 100 7.118 4.652 -10.890 1.00 0.00 ATOM 769 O THR 100 10.740 3.468 -10.165 1.00 0.00 ATOM 770 C THR 100 9.529 3.311 -10.330 1.00 0.00 ATOM 771 N LYS 101 9.012 2.866 -11.476 1.00 0.00 ATOM 772 CA LYS 101 9.814 2.595 -12.652 1.00 0.00 ATOM 773 CB LYS 101 11.228 3.153 -12.477 1.00 0.00 ATOM 774 CG LYS 101 11.294 4.672 -12.429 1.00 0.00 ATOM 775 CD LYS 101 12.724 5.156 -12.268 1.00 0.00 ATOM 776 CE LYS 101 12.791 6.675 -12.219 1.00 0.00 ATOM 777 NZ LYS 101 14.187 7.163 -12.050 1.00 0.00 ATOM 778 O LYS 101 10.569 0.944 -14.205 1.00 0.00 ATOM 779 C LYS 101 10.058 1.175 -13.093 1.00 0.00 ATOM 780 N GLY 102 9.734 0.180 -12.278 1.00 0.00 ATOM 781 CA GLY 102 10.019 -1.199 -12.636 1.00 0.00 ATOM 782 O GLY 102 7.947 -1.823 -11.647 1.00 0.00 ATOM 783 C GLY 102 9.104 -2.166 -11.909 1.00 0.00 ATOM 784 N GLY 103 9.609 -3.343 -11.595 1.00 0.00 ATOM 785 CA GLY 103 8.836 -4.384 -10.955 1.00 0.00 ATOM 786 O GLY 103 8.823 -5.609 -8.911 1.00 0.00 ATOM 787 C GLY 103 9.159 -4.572 -9.484 1.00 0.00 ATOM 788 N ASN 104 9.821 -3.589 -8.866 1.00 0.00 ATOM 789 CA ASN 104 10.197 -3.714 -7.467 1.00 0.00 ATOM 790 CB ASN 104 11.976 -3.491 -7.872 1.00 0.00 ATOM 791 CG ASN 104 12.151 -2.005 -7.740 1.00 0.00 ATOM 792 ND2 ASN 104 13.365 -1.531 -8.020 1.00 0.00 ATOM 793 OD1 ASN 104 11.292 -1.288 -7.281 1.00 0.00 ATOM 794 O ASN 104 9.540 -3.070 -5.259 1.00 0.00 ATOM 795 C ASN 104 9.230 -3.106 -6.454 1.00 0.00 ATOM 796 N ALA 105 8.087 -2.644 -6.947 1.00 0.00 ATOM 797 CA ALA 105 7.108 -2.006 -6.085 1.00 0.00 ATOM 798 CB ALA 105 6.013 -1.375 -6.923 1.00 0.00 ATOM 799 O ALA 105 6.473 -4.153 -5.201 1.00 0.00 ATOM 800 C ALA 105 6.618 -2.947 -5.000 1.00 0.00 ATOM 801 N GLY 106 6.320 -2.437 -3.853 1.00 0.00 ATOM 802 CA GLY 106 5.822 -3.227 -2.761 1.00 0.00 ATOM 803 O GLY 106 6.479 -4.616 -0.958 1.00 0.00 ATOM 804 C GLY 106 6.837 -4.046 -1.993 1.00 0.00 ATOM 805 N THR 107 8.080 -4.075 -2.483 1.00 0.00 ATOM 806 CA THR 107 9.110 -4.867 -1.807 1.00 0.00 ATOM 807 CB THR 107 10.438 -4.779 -2.597 1.00 0.00 ATOM 808 CG2 THR 107 11.541 -5.571 -1.897 1.00 0.00 ATOM 809 OG1 THR 107 10.224 -5.304 -3.916 1.00 0.00 ATOM 810 O THR 107 9.379 -5.362 0.511 1.00 0.00 ATOM 811 C THR 107 9.270 -4.473 -0.343 1.00 0.00 ATOM 812 N LYS 108 9.258 -3.157 -0.091 1.00 0.00 ATOM 813 CA LYS 108 9.471 -2.699 1.273 1.00 0.00 ATOM 814 CB LYS 108 9.052 -1.001 1.128 1.00 0.00 ATOM 815 CG LYS 108 9.188 -0.360 -0.248 1.00 0.00 ATOM 816 CD LYS 108 8.991 1.163 -0.153 1.00 0.00 ATOM 817 CE LYS 108 9.762 1.761 -1.306 1.00 0.00 ATOM 818 NZ LYS 108 11.027 2.534 -1.479 1.00 0.00 ATOM 819 O LYS 108 8.750 -3.587 3.346 1.00 0.00 ATOM 820 C LYS 108 8.412 -3.245 2.214 1.00 0.00 ATOM 821 N ALA 109 7.160 -3.307 1.778 1.00 0.00 ATOM 822 CA ALA 109 6.086 -3.823 2.624 1.00 0.00 ATOM 823 CB ALA 109 4.747 -3.653 1.914 1.00 0.00 ATOM 824 O ALA 109 6.178 -5.752 4.067 1.00 0.00 ATOM 825 C ALA 109 6.336 -5.301 2.933 1.00 0.00 ATOM 826 N TYR 110 6.725 -6.043 1.905 1.00 0.00 ATOM 827 CA TYR 110 7.019 -7.465 2.027 1.00 0.00 ATOM 828 CB TYR 110 7.344 -8.026 0.642 1.00 0.00 ATOM 829 CG TYR 110 7.210 -9.524 0.507 1.00 0.00 ATOM 830 CD1 TYR 110 7.173 -10.350 1.630 1.00 0.00 ATOM 831 CD2 TYR 110 7.165 -10.118 -0.751 1.00 0.00 ATOM 832 CE1 TYR 110 7.103 -11.731 1.503 1.00 0.00 ATOM 833 CE2 TYR 110 7.093 -11.494 -0.892 1.00 0.00 ATOM 834 CZ TYR 110 7.067 -12.295 0.236 1.00 0.00 ATOM 835 OH TYR 110 7.033 -13.662 0.093 1.00 0.00 ATOM 836 O TYR 110 8.172 -8.538 3.847 1.00 0.00 ATOM 837 C TYR 110 8.201 -7.663 2.982 1.00 0.00 ATOM 838 N ASN 111 9.230 -6.837 2.814 1.00 0.00 ATOM 839 CA ASN 111 10.393 -6.950 3.682 1.00 0.00 ATOM 840 CB ASN 111 11.660 -7.027 2.831 1.00 0.00 ATOM 841 CG ASN 111 11.744 -8.311 2.039 1.00 0.00 ATOM 842 ND2 ASN 111 11.318 -8.263 0.787 1.00 0.00 ATOM 843 OD1 ASN 111 12.189 -9.337 2.549 1.00 0.00 ATOM 844 O ASN 111 11.521 -5.773 5.438 1.00 0.00 ATOM 845 C ASN 111 10.533 -5.824 4.703 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Sep 9 17:20:08 2002 Date: Mon, 9 Sep 2002 17:20:02 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Sep 9 16:51:26 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_720587_44871 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0181TS001_2 Current information on models submitted in prediction T0181TS001 MODEL_INDEX PIN CODE DATE E-mail T0181TS001_2 PIN_720587_44871 4069-6308-1312 09/09/02 16:51:26 karplus@cse.ucsc.edu T0181TS001_1 PIN_718686_44870 4069-6308-1312 09/09/02 16:51:07 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0181 MODEL_INDEX PIN CODE DATE E-mail T0181TS001_1 PIN_718686_44870 4069-6308-1312 09/09/02 16:51:07 karplus@cse.ucsc.edu T0181TS001_2 PIN_720587_44871 4069-6308-1312 09/09/02 16:51:26 karplus@cse.ucsc.edu T0181SS001_1 PIN_284972_27083 4069-6308-1312 08/18/02 09:15:29 karplus@cse.ucsc.edu For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0181 AUTHOR 4069-6308-1312 # Reading MODEL 2 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0181 # Total number of residues in target: 111 # Total number of residues in model: 111 # Total number of atoms in model: 845 # Number of atoms with 1.0 occupancy: 845 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0181 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 2 PARENT N/A ATOM 1 N MET 1 9.572 -0.773 8.282 1.00 0.00 ATOM 2 CA MET 1 9.852 -1.496 9.554 1.00 0.00 ATOM 3 CB MET 1 11.364 -1.622 9.763 1.00 0.00 ATOM 4 CG MET 1 11.766 -2.290 11.074 1.00 0.00 ATOM 5 SD MET 1 13.569 -2.406 11.294 1.00 0.00 ATOM 6 CE MET 1 13.988 -0.694 11.618 1.00 0.00 ATOM 7 O MET 1 8.731 -1.417 11.675 1.00 0.00 ATOM 8 C MET 1 9.237 -0.782 10.751 1.00 0.00 ATOM 9 N SER 2 9.271 0.536 10.730 1.00 0.00 ATOM 10 CA SER 2 8.737 1.315 11.854 1.00 0.00 ATOM 11 CB SER 2 9.615 2.556 12.104 1.00 0.00 ATOM 12 OG SER 2 9.185 3.278 13.247 1.00 0.00 ATOM 13 O SER 2 6.765 1.556 10.494 1.00 0.00 ATOM 14 C SER 2 7.275 1.721 11.601 1.00 0.00 ATOM 15 N THR 3 6.590 2.209 12.647 1.00 0.00 ATOM 16 CA THR 3 5.224 2.642 12.537 1.00 0.00 ATOM 17 CB THR 3 4.589 2.834 13.927 1.00 0.00 ATOM 18 CG2 THR 3 3.151 3.326 13.794 1.00 0.00 ATOM 19 OG1 THR 3 4.592 1.573 14.614 1.00 0.00 ATOM 20 O THR 3 4.249 3.997 10.846 1.00 0.00 ATOM 21 C THR 3 5.111 3.923 11.714 1.00 0.00 ATOM 22 N VAL 4 5.937 4.932 11.967 1.00 0.00 ATOM 23 CA VAL 4 5.847 6.164 11.168 1.00 0.00 ATOM 24 CB VAL 4 6.746 7.278 11.740 1.00 0.00 ATOM 25 CG1 VAL 4 6.194 7.751 13.080 1.00 0.00 ATOM 26 CG2 VAL 4 8.174 6.787 11.888 1.00 0.00 ATOM 27 O VAL 4 5.894 6.789 8.857 1.00 0.00 ATOM 28 C VAL 4 6.182 5.908 9.693 1.00 0.00 ATOM 29 N THR 5 6.744 4.763 9.358 1.00 0.00 ATOM 30 CA THR 5 7.085 4.458 7.956 1.00 0.00 ATOM 31 CB THR 5 8.359 3.646 7.889 1.00 0.00 ATOM 32 CG2 THR 5 9.494 4.373 8.617 1.00 0.00 ATOM 33 OG1 THR 5 8.169 2.353 8.493 1.00 0.00 ATOM 34 O THR 5 6.182 3.231 6.133 1.00 0.00 ATOM 35 C THR 5 6.018 3.580 7.310 1.00 0.00 ATOM 36 N LYS 6 4.939 3.251 8.005 1.00 0.00 ATOM 37 CA LYS 6 3.902 2.341 7.491 1.00 0.00 ATOM 38 CB LYS 6 4.805 1.008 7.324 1.00 0.00 ATOM 39 CG LYS 6 4.566 -0.184 8.171 1.00 0.00 ATOM 40 CD LYS 6 5.319 -0.101 9.489 1.00 0.00 ATOM 41 CE LYS 6 4.636 -1.143 10.413 1.00 0.00 ATOM 42 NZ LYS 6 4.890 -2.500 9.718 1.00 0.00 ATOM 43 O LYS 6 1.862 2.779 8.746 1.00 0.00 ATOM 44 C LYS 6 2.514 2.885 7.695 1.00 0.00 ATOM 45 N TYR 7 1.954 3.558 6.702 1.00 0.00 ATOM 46 CA TYR 7 0.659 4.236 6.810 1.00 0.00 ATOM 47 CB TYR 7 0.805 5.663 7.245 1.00 0.00 ATOM 48 CG TYR 7 -0.428 6.477 7.515 1.00 0.00 ATOM 49 CD1 TYR 7 -1.146 6.394 8.681 1.00 0.00 ATOM 50 CD2 TYR 7 -0.841 7.388 6.524 1.00 0.00 ATOM 51 CE1 TYR 7 -2.293 7.187 8.886 1.00 0.00 ATOM 52 CE2 TYR 7 -1.943 8.174 6.710 1.00 0.00 ATOM 53 CZ TYR 7 -2.678 8.067 7.898 1.00 0.00 ATOM 54 OH TYR 7 -3.757 8.917 8.048 1.00 0.00 ATOM 55 O TYR 7 0.667 4.278 4.416 1.00 0.00 ATOM 56 C TYR 7 -0.008 4.138 5.450 1.00 0.00 ATOM 57 N PHE 8 -1.320 3.875 5.368 1.00 0.00 ATOM 58 CA PHE 8 -1.931 3.715 4.049 1.00 0.00 ATOM 59 CB PHE 8 -2.061 2.232 3.697 1.00 0.00 ATOM 60 CG PHE 8 -2.978 1.471 4.611 1.00 0.00 ATOM 61 CD1 PHE 8 -4.323 1.338 4.312 1.00 0.00 ATOM 62 CD2 PHE 8 -2.496 0.885 5.770 1.00 0.00 ATOM 63 CE1 PHE 8 -5.166 0.635 5.152 1.00 0.00 ATOM 64 CE2 PHE 8 -3.340 0.185 6.611 1.00 0.00 ATOM 65 CZ PHE 8 -4.670 0.060 6.306 1.00 0.00 ATOM 66 O PHE 8 -3.958 4.603 5.066 1.00 0.00 ATOM 67 C PHE 8 -3.319 4.341 4.032 1.00 0.00 ATOM 68 N TYR 9 -3.821 4.574 2.813 1.00 0.00 ATOM 69 CA TYR 9 -5.199 5.001 2.619 1.00 0.00 ATOM 70 CB TYR 9 -5.200 6.462 2.193 1.00 0.00 ATOM 71 CG TYR 9 -6.563 7.008 1.830 1.00 0.00 ATOM 72 CD1 TYR 9 -7.685 6.673 2.593 1.00 0.00 ATOM 73 CD2 TYR 9 -6.707 7.869 0.746 1.00 0.00 ATOM 74 CE1 TYR 9 -8.926 7.180 2.237 1.00 0.00 ATOM 75 CE2 TYR 9 -7.951 8.393 0.415 1.00 0.00 ATOM 76 CZ TYR 9 -9.042 8.030 1.160 1.00 0.00 ATOM 77 OH TYR 9 -10.289 8.524 0.833 1.00 0.00 ATOM 78 O TYR 9 -5.073 3.765 0.583 1.00 0.00 ATOM 79 C TYR 9 -5.819 4.175 1.472 1.00 0.00 ATOM 80 N LYS 10 -7.125 3.988 1.569 1.00 0.00 ATOM 81 CA LYS 10 -7.862 3.264 0.509 1.00 0.00 ATOM 82 CB LYS 10 -9.310 3.108 0.881 1.00 0.00 ATOM 83 CG LYS 10 -10.091 2.421 -0.247 1.00 0.00 ATOM 84 CD LYS 10 -11.545 2.235 0.104 1.00 0.00 ATOM 85 CE LYS 10 -12.255 1.447 -0.974 1.00 0.00 ATOM 86 NZ LYS 10 -13.678 1.230 -0.600 1.00 0.00 ATOM 87 O LYS 10 -8.059 5.385 -0.553 1.00 0.00 ATOM 88 C LYS 10 -7.881 4.176 -0.709 1.00 0.00 ATOM 89 N GLY 11 -7.633 3.626 -1.898 1.00 0.00 ATOM 90 CA GLY 11 -7.569 4.485 -3.092 1.00 0.00 ATOM 91 O GLY 11 -7.228 2.647 -4.554 1.00 0.00 ATOM 92 C GLY 11 -7.889 3.655 -4.332 1.00 0.00 ATOM 93 N GLU 12 -8.864 4.114 -5.110 1.00 0.00 ATOM 94 CA GLU 12 -9.281 3.366 -6.298 1.00 0.00 ATOM 95 CB GLU 12 -8.201 3.432 -7.381 1.00 0.00 ATOM 96 CG GLU 12 -7.927 4.834 -7.897 1.00 0.00 ATOM 97 CD GLU 12 -6.817 4.868 -8.928 1.00 0.00 ATOM 98 OE1 GLU 12 -6.228 3.802 -9.201 1.00 0.00 ATOM 99 OE2 GLU 12 -6.534 5.961 -9.463 1.00 0.00 ATOM 100 O GLU 12 -10.209 1.673 -4.925 1.00 0.00 ATOM 101 C GLU 12 -9.512 1.921 -5.912 1.00 0.00 ATOM 102 N ASN 13 -8.920 0.972 -6.629 1.00 0.00 ATOM 103 CA ASN 13 -9.134 -0.428 -6.280 1.00 0.00 ATOM 104 CB ASN 13 -9.722 -1.099 -7.600 1.00 0.00 ATOM 105 CG ASN 13 -11.173 -1.484 -7.502 1.00 0.00 ATOM 106 ND2 ASN 13 -11.538 -2.154 -6.412 1.00 0.00 ATOM 107 OD1 ASN 13 -11.963 -1.181 -8.393 1.00 0.00 ATOM 108 O ASN 13 -8.186 -2.182 -4.990 1.00 0.00 ATOM 109 C ASN 13 -8.100 -0.990 -5.317 1.00 0.00 ATOM 110 N THR 14 -7.196 -0.172 -4.786 1.00 0.00 ATOM 111 CA THR 14 -6.201 -0.679 -3.843 1.00 0.00 ATOM 112 CB THR 14 -4.859 -0.968 -4.538 1.00 0.00 ATOM 113 CG2 THR 14 -3.877 -1.592 -3.560 1.00 0.00 ATOM 114 OG1 THR 14 -5.067 -1.872 -5.630 1.00 0.00 ATOM 115 O THR 14 -6.823 0.767 -2.015 1.00 0.00 ATOM 116 C THR 14 -5.919 0.319 -2.716 1.00 0.00 ATOM 117 N ASP 15 -4.645 0.684 -2.578 1.00 0.00 ATOM 118 CA ASP 15 -4.240 1.590 -1.531 1.00 0.00 ATOM 119 CB ASP 15 -4.088 0.728 -0.246 1.00 0.00 ATOM 120 CG ASP 15 -3.247 1.289 0.875 1.00 0.00 ATOM 121 OD1 ASP 15 -2.894 2.448 0.936 1.00 0.00 ATOM 122 OD2 ASP 15 -2.948 0.388 1.781 1.00 0.00 ATOM 123 O ASP 15 -2.060 1.611 -2.501 1.00 0.00 ATOM 124 C ASP 15 -2.946 2.256 -1.936 1.00 0.00 ATOM 125 N LEU 16 -2.724 3.432 -1.215 1.00 0.00 ATOM 126 CA LEU 16 -1.471 4.178 -1.319 1.00 0.00 ATOM 127 CB LEU 16 -1.791 5.650 -1.178 1.00 0.00 ATOM 128 CG LEU 16 -0.570 6.576 -1.229 1.00 0.00 ATOM 129 CD1 LEU 16 0.313 6.151 -2.393 1.00 0.00 ATOM 130 CD2 LEU 16 -1.008 8.049 -1.350 1.00 0.00 ATOM 131 O LEU 16 -1.437 4.057 1.041 1.00 0.00 ATOM 132 C LEU 16 -0.761 3.929 0.021 1.00 0.00 ATOM 133 N ILE 17 0.508 3.562 -0.025 1.00 0.00 ATOM 134 CA ILE 17 1.198 3.242 1.235 1.00 0.00 ATOM 135 CB ILE 17 1.431 1.717 1.361 1.00 0.00 ATOM 136 CG1 ILE 17 0.086 0.978 1.300 1.00 0.00 ATOM 137 CG2 ILE 17 2.197 1.413 2.662 1.00 0.00 ATOM 138 CD1 ILE 17 -0.858 1.295 2.463 1.00 0.00 ATOM 139 O ILE 17 3.224 3.921 0.160 1.00 0.00 ATOM 140 C ILE 17 2.621 3.770 1.222 1.00 0.00 ATOM 141 N VAL 18 3.219 3.971 2.381 1.00 0.00 ATOM 142 CA VAL 18 4.610 4.384 2.491 1.00 0.00 ATOM 143 CB VAL 18 4.736 5.813 3.049 1.00 0.00 ATOM 144 CG1 VAL 18 4.069 5.913 4.413 1.00 0.00 ATOM 145 CG2 VAL 18 6.198 6.202 3.199 1.00 0.00 ATOM 146 O VAL 18 4.832 3.152 4.534 1.00 0.00 ATOM 147 C VAL 18 5.326 3.412 3.439 1.00 0.00 ATOM 148 N PHE 19 6.450 2.875 2.995 1.00 0.00 ATOM 149 CA PHE 19 7.257 1.958 3.795 1.00 0.00 ATOM 150 CB PHE 19 7.380 0.602 3.094 1.00 0.00 ATOM 151 CG PHE 19 8.081 -0.441 3.915 1.00 0.00 ATOM 152 CD1 PHE 19 7.418 -1.095 4.940 1.00 0.00 ATOM 153 CD2 PHE 19 9.399 -0.772 3.662 1.00 0.00 ATOM 154 CE1 PHE 19 8.062 -2.057 5.694 1.00 0.00 ATOM 155 CE2 PHE 19 10.043 -1.734 4.418 1.00 0.00 ATOM 156 CZ PHE 19 9.381 -2.376 5.430 1.00 0.00 ATOM 157 O PHE 19 9.452 2.527 3.020 1.00 0.00 ATOM 158 C PHE 19 8.640 2.604 3.953 1.00 0.00 ATOM 159 N ALA 20 8.680 2.978 5.233 1.00 0.00 ATOM 160 CA ALA 20 9.798 3.724 5.813 1.00 0.00 ATOM 161 CB ALA 20 9.614 5.163 5.366 1.00 0.00 ATOM 162 O ALA 20 8.822 3.188 7.931 1.00 0.00 ATOM 163 C ALA 20 9.811 3.619 7.327 1.00 0.00 ATOM 164 N ALA 21 10.931 4.033 7.919 1.00 0.00 ATOM 165 CA ALA 21 11.139 4.019 9.368 1.00 0.00 ATOM 166 CB ALA 21 12.586 3.751 9.696 1.00 0.00 ATOM 167 O ALA 21 10.141 5.220 11.207 1.00 0.00 ATOM 168 C ALA 21 10.473 5.236 10.023 1.00 0.00 ATOM 169 N SER 22 10.320 6.309 9.231 1.00 0.00 ATOM 170 CA SER 22 9.661 7.508 9.800 1.00 0.00 ATOM 171 CB SER 22 10.632 8.526 10.400 1.00 0.00 ATOM 172 OG SER 22 11.423 9.055 9.352 1.00 0.00 ATOM 173 O SER 22 8.954 7.956 7.496 1.00 0.00 ATOM 174 C SER 22 8.828 8.175 8.707 1.00 0.00 ATOM 175 N GLU 23 7.985 9.121 9.217 1.00 0.00 ATOM 176 CA GLU 23 7.171 9.967 8.351 1.00 0.00 ATOM 177 CB GLU 23 6.270 10.840 9.188 1.00 0.00 ATOM 178 CG GLU 23 5.259 10.034 10.035 1.00 0.00 ATOM 179 CD GLU 23 4.249 9.190 9.239 1.00 0.00 ATOM 180 OE1 GLU 23 4.031 9.468 8.051 1.00 0.00 ATOM 181 OE2 GLU 23 3.665 8.266 9.823 1.00 0.00 ATOM 182 O GLU 23 7.737 10.995 6.266 1.00 0.00 ATOM 183 C GLU 23 8.057 10.808 7.453 1.00 0.00 ATOM 184 N GLU 24 9.151 11.329 8.085 1.00 0.00 ATOM 185 CA GLU 24 10.053 12.169 7.283 1.00 0.00 ATOM 186 CB GLU 24 11.112 12.804 8.184 1.00 0.00 ATOM 187 CG GLU 24 10.474 13.747 9.191 1.00 0.00 ATOM 188 CD GLU 24 11.415 14.110 10.325 1.00 0.00 ATOM 189 OE1 GLU 24 11.013 14.914 11.159 1.00 0.00 ATOM 190 OE2 GLU 24 12.523 13.540 10.341 1.00 0.00 ATOM 191 O GLU 24 10.609 11.925 5.030 1.00 0.00 ATOM 192 C GLU 24 10.638 11.357 6.148 1.00 0.00 ATOM 193 N LEU 25 11.096 10.149 6.404 1.00 0.00 ATOM 194 CA LEU 25 11.679 9.342 5.301 1.00 0.00 ATOM 195 CB LEU 25 12.116 7.974 5.830 1.00 0.00 ATOM 196 CG LEU 25 13.291 8.048 6.822 1.00 0.00 ATOM 197 CD1 LEU 25 13.806 6.688 7.229 1.00 0.00 ATOM 198 CD2 LEU 25 14.416 8.864 6.180 1.00 0.00 ATOM 199 O LEU 25 10.999 9.497 2.999 1.00 0.00 ATOM 200 C LEU 25 10.711 9.189 4.149 1.00 0.00 ATOM 201 N VAL 26 9.463 8.843 4.464 1.00 0.00 ATOM 202 CA VAL 26 8.419 8.620 3.479 1.00 0.00 ATOM 203 CB VAL 26 7.316 7.867 4.746 1.00 0.00 ATOM 204 CG1 VAL 26 8.017 7.128 5.905 1.00 0.00 ATOM 205 CG2 VAL 26 6.384 8.835 5.445 1.00 0.00 ATOM 206 O VAL 26 7.862 9.807 1.515 1.00 0.00 ATOM 207 C VAL 26 8.056 9.881 2.741 1.00 0.00 ATOM 208 N ASP 27 8.001 11.057 3.369 1.00 0.00 ATOM 209 CA ASP 27 7.726 12.280 2.601 1.00 0.00 ATOM 210 CB ASP 27 7.314 13.442 3.443 1.00 0.00 ATOM 211 CG ASP 27 5.886 13.334 3.950 1.00 0.00 ATOM 212 OD1 ASP 27 5.205 12.331 3.645 1.00 0.00 ATOM 213 OD2 ASP 27 5.446 14.262 4.659 1.00 0.00 ATOM 214 O ASP 27 8.836 13.018 0.611 1.00 0.00 ATOM 215 C ASP 27 8.968 12.654 1.789 1.00 0.00 ATOM 216 N GLU 28 10.156 12.474 2.370 1.00 0.00 ATOM 217 CA GLU 28 11.391 12.724 1.603 1.00 0.00 ATOM 218 CB GLU 28 12.624 12.375 2.397 1.00 0.00 ATOM 219 CG GLU 28 12.810 13.271 3.570 1.00 0.00 ATOM 220 CD GLU 28 14.109 13.005 4.304 1.00 0.00 ATOM 221 OE1 GLU 28 14.974 12.233 3.781 1.00 0.00 ATOM 222 OE2 GLU 28 14.249 13.576 5.408 1.00 0.00 ATOM 223 O GLU 28 11.574 12.423 -0.765 1.00 0.00 ATOM 224 C GLU 28 11.374 11.894 0.324 1.00 0.00 ATOM 225 N TYR 29 11.040 10.606 0.432 1.00 0.00 ATOM 226 CA TYR 29 10.926 9.713 -0.716 1.00 0.00 ATOM 227 CB TYR 29 9.964 8.516 -0.108 1.00 0.00 ATOM 228 CG TYR 29 9.749 7.158 -0.739 1.00 0.00 ATOM 229 CD1 TYR 29 9.384 7.020 -2.079 1.00 0.00 ATOM 230 CD2 TYR 29 9.761 6.014 0.056 1.00 0.00 ATOM 231 CE1 TYR 29 9.024 5.775 -2.598 1.00 0.00 ATOM 232 CE2 TYR 29 9.408 4.773 -0.449 1.00 0.00 ATOM 233 CZ TYR 29 9.035 4.656 -1.770 1.00 0.00 ATOM 234 OH TYR 29 8.655 3.416 -2.236 1.00 0.00 ATOM 235 O TYR 29 9.889 10.201 -2.860 1.00 0.00 ATOM 236 C TYR 29 9.766 10.100 -1.630 1.00 0.00 ATOM 237 N LEU 30 8.611 10.421 -1.039 1.00 0.00 ATOM 238 CA LEU 30 7.461 10.875 -1.819 1.00 0.00 ATOM 239 CB LEU 30 6.238 11.110 -0.879 1.00 0.00 ATOM 240 CG LEU 30 4.902 11.521 -1.482 1.00 0.00 ATOM 241 CD1 LEU 30 3.753 11.078 -0.558 1.00 0.00 ATOM 242 CD2 LEU 30 4.793 13.042 -1.651 1.00 0.00 ATOM 243 O LEU 30 7.319 12.240 -3.771 1.00 0.00 ATOM 244 C LEU 30 7.775 12.122 -2.634 1.00 0.00 ATOM 245 N LYS 31 8.627 13.013 -2.140 1.00 0.00 ATOM 246 CA LYS 31 9.079 14.187 -2.866 1.00 0.00 ATOM 247 CB LYS 31 10.017 14.981 -1.956 1.00 0.00 ATOM 248 CG LYS 31 10.618 16.236 -2.601 1.00 0.00 ATOM 249 CD LYS 31 9.658 17.326 -2.784 1.00 0.00 ATOM 250 CE LYS 31 10.204 18.616 -3.346 1.00 0.00 ATOM 251 NZ LYS 31 11.562 19.054 -3.345 1.00 0.00 ATOM 252 O LYS 31 9.553 14.562 -5.168 1.00 0.00 ATOM 253 C LYS 31 9.741 13.831 -4.196 1.00 0.00 ATOM 254 N ASN 32 10.934 12.973 -3.853 1.00 0.00 ATOM 255 CA ASN 32 11.878 12.532 -4.877 1.00 0.00 ATOM 256 CB ASN 32 13.260 13.145 -4.675 1.00 0.00 ATOM 257 CG ASN 32 13.245 14.628 -4.854 1.00 0.00 ATOM 258 ND2 ASN 32 13.764 15.337 -3.875 1.00 0.00 ATOM 259 OD1 ASN 32 12.754 15.134 -5.856 1.00 0.00 ATOM 260 O ASN 32 11.603 10.399 -3.832 1.00 0.00 ATOM 261 C ASN 32 12.099 11.024 -4.767 1.00 0.00 ATOM 262 N PRO 33 12.839 10.472 -5.721 1.00 0.00 ATOM 263 CA PRO 33 13.111 9.052 -5.794 1.00 0.00 ATOM 264 CB PRO 33 14.217 8.869 -6.770 1.00 0.00 ATOM 265 CG PRO 33 14.209 10.032 -7.565 1.00 0.00 ATOM 266 CD PRO 33 13.528 11.176 -6.890 1.00 0.00 ATOM 267 O PRO 33 13.410 7.447 -4.055 1.00 0.00 ATOM 268 C PRO 33 13.807 8.500 -4.564 1.00 0.00 ATOM 269 N SER 34 14.845 9.209 -4.108 1.00 0.00 ATOM 270 CA SER 34 15.575 8.787 -2.923 1.00 0.00 ATOM 271 CB SER 34 17.076 9.114 -3.113 1.00 0.00 ATOM 272 OG SER 34 17.251 10.495 -3.384 1.00 0.00 ATOM 273 O SER 34 15.638 9.200 -0.574 1.00 0.00 ATOM 274 C SER 34 15.073 9.450 -1.653 1.00 0.00 ATOM 275 N ILE 35 14.009 10.167 -2.205 1.00 0.00 ATOM 276 CA ILE 35 13.049 10.573 -1.171 1.00 0.00 ATOM 277 CB ILE 35 12.179 11.781 -1.926 1.00 0.00 ATOM 278 CG1 ILE 35 13.069 12.933 -2.374 1.00 0.00 ATOM 279 CG2 ILE 35 11.029 12.276 -0.977 1.00 0.00 ATOM 280 CD1 ILE 35 13.875 13.585 -1.233 1.00 0.00 ATOM 281 O ILE 35 12.186 9.175 0.591 1.00 0.00 ATOM 282 C ILE 35 12.306 9.352 -0.628 1.00 0.00 ATOM 283 N GLY 36 11.816 8.523 -1.533 1.00 0.00 ATOM 284 CA GLY 36 11.191 7.270 -1.152 1.00 0.00 ATOM 285 O GLY 36 13.447 6.491 -1.407 1.00 0.00 ATOM 286 C GLY 36 12.262 6.187 -1.235 1.00 0.00 ATOM 287 N LYS 37 11.866 4.923 -1.158 1.00 0.00 ATOM 288 CA LYS 37 12.848 3.842 -1.214 1.00 0.00 ATOM 289 CB LYS 37 13.757 3.458 -0.406 1.00 0.00 ATOM 290 CG LYS 37 15.000 4.220 -0.895 1.00 0.00 ATOM 291 CD LYS 37 15.390 3.851 -2.301 1.00 0.00 ATOM 292 CE LYS 37 14.296 3.990 -3.354 1.00 0.00 ATOM 293 NZ LYS 37 14.780 3.492 -4.686 1.00 0.00 ATOM 294 O LYS 37 11.120 2.240 -1.672 1.00 0.00 ATOM 295 C LYS 37 12.284 2.580 -1.869 1.00 0.00 ATOM 296 N LEU 38 13.083 1.948 -2.727 1.00 0.00 ATOM 297 CA LEU 38 12.686 0.697 -3.365 1.00 0.00 ATOM 298 CB LEU 38 13.831 0.320 -4.334 1.00 0.00 ATOM 299 CG LEU 38 13.650 -0.978 -5.122 1.00 0.00 ATOM 300 CD1 LEU 38 12.413 -0.894 -6.014 1.00 0.00 ATOM 301 CD2 LEU 38 14.895 -1.211 -5.971 1.00 0.00 ATOM 302 O LEU 38 13.509 -0.428 -1.403 1.00 0.00 ATOM 303 C LEU 38 12.676 -0.415 -2.312 1.00 0.00 ATOM 304 N SER 39 11.768 -1.376 -2.422 1.00 0.00 ATOM 305 CA SER 39 11.726 -2.484 -1.485 1.00 0.00 ATOM 306 CB SER 39 10.301 -2.917 -1.191 1.00 0.00 ATOM 307 OG SER 39 10.289 -4.061 -0.355 1.00 0.00 ATOM 308 O SER 39 12.140 -3.895 -3.376 1.00 0.00 ATOM 309 C SER 39 12.318 -3.712 -2.181 1.00 0.00 ATOM 310 N GLU 40 13.035 -4.570 -1.435 1.00 0.00 ATOM 311 CA GLU 40 13.594 -5.763 -2.118 1.00 0.00 ATOM 312 CB GLU 40 14.494 -6.475 -1.108 1.00 0.00 ATOM 313 CG GLU 40 15.635 -7.198 -1.847 1.00 0.00 ATOM 314 CD GLU 40 15.187 -8.631 -2.115 1.00 0.00 ATOM 315 OE1 GLU 40 14.181 -9.041 -1.492 1.00 0.00 ATOM 316 OE2 GLU 40 15.829 -9.318 -2.931 1.00 0.00 ATOM 317 O GLU 40 12.503 -7.132 -3.810 1.00 0.00 ATOM 318 C GLU 40 12.509 -6.642 -2.678 1.00 0.00 ATOM 319 N VAL 41 11.435 -6.912 -1.917 1.00 0.00 ATOM 320 CA VAL 41 10.402 -7.825 -2.360 1.00 0.00 ATOM 321 CB VAL 41 10.004 -8.733 -1.208 1.00 0.00 ATOM 322 CG1 VAL 41 8.700 -9.458 -1.530 1.00 0.00 ATOM 323 CG2 VAL 41 11.139 -9.761 -1.073 1.00 0.00 ATOM 324 O VAL 41 9.030 -5.867 -2.069 1.00 0.00 ATOM 325 C VAL 41 9.265 -6.880 -2.739 1.00 0.00 ATOM 326 N VAL 42 8.594 -7.192 -3.842 1.00 0.00 ATOM 327 CA VAL 42 7.479 -6.366 -4.309 1.00 0.00 ATOM 328 CB VAL 42 7.012 -6.771 -5.717 1.00 0.00 ATOM 329 CG1 VAL 42 5.682 -6.116 -6.047 1.00 0.00 ATOM 330 CG2 VAL 42 8.058 -6.384 -6.746 1.00 0.00 ATOM 331 O VAL 42 5.711 -5.384 -3.017 1.00 0.00 ATOM 332 C VAL 42 6.310 -6.414 -3.328 1.00 0.00 ATOM 333 N GLU 43 5.994 -7.606 -2.830 1.00 0.00 ATOM 334 CA GLU 43 4.917 -7.754 -1.847 1.00 0.00 ATOM 335 CB GLU 43 4.591 -9.227 -1.622 1.00 0.00 ATOM 336 CG GLU 43 4.076 -9.906 -2.876 1.00 0.00 ATOM 337 CD GLU 43 3.585 -11.315 -2.634 1.00 0.00 ATOM 338 OE1 GLU 43 4.116 -11.989 -1.723 1.00 0.00 ATOM 339 OE2 GLU 43 2.674 -11.754 -3.368 1.00 0.00 ATOM 340 O GLU 43 4.290 -6.530 0.138 1.00 0.00 ATOM 341 C GLU 43 5.209 -7.042 -0.519 1.00 0.00 ATOM 342 N LEU 44 6.585 -7.130 -0.136 1.00 0.00 ATOM 343 CA LEU 44 6.877 -6.590 1.185 1.00 0.00 ATOM 344 CB LEU 44 8.282 -6.971 1.668 1.00 0.00 ATOM 345 CG LEU 44 8.427 -8.443 2.085 1.00 0.00 ATOM 346 CD1 LEU 44 9.896 -8.856 2.122 1.00 0.00 ATOM 347 CD2 LEU 44 7.749 -8.723 3.417 1.00 0.00 ATOM 348 O LEU 44 6.387 -4.483 2.203 1.00 0.00 ATOM 349 C LEU 44 6.811 -5.082 1.209 1.00 0.00 ATOM 350 N PHE 45 7.210 -4.481 0.079 1.00 0.00 ATOM 351 CA PHE 45 7.183 -3.034 -0.046 1.00 0.00 ATOM 352 CB PHE 45 7.430 -2.601 -1.459 1.00 0.00 ATOM 353 CG PHE 45 7.551 -1.070 -1.623 1.00 0.00 ATOM 354 CD1 PHE 45 8.415 -0.331 -0.811 1.00 0.00 ATOM 355 CD2 PHE 45 6.802 -0.420 -2.591 1.00 0.00 ATOM 356 CE1 PHE 45 8.516 1.046 -0.981 1.00 0.00 ATOM 357 CE2 PHE 45 6.910 0.953 -2.758 1.00 0.00 ATOM 358 CZ PHE 45 7.764 1.694 -1.957 1.00 0.00 ATOM 359 O PHE 45 5.701 -1.587 1.159 1.00 0.00 ATOM 360 C PHE 45 5.815 -2.455 0.285 1.00 0.00 ATOM 361 N GLU 46 4.792 -2.932 -0.425 1.00 0.00 ATOM 362 CA GLU 46 3.427 -2.415 -0.181 1.00 0.00 ATOM 363 CB GLU 46 2.437 -3.156 -1.036 1.00 0.00 ATOM 364 CG GLU 46 1.001 -2.820 -0.725 1.00 0.00 ATOM 365 CD GLU 46 0.059 -3.021 -1.892 1.00 0.00 ATOM 366 OE1 GLU 46 0.506 -3.402 -3.001 1.00 0.00 ATOM 367 OE2 GLU 46 -1.153 -2.787 -1.719 1.00 0.00 ATOM 368 O GLU 46 3.539 -4.013 1.660 1.00 0.00 ATOM 369 C GLU 46 3.036 -2.966 1.213 1.00 0.00 ATOM 370 N VAL 47 2.137 -2.222 1.834 1.00 0.00 ATOM 371 CA VAL 47 1.657 -2.519 3.212 1.00 0.00 ATOM 372 CB VAL 47 2.199 -1.456 4.225 1.00 0.00 ATOM 373 CG1 VAL 47 1.815 -1.865 5.678 1.00 0.00 ATOM 374 CG2 VAL 47 3.667 -1.080 4.011 1.00 0.00 ATOM 375 O VAL 47 -0.553 -1.698 2.715 1.00 0.00 ATOM 376 C VAL 47 0.140 -2.622 3.236 1.00 0.00 ATOM 377 N PHE 48 -0.372 -3.645 3.858 1.00 0.00 ATOM 378 CA PHE 48 -1.808 -3.917 4.029 1.00 0.00 ATOM 379 CB PHE 48 -2.393 -5.282 3.573 1.00 0.00 ATOM 380 CG PHE 48 -2.297 -5.360 2.065 1.00 0.00 ATOM 381 CD1 PHE 48 -1.126 -5.755 1.396 1.00 0.00 ATOM 382 CD2 PHE 48 -3.369 -4.966 1.258 1.00 0.00 ATOM 383 CE1 PHE 48 -1.038 -5.816 0.014 1.00 0.00 ATOM 384 CE2 PHE 48 -3.367 -4.994 -0.137 1.00 0.00 ATOM 385 CZ PHE 48 -2.153 -5.414 -0.738 1.00 0.00 ATOM 386 O PHE 48 -1.502 -4.499 6.311 1.00 0.00 ATOM 387 C PHE 48 -2.191 -3.818 5.519 1.00 0.00 ATOM 388 N THR 49 -3.250 -3.098 5.860 1.00 0.00 ATOM 389 CA THR 49 -3.656 -3.019 7.259 1.00 0.00 ATOM 390 CB THR 49 -3.576 -1.591 7.790 1.00 0.00 ATOM 391 CG2 THR 49 -3.913 -1.575 9.285 1.00 0.00 ATOM 392 OG1 THR 49 -2.238 -1.125 7.604 1.00 0.00 ATOM 393 O THR 49 -5.876 -2.869 6.339 1.00 0.00 ATOM 394 C THR 49 -5.175 -3.077 7.329 1.00 0.00 ATOM 395 N PRO 50 -5.700 -3.212 8.536 1.00 0.00 ATOM 396 CA PRO 50 -7.131 -3.201 8.769 1.00 0.00 ATOM 397 CB PRO 50 -7.287 -3.611 10.220 1.00 0.00 ATOM 398 CG PRO 50 -5.960 -4.111 10.668 1.00 0.00 ATOM 399 CD PRO 50 -4.941 -3.434 9.791 1.00 0.00 ATOM 400 O PRO 50 -8.980 -1.735 8.464 1.00 0.00 ATOM 401 C PRO 50 -7.749 -1.848 8.500 1.00 0.00 ATOM 402 N GLN 51 -6.941 -0.806 8.270 1.00 0.00 ATOM 403 CA GLN 51 -7.476 0.517 7.944 1.00 0.00 ATOM 404 CB GLN 51 -6.238 1.519 8.288 1.00 0.00 ATOM 405 CG GLN 51 -6.718 2.933 7.947 1.00 0.00 ATOM 406 CD GLN 51 -5.689 3.990 8.257 1.00 0.00 ATOM 407 OE1 GLN 51 -5.601 5.023 7.596 1.00 0.00 ATOM 408 NE2 GLN 51 -4.887 3.737 9.289 1.00 0.00 ATOM 409 O GLN 51 -8.904 1.602 6.368 1.00 0.00 ATOM 410 C GLN 51 -8.297 0.579 6.659 1.00 0.00 ATOM 411 N ASP 52 -8.330 -0.506 5.899 1.00 0.00 ATOM 412 CA ASP 52 -9.080 -0.523 4.648 1.00 0.00 ATOM 413 CB ASP 52 -7.984 -0.594 3.473 1.00 0.00 ATOM 414 CG ASP 52 -7.070 0.625 3.397 1.00 0.00 ATOM 415 OD1 ASP 52 -7.543 1.754 3.650 1.00 0.00 ATOM 416 OD2 ASP 52 -5.872 0.455 3.087 1.00 0.00 ATOM 417 O ASP 52 -11.172 -1.357 3.845 1.00 0.00 ATOM 418 C ASP 52 -10.366 -1.295 4.785 1.00 0.00 ATOM 419 N GLY 53 -10.576 -1.903 5.942 1.00 0.00 ATOM 420 CA GLY 53 -11.792 -2.666 6.114 1.00 0.00 ATOM 421 O GLY 53 -10.401 -4.384 6.987 1.00 0.00 ATOM 422 C GLY 53 -11.505 -4.091 6.491 1.00 0.00 ATOM 423 N ARG 54 -12.465 -4.975 6.255 1.00 0.00 ATOM 424 CA ARG 54 -12.394 -6.367 6.595 1.00 0.00 ATOM 425 CB ARG 54 -13.325 -7.204 6.763 1.00 0.00 ATOM 426 CG ARG 54 -13.161 -7.505 8.253 1.00 0.00 ATOM 427 CD ARG 54 -11.960 -8.445 8.538 1.00 0.00 ATOM 428 NE ARG 54 -11.881 -8.699 9.982 1.00 0.00 ATOM 429 CZ ARG 54 -11.344 -7.844 10.846 1.00 0.00 ATOM 430 NH1 ARG 54 -10.784 -6.696 10.444 1.00 0.00 ATOM 431 NH2 ARG 54 -11.338 -8.140 12.155 1.00 0.00 ATOM 432 O ARG 54 -11.573 -6.661 4.330 1.00 0.00 ATOM 433 C ARG 54 -11.499 -7.023 5.536 1.00 0.00 ATOM 434 N GLY 55 -10.706 -8.020 5.931 1.00 0.00 ATOM 435 CA GLY 55 -9.902 -8.763 4.971 1.00 0.00 ATOM 436 O GLY 55 -8.136 -7.143 4.992 1.00 0.00 ATOM 437 C GLY 55 -8.468 -8.319 4.796 1.00 0.00 ATOM 438 N ALA 56 -7.617 -9.259 4.388 1.00 0.00 ATOM 439 CA ALA 56 -6.191 -8.989 4.172 1.00 0.00 ATOM 440 CB ALA 56 -5.455 -10.283 3.761 1.00 0.00 ATOM 441 O ALA 56 -4.965 -7.167 3.194 1.00 0.00 ATOM 442 C ALA 56 -5.963 -7.882 3.134 1.00 0.00 ATOM 443 N GLU 57 -6.903 -7.728 2.210 1.00 0.00 ATOM 444 CA GLU 57 -6.837 -6.698 1.167 1.00 0.00 ATOM 445 CB GLU 57 -8.495 -7.139 0.662 1.00 0.00 ATOM 446 CG GLU 57 -9.373 -6.259 1.533 1.00 0.00 ATOM 447 CD GLU 57 -10.859 -6.404 1.443 1.00 0.00 ATOM 448 OE1 GLU 57 -11.391 -6.894 0.433 1.00 0.00 ATOM 449 OE2 GLU 57 -11.556 -6.004 2.403 1.00 0.00 ATOM 450 O GLU 57 -6.017 -4.412 1.188 1.00 0.00 ATOM 451 C GLU 57 -6.707 -5.263 1.758 1.00 0.00 ATOM 452 N GLY 58 -7.341 -5.020 2.919 1.00 0.00 ATOM 453 CA GLY 58 -7.312 -3.694 3.530 1.00 0.00 ATOM 454 O GLY 58 -8.488 -1.628 3.846 1.00 0.00 ATOM 455 C GLY 58 -8.375 -2.662 3.169 1.00 0.00 ATOM 456 N GLU 59 -9.150 -2.856 2.131 1.00 0.00 ATOM 457 CA GLU 59 -10.194 -1.896 1.783 1.00 0.00 ATOM 458 CB GLU 59 -9.954 -1.442 0.348 1.00 0.00 ATOM 459 CG GLU 59 -11.226 -0.876 -0.280 1.00 0.00 ATOM 460 CD GLU 59 -10.946 -0.456 -1.705 1.00 0.00 ATOM 461 OE1 GLU 59 -9.919 -0.852 -2.245 1.00 0.00 ATOM 462 OE2 GLU 59 -11.757 0.280 -2.265 1.00 0.00 ATOM 463 O GLU 59 -11.774 -3.685 1.528 1.00 0.00 ATOM 464 C GLU 59 -11.556 -2.546 1.955 1.00 0.00 ATOM 465 N LEU 60 -12.474 -1.830 2.584 1.00 0.00 ATOM 466 CA LEU 60 -13.821 -2.338 2.773 1.00 0.00 ATOM 467 CB LEU 60 -13.949 -2.432 4.312 1.00 0.00 ATOM 468 CG LEU 60 -15.235 -3.037 4.835 1.00 0.00 ATOM 469 CD1 LEU 60 -15.335 -4.542 4.579 1.00 0.00 ATOM 470 CD2 LEU 60 -15.402 -2.843 6.344 1.00 0.00 ATOM 471 O LEU 60 -14.989 -0.324 2.183 1.00 0.00 ATOM 472 C LEU 60 -14.724 -1.487 1.879 1.00 0.00 ATOM 473 N GLY 61 -15.138 -2.056 0.749 1.00 0.00 ATOM 474 CA GLY 61 -15.995 -1.340 -0.177 1.00 0.00 ATOM 475 O GLY 61 -14.628 0.151 -1.446 1.00 0.00 ATOM 476 C GLY 61 -15.237 -0.919 -1.421 1.00 0.00 ATOM 477 N ALA 62 -15.264 -1.766 -2.448 1.00 0.00 ATOM 478 CA ALA 62 -14.570 -1.493 -3.701 1.00 0.00 ATOM 479 CB ALA 62 -14.698 -3.022 -4.433 1.00 0.00 ATOM 480 O ALA 62 -14.870 0.195 -5.400 1.00 0.00 ATOM 481 C ALA 62 -15.386 -0.720 -4.743 1.00 0.00 ATOM 482 N ALA 63 -16.655 -1.121 -4.900 1.00 0.00 ATOM 483 CA ALA 63 -17.542 -0.499 -5.892 1.00 0.00 ATOM 484 CB ALA 63 -18.813 -1.328 -6.024 1.00 0.00 ATOM 485 O ALA 63 -17.810 1.837 -6.429 1.00 0.00 ATOM 486 C ALA 63 -17.812 0.961 -5.546 1.00 0.00 ATOM 487 N SER 64 -18.039 1.272 -4.262 1.00 0.00 ATOM 488 CA SER 64 -18.225 2.657 -3.850 1.00 0.00 ATOM 489 CB SER 64 -18.942 2.711 -2.507 1.00 0.00 ATOM 490 OG SER 64 -18.069 2.281 -1.478 1.00 0.00 ATOM 491 O SER 64 -16.932 4.669 -3.727 1.00 0.00 ATOM 492 C SER 64 -16.914 3.443 -3.775 1.00 0.00 ATOM 493 N LYS 65 -15.786 2.739 -3.787 1.00 0.00 ATOM 494 CA LYS 65 -14.488 3.384 -3.721 1.00 0.00 ATOM 495 CB LYS 65 -13.362 2.152 -3.995 1.00 0.00 ATOM 496 CG LYS 65 -13.816 1.228 -5.076 1.00 0.00 ATOM 497 CD LYS 65 -13.389 -0.197 -4.911 1.00 0.00 ATOM 498 CE LYS 65 -12.159 -0.573 -5.706 1.00 0.00 ATOM 499 NZ LYS 65 -11.834 -2.032 -5.442 1.00 0.00 ATOM 500 O LYS 65 -13.795 5.322 -4.959 1.00 0.00 ATOM 501 C LYS 65 -14.260 4.182 -4.998 1.00 0.00 ATOM 502 N ALA 66 -14.595 3.579 -6.134 1.00 0.00 ATOM 503 CA ALA 66 -14.429 4.244 -7.420 1.00 0.00 ATOM 504 CB ALA 66 -14.824 3.302 -8.547 1.00 0.00 ATOM 505 O ALA 66 -14.885 6.554 -7.928 1.00 0.00 ATOM 506 C ALA 66 -15.302 5.497 -7.446 1.00 0.00 ATOM 507 N GLN 67 -16.513 5.364 -6.915 1.00 0.00 ATOM 508 CA GLN 67 -17.472 6.459 -6.852 1.00 0.00 ATOM 509 CB GLN 67 -18.725 5.996 -6.102 1.00 0.00 ATOM 510 CG GLN 67 -19.833 7.033 -5.973 1.00 0.00 ATOM 511 CD GLN 67 -20.278 7.586 -7.309 1.00 0.00 ATOM 512 OE1 GLN 67 -20.314 6.870 -8.311 1.00 0.00 ATOM 513 NE2 GLN 67 -20.632 8.869 -7.333 1.00 0.00 ATOM 514 O GLN 67 -16.927 8.789 -6.627 1.00 0.00 ATOM 515 C GLN 67 -16.846 7.659 -6.143 1.00 0.00 ATOM 516 N VAL 68 -16.302 7.236 -4.850 1.00 0.00 ATOM 517 CA VAL 68 -15.710 8.236 -3.961 1.00 0.00 ATOM 518 CB VAL 68 -15.284 7.605 -2.607 1.00 0.00 ATOM 519 CG1 VAL 68 -14.550 8.633 -1.753 1.00 0.00 ATOM 520 CG2 VAL 68 -16.516 7.093 -1.858 1.00 0.00 ATOM 521 O VAL 68 -14.307 10.103 -4.514 1.00 0.00 ATOM 522 C VAL 68 -14.491 8.893 -4.621 1.00 0.00 ATOM 523 N GLU 69 -13.657 8.121 -5.310 1.00 0.00 ATOM 524 CA GLU 69 -12.489 8.655 -5.975 1.00 0.00 ATOM 525 CB GLU 69 -11.197 7.867 -5.506 1.00 0.00 ATOM 526 CG GLU 69 -10.959 7.769 -3.995 1.00 0.00 ATOM 527 CD GLU 69 -10.750 9.122 -3.375 1.00 0.00 ATOM 528 OE1 GLU 69 -9.809 9.839 -3.811 1.00 0.00 ATOM 529 OE2 GLU 69 -11.526 9.477 -2.461 1.00 0.00 ATOM 530 O GLU 69 -12.825 7.888 -8.260 1.00 0.00 ATOM 531 C GLU 69 -12.748 8.851 -7.483 1.00 0.00 ATOM 532 N ASN 70 -12.773 10.135 -7.857 1.00 0.00 ATOM 533 CA ASN 70 -13.065 10.506 -9.240 1.00 0.00 ATOM 534 CB ASN 70 -13.653 11.916 -9.309 1.00 0.00 ATOM 535 CG ASN 70 -15.016 11.991 -8.669 1.00 0.00 ATOM 536 ND2 ASN 70 -15.377 13.165 -8.164 1.00 0.00 ATOM 537 OD1 ASN 70 -15.739 10.996 -8.630 1.00 0.00 ATOM 538 O ASN 70 -11.967 10.177 -11.351 1.00 0.00 ATOM 539 C ASN 70 -11.844 10.381 -10.137 1.00 0.00 ATOM 540 N GLU 71 -10.657 10.502 -9.558 1.00 0.00 ATOM 541 CA GLU 71 -9.435 10.325 -10.332 1.00 0.00 ATOM 542 CB GLU 71 -8.223 10.758 -9.502 1.00 0.00 ATOM 543 CG GLU 71 -6.939 10.988 -10.316 1.00 0.00 ATOM 544 CD GLU 71 -7.038 12.163 -11.289 1.00 0.00 ATOM 545 OE1 GLU 71 -8.084 12.841 -11.318 1.00 0.00 ATOM 546 OE2 GLU 71 -6.069 12.417 -12.032 1.00 0.00 ATOM 547 O GLU 71 -8.825 8.669 -11.981 1.00 0.00 ATOM 548 C GLU 71 -9.280 8.881 -10.858 1.00 0.00 ATOM 549 N PHE 72 -9.688 7.903 -10.042 1.00 0.00 ATOM 550 CA PHE 72 -9.598 6.496 -10.450 1.00 0.00 ATOM 551 CB PHE 72 -10.488 5.716 -9.254 1.00 0.00 ATOM 552 CG PHE 72 -10.598 4.218 -9.367 1.00 0.00 ATOM 553 CD1 PHE 72 -9.604 3.391 -8.838 1.00 0.00 ATOM 554 CD2 PHE 72 -11.682 3.634 -10.041 1.00 0.00 ATOM 555 CE1 PHE 72 -9.687 2.009 -8.984 1.00 0.00 ATOM 556 CE2 PHE 72 -11.768 2.256 -10.191 1.00 0.00 ATOM 557 CZ PHE 72 -10.770 1.443 -9.661 1.00 0.00 ATOM 558 O PHE 72 -10.291 5.551 -12.564 1.00 0.00 ATOM 559 C PHE 72 -10.587 6.271 -11.606 1.00 0.00 ATOM 560 N GLY 73 -11.761 6.888 -11.509 1.00 0.00 ATOM 561 CA GLY 73 -12.770 6.750 -12.557 1.00 0.00 ATOM 562 O GLY 73 -12.716 7.244 -14.907 1.00 0.00 ATOM 563 C GLY 73 -12.444 7.616 -13.760 1.00 0.00 ATOM 564 N LYS 74 -11.820 8.765 -13.534 1.00 0.00 ATOM 565 CA LYS 74 -11.457 9.664 -14.617 1.00 0.00 ATOM 566 CB LYS 74 -11.289 11.121 -14.089 1.00 0.00 ATOM 567 CG LYS 74 -11.048 12.136 -15.216 1.00 0.00 ATOM 568 CD LYS 74 -12.339 12.291 -16.019 1.00 0.00 ATOM 569 CE LYS 74 -12.092 12.671 -17.470 1.00 0.00 ATOM 570 NZ LYS 74 -11.786 11.460 -18.286 1.00 0.00 ATOM 571 O LYS 74 -10.069 9.424 -16.587 1.00 0.00 ATOM 572 C LYS 74 -10.228 9.211 -15.376 1.00 0.00 ATOM 573 N GLY 75 -9.281 8.595 -14.671 1.00 0.00 ATOM 574 CA GLY 75 -8.030 8.166 -15.288 1.00 0.00 ATOM 575 O GLY 75 -7.298 6.245 -14.001 1.00 0.00 ATOM 576 C GLY 75 -7.862 6.673 -15.010 1.00 0.00 ATOM 577 N LYS 76 -8.303 5.859 -15.964 1.00 0.00 ATOM 578 CA LYS 76 -8.182 4.414 -15.845 1.00 0.00 ATOM 579 CB LYS 76 -8.218 3.988 -17.532 1.00 0.00 ATOM 580 CG LYS 76 -9.063 4.860 -18.413 1.00 0.00 ATOM 581 CD LYS 76 -9.055 4.431 -19.888 1.00 0.00 ATOM 582 CE LYS 76 -7.875 5.131 -20.551 1.00 0.00 ATOM 583 NZ LYS 76 -6.715 4.157 -20.680 1.00 0.00 ATOM 584 O LYS 76 -6.522 3.003 -14.854 1.00 0.00 ATOM 585 C LYS 76 -6.756 3.966 -15.598 1.00 0.00 ATOM 586 N LYS 77 -5.767 4.633 -16.158 1.00 0.00 ATOM 587 CA LYS 77 -4.360 4.349 -16.015 1.00 0.00 ATOM 588 CB LYS 77 -3.547 5.159 -17.027 1.00 0.00 ATOM 589 CG LYS 77 -3.758 4.739 -18.471 1.00 0.00 ATOM 590 CD LYS 77 -2.909 5.572 -19.418 1.00 0.00 ATOM 591 CE LYS 77 -3.121 5.153 -20.864 1.00 0.00 ATOM 592 NZ LYS 77 -2.306 5.971 -21.805 1.00 0.00 ATOM 593 O LYS 77 -2.718 4.179 -14.331 1.00 0.00 ATOM 594 C LYS 77 -3.799 4.681 -14.639 1.00 0.00 ATOM 595 N ILE 78 -4.473 5.481 -13.823 1.00 0.00 ATOM 596 CA ILE 78 -3.965 5.795 -12.497 1.00 0.00 ATOM 597 CB ILE 78 -4.842 6.877 -11.835 1.00 0.00 ATOM 598 CG1 ILE 78 -4.718 8.175 -12.640 1.00 0.00 ATOM 599 CG2 ILE 78 -4.403 7.110 -10.395 1.00 0.00 ATOM 600 CD1 ILE 78 -5.670 9.272 -12.219 1.00 0.00 ATOM 601 O ILE 78 -2.875 4.385 -10.890 1.00 0.00 ATOM 602 C ILE 78 -3.858 4.551 -11.616 1.00 0.00 ATOM 603 N GLU 79 -4.842 3.669 -11.667 1.00 0.00 ATOM 604 CA GLU 79 -4.805 2.433 -10.883 1.00 0.00 ATOM 605 CB GLU 79 -5.720 1.396 -11.405 1.00 0.00 ATOM 606 CG GLU 79 -7.139 1.763 -11.093 1.00 0.00 ATOM 607 CD GLU 79 -7.751 2.692 -12.113 1.00 0.00 ATOM 608 OE1 GLU 79 -7.176 2.871 -13.208 1.00 0.00 ATOM 609 OE2 GLU 79 -8.844 3.207 -11.814 1.00 0.00 ATOM 610 O GLU 79 -3.058 0.863 -10.450 1.00 0.00 ATOM 611 C GLU 79 -3.641 1.549 -11.290 1.00 0.00 ATOM 612 N GLU 80 -3.322 1.541 -12.583 1.00 0.00 ATOM 613 CA GLU 80 -2.221 0.741 -13.114 1.00 0.00 ATOM 614 CB GLU 80 -2.317 0.663 -14.640 1.00 0.00 ATOM 615 CG GLU 80 -3.527 -0.157 -15.083 1.00 0.00 ATOM 616 CD GLU 80 -3.720 -0.180 -16.595 1.00 0.00 ATOM 617 OE1 GLU 80 -3.415 0.821 -17.254 1.00 0.00 ATOM 618 OE2 GLU 80 -4.187 -1.206 -17.128 1.00 0.00 ATOM 619 O GLU 80 0.061 0.541 -12.367 1.00 0.00 ATOM 620 C GLU 80 -0.859 1.297 -12.679 1.00 0.00 ATOM 621 N VAL 81 -0.722 2.612 -12.673 1.00 0.00 ATOM 622 CA VAL 81 0.540 3.227 -12.229 1.00 0.00 ATOM 623 CB VAL 81 0.698 4.656 -12.783 1.00 0.00 ATOM 624 CG1 VAL 81 1.944 5.314 -12.212 1.00 0.00 ATOM 625 CG2 VAL 81 0.821 4.628 -14.299 1.00 0.00 ATOM 626 O VAL 81 1.700 3.088 -10.128 1.00 0.00 ATOM 627 C VAL 81 0.627 3.326 -10.708 1.00 0.00 ATOM 628 N ILE 82 -0.479 3.691 -10.045 1.00 0.00 ATOM 629 CA ILE 82 -0.447 3.844 -8.609 1.00 0.00 ATOM 630 CB ILE 82 -1.689 4.638 -8.086 1.00 0.00 ATOM 631 CG1 ILE 82 -1.589 6.092 -8.613 1.00 0.00 ATOM 632 CG2 ILE 82 -1.831 4.619 -6.529 1.00 0.00 ATOM 633 CD1 ILE 82 -2.907 6.834 -8.272 1.00 0.00 ATOM 634 O ILE 82 0.496 2.338 -7.008 1.00 0.00 ATOM 635 C ILE 82 -0.303 2.496 -7.944 1.00 0.00 ATOM 636 N ASP 83 -1.035 1.498 -8.441 1.00 0.00 ATOM 637 CA ASP 83 -0.919 0.155 -7.920 1.00 0.00 ATOM 638 CB ASP 83 -1.623 -0.856 -8.794 1.00 0.00 ATOM 639 CG ASP 83 -1.247 -2.292 -8.465 1.00 0.00 ATOM 640 OD1 ASP 83 -0.112 -2.704 -8.796 1.00 0.00 ATOM 641 OD2 ASP 83 -2.081 -3.007 -7.871 1.00 0.00 ATOM 642 O ASP 83 1.039 -0.891 -6.979 1.00 0.00 ATOM 643 C ASP 83 0.516 -0.316 -7.965 1.00 0.00 ATOM 644 N LEU 84 1.188 -0.158 -9.102 1.00 0.00 ATOM 645 CA LEU 84 2.547 -0.667 -9.262 1.00 0.00 ATOM 646 CB LEU 84 2.848 -0.871 -10.837 1.00 0.00 ATOM 647 CG LEU 84 4.326 -1.120 -11.148 1.00 0.00 ATOM 648 CD1 LEU 84 4.763 -2.491 -10.584 1.00 0.00 ATOM 649 CD2 LEU 84 4.612 -1.041 -12.652 1.00 0.00 ATOM 650 O LEU 84 4.542 -0.377 -7.967 1.00 0.00 ATOM 651 C LEU 84 3.544 0.152 -8.491 1.00 0.00 ATOM 652 N ILE 85 3.358 1.468 -8.423 1.00 0.00 ATOM 653 CA ILE 85 4.262 2.323 -7.665 1.00 0.00 ATOM 654 CB ILE 85 3.984 3.827 -8.114 1.00 0.00 ATOM 655 CG1 ILE 85 5.138 4.717 -7.651 1.00 0.00 ATOM 656 CG2 ILE 85 2.688 4.388 -7.541 1.00 0.00 ATOM 657 CD1 ILE 85 6.367 4.511 -8.521 1.00 0.00 ATOM 658 O ILE 85 5.057 2.180 -5.406 1.00 0.00 ATOM 659 C ILE 85 4.085 2.048 -6.163 1.00 0.00 ATOM 660 N LEU 86 2.794 1.445 -6.053 1.00 0.00 ATOM 661 CA LEU 86 2.675 1.065 -4.649 1.00 0.00 ATOM 662 CB LEU 86 1.231 0.833 -4.291 1.00 0.00 ATOM 663 CG LEU 86 0.400 2.117 -4.359 1.00 0.00 ATOM 664 CD1 LEU 86 -1.076 1.794 -4.355 1.00 0.00 ATOM 665 CD2 LEU 86 0.770 3.050 -3.208 1.00 0.00 ATOM 666 O LEU 86 3.653 -0.627 -3.256 1.00 0.00 ATOM 667 C LEU 86 3.409 -0.243 -4.400 1.00 0.00 ATOM 668 N ARG 87 3.743 -0.988 -5.451 1.00 0.00 ATOM 669 CA ARG 87 4.452 -2.247 -5.391 1.00 0.00 ATOM 670 CB ARG 87 6.078 -1.874 -5.248 1.00 0.00 ATOM 671 CG ARG 87 7.113 -2.954 -5.575 1.00 0.00 ATOM 672 CD ARG 87 8.525 -2.434 -5.665 1.00 0.00 ATOM 673 NE ARG 87 9.512 -3.526 -5.590 1.00 0.00 ATOM 674 CZ ARG 87 10.770 -3.423 -5.998 1.00 0.00 ATOM 675 NH1 ARG 87 11.242 -2.311 -6.541 1.00 0.00 ATOM 676 NH2 ARG 87 11.560 -4.458 -5.895 1.00 0.00 ATOM 677 O ARG 87 4.106 -3.985 -3.742 1.00 0.00 ATOM 678 C ARG 87 3.630 -3.280 -4.625 1.00 0.00 ATOM 679 N ASN 88 2.360 -3.356 -4.986 1.00 0.00 ATOM 680 CA ASN 88 1.469 -4.300 -4.326 1.00 0.00 ATOM 681 CB ASN 88 0.230 -3.661 -3.960 1.00 0.00 ATOM 682 CG ASN 88 -0.983 -3.575 -4.837 1.00 0.00 ATOM 683 ND2 ASN 88 -0.863 -2.921 -6.010 1.00 0.00 ATOM 684 OD1 ASN 88 -2.094 -4.088 -4.459 1.00 0.00 ATOM 685 O ASN 88 0.688 -4.858 -6.474 1.00 0.00 ATOM 686 C ASN 88 0.910 -5.285 -5.342 1.00 0.00 ATOM 687 N GLY 89 0.629 -6.510 -4.932 1.00 0.00 ATOM 688 CA GLY 89 -0.122 -7.405 -5.785 1.00 0.00 ATOM 689 O GLY 89 -2.430 -6.800 -5.932 1.00 0.00 ATOM 690 C GLY 89 -1.591 -7.572 -5.464 1.00 0.00 ATOM 691 N LYS 90 -1.907 -8.581 -4.653 1.00 0.00 ATOM 692 CA LYS 90 -3.279 -8.891 -4.297 1.00 0.00 ATOM 693 CB LYS 90 -3.598 -10.353 -4.628 1.00 0.00 ATOM 694 CG LYS 90 -3.310 -10.718 -6.072 1.00 0.00 ATOM 695 CD LYS 90 -3.450 -12.202 -6.339 1.00 0.00 ATOM 696 CE LYS 90 -3.022 -12.507 -7.759 1.00 0.00 ATOM 697 NZ LYS 90 -3.130 -13.947 -8.064 1.00 0.00 ATOM 698 O LYS 90 -2.453 -9.113 -2.073 1.00 0.00 ATOM 699 C LYS 90 -3.345 -8.676 -2.797 1.00 0.00 ATOM 700 N PRO 91 -4.372 -7.985 -2.300 1.00 0.00 ATOM 701 CA PRO 91 -4.523 -7.731 -0.869 1.00 0.00 ATOM 702 CB PRO 91 -6.102 -7.086 -0.987 1.00 0.00 ATOM 703 CG PRO 91 -6.416 -7.413 -2.421 1.00 0.00 ATOM 704 CD PRO 91 -5.583 -8.644 -2.650 1.00 0.00 ATOM 705 O PRO 91 -4.508 -8.785 1.227 1.00 0.00 ATOM 706 C PRO 91 -4.666 -8.960 0.002 1.00 0.00 ATOM 707 N ASN 92 -4.909 -10.136 -0.515 1.00 0.00 ATOM 708 CA ASN 92 -4.989 -11.354 0.321 1.00 0.00 ATOM 709 CB ASN 92 -6.134 -12.264 -0.115 1.00 0.00 ATOM 710 CG ASN 92 -7.415 -11.468 0.146 1.00 0.00 ATOM 711 ND2 ASN 92 -7.379 -10.560 1.130 1.00 0.00 ATOM 712 OD1 ASN 92 -8.402 -11.720 -0.590 1.00 0.00 ATOM 713 O ASN 92 -3.573 -13.086 1.148 1.00 0.00 ATOM 714 C ASN 92 -3.687 -12.158 0.324 1.00 0.00 ATOM 715 N SER 93 -2.763 -11.826 -0.558 1.00 0.00 ATOM 716 CA SER 93 -1.477 -12.511 -0.642 1.00 0.00 ATOM 717 CB SER 93 -0.845 -12.172 -2.004 1.00 0.00 ATOM 718 OG SER 93 0.402 -12.852 -2.063 1.00 0.00 ATOM 719 O SER 93 -0.487 -11.006 0.983 1.00 0.00 ATOM 720 C SER 93 -0.557 -12.135 0.516 1.00 0.00 ATOM 721 N THR 94 0.156 -13.130 1.010 1.00 0.00 ATOM 722 CA THR 94 1.154 -12.997 2.064 1.00 0.00 ATOM 723 CB THR 94 0.520 -13.142 3.461 1.00 0.00 ATOM 724 CG2 THR 94 -0.020 -14.550 3.656 1.00 0.00 ATOM 725 OG1 THR 94 1.508 -12.881 4.465 1.00 0.00 ATOM 726 O THR 94 1.828 -15.173 1.383 1.00 0.00 ATOM 727 C THR 94 2.192 -14.092 1.866 1.00 0.00 ATOM 728 N THR 95 3.442 -13.843 2.201 1.00 0.00 ATOM 729 CA THR 95 4.518 -14.802 2.002 1.00 0.00 ATOM 730 CB THR 95 5.924 -14.234 1.637 1.00 0.00 ATOM 731 CG2 THR 95 5.908 -13.353 0.391 1.00 0.00 ATOM 732 OG1 THR 95 6.243 -13.329 2.748 1.00 0.00 ATOM 733 O THR 95 5.388 -16.856 2.921 1.00 0.00 ATOM 734 C THR 95 4.796 -15.790 3.143 1.00 0.00 ATOM 735 N SER 96 4.122 -15.163 4.361 1.00 0.00 ATOM 736 CA SER 96 4.364 -15.699 5.702 1.00 0.00 ATOM 737 CB SER 96 3.737 -14.795 6.764 1.00 0.00 ATOM 738 OG SER 96 2.319 -14.899 6.767 1.00 0.00 ATOM 739 O SER 96 2.997 -17.532 4.977 1.00 0.00 ATOM 740 C SER 96 3.764 -17.090 5.838 1.00 0.00 ATOM 741 N SER 97 4.066 -17.744 6.957 1.00 0.00 ATOM 742 CA SER 97 3.541 -19.077 7.245 1.00 0.00 ATOM 743 CB SER 97 4.546 -19.772 8.248 1.00 0.00 ATOM 744 OG SER 97 5.763 -19.983 7.534 1.00 0.00 ATOM 745 O SER 97 1.365 -20.095 7.289 1.00 0.00 ATOM 746 C SER 97 2.008 -19.063 7.386 1.00 0.00 ATOM 747 N LEU 98 1.437 -17.884 7.614 1.00 0.00 ATOM 748 CA LEU 98 -0.010 -17.748 7.731 1.00 0.00 ATOM 749 CB LEU 98 -0.345 -16.762 8.855 1.00 0.00 ATOM 750 CG LEU 98 0.245 -17.135 10.220 1.00 0.00 ATOM 751 CD1 LEU 98 -0.085 -16.061 11.244 1.00 0.00 ATOM 752 CD2 LEU 98 -0.291 -18.485 10.655 1.00 0.00 ATOM 753 O LEU 98 -1.924 -17.168 6.402 1.00 0.00 ATOM 754 C LEU 98 -0.706 -17.322 6.436 1.00 0.00 ATOM 755 N LYS 99 0.070 -17.130 5.378 1.00 0.00 ATOM 756 CA LYS 99 -0.482 -16.751 4.080 1.00 0.00 ATOM 757 CB LYS 99 -0.783 -18.228 3.294 1.00 0.00 ATOM 758 CG LYS 99 0.219 -19.382 3.395 1.00 0.00 ATOM 759 CD LYS 99 -0.250 -20.601 2.611 1.00 0.00 ATOM 760 CE LYS 99 0.710 -21.763 2.761 1.00 0.00 ATOM 761 NZ LYS 99 2.077 -21.393 2.306 1.00 0.00 ATOM 762 O LYS 99 -2.408 -15.423 3.494 1.00 0.00 ATOM 763 C LYS 99 -1.364 -15.504 4.148 1.00 0.00 ATOM 764 N THR 100 -0.935 -14.530 4.939 1.00 0.00 ATOM 765 CA THR 100 -1.676 -13.288 5.085 1.00 0.00 ATOM 766 CB THR 100 -2.753 -13.410 6.176 1.00 0.00 ATOM 767 CG2 THR 100 -3.367 -12.039 6.519 1.00 0.00 ATOM 768 OG1 THR 100 -3.780 -14.297 5.709 1.00 0.00 ATOM 769 O THR 100 0.226 -12.424 6.268 1.00 0.00 ATOM 770 C THR 100 -0.685 -12.194 5.472 1.00 0.00 ATOM 771 N LYS 101 -0.848 -11.012 4.896 1.00 0.00 ATOM 772 CA LYS 101 0.063 -9.916 5.190 1.00 0.00 ATOM 773 CB LYS 101 -0.184 -8.737 4.245 1.00 0.00 ATOM 774 CG LYS 101 0.155 -9.025 2.794 1.00 0.00 ATOM 775 CD LYS 101 1.627 -9.374 2.603 1.00 0.00 ATOM 776 CE LYS 101 1.950 -9.591 1.129 1.00 0.00 ATOM 777 NZ LYS 101 3.376 -9.967 0.914 1.00 0.00 ATOM 778 O LYS 101 -1.099 -8.988 7.070 1.00 0.00 ATOM 779 C LYS 101 -0.043 -9.438 6.627 1.00 0.00 ATOM 780 N GLY 102 1.068 -9.556 7.354 1.00 0.00 ATOM 781 CA GLY 102 1.110 -9.114 8.729 1.00 0.00 ATOM 782 O GLY 102 1.463 -7.035 7.643 1.00 0.00 ATOM 783 C GLY 102 1.222 -7.611 8.687 1.00 0.00 ATOM 784 N GLY 103 1.158 -6.998 9.855 1.00 0.00 ATOM 785 CA GLY 103 1.194 -5.555 10.008 1.00 0.00 ATOM 786 O GLY 103 1.232 -4.037 8.156 1.00 0.00 ATOM 787 C GLY 103 1.906 -4.703 8.947 1.00 0.00 ATOM 788 N ASN 104 3.231 -4.676 8.883 1.00 0.00 ATOM 789 CA ASN 104 3.811 -3.807 7.840 1.00 0.00 ATOM 790 CB ASN 104 4.917 -2.950 8.468 1.00 0.00 ATOM 791 CG ASN 104 6.075 -3.790 8.991 1.00 0.00 ATOM 792 ND2 ASN 104 5.761 -4.923 9.616 1.00 0.00 ATOM 793 OD1 ASN 104 7.239 -3.428 8.821 1.00 0.00 ATOM 794 O ASN 104 5.499 -4.514 6.326 1.00 0.00 ATOM 795 C ASN 104 4.341 -4.650 6.709 1.00 0.00 ATOM 796 N ALA 105 3.480 -5.545 6.214 1.00 0.00 ATOM 797 CA ALA 105 3.816 -6.504 5.165 1.00 0.00 ATOM 798 CB ALA 105 4.199 -5.809 3.873 1.00 0.00 ATOM 799 O ALA 105 5.613 -8.047 4.867 1.00 0.00 ATOM 800 C ALA 105 4.946 -7.407 5.658 1.00 0.00 ATOM 801 N GLY 106 5.124 -7.461 6.990 1.00 0.00 ATOM 802 CA GLY 106 6.172 -8.297 7.556 1.00 0.00 ATOM 803 O GLY 106 4.475 -9.941 8.017 1.00 0.00 ATOM 804 C GLY 106 5.657 -9.627 8.057 1.00 0.00 ATOM 805 N THR 107 6.621 -10.436 8.528 1.00 0.00 ATOM 806 CA THR 107 6.293 -11.726 9.119 1.00 0.00 ATOM 807 CB THR 107 7.764 -12.481 9.324 1.00 0.00 ATOM 808 CG2 THR 107 7.811 -14.036 9.340 1.00 0.00 ATOM 809 OG1 THR 107 8.738 -11.990 8.403 1.00 0.00 ATOM 810 O THR 107 5.243 -12.408 11.159 1.00 0.00 ATOM 811 C THR 107 5.816 -11.510 10.549 1.00 0.00 ATOM 812 N LYS 108 6.105 -10.296 11.044 1.00 0.00 ATOM 813 CA LYS 108 5.731 -10.020 12.439 1.00 0.00 ATOM 814 CB LYS 108 6.417 -8.744 12.910 1.00 0.00 ATOM 815 CG LYS 108 5.950 -7.436 12.312 1.00 0.00 ATOM 816 CD LYS 108 6.906 -6.306 12.682 1.00 0.00 ATOM 817 CE LYS 108 6.628 -5.049 11.875 1.00 0.00 ATOM 818 NZ LYS 108 7.821 -4.150 11.892 1.00 0.00 ATOM 819 O LYS 108 3.734 -10.484 13.677 1.00 0.00 ATOM 820 C LYS 108 4.226 -10.008 12.634 1.00 0.00 ATOM 821 N ALA 109 3.410 -9.515 11.720 1.00 0.00 ATOM 822 CA ALA 109 1.961 -9.583 11.901 1.00 0.00 ATOM 823 CB ALA 109 1.202 -8.819 10.848 1.00 0.00 ATOM 824 O ALA 109 0.521 -11.401 12.717 1.00 0.00 ATOM 825 C ALA 109 1.410 -11.036 11.932 1.00 0.00 ATOM 826 N TYR 110 1.964 -11.852 11.021 1.00 0.00 ATOM 827 CA TYR 110 1.629 -13.264 10.874 1.00 0.00 ATOM 828 CB TYR 110 0.790 -13.506 9.618 1.00 0.00 ATOM 829 CG TYR 110 -0.527 -12.794 9.653 1.00 0.00 ATOM 830 CD1 TYR 110 -0.634 -11.459 9.235 1.00 0.00 ATOM 831 CD2 TYR 110 -1.660 -13.428 10.170 1.00 0.00 ATOM 832 CE1 TYR 110 -1.851 -10.765 9.337 1.00 0.00 ATOM 833 CE2 TYR 110 -2.874 -12.753 10.277 1.00 0.00 ATOM 834 CZ TYR 110 -2.960 -11.415 9.863 1.00 0.00 ATOM 835 OH TYR 110 -4.153 -10.737 10.001 1.00 0.00 ATOM 836 O TYR 110 3.862 -13.535 10.046 1.00 0.00 ATOM 837 C TYR 110 2.949 -14.001 10.717 1.00 0.00 ATOM 838 N ASN 111 3.055 -15.152 11.371 1.00 0.00 ATOM 839 CA ASN 111 4.289 -15.964 11.227 1.00 0.00 ATOM 840 CB ASN 111 4.400 -16.983 12.379 1.00 0.00 ATOM 841 CG ASN 111 4.817 -16.221 13.649 1.00 0.00 ATOM 842 ND2 ASN 111 4.103 -16.406 14.757 1.00 0.00 ATOM 843 OD1 ASN 111 5.764 -15.401 13.615 1.00 0.00 ATOM 844 O ASN 111 5.385 -16.458 9.182 1.00 0.00 ATOM 845 C ASN 111 4.279 -16.535 9.830 1.00 0.00 TER END ################################ # # # END # # # ################################