From mailer@bialko.llnl.gov Fri Jul 26 15:29:39 2002 Date: Fri, 26 Jul 2002 15:29:34 -0700 (PDT) From: Automatic Reply To: karplus@bray.cse.ucsc.edu Subject: SAM-T02-human T0139 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Jul 26 15:02:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_141843_15900 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139SS001_1 Current information on models submitted in prediction T0139SS001 MODEL_INDEX PIN CODE DATE E-mail T0139SS001_1 PIN_141843_15900 4069-6308-1312 07/26/02 15:02:12 karplus@bray.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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139SS001_1 PIN_141843_15900 4069-6308-1312 07/26/02 15:02:12 karplus@bray.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 T0139 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: 83 # Number of residues with nonzero confidence: 83 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0139 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0139.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0139.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0139.t2k.str.rdb (weight 1.53983) METHOD T0139.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 T0139.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.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 3 METHOD METHOD ============================================ METHOD Comments from T0139.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.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 3 METHOD METHOD ============================================ METHOD Comments from T0139.t2k.str.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.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 3 METHOD METHOD ============================================ METHOD Comments from T0139.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0139 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 T0139.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 3 METHOD METHOD ============================================ MODEL 1 T C 0.82 G C 0.78 I C 0.66 S C 0.67 R C 0.48 E H 0.49 T H 0.55 S H 0.69 S H 0.76 D H 0.87 V H 0.88 A H 0.87 L H 0.86 A H 0.89 S H 0.89 H H 0.89 I H 0.90 L H 0.91 T H 0.90 A H 0.86 L H 0.77 R H 0.68 E C 0.52 K C 0.75 Q C 0.82 A C 0.84 P C 0.81 E C 0.60 L C 0.54 S C 0.54 L C 0.61 S C 0.67 S C 0.50 Q C 0.52 D C 0.51 L H 0.57 E H 0.58 L H 0.55 V C 0.51 T C 0.61 K C 0.59 E C 0.65 D C 0.82 P H 0.62 K H 0.68 A H 0.72 L H 0.74 A H 0.67 V H 0.59 A H 0.56 L H 0.45 N C 0.45 W C 0.50 D C 0.53 I H 0.50 K H 0.49 K H 0.54 T H 0.63 E H 0.76 T H 0.79 V H 0.87 Q H 0.88 E H 0.89 A H 0.86 C H 0.82 E H 0.87 R H 0.88 E H 0.89 L H 0.90 A H 0.89 L H 0.87 R H 0.85 L H 0.87 Q H 0.84 Q H 0.82 T H 0.74 Q H 0.72 S H 0.66 L H 0.64 H H 0.51 S C 0.57 L C 0.72 R C 0.91 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 18:25:16 2002 Date: Thu, 15 Aug 2002 18:25:02 -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 Thu Aug 15 17:57:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_745057_25443 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS001_1 Current information on models submitted in prediction T0139TS001 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_1 PIN_745057_25443 4069-6308-1312 08/15/02 17:57:06 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_1 PIN_745057_25443 4069-6308-1312 08/15/02 17:57:06 karplus@cse.ucsc.edu T0139SS001_1 PIN_141843_15900 4069-6308-1312 07/26/02 15:02:12 karplus@bray.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 T0139 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: T0139 # Total number of residues in target: 83 # Total number of residues in model: 83 # Total number of atoms in model: 645 # Number of atoms with 1.0 occupancy: 645 # Number of fragments in model: 1 # Number of METHOD records: 98 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 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 MODEL 1 PARENT N/A ATOM 1 N THR 225 -8.201 -74.960 -0.368 1.00 0.00 ATOM 2 CA THR 225 -7.451 -74.532 -1.579 1.00 0.00 ATOM 3 CB THR 225 -7.008 -75.740 -2.424 1.00 0.00 ATOM 4 CG2 THR 225 -6.187 -75.282 -3.620 1.00 0.00 ATOM 5 OG1 THR 225 -6.209 -76.620 -1.622 1.00 0.00 ATOM 6 O THR 225 -8.527 -72.436 -2.164 1.00 0.00 ATOM 7 C THR 225 -8.334 -73.645 -2.437 1.00 0.00 ATOM 8 N GLY 226 -8.809 -74.311 -3.488 1.00 0.00 ATOM 9 CA GLY 226 -9.698 -73.689 -4.456 1.00 0.00 ATOM 10 O GLY 226 -11.220 -75.540 -4.442 1.00 0.00 ATOM 11 C GLY 226 -11.009 -74.374 -4.093 1.00 0.00 ATOM 12 N ILE 227 -11.898 -73.648 -3.436 1.00 0.00 ATOM 13 CA ILE 227 -13.144 -74.231 -2.933 1.00 0.00 ATOM 14 CB ILE 227 -13.849 -73.290 -1.939 1.00 0.00 ATOM 15 CG1 ILE 227 -14.261 -71.991 -2.637 1.00 0.00 ATOM 16 CG2 ILE 227 -12.922 -72.943 -0.784 1.00 0.00 ATOM 17 CD1 ILE 227 -15.140 -71.095 -1.791 1.00 0.00 ATOM 18 O ILE 227 -15.084 -75.334 -3.793 1.00 0.00 ATOM 19 C ILE 227 -14.172 -74.539 -4.017 1.00 0.00 ATOM 20 N SER 228 -14.023 -73.902 -5.186 1.00 0.00 ATOM 21 CA SER 228 -14.962 -74.099 -6.277 1.00 0.00 ATOM 22 CB SER 228 -14.520 -73.310 -7.511 1.00 0.00 ATOM 23 OG SER 228 -14.578 -71.915 -7.271 1.00 0.00 ATOM 24 O SER 228 -16.136 -76.104 -6.925 1.00 0.00 ATOM 25 C SER 228 -15.048 -75.566 -6.658 1.00 0.00 ATOM 26 N ARG 229 -13.894 -76.237 -6.718 1.00 0.00 ATOM 27 CA ARG 229 -13.926 -77.685 -7.079 1.00 0.00 ATOM 28 CB ARG 229 -12.745 -78.039 -7.985 1.00 0.00 ATOM 29 CG ARG 229 -12.816 -77.412 -9.368 1.00 0.00 ATOM 30 CD ARG 229 -11.603 -77.786 -10.206 1.00 0.00 ATOM 31 NE ARG 229 -11.646 -77.177 -11.533 1.00 0.00 ATOM 32 CZ ARG 229 -10.667 -77.268 -12.428 1.00 0.00 ATOM 33 NH1 ARG 229 -10.795 -76.681 -13.610 1.00 0.00 ATOM 34 NH2 ARG 229 -9.564 -77.945 -12.138 1.00 0.00 ATOM 35 O ARG 229 -12.787 -78.589 -5.188 1.00 0.00 ATOM 36 C ARG 229 -13.843 -78.441 -5.773 1.00 0.00 ATOM 37 N GLU 230 -15.028 -78.899 -5.349 1.00 0.00 ATOM 38 CA GLU 230 -15.108 -79.596 -4.063 1.00 0.00 ATOM 39 CB GLU 230 -16.539 -80.064 -3.795 1.00 0.00 ATOM 40 CG GLU 230 -17.521 -78.936 -3.522 1.00 0.00 ATOM 41 CD GLU 230 -18.937 -79.435 -3.314 1.00 0.00 ATOM 42 OE1 GLU 230 -19.160 -80.658 -3.434 1.00 0.00 ATOM 43 OE2 GLU 230 -19.824 -78.602 -3.032 1.00 0.00 ATOM 44 O GLU 230 -13.509 -81.079 -3.036 1.00 0.00 ATOM 45 C GLU 230 -14.192 -80.823 -4.048 1.00 0.00 ATOM 46 N THR 231 -14.128 -81.560 -5.161 1.00 0.00 ATOM 47 CA THR 231 -13.256 -82.722 -5.230 1.00 0.00 ATOM 48 CB THR 231 -13.528 -83.494 -6.526 1.00 0.00 ATOM 49 CG2 THR 231 -12.690 -84.769 -6.644 1.00 0.00 ATOM 50 OG1 THR 231 -14.922 -83.805 -6.522 1.00 0.00 ATOM 51 O THR 231 -10.972 -82.887 -4.467 1.00 0.00 ATOM 52 C THR 231 -11.795 -82.288 -5.164 1.00 0.00 ATOM 53 N SER 232 -11.465 -81.183 -5.820 1.00 0.00 ATOM 54 CA SER 232 -10.108 -80.644 -5.821 1.00 0.00 ATOM 55 CB SER 232 -10.021 -79.417 -6.731 1.00 0.00 ATOM 56 OG SER 232 -10.239 -79.770 -8.086 1.00 0.00 ATOM 57 O SER 232 -8.653 -80.493 -3.906 1.00 0.00 ATOM 58 C SER 232 -9.765 -80.249 -4.387 1.00 0.00 ATOM 59 N SER 233 -10.695 -79.618 -3.673 1.00 0.00 ATOM 60 CA SER 233 -10.440 -79.161 -2.327 1.00 0.00 ATOM 61 CB SER 233 -11.627 -78.349 -1.805 1.00 0.00 ATOM 62 OG SER 233 -11.785 -77.147 -2.538 1.00 0.00 ATOM 63 O SER 233 -9.342 -80.245 -0.481 1.00 0.00 ATOM 64 C SER 233 -10.211 -80.327 -1.356 1.00 0.00 ATOM 65 N ASP 234 -11.002 -81.392 -1.477 1.00 0.00 ATOM 66 CA ASP 234 -10.809 -82.569 -0.645 1.00 0.00 ATOM 67 CB ASP 234 -11.886 -83.615 -0.937 1.00 0.00 ATOM 68 CG ASP 234 -13.248 -83.212 -0.407 1.00 0.00 ATOM 69 OD1 ASP 234 -14.175 -84.048 -0.454 1.00 0.00 ATOM 70 OD2 ASP 234 -13.389 -82.060 0.056 1.00 0.00 ATOM 71 O ASP 234 -8.677 -83.419 -0.058 1.00 0.00 ATOM 72 C ASP 234 -9.424 -83.132 -0.975 1.00 0.00 ATOM 73 N VAL 235 -8.984 -83.259 -2.246 1.00 0.00 ATOM 74 CA VAL 235 -7.678 -83.808 -2.666 1.00 0.00 ATOM 75 CB VAL 235 -7.528 -83.799 -4.199 1.00 0.00 ATOM 76 CG1 VAL 235 -6.109 -84.173 -4.596 1.00 0.00 ATOM 77 CG2 VAL 235 -8.484 -84.798 -4.833 1.00 0.00 ATOM 78 O VAL 235 -5.663 -83.426 -1.381 1.00 0.00 ATOM 79 C VAL 235 -6.565 -82.959 -2.059 1.00 0.00 ATOM 80 N ALA 236 -6.729 -81.663 -2.299 1.00 0.00 ATOM 81 CA ALA 236 -5.888 -80.669 -1.651 1.00 0.00 ATOM 82 CB ALA 236 -6.337 -79.266 -2.031 1.00 0.00 ATOM 83 O ALA 236 -4.982 -80.717 0.579 1.00 0.00 ATOM 84 C ALA 236 -5.971 -80.812 -0.115 1.00 0.00 ATOM 85 N LEU 237 -7.160 -81.075 0.398 1.00 0.00 ATOM 86 CA LEU 237 -7.369 -81.208 1.820 1.00 0.00 ATOM 87 CB LEU 237 -8.865 -81.256 2.138 1.00 0.00 ATOM 88 CG LEU 237 -9.638 -79.947 1.959 1.00 0.00 ATOM 89 CD1 LEU 237 -11.127 -80.167 2.186 1.00 0.00 ATOM 90 CD2 LEU 237 -9.157 -78.898 2.951 1.00 0.00 ATOM 91 O LEU 237 -6.070 -82.410 3.423 1.00 0.00 ATOM 92 C LEU 237 -6.746 -82.469 2.383 1.00 0.00 ATOM 93 N ALA 238 -6.996 -83.626 1.770 1.00 0.00 ATOM 94 CA ALA 238 -6.442 -84.880 2.290 1.00 0.00 ATOM 95 CB ALA 238 -7.025 -86.091 1.547 1.00 0.00 ATOM 96 O ALA 238 -4.257 -85.392 3.068 1.00 0.00 ATOM 97 C ALA 238 -4.927 -84.909 2.153 1.00 0.00 ATOM 98 N SER 239 -4.408 -84.418 1.032 1.00 0.00 ATOM 99 CA SER 239 -2.949 -84.384 0.824 1.00 0.00 ATOM 100 CB SER 239 -2.671 -83.937 -0.622 1.00 0.00 ATOM 101 OG SER 239 -1.274 -83.796 -0.863 1.00 0.00 ATOM 102 O SER 239 -1.210 -83.814 2.376 1.00 0.00 ATOM 103 C SER 239 -2.283 -83.457 1.832 1.00 0.00 ATOM 104 N HIS 240 -2.881 -82.304 2.111 1.00 0.00 ATOM 105 CA HIS 240 -2.339 -81.379 3.058 1.00 0.00 ATOM 106 CB HIS 240 -2.635 -79.940 2.631 1.00 0.00 ATOM 107 CG HIS 240 -1.931 -79.525 1.377 1.00 0.00 ATOM 108 CD2 HIS 240 -2.017 -78.394 0.465 1.00 0.00 ATOM 109 ND1 HIS 240 -0.928 -80.275 0.804 1.00 0.00 ATOM 110 CE1 HIS 240 -0.492 -79.650 -0.305 1.00 0.00 ATOM 111 NE2 HIS 240 -1.142 -78.521 -0.515 1.00 0.00 ATOM 112 O HIS 240 -2.649 -80.530 5.193 1.00 0.00 ATOM 113 C HIS 240 -2.849 -81.487 4.460 1.00 0.00 ATOM 114 N ILE 241 -3.358 -82.604 4.952 1.00 0.00 ATOM 115 CA ILE 241 -3.998 -82.541 6.265 1.00 0.00 ATOM 116 CB ILE 241 -4.682 -83.874 6.622 1.00 0.00 ATOM 117 CG1 ILE 241 -5.866 -84.134 5.687 1.00 0.00 ATOM 118 CG2 ILE 241 -5.198 -83.841 8.052 1.00 0.00 ATOM 119 CD1 ILE 241 -6.442 -85.527 5.804 1.00 0.00 ATOM 120 O ILE 241 -3.215 -81.333 8.182 1.00 0.00 ATOM 121 C ILE 241 -3.041 -82.246 7.376 1.00 0.00 ATOM 122 N LEU 242 -1.957 -83.005 7.350 1.00 0.00 ATOM 123 CA LEU 242 -0.905 -82.892 8.351 1.00 0.00 ATOM 124 CB LEU 242 0.255 -83.834 8.018 1.00 0.00 ATOM 125 CG LEU 242 -0.018 -85.330 8.186 1.00 0.00 ATOM 126 CD1 LEU 242 1.168 -86.150 7.703 1.00 0.00 ATOM 127 CD2 LEU 242 -0.268 -85.669 9.648 1.00 0.00 ATOM 128 O LEU 242 -0.022 -80.989 9.504 1.00 0.00 ATOM 129 C LEU 242 -0.351 -81.474 8.421 1.00 0.00 ATOM 130 N THR 243 -0.289 -80.792 7.282 1.00 0.00 ATOM 131 CA THR 243 0.222 -79.423 7.249 1.00 0.00 ATOM 132 CB THR 243 0.498 -78.959 5.807 1.00 0.00 ATOM 133 CG2 THR 243 0.993 -77.521 5.797 1.00 0.00 ATOM 134 OG1 THR 243 1.497 -79.797 5.215 1.00 0.00 ATOM 135 O THR 243 -0.453 -77.516 8.551 1.00 0.00 ATOM 136 C THR 243 -0.808 -78.482 7.873 1.00 0.00 ATOM 137 N ALA 244 -2.084 -78.771 7.625 1.00 0.00 ATOM 138 CA ALA 244 -3.178 -77.959 8.164 1.00 0.00 ATOM 139 CB ALA 244 -4.520 -78.492 7.687 1.00 0.00 ATOM 140 O ALA 244 -3.407 -76.934 10.315 1.00 0.00 ATOM 141 C ALA 244 -3.188 -77.967 9.690 1.00 0.00 ATOM 142 N LEU 245 -2.951 -79.130 10.284 1.00 0.00 ATOM 143 CA LEU 245 -2.977 -79.244 11.733 1.00 0.00 ATOM 144 CB LEU 245 -2.975 -80.714 12.155 1.00 0.00 ATOM 145 CG LEU 245 -3.178 -80.990 13.646 1.00 0.00 ATOM 146 CD1 LEU 245 -4.548 -80.512 14.101 1.00 0.00 ATOM 147 CD2 LEU 245 -3.076 -82.481 13.936 1.00 0.00 ATOM 148 O LEU 245 -1.899 -78.075 13.520 1.00 0.00 ATOM 149 C LEU 245 -1.774 -78.579 12.405 1.00 0.00 ATOM 150 N ARG 246 -0.620 -78.573 11.730 1.00 0.00 ATOM 151 CA ARG 246 0.602 -77.979 12.299 1.00 0.00 ATOM 152 CB ARG 246 1.842 -78.722 11.799 1.00 0.00 ATOM 153 CG ARG 246 1.929 -80.167 12.265 1.00 0.00 ATOM 154 CD ARG 246 3.171 -80.850 11.715 1.00 0.00 ATOM 155 NE ARG 246 3.259 -82.246 12.138 1.00 0.00 ATOM 156 CZ ARG 246 4.197 -83.093 11.724 1.00 0.00 ATOM 157 NH1 ARG 246 4.198 -84.344 12.163 1.00 0.00 ATOM 158 NH2 ARG 246 5.129 -82.687 10.873 1.00 0.00 ATOM 159 O ARG 246 1.629 -75.811 12.523 1.00 0.00 ATOM 160 C ARG 246 0.788 -76.495 11.929 1.00 0.00 ATOM 161 N GLU 247 0.021 -76.010 10.944 1.00 0.00 ATOM 162 CA GLU 247 0.179 -74.649 10.455 1.00 0.00 ATOM 163 CB GLU 247 -0.856 -74.346 9.370 1.00 0.00 ATOM 164 CG GLU 247 -0.720 -72.965 8.752 1.00 0.00 ATOM 165 CD GLU 247 -1.729 -72.719 7.647 1.00 0.00 ATOM 166 OE1 GLU 247 -2.536 -73.629 7.366 1.00 0.00 ATOM 167 OE2 GLU 247 -1.712 -71.615 7.061 1.00 0.00 ATOM 168 O GLU 247 0.779 -72.677 11.666 1.00 0.00 ATOM 169 C GLU 247 0.001 -73.621 11.557 1.00 0.00 ATOM 170 N LYS 248 -1.013 -73.823 12.384 1.00 0.00 ATOM 171 CA LYS 248 -1.282 -72.920 13.492 1.00 0.00 ATOM 172 CB LYS 248 -2.605 -73.283 14.171 1.00 0.00 ATOM 173 CG LYS 248 -3.832 -73.026 13.312 1.00 0.00 ATOM 174 CD LYS 248 -4.018 -71.542 13.044 1.00 0.00 ATOM 175 CE LYS 248 -5.316 -71.272 12.301 1.00 0.00 ATOM 176 NZ LYS 248 -5.274 -71.786 10.904 1.00 0.00 ATOM 177 O LYS 248 0.325 -71.974 15.009 1.00 0.00 ATOM 178 C LYS 248 -0.164 -73.005 14.534 1.00 0.00 ATOM 179 N GLN 249 0.575 -74.066 14.477 1.00 0.00 ATOM 180 CA GLN 249 1.632 -74.317 15.450 1.00 0.00 ATOM 181 CB GLN 249 2.282 -75.680 15.195 1.00 0.00 ATOM 182 CG GLN 249 1.374 -76.864 15.487 1.00 0.00 ATOM 183 CD GLN 249 2.027 -78.192 15.159 1.00 0.00 ATOM 184 OE1 GLN 249 3.163 -78.237 14.686 1.00 0.00 ATOM 185 NE2 GLN 249 1.310 -79.280 15.411 1.00 0.00 ATOM 186 O GLN 249 3.383 -72.973 16.402 1.00 0.00 ATOM 187 C GLN 249 2.731 -73.262 15.384 1.00 0.00 ATOM 188 N ALA 250 2.948 -72.678 14.207 1.00 0.00 ATOM 189 CA ALA 250 3.948 -71.630 14.030 1.00 0.00 ATOM 190 CB ALA 250 5.234 -72.216 13.468 1.00 0.00 ATOM 191 O ALA 250 3.759 -70.552 11.881 1.00 0.00 ATOM 192 C ALA 250 3.370 -70.603 13.055 1.00 0.00 ATOM 193 N PRO 251 2.428 -69.770 13.534 1.00 0.00 ATOM 194 CA PRO 251 1.737 -68.724 12.777 1.00 0.00 ATOM 195 CB PRO 251 0.931 -67.970 13.837 1.00 0.00 ATOM 196 CG PRO 251 0.722 -68.968 14.926 1.00 0.00 ATOM 197 CD PRO 251 1.989 -69.772 15.003 1.00 0.00 ATOM 198 O PRO 251 2.279 -67.154 11.051 1.00 0.00 ATOM 199 C PRO 251 2.674 -67.764 12.046 1.00 0.00 ATOM 200 N GLU 252 3.882 -67.654 12.528 1.00 0.00 ATOM 201 CA GLU 252 4.826 -66.734 11.883 1.00 0.00 ATOM 202 CB GLU 252 6.001 -66.432 12.816 1.00 0.00 ATOM 203 CG GLU 252 5.625 -65.616 14.043 1.00 0.00 ATOM 204 CD GLU 252 6.800 -65.381 14.969 1.00 0.00 ATOM 205 OE1 GLU 252 7.900 -65.900 14.678 1.00 0.00 ATOM 206 OE2 GLU 252 6.625 -64.678 15.987 1.00 0.00 ATOM 207 O GLU 252 5.419 -66.749 9.616 1.00 0.00 ATOM 208 C GLU 252 5.333 -67.374 10.641 1.00 0.00 ATOM 209 N LEU 253 5.565 -68.688 10.817 1.00 0.00 ATOM 210 CA LEU 253 6.060 -69.533 9.737 1.00 0.00 ATOM 211 CB LEU 253 6.421 -70.922 10.266 1.00 0.00 ATOM 212 CG LEU 253 7.020 -71.900 9.253 1.00 0.00 ATOM 213 CD1 LEU 253 8.351 -71.383 8.731 1.00 0.00 ATOM 214 CD2 LEU 253 7.255 -73.261 9.893 1.00 0.00 ATOM 215 O LEU 253 5.239 -69.621 7.470 1.00 0.00 ATOM 216 C LEU 253 4.966 -69.665 8.672 1.00 0.00 ATOM 217 N SER 254 3.721 -69.821 9.119 1.00 0.00 ATOM 218 CA SER 254 2.604 -69.943 8.188 1.00 0.00 ATOM 219 CB SER 254 1.292 -70.141 8.950 1.00 0.00 ATOM 220 OG SER 254 0.981 -69.002 9.734 1.00 0.00 ATOM 221 O SER 254 2.247 -68.791 6.117 1.00 0.00 ATOM 222 C SER 254 2.467 -68.696 7.326 1.00 0.00 ATOM 223 N LEU 255 2.600 -67.530 7.951 1.00 0.00 ATOM 224 CA LEU 255 2.495 -66.269 7.234 1.00 0.00 ATOM 225 CB LEU 255 2.724 -65.091 8.184 1.00 0.00 ATOM 226 CG LEU 255 2.590 -63.695 7.576 1.00 0.00 ATOM 227 CD1 LEU 255 1.172 -63.456 7.081 1.00 0.00 ATOM 228 CD2 LEU 255 2.919 -62.625 8.606 1.00 0.00 ATOM 229 O LEU 255 3.239 -65.727 5.017 1.00 0.00 ATOM 230 C LEU 255 3.534 -66.190 6.118 1.00 0.00 ATOM 231 N SER 256 4.734 -66.634 6.362 1.00 0.00 ATOM 232 CA SER 256 5.831 -66.599 5.424 1.00 0.00 ATOM 233 CB SER 256 7.149 -66.927 6.129 1.00 0.00 ATOM 234 OG SER 256 7.450 -65.962 7.121 1.00 0.00 ATOM 235 O SER 256 6.885 -67.799 3.750 1.00 0.00 ATOM 236 C SER 256 5.782 -67.551 4.247 1.00 0.00 ATOM 237 N SER 257 4.665 -68.074 3.840 1.00 0.00 ATOM 238 CA SER 257 4.682 -69.043 2.741 1.00 0.00 ATOM 239 CB SER 257 4.772 -70.494 3.273 1.00 0.00 ATOM 240 OG SER 257 5.841 -70.476 4.212 1.00 0.00 ATOM 241 O SER 257 2.406 -68.580 2.536 1.00 0.00 ATOM 242 C SER 257 3.431 -68.931 1.942 1.00 0.00 ATOM 243 N GLN 258 3.449 -69.305 0.666 1.00 0.00 ATOM 244 CA GLN 258 2.199 -69.189 -0.079 1.00 0.00 ATOM 245 CB GLN 258 2.325 -69.231 -1.581 1.00 0.00 ATOM 246 CG GLN 258 2.627 -70.461 -2.362 1.00 0.00 ATOM 247 CD GLN 258 3.073 -70.215 -3.803 1.00 0.00 ATOM 248 OE1 GLN 258 3.530 -71.161 -4.458 1.00 0.00 ATOM 249 NE2 GLN 258 2.995 -69.025 -4.368 1.00 0.00 ATOM 250 O GLN 258 0.014 -70.052 0.075 1.00 0.00 ATOM 251 C GLN 258 1.174 -70.208 0.436 1.00 0.00 ATOM 252 N ASP 259 1.600 -71.217 1.178 1.00 0.00 ATOM 253 CA ASP 259 0.642 -72.244 1.603 1.00 0.00 ATOM 254 CB ASP 259 1.328 -73.500 2.124 1.00 0.00 ATOM 255 CG ASP 259 1.832 -74.303 0.910 1.00 0.00 ATOM 256 OD1 ASP 259 1.189 -74.393 -0.156 1.00 0.00 ATOM 257 OD2 ASP 259 2.936 -74.831 1.023 1.00 0.00 ATOM 258 O ASP 259 -1.401 -72.366 2.825 1.00 0.00 ATOM 259 C ASP 259 -0.369 -71.730 2.628 1.00 0.00 ATOM 260 N LEU 260 -0.084 -70.642 3.328 1.00 0.00 ATOM 261 CA LEU 260 -1.090 -70.066 4.220 1.00 0.00 ATOM 262 CB LEU 260 -0.566 -68.778 4.859 1.00 0.00 ATOM 263 CG LEU 260 -1.509 -68.073 5.836 1.00 0.00 ATOM 264 CD1 LEU 260 -1.791 -68.956 7.042 1.00 0.00 ATOM 265 CD2 LEU 260 -0.895 -66.774 6.334 1.00 0.00 ATOM 266 O LEU 260 -3.487 -70.060 3.834 1.00 0.00 ATOM 267 C LEU 260 -2.361 -69.735 3.453 1.00 0.00 ATOM 268 N GLU 261 -2.178 -69.007 2.343 1.00 0.00 ATOM 269 CA GLU 261 -3.307 -68.618 1.528 1.00 0.00 ATOM 270 CB GLU 261 -2.850 -67.730 0.369 1.00 0.00 ATOM 271 CG GLU 261 -3.981 -67.240 -0.521 1.00 0.00 ATOM 272 CD GLU 261 -3.496 -66.321 -1.626 1.00 0.00 ATOM 273 OE1 GLU 261 -2.276 -66.071 -1.698 1.00 0.00 ATOM 274 OE2 GLU 261 -4.338 -65.853 -2.421 1.00 0.00 ATOM 275 O GLU 261 -5.264 -69.847 0.963 1.00 0.00 ATOM 276 C GLU 261 -4.038 -69.790 0.921 1.00 0.00 ATOM 277 N LEU 262 -3.487 -70.786 0.299 1.00 0.00 ATOM 278 CA LEU 262 -4.319 -71.860 -0.275 1.00 0.00 ATOM 279 CB LEU 262 -3.449 -72.849 -1.047 1.00 0.00 ATOM 280 CG LEU 262 -2.789 -72.343 -2.328 1.00 0.00 ATOM 281 CD1 LEU 262 -1.839 -73.398 -2.866 1.00 0.00 ATOM 282 CD2 LEU 262 -3.838 -71.984 -3.380 1.00 0.00 ATOM 283 O LEU 262 -6.210 -72.894 0.736 1.00 0.00 ATOM 284 C LEU 262 -5.039 -72.559 0.897 1.00 0.00 ATOM 285 N VAL 263 -4.333 -72.792 2.004 1.00 0.00 ATOM 286 CA VAL 263 -4.972 -73.437 3.161 1.00 0.00 ATOM 287 CB VAL 263 -3.941 -73.802 4.245 1.00 0.00 ATOM 288 CG1 VAL 263 -4.641 -74.296 5.502 1.00 0.00 ATOM 289 CG2 VAL 263 -3.013 -74.899 3.749 1.00 0.00 ATOM 290 O VAL 263 -7.132 -72.959 4.020 1.00 0.00 ATOM 291 C VAL 263 -6.000 -72.513 3.789 1.00 0.00 ATOM 292 N THR 264 -5.606 -71.260 4.026 1.00 0.00 ATOM 293 CA THR 264 -6.549 -70.363 4.731 1.00 0.00 ATOM 294 CB THR 264 -5.853 -69.077 5.215 1.00 0.00 ATOM 295 CG2 THR 264 -6.846 -68.165 5.918 1.00 0.00 ATOM 296 OG1 THR 264 -4.803 -69.414 6.130 1.00 0.00 ATOM 297 O THR 264 -8.799 -69.668 4.506 1.00 0.00 ATOM 298 C THR 264 -7.718 -69.901 3.914 1.00 0.00 ATOM 299 N LYS 265 -7.608 -69.842 2.603 1.00 0.00 ATOM 300 CA LYS 265 -8.775 -69.415 1.820 1.00 0.00 ATOM 301 CB LYS 265 -8.331 -68.671 0.559 1.00 0.00 ATOM 302 CG LYS 265 -7.497 -69.510 -0.396 1.00 0.00 ATOM 303 CD LYS 265 -7.079 -68.706 -1.615 1.00 0.00 ATOM 304 CE LYS 265 -6.248 -69.547 -2.571 1.00 0.00 ATOM 305 NZ LYS 265 -5.820 -68.768 -3.767 1.00 0.00 ATOM 306 O LYS 265 -10.727 -70.369 0.800 1.00 0.00 ATOM 307 C LYS 265 -9.644 -70.571 1.371 1.00 0.00 ATOM 308 N GLU 266 -9.244 -71.792 2.056 1.00 0.00 ATOM 309 CA GLU 266 -9.850 -73.095 1.813 1.00 0.00 ATOM 310 CB GLU 266 -8.771 -74.168 1.659 1.00 0.00 ATOM 311 CG GLU 266 -9.302 -75.527 1.231 1.00 0.00 ATOM 312 CD GLU 266 -8.197 -76.539 1.004 1.00 0.00 ATOM 313 OE1 GLU 266 -7.418 -76.791 1.949 1.00 0.00 ATOM 314 OE2 GLU 266 -8.108 -77.081 -0.118 1.00 0.00 ATOM 315 O GLU 266 -10.417 -72.903 4.163 1.00 0.00 ATOM 316 C GLU 266 -10.726 -73.365 3.045 1.00 0.00 ATOM 317 N ASP 267 -11.808 -74.107 2.886 1.00 0.00 ATOM 318 CA ASP 267 -12.686 -74.384 4.016 1.00 0.00 ATOM 319 CB ASP 267 -13.930 -75.130 3.480 1.00 0.00 ATOM 320 CG ASP 267 -14.967 -75.440 4.528 1.00 0.00 ATOM 321 OD1 ASP 267 -14.749 -76.325 5.341 1.00 0.00 ATOM 322 OD2 ASP 267 -15.999 -74.805 4.534 1.00 0.00 ATOM 323 O ASP 267 -11.141 -76.089 4.564 1.00 0.00 ATOM 324 C ASP 267 -11.890 -75.222 5.023 1.00 0.00 ATOM 325 N PRO 268 -11.965 -75.087 6.366 1.00 0.00 ATOM 326 CA PRO 268 -11.132 -75.829 7.294 1.00 0.00 ATOM 327 CB PRO 268 -11.414 -75.207 8.647 1.00 0.00 ATOM 328 CG PRO 268 -12.817 -74.708 8.523 1.00 0.00 ATOM 329 CD PRO 268 -12.780 -74.128 7.110 1.00 0.00 ATOM 330 O PRO 268 -10.571 -78.095 7.739 1.00 0.00 ATOM 331 C PRO 268 -11.396 -77.324 7.258 1.00 0.00 ATOM 332 N LYS 269 -12.932 -77.957 6.598 1.00 0.00 ATOM 333 CA LYS 269 -13.318 -79.344 6.834 1.00 0.00 ATOM 334 CB LYS 269 -14.540 -79.710 5.991 1.00 0.00 ATOM 335 CG LYS 269 -15.819 -79.006 6.413 1.00 0.00 ATOM 336 CD LYS 269 -16.995 -79.426 5.544 1.00 0.00 ATOM 337 CE LYS 269 -18.274 -78.721 5.966 1.00 0.00 ATOM 338 NZ LYS 269 -19.430 -79.114 5.115 1.00 0.00 ATOM 339 O LYS 269 -12.118 -81.435 6.896 1.00 0.00 ATOM 340 C LYS 269 -12.158 -80.286 6.457 1.00 0.00 ATOM 341 N ALA 270 -11.220 -79.791 5.658 1.00 0.00 ATOM 342 CA ALA 270 -10.057 -80.589 5.241 1.00 0.00 ATOM 343 CB ALA 270 -9.185 -79.792 4.284 1.00 0.00 ATOM 344 O ALA 270 -8.538 -82.049 6.392 1.00 0.00 ATOM 345 C ALA 270 -9.184 -81.000 6.435 1.00 0.00 ATOM 346 N LEU 271 -9.160 -80.179 7.492 1.00 0.00 ATOM 347 CA LEU 271 -8.376 -80.495 8.691 1.00 0.00 ATOM 348 CB LEU 271 -7.992 -79.213 9.433 1.00 0.00 ATOM 349 CG LEU 271 -7.045 -78.264 8.697 1.00 0.00 ATOM 350 CD1 LEU 271 -6.848 -76.980 9.488 1.00 0.00 ATOM 351 CD2 LEU 271 -5.683 -78.910 8.496 1.00 0.00 ATOM 352 O LEU 271 -8.645 -81.741 10.739 1.00 0.00 ATOM 353 C LEU 271 -9.159 -81.381 9.671 1.00 0.00 ATOM 354 N ALA 272 -10.403 -81.718 9.291 1.00 0.00 ATOM 355 CA ALA 272 -11.270 -82.559 10.105 1.00 0.00 ATOM 356 CB ALA 272 -10.623 -83.914 10.346 1.00 0.00 ATOM 357 O ALA 272 -11.695 -82.649 12.475 1.00 0.00 ATOM 358 C ALA 272 -11.564 -81.939 11.476 1.00 0.00 ATOM 359 N VAL 273 -11.665 -80.607 11.522 1.00 0.00 ATOM 360 CA VAL 273 -11.972 -79.927 12.782 1.00 0.00 ATOM 361 CB VAL 273 -11.968 -78.396 12.612 1.00 0.00 ATOM 362 CG1 VAL 273 -12.489 -77.719 13.872 1.00 0.00 ATOM 363 CG2 VAL 273 -10.557 -77.895 12.345 1.00 0.00 ATOM 364 O VAL 273 -13.555 -80.830 14.358 1.00 0.00 ATOM 365 C VAL 273 -13.371 -80.398 13.218 1.00 0.00 ATOM 366 N ALA 274 -14.361 -80.387 12.313 1.00 0.00 ATOM 367 CA ALA 274 -15.724 -80.833 12.675 1.00 0.00 ATOM 368 CB ALA 274 -16.673 -80.644 11.501 1.00 0.00 ATOM 369 O ALA 274 -16.487 -82.746 13.929 1.00 0.00 ATOM 370 C ALA 274 -15.714 -82.322 13.064 1.00 0.00 ATOM 371 N LEU 275 -14.848 -83.096 12.421 1.00 0.00 ATOM 372 CA LEU 275 -14.779 -84.534 12.708 1.00 0.00 ATOM 373 CB LEU 275 -13.789 -85.221 11.765 1.00 0.00 ATOM 374 CG LEU 275 -14.193 -85.292 10.292 1.00 0.00 ATOM 375 CD1 LEU 275 -13.069 -85.881 9.453 1.00 0.00 ATOM 376 CD2 LEU 275 -15.426 -86.165 10.114 1.00 0.00 ATOM 377 O LEU 275 -13.461 -84.088 14.667 1.00 0.00 ATOM 378 C LEU 275 -14.321 -84.794 14.145 1.00 0.00 ATOM 379 N ASN 276 -14.879 -85.862 14.761 1.00 0.00 ATOM 380 CA ASN 276 -14.506 -86.184 16.150 1.00 0.00 ATOM 381 CB ASN 276 -15.350 -87.346 16.676 1.00 0.00 ATOM 382 CG ASN 276 -16.778 -86.940 16.976 1.00 0.00 ATOM 383 ND2 ASN 276 -17.136 -85.718 16.600 1.00 0.00 ATOM 384 OD1 ASN 276 -17.550 -87.717 17.540 1.00 0.00 ATOM 385 O ASN 276 -12.290 -86.170 17.144 1.00 0.00 ATOM 386 C ASN 276 -13.016 -86.583 16.207 1.00 0.00 ATOM 387 N TRP 277 -12.507 -87.306 15.217 1.00 0.00 ATOM 388 CA TRP 277 -11.093 -87.656 15.154 1.00 0.00 ATOM 389 CB TRP 277 -10.867 -88.812 14.170 1.00 0.00 ATOM 390 CG TRP 277 -9.467 -89.349 14.226 1.00 0.00 ATOM 391 CD1 TRP 277 -9.027 -90.371 15.020 1.00 0.00 ATOM 392 CD2 TRP 277 -8.338 -88.905 13.472 1.00 0.00 ATOM 393 CE2 TRP 277 -7.237 -89.704 13.861 1.00 0.00 ATOM 394 CE3 TRP 277 -8.139 -87.912 12.507 1.00 0.00 ATOM 395 NE1 TRP 277 -7.687 -90.591 14.807 1.00 0.00 ATOM 396 CZ2 TRP 277 -5.955 -89.548 13.323 1.00 0.00 ATOM 397 CZ3 TRP 277 -6.869 -87.764 11.981 1.00 0.00 ATOM 398 CH2 TRP 277 -5.786 -88.566 12.377 1.00 0.00 ATOM 399 O TRP 277 -9.136 -86.284 15.171 1.00 0.00 ATOM 400 C TRP 277 -10.270 -86.445 14.742 1.00 0.00 ATOM 401 N ASP 278 -10.964 -85.666 13.879 1.00 0.00 ATOM 402 CA ASP 278 -10.158 -84.496 13.516 1.00 0.00 ATOM 403 CB ASP 278 -10.507 -84.024 12.103 1.00 0.00 ATOM 404 CG ASP 278 -10.083 -85.015 11.036 1.00 0.00 ATOM 405 OD1 ASP 278 -9.777 -84.577 9.907 1.00 0.00 ATOM 406 OD2 ASP 278 -10.057 -86.228 11.329 1.00 0.00 ATOM 407 O ASP 278 -9.901 -82.236 14.201 1.00 0.00 ATOM 408 C ASP 278 -10.388 -83.326 14.461 1.00 0.00 ATOM 409 N ILE 279 -11.125 -83.548 15.547 1.00 0.00 ATOM 410 CA ILE 279 -11.271 -82.421 16.471 1.00 0.00 ATOM 411 CB ILE 279 -12.209 -82.770 17.642 1.00 0.00 ATOM 412 CG1 ILE 279 -12.633 -81.500 18.382 1.00 0.00 ATOM 413 CG2 ILE 279 -11.509 -83.693 18.629 1.00 0.00 ATOM 414 CD1 ILE 279 -13.780 -81.709 19.347 1.00 0.00 ATOM 415 O ILE 279 -9.747 -80.815 17.419 1.00 0.00 ATOM 416 C ILE 279 -9.937 -81.989 17.086 1.00 0.00 ATOM 417 N LYS 280 -9.033 -82.948 17.271 1.00 0.00 ATOM 418 CA LYS 280 -7.716 -82.668 17.830 1.00 0.00 ATOM 419 CB LYS 280 -6.812 -83.895 17.711 1.00 0.00 ATOM 420 CG LYS 280 -5.443 -83.724 18.351 1.00 0.00 ATOM 421 CD LYS 280 -4.620 -84.996 18.245 1.00 0.00 ATOM 422 CE LYS 280 -3.247 -84.819 18.873 1.00 0.00 ATOM 423 NZ LYS 280 -2.432 -86.062 18.786 1.00 0.00 ATOM 424 O LYS 280 -6.645 -80.540 17.804 1.00 0.00 ATOM 425 C LYS 280 -6.988 -81.522 17.149 1.00 0.00 ATOM 426 N LYS 281 -6.755 -81.604 15.832 1.00 0.00 ATOM 427 CA LYS 281 -6.060 -80.538 15.103 1.00 0.00 ATOM 428 CB LYS 281 -6.079 -80.818 13.598 1.00 0.00 ATOM 429 CG LYS 281 -5.170 -81.959 13.169 1.00 0.00 ATOM 430 CD LYS 281 -5.226 -82.173 11.665 1.00 0.00 ATOM 431 CE LYS 281 -4.317 -83.313 11.235 1.00 0.00 ATOM 432 NZ LYS 281 -4.373 -83.544 9.765 1.00 0.00 ATOM 433 O LYS 281 -5.983 -78.182 15.590 1.00 0.00 ATOM 434 C LYS 281 -6.687 -79.150 15.305 1.00 0.00 ATOM 435 N THR 282 -8.010 -79.068 15.172 1.00 0.00 ATOM 436 CA THR 282 -8.731 -77.804 15.326 1.00 0.00 ATOM 437 CB THR 282 -10.225 -77.963 14.995 1.00 0.00 ATOM 438 CG2 THR 282 -10.408 -78.420 13.556 1.00 0.00 ATOM 439 OG1 THR 282 -10.810 -78.937 15.869 1.00 0.00 ATOM 440 O THR 282 -8.473 -76.063 16.961 1.00 0.00 ATOM 441 C THR 282 -8.639 -77.267 16.752 1.00 0.00 ATOM 442 N GLU 283 -8.778 -78.172 17.720 1.00 0.00 ATOM 443 CA GLU 283 -8.680 -77.772 19.136 1.00 0.00 ATOM 444 CB GLU 283 -8.999 -78.956 20.050 1.00 0.00 ATOM 445 CG GLU 283 -10.453 -79.398 20.010 1.00 0.00 ATOM 446 CD GLU 283 -10.719 -80.607 20.887 1.00 0.00 ATOM 447 OE1 GLU 283 -9.757 -81.129 21.487 1.00 0.00 ATOM 448 OE2 GLU 283 -11.890 -81.030 20.974 1.00 0.00 ATOM 449 O GLU 283 -7.121 -76.343 20.177 1.00 0.00 ATOM 450 C GLU 283 -7.268 -77.293 19.405 1.00 0.00 ATOM 451 N THR 284 -6.214 -77.898 18.792 1.00 0.00 ATOM 452 CA THR 284 -4.802 -77.515 19.014 1.00 0.00 ATOM 453 CB THR 284 -3.834 -78.510 18.348 1.00 0.00 ATOM 454 CG2 THR 284 -2.393 -78.075 18.561 1.00 0.00 ATOM 455 OG1 THR 284 -4.014 -79.811 18.921 1.00 0.00 ATOM 456 O THR 284 -3.859 -75.313 19.082 1.00 0.00 ATOM 457 C THR 284 -4.530 -76.142 18.436 1.00 0.00 ATOM 458 N VAL 285 -5.102 -75.955 17.246 1.00 0.00 ATOM 459 CA VAL 285 -5.041 -74.672 16.554 1.00 0.00 ATOM 460 CB VAL 285 -5.836 -74.704 15.235 1.00 0.00 ATOM 461 CG1 VAL 285 -5.931 -73.309 14.637 1.00 0.00 ATOM 462 CG2 VAL 285 -5.155 -75.615 14.225 1.00 0.00 ATOM 463 O VAL 285 -4.989 -72.553 17.710 1.00 0.00 ATOM 464 C VAL 285 -5.633 -73.587 17.454 1.00 0.00 ATOM 465 N GLN 286 -6.844 -73.828 17.957 1.00 0.00 ATOM 466 CA GLN 286 -7.550 -72.885 18.838 1.00 0.00 ATOM 467 CB GLN 286 -8.884 -73.477 19.298 1.00 0.00 ATOM 468 CG GLN 286 -9.920 -73.603 18.192 1.00 0.00 ATOM 469 CD GLN 286 -11.204 -74.255 18.669 1.00 0.00 ATOM 470 OE1 GLN 286 -11.319 -74.641 19.833 1.00 0.00 ATOM 471 NE2 GLN 286 -12.172 -74.378 17.771 1.00 0.00 ATOM 472 O GLN 286 -6.625 -71.406 20.504 1.00 0.00 ATOM 473 C GLN 286 -6.715 -72.564 20.084 1.00 0.00 ATOM 474 N GLU 287 -6.111 -73.598 20.661 1.00 0.00 ATOM 475 CA GLU 287 -5.259 -73.438 21.834 1.00 0.00 ATOM 476 CB GLU 287 -4.856 -74.806 22.393 1.00 0.00 ATOM 477 CG GLU 287 -4.029 -74.735 23.667 1.00 0.00 ATOM 478 CD GLU 287 -3.693 -76.108 24.219 1.00 0.00 ATOM 479 OE1 GLU 287 -4.106 -77.113 23.603 1.00 0.00 ATOM 480 OE2 GLU 287 -3.017 -76.177 25.266 1.00 0.00 ATOM 481 O GLU 287 -3.544 -71.818 22.244 1.00 0.00 ATOM 482 C GLU 287 -3.985 -72.675 21.484 1.00 0.00 ATOM 483 N ALA 288 -2.837 -72.466 20.578 1.00 0.00 ATOM 484 CA ALA 288 -1.682 -71.810 19.966 1.00 0.00 ATOM 485 CB ALA 288 -0.544 -72.802 19.784 1.00 0.00 ATOM 486 O ALA 288 -1.678 -70.051 18.327 1.00 0.00 ATOM 487 C ALA 288 -1.982 -71.220 18.593 1.00 0.00 ATOM 488 N CYS 289 -2.575 -72.046 17.727 1.00 0.00 ATOM 489 CA CYS 289 -2.892 -71.574 16.377 1.00 0.00 ATOM 490 CB CYS 289 -3.401 -72.728 15.512 1.00 0.00 ATOM 491 SG CYS 289 -2.150 -73.969 15.108 1.00 0.00 ATOM 492 O CYS 289 -3.886 -69.507 15.682 1.00 0.00 ATOM 493 C CYS 289 -3.973 -70.494 16.409 1.00 0.00 ATOM 494 N GLU 290 -4.983 -70.685 17.246 1.00 0.00 ATOM 495 CA GLU 290 -6.078 -69.721 17.337 1.00 0.00 ATOM 496 CB GLU 290 -7.146 -70.215 18.315 1.00 0.00 ATOM 497 CG GLU 290 -8.359 -69.304 18.419 1.00 0.00 ATOM 498 CD GLU 290 -9.187 -69.290 17.150 1.00 0.00 ATOM 499 OE1 GLU 290 -8.934 -70.135 16.265 1.00 0.00 ATOM 500 OE2 GLU 290 -10.088 -68.432 17.039 1.00 0.00 ATOM 501 O GLU 290 -5.936 -67.310 17.336 1.00 0.00 ATOM 502 C GLU 290 -5.537 -68.385 17.826 1.00 0.00 ATOM 503 N ARG 291 -4.612 -68.424 18.781 1.00 0.00 ATOM 504 CA ARG 291 -4.024 -67.201 19.322 1.00 0.00 ATOM 505 CB ARG 291 -3.142 -67.519 20.531 1.00 0.00 ATOM 506 CG ARG 291 -2.506 -66.297 21.173 1.00 0.00 ATOM 507 CD ARG 291 -1.709 -66.677 22.411 1.00 0.00 ATOM 508 NE ARG 291 -1.080 -65.515 23.034 1.00 0.00 ATOM 509 CZ ARG 291 -0.278 -65.576 24.092 1.00 0.00 ATOM 510 NH1 ARG 291 0.249 -64.467 24.591 1.00 0.00 ATOM 511 NH2 ARG 291 -0.006 -66.749 24.650 1.00 0.00 ATOM 512 O ARG 291 -3.276 -65.295 18.033 1.00 0.00 ATOM 513 C ARG 291 -3.171 -66.506 18.286 1.00 0.00 ATOM 514 N GLU 292 -2.328 -67.301 17.620 1.00 0.00 ATOM 515 CA GLU 292 -1.393 -66.811 16.606 1.00 0.00 ATOM 516 CB GLU 292 -0.411 -67.914 16.205 1.00 0.00 ATOM 517 CG GLU 292 0.574 -68.296 17.298 1.00 0.00 ATOM 518 CD GLU 292 1.456 -67.136 17.718 1.00 0.00 ATOM 519 OE1 GLU 292 2.064 -66.502 16.830 1.00 0.00 ATOM 520 OE2 GLU 292 1.540 -66.864 18.934 1.00 0.00 ATOM 521 O GLU 292 -1.756 -65.277 14.790 1.00 0.00 ATOM 522 C GLU 292 -2.090 -66.344 15.336 1.00 0.00 ATOM 523 N LEU 293 -3.115 -67.079 14.881 1.00 0.00 ATOM 524 CA LEU 293 -3.876 -66.660 13.706 1.00 0.00 ATOM 525 CB LEU 293 -4.970 -67.679 13.383 1.00 0.00 ATOM 526 CG LEU 293 -5.658 -67.528 12.024 1.00 0.00 ATOM 527 CD1 LEU 293 -4.663 -67.732 10.893 1.00 0.00 ATOM 528 CD2 LEU 293 -6.771 -68.553 11.870 1.00 0.00 ATOM 529 O LEU 293 -4.525 -64.411 13.091 1.00 0.00 ATOM 530 C LEU 293 -4.539 -65.303 13.952 1.00 0.00 ATOM 531 N ALA 294 -4.656 -65.058 15.338 1.00 0.00 ATOM 532 CA ALA 294 -5.208 -63.730 15.592 1.00 0.00 ATOM 533 CB ALA 294 -6.005 -63.727 16.887 1.00 0.00 ATOM 534 O ALA 294 -4.202 -61.589 15.162 1.00 0.00 ATOM 535 C ALA 294 -4.088 -62.687 15.711 1.00 0.00 ATOM 536 N LEU 295 -3.044 -63.057 16.445 1.00 0.00 ATOM 537 CA LEU 295 -1.941 -62.142 16.592 1.00 0.00 ATOM 538 CB LEU 295 -0.859 -62.747 17.488 1.00 0.00 ATOM 539 CG LEU 295 -1.199 -62.869 18.975 1.00 0.00 ATOM 540 CD1 LEU 295 -0.094 -63.598 19.722 1.00 0.00 ATOM 541 CD2 LEU 295 -1.368 -61.492 19.600 1.00 0.00 ATOM 542 O LEU 295 -1.077 -60.665 14.967 1.00 0.00 ATOM 543 C LEU 295 -1.329 -61.838 15.209 1.00 0.00 ATOM 544 N ARG 296 -1.139 -62.851 14.290 1.00 0.00 ATOM 545 CA ARG 296 -0.599 -62.579 12.962 1.00 0.00 ATOM 546 CB ARG 296 -0.437 -63.880 12.173 1.00 0.00 ATOM 547 CG ARG 296 0.151 -63.693 10.784 1.00 0.00 ATOM 548 CD ARG 296 0.334 -65.028 10.079 1.00 0.00 ATOM 549 NE ARG 296 -0.944 -65.675 9.794 1.00 0.00 ATOM 550 CZ ARG 296 -1.431 -66.703 10.482 1.00 0.00 ATOM 551 NH1 ARG 296 -2.603 -67.227 10.151 1.00 0.00 ATOM 552 NH2 ARG 296 -0.745 -67.203 11.502 1.00 0.00 ATOM 553 O ARG 296 -1.063 -60.749 11.507 1.00 0.00 ATOM 554 C ARG 296 -1.474 -61.679 12.160 1.00 0.00 ATOM 555 N LEU 297 -2.730 -61.984 12.196 1.00 0.00 ATOM 556 CA LEU 297 -3.727 -61.180 11.470 1.00 0.00 ATOM 557 CB LEU 297 -5.135 -61.728 11.712 1.00 0.00 ATOM 558 CG LEU 297 -6.277 -61.002 10.999 1.00 0.00 ATOM 559 CD1 LEU 297 -6.127 -61.114 9.490 1.00 0.00 ATOM 560 CD2 LEU 297 -7.620 -61.600 11.389 1.00 0.00 ATOM 561 O LEU 297 -3.622 -58.788 11.141 1.00 0.00 ATOM 562 C LEU 297 -3.664 -59.737 11.960 1.00 0.00 ATOM 563 N GLN 298 -3.685 -59.587 13.280 1.00 0.00 ATOM 564 CA GLN 298 -3.729 -58.222 13.836 1.00 0.00 ATOM 565 CB GLN 298 -3.862 -58.316 15.356 1.00 0.00 ATOM 566 CG GLN 298 -5.242 -58.745 15.839 1.00 0.00 ATOM 567 CD GLN 298 -6.273 -57.704 15.439 1.00 0.00 ATOM 568 OE1 GLN 298 -5.920 -56.529 15.279 1.00 0.00 ATOM 569 NE2 GLN 298 -7.528 -58.104 15.271 1.00 0.00 ATOM 570 O GLN 298 -2.584 -56.325 12.873 1.00 0.00 ATOM 571 C GLN 298 -2.501 -57.443 13.399 1.00 0.00 ATOM 572 N GLN 299 -1.316 -58.016 13.584 1.00 0.00 ATOM 573 CA GLN 299 -0.099 -57.291 13.210 1.00 0.00 ATOM 574 CB GLN 299 1.155 -58.116 13.522 1.00 0.00 ATOM 575 CG GLN 299 2.443 -57.469 13.012 1.00 0.00 ATOM 576 CD GLN 299 3.685 -58.180 13.519 1.00 0.00 ATOM 577 OE1 GLN 299 4.260 -57.800 14.533 1.00 0.00 ATOM 578 NE2 GLN 299 4.110 -59.231 12.818 1.00 0.00 ATOM 579 O GLN 299 0.317 -55.818 11.365 1.00 0.00 ATOM 580 C GLN 299 -0.101 -56.916 11.740 1.00 0.00 ATOM 581 N THR 300 -0.560 -57.799 10.876 1.00 0.00 ATOM 582 CA THR 300 -0.500 -57.523 9.444 1.00 0.00 ATOM 583 CB THR 300 0.554 -58.401 8.743 1.00 0.00 ATOM 584 CG2 THR 300 1.915 -58.225 9.400 1.00 0.00 ATOM 585 OG1 THR 300 0.169 -59.778 8.836 1.00 0.00 ATOM 586 O THR 300 -2.700 -58.479 9.611 1.00 0.00 ATOM 587 C THR 300 -1.906 -57.837 8.913 1.00 0.00 ATOM 588 N GLN 301 -2.213 -57.427 7.675 1.00 0.00 ATOM 589 CA GLN 301 -3.536 -57.729 7.129 1.00 0.00 ATOM 590 CB GLN 301 -3.780 -56.856 5.912 1.00 0.00 ATOM 591 CG GLN 301 -3.961 -55.402 6.311 1.00 0.00 ATOM 592 CD GLN 301 -4.204 -54.531 5.103 1.00 0.00 ATOM 593 OE1 GLN 301 -3.827 -54.842 3.962 1.00 0.00 ATOM 594 NE2 GLN 301 -4.863 -53.400 5.353 1.00 0.00 ATOM 595 O GLN 301 -4.811 -59.655 6.600 1.00 0.00 ATOM 596 C GLN 301 -3.676 -59.203 6.782 1.00 0.00 ATOM 597 N SER 302 -2.631 -59.795 5.917 1.00 0.00 ATOM 598 CA SER 302 -2.499 -60.814 4.901 1.00 0.00 ATOM 599 CB SER 302 -1.026 -61.162 4.679 1.00 0.00 ATOM 600 OG SER 302 -0.301 -60.039 4.208 1.00 0.00 ATOM 601 O SER 302 -3.851 -62.745 4.425 1.00 0.00 ATOM 602 C SER 302 -3.229 -62.107 5.283 1.00 0.00 ATOM 603 N LEU 303 -3.138 -62.522 6.538 1.00 0.00 ATOM 604 CA LEU 303 -3.851 -63.713 7.031 1.00 0.00 ATOM 605 CB LEU 303 -3.547 -63.945 8.512 1.00 0.00 ATOM 606 CG LEU 303 -4.206 -65.166 9.157 1.00 0.00 ATOM 607 CD1 LEU 303 -3.712 -66.449 8.506 1.00 0.00 ATOM 608 CD2 LEU 303 -3.881 -65.231 10.642 1.00 0.00 ATOM 609 O LEU 303 -6.034 -64.448 6.416 1.00 0.00 ATOM 610 C LEU 303 -5.360 -63.543 6.874 1.00 0.00 ATOM 611 N HIS 304 -5.884 -62.376 7.269 1.00 0.00 ATOM 612 CA HIS 304 -7.299 -62.073 7.079 1.00 0.00 ATOM 613 CB HIS 304 -7.674 -60.784 7.813 1.00 0.00 ATOM 614 CG HIS 304 -9.134 -60.456 7.750 1.00 0.00 ATOM 615 CD2 HIS 304 -9.968 -59.584 6.935 1.00 0.00 ATOM 616 ND1 HIS 304 -10.062 -61.027 8.593 1.00 0.00 ATOM 617 CE1 HIS 304 -11.281 -60.539 8.297 1.00 0.00 ATOM 618 NE2 HIS 304 -11.231 -59.674 7.304 1.00 0.00 ATOM 619 O HIS 304 -8.580 -62.344 5.055 1.00 0.00 ATOM 620 C HIS 304 -7.556 -61.902 5.577 1.00 0.00 ATOM 621 N SER 305 -6.596 -61.288 4.890 1.00 0.00 ATOM 622 CA SER 305 -6.686 -61.082 3.438 1.00 0.00 ATOM 623 CB SER 305 -5.497 -60.259 2.938 1.00 0.00 ATOM 624 OG SER 305 -5.534 -58.941 3.460 1.00 0.00 ATOM 625 O SER 305 -7.508 -62.694 1.856 1.00 0.00 ATOM 626 C SER 305 -6.684 -62.439 2.737 1.00 0.00 ATOM 627 N LEU 306 -5.778 -63.317 3.174 1.00 0.00 ATOM 628 CA LEU 306 -5.658 -64.661 2.614 1.00 0.00 ATOM 629 CB LEU 306 -4.404 -65.355 3.150 1.00 0.00 ATOM 630 CG LEU 306 -3.064 -64.792 2.675 1.00 0.00 ATOM 631 CD1 LEU 306 -1.908 -65.487 3.380 1.00 0.00 ATOM 632 CD2 LEU 306 -2.896 -64.994 1.177 1.00 0.00 ATOM 633 O LEU 306 -7.045 -66.592 2.320 1.00 0.00 ATOM 634 C LEU 306 -6.847 -65.556 2.955 1.00 0.00 ATOM 635 N ARG 307 -7.643 -65.132 3.932 1.00 0.00 ATOM 636 CA ARG 307 -8.811 -65.866 4.418 1.00 0.00 ATOM 637 CB ARG 307 -9.834 -66.049 3.295 1.00 0.00 ATOM 638 CG ARG 307 -10.369 -64.747 2.725 1.00 0.00 ATOM 639 CD ARG 307 -11.361 -65.001 1.601 1.00 0.00 ATOM 640 NE ARG 307 -11.873 -63.758 1.030 1.00 0.00 ATOM 641 CZ ARG 307 -12.682 -63.697 -0.024 1.00 0.00 ATOM 642 NH1 ARG 307 -13.096 -62.522 -0.474 1.00 0.00 ATOM 643 NH2 ARG 307 -13.074 -64.813 -0.623 1.00 0.00 ATOM 644 O ARG 307 -9.237 -68.229 4.600 1.00 0.00 ATOM 645 C ARG 307 -8.500 -67.278 4.956 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 21:15:19 2002 Date: Thu, 15 Aug 2002 21:15:13 -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 Thu Aug 15 20:47:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_646958_25541 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS001_1 Current information on models submitted in prediction T0139TS001 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_1 PIN_646958_25541 4069-6308-1312 08/15/02 20:47:24 karplus@cse.ucsc.edu T0139TS001_1 PIN_745057_25443 4069-6308-1312 08/15/02 17:57:06 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_1 PIN_646958_25541 4069-6308-1312 08/15/02 20:47:24 karplus@cse.ucsc.edu T0139SS001_1 PIN_141843_15900 4069-6308-1312 07/26/02 15:02:12 karplus@bray.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 T0139 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: T0139 # Total number of residues in target: 83 # Total number of residues in model: 83 # Total number of atoms in model: 645 # Number of atoms with 1.0 occupancy: 645 # Number of fragments in model: 1 # Number of METHOD records: 98 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 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 MODEL 1 PARENT N/A ATOM 1 N THR 225 -3.568 -70.429 3.185 1.00 0.00 ATOM 2 CA THR 225 -4.031 -71.842 3.314 1.00 0.00 ATOM 3 CB THR 225 -3.159 -72.978 3.215 1.00 0.00 ATOM 4 CG2 THR 225 -2.489 -73.060 1.851 1.00 0.00 ATOM 5 OG1 THR 225 -2.153 -72.852 4.230 1.00 0.00 ATOM 6 O THR 225 -6.098 -71.334 4.427 1.00 0.00 ATOM 7 C THR 225 -5.046 -71.975 4.443 1.00 0.00 ATOM 8 N GLY 226 -4.717 -72.818 5.421 1.00 0.00 ATOM 9 CA GLY 226 -5.581 -73.041 6.570 1.00 0.00 ATOM 10 O GLY 226 -3.777 -72.826 8.132 1.00 0.00 ATOM 11 C GLY 226 -4.789 -72.311 7.646 1.00 0.00 ATOM 12 N ILE 227 -5.263 -71.143 8.044 1.00 0.00 ATOM 13 CA ILE 227 -4.527 -70.298 8.988 1.00 0.00 ATOM 14 CB ILE 227 -5.110 -68.874 9.045 1.00 0.00 ATOM 15 CG1 ILE 227 -6.549 -68.908 9.568 1.00 0.00 ATOM 16 CG2 ILE 227 -5.115 -68.243 7.661 1.00 0.00 ATOM 17 CD1 ILE 227 -7.129 -67.540 9.852 1.00 0.00 ATOM 18 O ILE 227 -3.689 -70.414 11.225 1.00 0.00 ATOM 19 C ILE 227 -4.535 -70.810 10.424 1.00 0.00 ATOM 20 N SER 228 -5.497 -71.686 10.746 1.00 0.00 ATOM 21 CA SER 228 -5.616 -72.216 12.093 1.00 0.00 ATOM 22 CB SER 228 -6.748 -73.241 12.167 1.00 0.00 ATOM 23 OG SER 228 -8.005 -72.628 11.940 1.00 0.00 ATOM 24 O SER 228 -3.871 -72.762 13.667 1.00 0.00 ATOM 25 C SER 228 -4.329 -72.899 12.520 1.00 0.00 ATOM 26 N ARG 229 -3.733 -73.675 11.610 1.00 0.00 ATOM 27 CA ARG 229 -2.461 -74.362 11.977 1.00 0.00 ATOM 28 CB ARG 229 -2.422 -75.774 11.388 1.00 0.00 ATOM 29 CG ARG 229 -3.434 -76.728 12.002 1.00 0.00 ATOM 30 CD ARG 229 -3.357 -78.103 11.356 1.00 0.00 ATOM 31 NE ARG 229 -4.334 -79.029 11.921 1.00 0.00 ATOM 32 CZ ARG 229 -4.539 -80.264 11.474 1.00 0.00 ATOM 33 NH1 ARG 229 -5.451 -81.035 12.051 1.00 0.00 ATOM 34 NH2 ARG 229 -3.832 -80.724 10.451 1.00 0.00 ATOM 35 O ARG 229 -1.057 -73.559 10.224 1.00 0.00 ATOM 36 C ARG 229 -1.349 -73.514 11.404 1.00 0.00 ATOM 37 N GLU 230 -0.758 -72.728 12.313 1.00 0.00 ATOM 38 CA GLU 230 0.294 -71.804 11.886 1.00 0.00 ATOM 39 CB GLU 230 0.855 -71.037 13.085 1.00 0.00 ATOM 40 CG GLU 230 -0.117 -70.037 13.692 1.00 0.00 ATOM 41 CD GLU 230 0.454 -69.336 14.908 1.00 0.00 ATOM 42 OE1 GLU 230 1.589 -69.669 15.308 1.00 0.00 ATOM 43 OE2 GLU 230 -0.235 -68.454 15.462 1.00 0.00 ATOM 44 O GLU 230 1.980 -72.100 10.188 1.00 0.00 ATOM 45 C GLU 230 1.448 -72.559 11.219 1.00 0.00 ATOM 46 N THR 231 1.797 -73.732 11.783 1.00 0.00 ATOM 47 CA THR 231 2.883 -74.498 11.145 1.00 0.00 ATOM 48 CB THR 231 3.421 -75.646 12.005 1.00 0.00 ATOM 49 CG2 THR 231 3.923 -75.110 13.348 1.00 0.00 ATOM 50 OG1 THR 231 2.342 -76.540 12.251 1.00 0.00 ATOM 51 O THR 231 3.126 -74.973 8.830 1.00 0.00 ATOM 52 C THR 231 2.381 -75.039 9.802 1.00 0.00 ATOM 53 N SER 232 1.147 -75.489 9.703 1.00 0.00 ATOM 54 CA SER 232 0.600 -75.959 8.434 1.00 0.00 ATOM 55 CB SER 232 -0.818 -76.500 8.630 1.00 0.00 ATOM 56 OG SER 232 -0.813 -77.662 9.442 1.00 0.00 ATOM 57 O SER 232 0.907 -74.903 6.290 1.00 0.00 ATOM 58 C SER 232 0.571 -74.774 7.472 1.00 0.00 ATOM 59 N SER 233 0.157 -73.598 7.941 1.00 0.00 ATOM 60 CA SER 233 0.049 -72.436 7.090 1.00 0.00 ATOM 61 CB SER 233 -0.584 -71.273 7.856 1.00 0.00 ATOM 62 OG SER 233 -1.928 -71.558 8.200 1.00 0.00 ATOM 63 O SER 233 1.541 -71.571 5.413 1.00 0.00 ATOM 64 C SER 233 1.417 -71.968 6.578 1.00 0.00 ATOM 65 N ASP 234 2.432 -71.973 7.440 1.00 0.00 ATOM 66 CA ASP 234 3.777 -71.612 7.020 1.00 0.00 ATOM 67 CB ASP 234 4.735 -71.637 8.212 1.00 0.00 ATOM 68 CG ASP 234 4.504 -70.484 9.169 1.00 0.00 ATOM 69 OD1 ASP 234 5.318 -70.313 10.101 1.00 0.00 ATOM 70 OD2 ASP 234 3.507 -69.751 8.988 1.00 0.00 ATOM 71 O ASP 234 4.706 -72.238 4.933 1.00 0.00 ATOM 72 C ASP 234 4.212 -72.639 5.971 1.00 0.00 ATOM 73 N VAL 235 4.007 -73.963 6.134 1.00 0.00 ATOM 74 CA VAL 235 4.408 -75.030 5.194 1.00 0.00 ATOM 75 CB VAL 235 4.012 -76.424 5.717 1.00 0.00 ATOM 76 CG1 VAL 235 4.248 -77.479 4.648 1.00 0.00 ATOM 77 CG2 VAL 235 4.838 -76.787 6.942 1.00 0.00 ATOM 78 O VAL 235 4.324 -74.712 2.796 1.00 0.00 ATOM 79 C VAL 235 3.719 -74.795 3.853 1.00 0.00 ATOM 80 N ALA 236 2.410 -74.628 3.979 1.00 0.00 ATOM 81 CA ALA 236 1.579 -74.200 2.850 1.00 0.00 ATOM 82 CB ALA 236 0.123 -74.164 3.253 1.00 0.00 ATOM 83 O ALA 236 2.149 -72.653 1.090 1.00 0.00 ATOM 84 C ALA 236 2.008 -72.836 2.310 1.00 0.00 ATOM 85 N LEU 237 2.225 -71.881 3.217 1.00 0.00 ATOM 86 CA LEU 237 2.696 -70.549 2.829 1.00 0.00 ATOM 87 CB LEU 237 2.702 -69.599 4.035 1.00 0.00 ATOM 88 CG LEU 237 1.332 -69.328 4.656 1.00 0.00 ATOM 89 CD1 LEU 237 1.527 -68.698 6.032 1.00 0.00 ATOM 90 CD2 LEU 237 0.499 -68.423 3.737 1.00 0.00 ATOM 91 O LEU 237 4.327 -69.984 1.167 1.00 0.00 ATOM 92 C LEU 237 4.091 -70.603 2.209 1.00 0.00 ATOM 93 N ALA 238 5.004 -71.346 2.835 1.00 0.00 ATOM 94 CA ALA 238 6.368 -71.491 2.320 1.00 0.00 ATOM 95 CB ALA 238 7.226 -72.286 3.291 1.00 0.00 ATOM 96 O ALA 238 7.074 -71.670 0.046 1.00 0.00 ATOM 97 C ALA 238 6.382 -72.151 0.945 1.00 0.00 ATOM 98 N SER 239 5.533 -73.162 0.761 1.00 0.00 ATOM 99 CA SER 239 5.378 -73.797 -0.560 1.00 0.00 ATOM 100 CB SER 239 4.475 -75.032 -0.407 1.00 0.00 ATOM 101 OG SER 239 4.212 -75.643 -1.667 1.00 0.00 ATOM 102 O SER 239 5.280 -72.775 -2.729 1.00 0.00 ATOM 103 C SER 239 4.805 -72.809 -1.568 1.00 0.00 ATOM 104 N HIS 240 3.829 -72.002 -1.166 1.00 0.00 ATOM 105 CA HIS 240 3.242 -71.032 -2.038 1.00 0.00 ATOM 106 CB HIS 240 1.755 -70.859 -1.724 1.00 0.00 ATOM 107 CG HIS 240 0.929 -72.068 -2.032 1.00 0.00 ATOM 108 CD2 HIS 240 -0.433 -72.494 -1.746 1.00 0.00 ATOM 109 ND1 HIS 240 1.414 -73.136 -2.754 1.00 0.00 ATOM 110 CE1 HIS 240 0.446 -74.064 -2.867 1.00 0.00 ATOM 111 NE2 HIS 240 -0.665 -73.686 -2.263 1.00 0.00 ATOM 112 O HIS 240 3.147 -68.755 -2.464 1.00 0.00 ATOM 113 C HIS 240 3.820 -69.652 -1.982 1.00 0.00 ATOM 114 N ILE 241 5.054 -69.409 -1.574 1.00 0.00 ATOM 115 CA ILE 241 5.445 -68.015 -1.378 1.00 0.00 ATOM 116 CB ILE 241 6.847 -67.906 -0.748 1.00 0.00 ATOM 117 CG1 ILE 241 6.833 -68.452 0.683 1.00 0.00 ATOM 118 CG2 ILE 241 7.300 -66.456 -0.704 1.00 0.00 ATOM 119 CD1 ILE 241 8.208 -68.612 1.288 1.00 0.00 ATOM 120 O ILE 241 4.899 -66.162 -2.798 1.00 0.00 ATOM 121 C ILE 241 5.492 -67.229 -2.650 1.00 0.00 ATOM 122 N LEU 242 6.161 -67.837 -3.617 1.00 0.00 ATOM 123 CA LEU 242 6.340 -67.238 -4.933 1.00 0.00 ATOM 124 CB LEU 242 7.078 -68.203 -5.865 1.00 0.00 ATOM 125 CG LEU 242 8.557 -68.445 -5.555 1.00 0.00 ATOM 126 CD1 LEU 242 9.129 -69.512 -6.473 1.00 0.00 ATOM 127 CD2 LEU 242 9.361 -67.169 -5.747 1.00 0.00 ATOM 128 O LEU 242 4.883 -65.877 -6.259 1.00 0.00 ATOM 129 C LEU 242 5.002 -66.896 -5.578 1.00 0.00 ATOM 130 N THR 243 3.984 -67.715 -5.331 1.00 0.00 ATOM 131 CA THR 243 2.661 -67.467 -5.900 1.00 0.00 ATOM 132 CB THR 243 1.744 -68.694 -5.747 1.00 0.00 ATOM 133 CG2 THR 243 0.363 -68.400 -6.312 1.00 0.00 ATOM 134 OG1 THR 243 2.305 -69.807 -6.453 1.00 0.00 ATOM 135 O THR 243 1.308 -65.482 -5.795 1.00 0.00 ATOM 136 C THR 243 2.014 -66.284 -5.181 1.00 0.00 ATOM 137 N ALA 244 2.254 -66.196 -3.875 1.00 0.00 ATOM 138 CA ALA 244 1.703 -65.110 -3.060 1.00 0.00 ATOM 139 CB ALA 244 2.102 -65.284 -1.602 1.00 0.00 ATOM 140 O ALA 244 1.442 -62.788 -3.580 1.00 0.00 ATOM 141 C ALA 244 2.207 -63.746 -3.523 1.00 0.00 ATOM 142 N LEU 245 3.491 -63.662 -3.851 1.00 0.00 ATOM 143 CA LEU 245 4.070 -62.396 -4.267 1.00 0.00 ATOM 144 CB LEU 245 5.596 -62.490 -4.299 1.00 0.00 ATOM 145 CG LEU 245 6.350 -61.182 -4.549 1.00 0.00 ATOM 146 CD1 LEU 245 6.098 -60.191 -3.423 1.00 0.00 ATOM 147 CD2 LEU 245 7.849 -61.432 -4.633 1.00 0.00 ATOM 148 O LEU 245 3.506 -60.765 -5.924 1.00 0.00 ATOM 149 C LEU 245 3.616 -61.961 -5.663 1.00 0.00 ATOM 150 N ARG 246 3.347 -62.927 -6.548 1.00 0.00 ATOM 151 CA ARG 246 2.925 -62.613 -7.924 1.00 0.00 ATOM 152 CB ARG 246 3.418 -63.689 -8.894 1.00 0.00 ATOM 153 CG ARG 246 4.931 -63.763 -9.021 1.00 0.00 ATOM 154 CD ARG 246 5.352 -64.863 -9.981 1.00 0.00 ATOM 155 NE ARG 246 6.805 -64.960 -10.099 1.00 0.00 ATOM 156 CZ ARG 246 7.435 -65.897 -10.802 1.00 0.00 ATOM 157 NH1 ARG 246 8.760 -65.905 -10.853 1.00 0.00 ATOM 158 NH2 ARG 246 6.740 -66.820 -11.451 1.00 0.00 ATOM 159 O ARG 246 0.910 -62.043 -9.117 1.00 0.00 ATOM 160 C ARG 246 1.395 -62.528 -8.089 1.00 0.00 ATOM 161 N GLU 247 0.646 -63.011 -7.089 1.00 0.00 ATOM 162 CA GLU 247 -0.806 -63.062 -7.182 1.00 0.00 ATOM 163 CB GLU 247 -1.406 -63.609 -5.885 1.00 0.00 ATOM 164 CG GLU 247 -2.917 -63.761 -5.918 1.00 0.00 ATOM 165 CD GLU 247 -3.471 -64.352 -4.636 1.00 0.00 ATOM 166 OE1 GLU 247 -2.672 -64.640 -3.721 1.00 0.00 ATOM 167 OE2 GLU 247 -4.705 -64.527 -4.546 1.00 0.00 ATOM 168 O GLU 247 -2.297 -61.538 -8.262 1.00 0.00 ATOM 169 C GLU 247 -1.412 -61.692 -7.425 1.00 0.00 ATOM 170 N LYS 248 -0.913 -60.698 -6.706 1.00 0.00 ATOM 171 CA LYS 248 -1.397 -59.334 -6.856 1.00 0.00 ATOM 172 CB LYS 248 -0.784 -58.428 -5.786 1.00 0.00 ATOM 173 CG LYS 248 -1.259 -58.726 -4.375 1.00 0.00 ATOM 174 CD LYS 248 -2.741 -58.432 -4.218 1.00 0.00 ATOM 175 CE LYS 248 -3.190 -58.600 -2.775 1.00 0.00 ATOM 176 NZ LYS 248 -3.160 -60.026 -2.348 1.00 0.00 ATOM 177 O LYS 248 -1.857 -58.183 -8.915 1.00 0.00 ATOM 178 C LYS 248 -1.020 -58.783 -8.234 1.00 0.00 ATOM 179 N GLN 249 -0.063 -59.407 -8.844 1.00 0.00 ATOM 180 CA GLN 249 0.451 -58.950 -10.130 1.00 0.00 ATOM 181 CB GLN 249 1.631 -59.819 -10.573 1.00 0.00 ATOM 182 CG GLN 249 2.879 -59.652 -9.720 1.00 0.00 ATOM 183 CD GLN 249 4.003 -60.575 -10.147 1.00 0.00 ATOM 184 OE1 GLN 249 3.848 -61.370 -11.074 1.00 0.00 ATOM 185 NE2 GLN 249 5.140 -60.472 -9.469 1.00 0.00 ATOM 186 O GLN 249 -0.575 -58.222 -12.178 1.00 0.00 ATOM 187 C GLN 249 -0.609 -59.019 -11.224 1.00 0.00 ATOM 188 N ALA 250 -1.552 -59.952 -11.105 1.00 0.00 ATOM 189 CA ALA 250 -2.637 -60.090 -12.071 1.00 0.00 ATOM 190 CB ALA 250 -2.314 -61.184 -13.076 1.00 0.00 ATOM 191 O ALA 250 -4.347 -61.605 -11.300 1.00 0.00 ATOM 192 C ALA 250 -3.902 -60.449 -11.292 1.00 0.00 ATOM 193 N PRO 251 -4.499 -59.459 -10.605 1.00 0.00 ATOM 194 CA PRO 251 -5.707 -59.582 -9.787 1.00 0.00 ATOM 195 CB PRO 251 -6.045 -58.140 -9.403 1.00 0.00 ATOM 196 CG PRO 251 -4.740 -57.421 -9.474 1.00 0.00 ATOM 197 CD PRO 251 -4.003 -58.008 -10.643 1.00 0.00 ATOM 198 O PRO 251 -7.772 -60.793 -9.874 1.00 0.00 ATOM 199 C PRO 251 -6.887 -60.224 -10.516 1.00 0.00 ATOM 200 N GLU 252 -6.880 -60.138 -11.818 1.00 0.00 ATOM 201 CA GLU 252 -7.994 -60.718 -12.577 1.00 0.00 ATOM 202 CB GLU 252 -8.020 -60.158 -14.000 1.00 0.00 ATOM 203 CG GLU 252 -8.378 -58.682 -14.080 1.00 0.00 ATOM 204 CD GLU 252 -8.343 -58.149 -15.498 1.00 0.00 ATOM 205 OE1 GLU 252 -7.988 -58.922 -16.415 1.00 0.00 ATOM 206 OE2 GLU 252 -8.670 -56.959 -15.696 1.00 0.00 ATOM 207 O GLU 252 -8.739 -62.935 -12.436 1.00 0.00 ATOM 208 C GLU 252 -7.813 -62.192 -12.629 1.00 0.00 ATOM 209 N LEU 253 -6.522 -62.528 -12.812 1.00 0.00 ATOM 210 CA LEU 253 -6.093 -63.920 -12.889 1.00 0.00 ATOM 211 CB LEU 253 -4.622 -64.006 -13.299 1.00 0.00 ATOM 212 CG LEU 253 -4.050 -65.412 -13.486 1.00 0.00 ATOM 213 CD1 LEU 253 -4.759 -66.132 -14.622 1.00 0.00 ATOM 214 CD2 LEU 253 -2.564 -65.350 -13.813 1.00 0.00 ATOM 215 O LEU 253 -6.717 -65.715 -11.402 1.00 0.00 ATOM 216 C LEU 253 -6.274 -64.568 -11.512 1.00 0.00 ATOM 217 N SER 254 -5.935 -63.827 -10.460 1.00 0.00 ATOM 218 CA SER 254 -6.080 -64.346 -9.103 1.00 0.00 ATOM 219 CB SER 254 -5.596 -63.314 -8.081 1.00 0.00 ATOM 220 OG SER 254 -6.406 -62.152 -8.109 1.00 0.00 ATOM 221 O SER 254 -7.829 -65.715 -8.203 1.00 0.00 ATOM 222 C SER 254 -7.534 -64.673 -8.793 1.00 0.00 ATOM 223 N LEU 255 -8.438 -63.784 -9.193 1.00 0.00 ATOM 224 CA LEU 255 -9.858 -63.988 -8.959 1.00 0.00 ATOM 225 CB LEU 255 -10.671 -62.834 -9.551 1.00 0.00 ATOM 226 CG LEU 255 -12.182 -62.889 -9.332 1.00 0.00 ATOM 227 CD1 LEU 255 -12.516 -62.808 -7.850 1.00 0.00 ATOM 228 CD2 LEU 255 -12.871 -61.729 -10.036 1.00 0.00 ATOM 229 O LEU 255 -11.119 -66.030 -9.014 1.00 0.00 ATOM 230 C LEU 255 -10.335 -65.287 -9.603 1.00 0.00 ATOM 231 N SER 256 -9.881 -65.589 -10.786 1.00 0.00 ATOM 232 CA SER 256 -10.260 -66.762 -11.538 1.00 0.00 ATOM 233 CB SER 256 -9.770 -66.652 -12.984 1.00 0.00 ATOM 234 OG SER 256 -10.370 -65.553 -13.643 1.00 0.00 ATOM 235 O SER 256 -9.709 -68.974 -11.936 1.00 0.00 ATOM 236 C SER 256 -9.741 -68.103 -11.061 1.00 0.00 ATOM 237 N SER 257 -9.338 -68.282 -9.840 1.00 0.00 ATOM 238 CA SER 257 -8.780 -69.579 -9.449 1.00 0.00 ATOM 239 CB SER 257 -7.239 -69.596 -9.599 1.00 0.00 ATOM 240 OG SER 257 -6.991 -69.088 -10.905 1.00 0.00 ATOM 241 O SER 257 -9.199 -68.897 -7.259 1.00 0.00 ATOM 242 C SER 257 -9.099 -69.863 -8.023 1.00 0.00 ATOM 243 N GLN 258 -9.161 -71.128 -7.619 1.00 0.00 ATOM 244 CA GLN 258 -9.467 -71.363 -6.211 1.00 0.00 ATOM 245 CB GLN 258 -9.920 -72.759 -5.862 1.00 0.00 ATOM 246 CG GLN 258 -9.023 -73.945 -5.821 1.00 0.00 ATOM 247 CD GLN 258 -9.740 -75.294 -5.815 1.00 0.00 ATOM 248 OE1 GLN 258 -9.077 -76.326 -5.980 1.00 0.00 ATOM 249 NE2 GLN 258 -11.046 -75.393 -5.649 1.00 0.00 ATOM 250 O GLN 258 -8.519 -70.813 -4.126 1.00 0.00 ATOM 251 C GLN 258 -8.297 -70.905 -5.328 1.00 0.00 ATOM 252 N ASP 259 -7.119 -70.700 -5.892 1.00 0.00 ATOM 253 CA ASP 259 -5.974 -70.347 -5.045 1.00 0.00 ATOM 254 CB ASP 259 -4.643 -70.500 -5.770 1.00 0.00 ATOM 255 CG ASP 259 -4.299 -72.000 -5.816 1.00 0.00 ATOM 256 OD1 ASP 259 -4.536 -72.779 -4.870 1.00 0.00 ATOM 257 OD2 ASP 259 -3.804 -72.416 -6.862 1.00 0.00 ATOM 258 O ASP 259 -5.385 -68.651 -3.477 1.00 0.00 ATOM 259 C ASP 259 -6.089 -68.949 -4.438 1.00 0.00 ATOM 260 N LEU 260 -6.900 -68.064 -5.001 1.00 0.00 ATOM 261 CA LEU 260 -7.116 -66.766 -4.363 1.00 0.00 ATOM 262 CB LEU 260 -8.144 -65.948 -5.146 1.00 0.00 ATOM 263 CG LEU 260 -8.458 -64.552 -4.604 1.00 0.00 ATOM 264 CD1 LEU 260 -7.221 -63.669 -4.649 1.00 0.00 ATOM 265 CD2 LEU 260 -9.546 -63.885 -5.430 1.00 0.00 ATOM 266 O LEU 260 -7.157 -66.354 -1.970 1.00 0.00 ATOM 267 C LEU 260 -7.631 -66.945 -2.942 1.00 0.00 ATOM 268 N GLU 261 -8.687 -67.762 -2.823 1.00 0.00 ATOM 269 CA GLU 261 -9.277 -68.010 -1.527 1.00 0.00 ATOM 270 CB GLU 261 -10.510 -68.904 -1.662 1.00 0.00 ATOM 271 CG GLU 261 -11.220 -69.186 -0.348 1.00 0.00 ATOM 272 CD GLU 261 -12.466 -70.033 -0.528 1.00 0.00 ATOM 273 OE1 GLU 261 -12.771 -70.401 -1.680 1.00 0.00 ATOM 274 OE2 GLU 261 -13.135 -70.327 0.483 1.00 0.00 ATOM 275 O GLU 261 -8.225 -68.290 0.589 1.00 0.00 ATOM 276 C GLU 261 -8.339 -68.696 -0.564 1.00 0.00 ATOM 277 N LEU 262 -7.622 -69.744 -0.825 1.00 0.00 ATOM 278 CA LEU 262 -6.761 -70.339 0.215 1.00 0.00 ATOM 279 CB LEU 262 -6.111 -71.619 -0.302 1.00 0.00 ATOM 280 CG LEU 262 -7.031 -72.810 -0.566 1.00 0.00 ATOM 281 CD1 LEU 262 -6.244 -73.928 -1.227 1.00 0.00 ATOM 282 CD2 LEU 262 -7.673 -73.304 0.729 1.00 0.00 ATOM 283 O LEU 262 -5.385 -69.170 1.767 1.00 0.00 ATOM 284 C LEU 262 -5.693 -69.289 0.583 1.00 0.00 ATOM 285 N VAL 263 -5.140 -68.597 -0.412 1.00 0.00 ATOM 286 CA VAL 263 -4.130 -67.568 -0.120 1.00 0.00 ATOM 287 CB VAL 263 -3.471 -67.041 -1.410 1.00 0.00 ATOM 288 CG1 VAL 263 -2.569 -65.855 -1.100 1.00 0.00 ATOM 289 CG2 VAL 263 -2.631 -68.128 -2.060 1.00 0.00 ATOM 290 O VAL 263 -4.221 -65.967 1.629 1.00 0.00 ATOM 291 C VAL 263 -4.759 -66.387 0.596 1.00 0.00 ATOM 292 N THR 264 -5.882 -65.898 0.062 1.00 0.00 ATOM 293 CA THR 264 -6.465 -64.684 0.676 1.00 0.00 ATOM 294 CB THR 264 -7.549 -64.059 -0.223 1.00 0.00 ATOM 295 CG2 THR 264 -8.144 -62.826 0.438 1.00 0.00 ATOM 296 OG1 THR 264 -6.972 -63.681 -1.478 1.00 0.00 ATOM 297 O THR 264 -7.110 -63.954 2.831 1.00 0.00 ATOM 298 C THR 264 -7.123 -64.898 2.005 1.00 0.00 ATOM 299 N LYS 265 -7.609 -66.085 2.303 1.00 0.00 ATOM 300 CA LYS 265 -8.224 -66.280 3.624 1.00 0.00 ATOM 301 CB LYS 265 -9.353 -67.309 3.542 1.00 0.00 ATOM 302 CG LYS 265 -8.902 -68.694 3.105 1.00 0.00 ATOM 303 CD LYS 265 -10.074 -69.657 3.030 1.00 0.00 ATOM 304 CE LYS 265 -9.621 -71.042 2.597 1.00 0.00 ATOM 305 NZ LYS 265 -10.763 -71.996 2.508 1.00 0.00 ATOM 306 O LYS 265 -7.581 -66.882 5.856 1.00 0.00 ATOM 307 C LYS 265 -7.244 -66.778 4.667 1.00 0.00 ATOM 308 N GLU 266 -5.883 -66.683 4.159 1.00 0.00 ATOM 309 CA GLU 266 -4.708 -67.125 4.899 1.00 0.00 ATOM 310 CB GLU 266 -3.785 -67.946 3.997 1.00 0.00 ATOM 311 CG GLU 266 -2.620 -68.596 4.728 1.00 0.00 ATOM 312 CD GLU 266 -1.779 -69.471 3.819 1.00 0.00 ATOM 313 OE1 GLU 266 -1.263 -68.953 2.805 1.00 0.00 ATOM 314 OE2 GLU 266 -1.635 -70.675 4.121 1.00 0.00 ATOM 315 O GLU 266 -4.105 -64.785 4.695 1.00 0.00 ATOM 316 C GLU 266 -4.020 -65.835 5.367 1.00 0.00 ATOM 317 N ASP 267 -3.330 -65.874 6.493 1.00 0.00 ATOM 318 CA ASP 267 -2.668 -64.676 6.995 1.00 0.00 ATOM 319 CB ASP 267 -2.090 -65.001 8.392 1.00 0.00 ATOM 320 CG ASP 267 -1.418 -63.838 9.073 1.00 0.00 ATOM 321 OD1 ASP 267 -0.326 -63.464 8.675 1.00 0.00 ATOM 322 OD2 ASP 267 -1.978 -63.304 10.005 1.00 0.00 ATOM 323 O ASP 267 -0.937 -65.219 5.477 1.00 0.00 ATOM 324 C ASP 267 -1.579 -64.295 5.986 1.00 0.00 ATOM 325 N PRO 268 -1.266 -63.028 5.632 1.00 0.00 ATOM 326 CA PRO 268 -0.294 -62.699 4.606 1.00 0.00 ATOM 327 CB PRO 268 -0.432 -61.202 4.411 1.00 0.00 ATOM 328 CG PRO 268 -0.891 -60.711 5.745 1.00 0.00 ATOM 329 CD PRO 268 -1.900 -61.800 6.108 1.00 0.00 ATOM 330 O PRO 268 1.970 -63.203 4.092 1.00 0.00 ATOM 331 C PRO 268 1.117 -63.127 4.970 1.00 0.00 ATOM 332 N LYS 269 1.557 -63.435 6.675 1.00 0.00 ATOM 333 CA LYS 269 2.959 -63.546 7.063 1.00 0.00 ATOM 334 CB LYS 269 3.076 -64.031 8.508 1.00 0.00 ATOM 335 CG LYS 269 2.597 -63.026 9.542 1.00 0.00 ATOM 336 CD LYS 269 2.756 -63.566 10.956 1.00 0.00 ATOM 337 CE LYS 269 2.274 -62.561 11.989 1.00 0.00 ATOM 338 NZ LYS 269 2.412 -63.082 13.376 1.00 0.00 ATOM 339 O LYS 269 4.910 -64.538 6.051 1.00 0.00 ATOM 340 C LYS 269 3.683 -64.550 6.145 1.00 0.00 ATOM 341 N ALA 270 2.921 -65.401 5.469 1.00 0.00 ATOM 342 CA ALA 270 3.495 -66.396 4.550 1.00 0.00 ATOM 343 CB ALA 270 2.398 -67.271 3.965 1.00 0.00 ATOM 344 O ALA 270 5.192 -66.313 2.854 1.00 0.00 ATOM 345 C ALA 270 4.239 -65.736 3.381 1.00 0.00 ATOM 346 N LEU 271 3.806 -64.536 2.974 1.00 0.00 ATOM 347 CA LEU 271 4.466 -63.813 1.880 1.00 0.00 ATOM 348 CB LEU 271 3.481 -62.861 1.199 1.00 0.00 ATOM 349 CG LEU 271 2.309 -63.513 0.463 1.00 0.00 ATOM 350 CD1 LEU 271 1.345 -62.457 -0.057 1.00 0.00 ATOM 351 CD2 LEU 271 2.804 -64.328 -0.722 1.00 0.00 ATOM 352 O LEU 271 6.319 -62.297 1.588 1.00 0.00 ATOM 353 C LEU 271 5.650 -62.974 2.381 1.00 0.00 ATOM 354 N ALA 272 5.892 -63.029 3.702 1.00 0.00 ATOM 355 CA ALA 272 6.984 -62.298 4.329 1.00 0.00 ATOM 356 CB ALA 272 8.318 -62.720 3.735 1.00 0.00 ATOM 357 O ALA 272 7.856 -60.075 4.005 1.00 0.00 ATOM 358 C ALA 272 6.855 -60.781 4.141 1.00 0.00 ATOM 359 N VAL 273 5.615 -60.283 4.131 1.00 0.00 ATOM 360 CA VAL 273 5.394 -58.842 3.985 1.00 0.00 ATOM 361 CB VAL 273 3.892 -58.506 3.928 1.00 0.00 ATOM 362 CG1 VAL 273 3.682 -56.999 3.985 1.00 0.00 ATOM 363 CG2 VAL 273 3.279 -59.029 2.638 1.00 0.00 ATOM 364 O VAL 273 6.819 -57.225 5.060 1.00 0.00 ATOM 365 C VAL 273 6.033 -58.163 5.209 1.00 0.00 ATOM 366 N ALA 274 5.796 -58.616 6.419 1.00 0.00 ATOM 367 CA ALA 274 6.343 -58.064 7.647 1.00 0.00 ATOM 368 CB ALA 274 5.767 -58.705 8.915 1.00 0.00 ATOM 369 O ALA 274 8.532 -57.188 7.974 1.00 0.00 ATOM 370 C ALA 274 7.871 -58.184 7.637 1.00 0.00 ATOM 371 N LEU 275 8.411 -59.304 7.156 1.00 0.00 ATOM 372 CA LEU 275 9.869 -59.469 7.090 1.00 0.00 ATOM 373 CB LEU 275 10.226 -60.877 6.608 1.00 0.00 ATOM 374 CG LEU 275 9.900 -62.025 7.564 1.00 0.00 ATOM 375 CD1 LEU 275 10.187 -63.369 6.910 1.00 0.00 ATOM 376 CD2 LEU 275 10.737 -61.925 8.831 1.00 0.00 ATOM 377 O LEU 275 9.934 -58.160 5.077 1.00 0.00 ATOM 378 C LEU 275 10.500 -58.464 6.125 1.00 0.00 ATOM 379 N ASN 276 11.703 -57.986 6.455 1.00 0.00 ATOM 380 CA ASN 276 12.413 -57.007 5.617 1.00 0.00 ATOM 381 CB ASN 276 13.779 -56.619 6.198 1.00 0.00 ATOM 382 CG ASN 276 13.657 -55.729 7.357 1.00 0.00 ATOM 383 ND2 ASN 276 14.775 -55.524 8.053 1.00 0.00 ATOM 384 OD1 ASN 276 12.583 -55.157 7.582 1.00 0.00 ATOM 385 O ASN 276 12.713 -56.752 3.270 1.00 0.00 ATOM 386 C ASN 276 12.769 -57.508 4.230 1.00 0.00 ATOM 387 N TRP 277 13.179 -58.860 4.246 1.00 0.00 ATOM 388 CA TRP 277 13.435 -59.473 2.950 1.00 0.00 ATOM 389 CB TRP 277 14.199 -60.794 3.120 1.00 0.00 ATOM 390 CG TRP 277 14.673 -61.357 1.812 1.00 0.00 ATOM 391 CD1 TRP 277 15.880 -61.114 1.219 1.00 0.00 ATOM 392 CD2 TRP 277 13.966 -62.245 0.944 1.00 0.00 ATOM 393 CE2 TRP 277 14.806 -62.499 -0.165 1.00 0.00 ATOM 394 CE3 TRP 277 12.706 -62.851 0.986 1.00 0.00 ATOM 395 NE1 TRP 277 15.968 -61.797 0.030 1.00 0.00 ATOM 396 CZ2 TRP 277 14.435 -63.334 -1.225 1.00 0.00 ATOM 397 CZ3 TRP 277 12.347 -63.674 -0.065 1.00 0.00 ATOM 398 CH2 TRP 277 13.193 -63.918 -1.160 1.00 0.00 ATOM 399 O TRP 277 12.072 -59.636 0.994 1.00 0.00 ATOM 400 C TRP 277 12.126 -59.714 2.214 1.00 0.00 ATOM 401 N ASP 278 11.135 -60.017 3.085 1.00 0.00 ATOM 402 CA ASP 278 9.882 -60.221 2.353 1.00 0.00 ATOM 403 CB ASP 278 8.989 -61.222 3.089 1.00 0.00 ATOM 404 CG ASP 278 9.563 -62.626 3.085 1.00 0.00 ATOM 405 OD1 ASP 278 8.771 -63.591 3.114 1.00 0.00 ATOM 406 OD2 ASP 278 10.804 -62.761 3.054 1.00 0.00 ATOM 407 O ASP 278 7.960 -58.967 1.741 1.00 0.00 ATOM 408 C ASP 278 9.092 -58.930 2.197 1.00 0.00 ATOM 409 N ILE 279 9.668 -57.798 2.568 1.00 0.00 ATOM 410 CA ILE 279 8.930 -56.554 2.353 1.00 0.00 ATOM 411 CB ILE 279 9.678 -55.316 2.911 1.00 0.00 ATOM 412 CG1 ILE 279 11.048 -55.158 2.220 1.00 0.00 ATOM 413 CG2 ILE 279 9.825 -55.430 4.427 1.00 0.00 ATOM 414 CD1 ILE 279 11.804 -53.876 2.697 1.00 0.00 ATOM 415 O ILE 279 7.832 -55.536 0.427 1.00 0.00 ATOM 416 C ILE 279 8.703 -56.340 0.833 1.00 0.00 ATOM 417 N LYS 280 9.489 -57.026 -0.002 1.00 0.00 ATOM 418 CA LYS 280 9.380 -56.895 -1.449 1.00 0.00 ATOM 419 CB LYS 280 10.227 -57.957 -2.149 1.00 0.00 ATOM 420 CG LYS 280 10.244 -57.839 -3.665 1.00 0.00 ATOM 421 CD LYS 280 11.146 -58.890 -4.290 1.00 0.00 ATOM 422 CE LYS 280 11.153 -58.779 -5.807 1.00 0.00 ATOM 423 NZ LYS 280 12.041 -59.796 -6.435 1.00 0.00 ATOM 424 O LYS 280 7.444 -56.129 -2.608 1.00 0.00 ATOM 425 C LYS 280 7.964 -57.046 -1.977 1.00 0.00 ATOM 426 N LYS 281 7.303 -58.183 -1.719 1.00 0.00 ATOM 427 CA LYS 281 5.933 -58.404 -2.192 1.00 0.00 ATOM 428 CB LYS 281 5.371 -59.707 -1.616 1.00 0.00 ATOM 429 CG LYS 281 5.980 -60.964 -2.217 1.00 0.00 ATOM 430 CD LYS 281 5.368 -62.216 -1.612 1.00 0.00 ATOM 431 CE LYS 281 5.976 -63.474 -2.212 1.00 0.00 ATOM 432 NZ LYS 281 5.396 -64.710 -1.618 1.00 0.00 ATOM 433 O LYS 281 4.208 -56.783 -2.627 1.00 0.00 ATOM 434 C LYS 281 4.959 -57.284 -1.792 1.00 0.00 ATOM 435 N THR 282 4.996 -56.892 -0.511 1.00 0.00 ATOM 436 CA THR 282 4.109 -55.842 -0.007 1.00 0.00 ATOM 437 CB THR 282 4.284 -55.705 1.519 1.00 0.00 ATOM 438 CG2 THR 282 3.338 -54.665 2.090 1.00 0.00 ATOM 439 OG1 THR 282 4.002 -56.974 2.151 1.00 0.00 ATOM 440 O THR 282 3.432 -53.828 -1.204 1.00 0.00 ATOM 441 C THR 282 4.367 -54.528 -0.742 1.00 0.00 ATOM 442 N GLU 283 5.644 -54.142 -0.857 1.00 0.00 ATOM 443 CA GLU 283 5.999 -52.910 -1.586 1.00 0.00 ATOM 444 CB GLU 283 7.498 -52.629 -1.463 1.00 0.00 ATOM 445 CG GLU 283 7.945 -52.237 -0.064 1.00 0.00 ATOM 446 CD GLU 283 9.443 -52.019 0.030 1.00 0.00 ATOM 447 OE1 GLU 283 10.138 -52.223 -0.987 1.00 0.00 ATOM 448 OE2 GLU 283 9.920 -51.643 1.120 1.00 0.00 ATOM 449 O GLU 283 5.194 -52.115 -3.652 1.00 0.00 ATOM 450 C GLU 283 5.638 -53.091 -3.045 1.00 0.00 ATOM 451 N THR 284 5.794 -54.306 -3.641 1.00 0.00 ATOM 452 CA THR 284 5.491 -54.568 -5.066 1.00 0.00 ATOM 453 CB THR 284 5.962 -55.970 -5.495 1.00 0.00 ATOM 454 CG2 THR 284 5.610 -56.227 -6.951 1.00 0.00 ATOM 455 OG1 THR 284 7.384 -56.066 -5.340 1.00 0.00 ATOM 456 O THR 284 3.567 -53.886 -6.321 1.00 0.00 ATOM 457 C THR 284 4.000 -54.481 -5.314 1.00 0.00 ATOM 458 N VAL 285 3.277 -55.058 -4.352 1.00 0.00 ATOM 459 CA VAL 285 1.819 -55.008 -4.350 1.00 0.00 ATOM 460 CB VAL 285 1.235 -55.690 -3.097 1.00 0.00 ATOM 461 CG1 VAL 285 -0.265 -55.448 -3.012 1.00 0.00 ATOM 462 CG2 VAL 285 1.478 -57.190 -3.145 1.00 0.00 ATOM 463 O VAL 285 0.562 -53.144 -5.228 1.00 0.00 ATOM 464 C VAL 285 1.365 -53.549 -4.368 1.00 0.00 ATOM 465 N GLN 286 1.904 -52.758 -3.432 1.00 0.00 ATOM 466 CA GLN 286 1.553 -51.345 -3.341 1.00 0.00 ATOM 467 CB GLN 286 2.248 -50.710 -2.135 1.00 0.00 ATOM 468 CG GLN 286 1.695 -51.214 -0.808 1.00 0.00 ATOM 469 CD GLN 286 2.457 -50.687 0.393 1.00 0.00 ATOM 470 OE1 GLN 286 3.369 -49.873 0.256 1.00 0.00 ATOM 471 NE2 GLN 286 2.084 -51.154 1.582 1.00 0.00 ATOM 472 O GLN 286 1.112 -49.793 -5.105 1.00 0.00 ATOM 473 C GLN 286 1.898 -50.602 -4.623 1.00 0.00 ATOM 474 N GLU 287 3.065 -50.888 -5.184 1.00 0.00 ATOM 475 CA GLU 287 3.483 -50.243 -6.421 1.00 0.00 ATOM 476 CB GLU 287 4.907 -50.659 -6.776 1.00 0.00 ATOM 477 CG GLU 287 5.972 -50.067 -5.869 1.00 0.00 ATOM 478 CD GLU 287 7.353 -50.642 -6.145 1.00 0.00 ATOM 479 OE1 GLU 287 7.658 -50.914 -7.325 1.00 0.00 ATOM 480 OE2 GLU 287 8.136 -50.813 -5.184 1.00 0.00 ATOM 481 O GLU 287 2.112 -49.739 -8.326 1.00 0.00 ATOM 482 C GLU 287 2.537 -50.607 -7.563 1.00 0.00 ATOM 483 N ALA 288 0.537 -52.368 -7.608 1.00 0.00 ATOM 484 CA ALA 288 -0.326 -53.069 -8.559 1.00 0.00 ATOM 485 CB ALA 288 0.510 -53.908 -9.513 1.00 0.00 ATOM 486 O ALA 288 -2.521 -53.971 -8.176 1.00 0.00 ATOM 487 C ALA 288 -1.318 -54.013 -7.890 1.00 0.00 ATOM 488 N CYS 289 -0.797 -54.864 -7.002 1.00 0.00 ATOM 489 CA CYS 289 -1.670 -55.819 -6.316 1.00 0.00 ATOM 490 CB CYS 289 -0.842 -56.801 -5.486 1.00 0.00 ATOM 491 SG CYS 289 0.153 -57.953 -6.461 1.00 0.00 ATOM 492 O CYS 289 -3.812 -55.465 -5.300 1.00 0.00 ATOM 493 C CYS 289 -2.640 -55.104 -5.375 1.00 0.00 ATOM 494 N GLU 290 -2.142 -54.093 -4.661 1.00 0.00 ATOM 495 CA GLU 290 -2.992 -53.362 -3.718 1.00 0.00 ATOM 496 CB GLU 290 -2.180 -52.505 -2.755 1.00 0.00 ATOM 497 CG GLU 290 -1.333 -53.315 -1.792 1.00 0.00 ATOM 498 CD GLU 290 -1.215 -52.715 -0.406 1.00 0.00 ATOM 499 OE1 GLU 290 -1.699 -51.581 -0.130 1.00 0.00 ATOM 500 OE2 GLU 290 -0.591 -53.433 0.424 1.00 0.00 ATOM 501 O GLU 290 -5.200 -52.504 -3.928 1.00 0.00 ATOM 502 C GLU 290 -4.062 -52.551 -4.434 1.00 0.00 ATOM 503 N ARG 291 -3.764 -51.926 -5.566 1.00 0.00 ATOM 504 CA ARG 291 -4.783 -51.184 -6.303 1.00 0.00 ATOM 505 CB ARG 291 -4.148 -50.402 -7.455 1.00 0.00 ATOM 506 CG ARG 291 -5.137 -49.579 -8.263 1.00 0.00 ATOM 507 CD ARG 291 -4.431 -48.768 -9.339 1.00 0.00 ATOM 508 NE ARG 291 -5.368 -47.981 -10.135 1.00 0.00 ATOM 509 CZ ARG 291 -5.021 -47.233 -11.178 1.00 0.00 ATOM 510 NH1 ARG 291 -5.942 -46.551 -11.842 1.00 0.00 ATOM 511 NH2 ARG 291 -3.749 -47.171 -11.553 1.00 0.00 ATOM 512 O ARG 291 -7.041 -51.931 -6.747 1.00 0.00 ATOM 513 C ARG 291 -5.821 -52.117 -6.882 1.00 0.00 ATOM 514 N GLU 292 -5.331 -53.192 -7.508 1.00 0.00 ATOM 515 CA GLU 292 -6.172 -54.192 -8.166 1.00 0.00 ATOM 516 CB GLU 292 -5.314 -55.159 -8.986 1.00 0.00 ATOM 517 CG GLU 292 -4.663 -54.529 -10.207 1.00 0.00 ATOM 518 CD GLU 292 -5.679 -53.989 -11.195 1.00 0.00 ATOM 519 OE1 GLU 292 -6.597 -54.745 -11.574 1.00 0.00 ATOM 520 OE2 GLU 292 -5.553 -52.812 -11.592 1.00 0.00 ATOM 521 O GLU 292 -8.181 -55.264 -7.393 1.00 0.00 ATOM 522 C GLU 292 -6.978 -55.028 -7.182 1.00 0.00 ATOM 523 N LEU 293 -6.367 -55.426 -6.057 1.00 0.00 ATOM 524 CA LEU 293 -7.093 -56.174 -5.033 1.00 0.00 ATOM 525 CB LEU 293 -6.167 -56.526 -3.867 1.00 0.00 ATOM 526 CG LEU 293 -6.702 -57.549 -2.861 1.00 0.00 ATOM 527 CD1 LEU 293 -6.928 -58.894 -3.530 1.00 0.00 ATOM 528 CD2 LEU 293 -5.716 -57.743 -1.720 1.00 0.00 ATOM 529 O LEU 293 -9.378 -55.848 -4.306 1.00 0.00 ATOM 530 C LEU 293 -8.260 -55.347 -4.488 1.00 0.00 ATOM 531 N ALA 294 -8.043 -53.973 -4.734 1.00 0.00 ATOM 532 CA ALA 294 -9.185 -53.175 -4.298 1.00 0.00 ATOM 533 CB ALA 294 -8.728 -51.793 -3.856 1.00 0.00 ATOM 534 O ALA 294 -11.406 -53.125 -5.215 1.00 0.00 ATOM 535 C ALA 294 -10.200 -53.007 -5.437 1.00 0.00 ATOM 536 N LEU 295 -9.678 -52.716 -6.624 1.00 0.00 ATOM 537 CA LEU 295 -10.562 -52.560 -7.751 1.00 0.00 ATOM 538 CB LEU 295 -9.767 -52.206 -9.009 1.00 0.00 ATOM 539 CG LEU 295 -9.158 -50.803 -9.056 1.00 0.00 ATOM 540 CD1 LEU 295 -8.296 -50.631 -10.295 1.00 0.00 ATOM 541 CD2 LEU 295 -10.252 -49.745 -9.086 1.00 0.00 ATOM 542 O LEU 295 -12.528 -53.781 -8.211 1.00 0.00 ATOM 543 C LEU 295 -11.326 -53.876 -7.999 1.00 0.00 ATOM 544 N ARG 296 -10.672 -55.090 -7.923 1.00 0.00 ATOM 545 CA ARG 296 -11.384 -56.350 -8.115 1.00 0.00 ATOM 546 CB ARG 296 -10.414 -57.530 -8.038 1.00 0.00 ATOM 547 CG ARG 296 -11.069 -58.885 -8.258 1.00 0.00 ATOM 548 CD ARG 296 -10.041 -60.004 -8.223 1.00 0.00 ATOM 549 NE ARG 296 -9.445 -60.157 -6.898 1.00 0.00 ATOM 550 CZ ARG 296 -8.224 -59.740 -6.577 1.00 0.00 ATOM 551 NH1 ARG 296 -7.765 -59.920 -5.345 1.00 0.00 ATOM 552 NH2 ARG 296 -7.466 -59.140 -7.486 1.00 0.00 ATOM 553 O ARG 296 -13.552 -56.971 -7.342 1.00 0.00 ATOM 554 C ARG 296 -12.439 -56.573 -7.088 1.00 0.00 ATOM 555 N LEU 297 -12.065 -56.327 -5.875 1.00 0.00 ATOM 556 CA LEU 297 -12.998 -56.483 -4.747 1.00 0.00 ATOM 557 CB LEU 297 -12.320 -56.088 -3.434 1.00 0.00 ATOM 558 CG LEU 297 -13.167 -56.221 -2.166 1.00 0.00 ATOM 559 CD1 LEU 297 -13.550 -57.673 -1.925 1.00 0.00 ATOM 560 CD2 LEU 297 -12.398 -55.725 -0.952 1.00 0.00 ATOM 561 O LEU 297 -15.372 -56.037 -4.825 1.00 0.00 ATOM 562 C LEU 297 -14.211 -55.584 -4.969 1.00 0.00 ATOM 563 N GLN 298 -13.931 -54.325 -5.288 1.00 0.00 ATOM 564 CA GLN 298 -15.043 -53.365 -5.420 1.00 0.00 ATOM 565 CB GLN 298 -14.461 -51.975 -5.676 1.00 0.00 ATOM 566 CG GLN 298 -13.820 -51.330 -4.453 1.00 0.00 ATOM 567 CD GLN 298 -14.871 -51.102 -3.382 1.00 0.00 ATOM 568 OE1 GLN 298 -16.055 -50.957 -3.712 1.00 0.00 ATOM 569 NE2 GLN 298 -14.472 -51.074 -2.115 1.00 0.00 ATOM 570 O GLN 298 -17.212 -53.917 -6.331 1.00 0.00 ATOM 571 C GLN 298 -15.991 -53.818 -6.516 1.00 0.00 ATOM 572 N GLN 299 -15.461 -54.129 -7.695 1.00 0.00 ATOM 573 CA GLN 299 -16.337 -54.538 -8.795 1.00 0.00 ATOM 574 CB GLN 299 -15.531 -54.831 -10.066 1.00 0.00 ATOM 575 CG GLN 299 -16.382 -55.408 -11.198 1.00 0.00 ATOM 576 CD GLN 299 -15.621 -55.484 -12.510 1.00 0.00 ATOM 577 OE1 GLN 299 -15.691 -54.578 -13.333 1.00 0.00 ATOM 578 NE2 GLN 299 -14.875 -56.569 -12.716 1.00 0.00 ATOM 579 O GLN 299 -18.343 -55.850 -8.766 1.00 0.00 ATOM 580 C GLN 299 -17.160 -55.759 -8.429 1.00 0.00 ATOM 581 N THR 300 -16.573 -56.719 -7.744 1.00 0.00 ATOM 582 CA THR 300 -17.294 -57.952 -7.444 1.00 0.00 ATOM 583 CB THR 300 -16.749 -59.138 -8.264 1.00 0.00 ATOM 584 CG2 THR 300 -16.786 -58.819 -9.750 1.00 0.00 ATOM 585 OG1 THR 300 -15.394 -59.402 -7.880 1.00 0.00 ATOM 586 O THR 300 -16.206 -57.563 -5.336 1.00 0.00 ATOM 587 C THR 300 -17.084 -58.190 -5.942 1.00 0.00 ATOM 588 N GLN 301 -17.847 -59.112 -5.341 1.00 0.00 ATOM 589 CA GLN 301 -17.658 -59.379 -3.915 1.00 0.00 ATOM 590 CB GLN 301 -18.857 -60.147 -3.392 1.00 0.00 ATOM 591 CG GLN 301 -20.095 -59.268 -3.356 1.00 0.00 ATOM 592 CD GLN 301 -21.289 -60.029 -2.836 1.00 0.00 ATOM 593 OE1 GLN 301 -21.382 -61.266 -2.903 1.00 0.00 ATOM 594 NE2 GLN 301 -22.241 -59.272 -2.291 1.00 0.00 ATOM 595 O GLN 301 -15.929 -60.168 -2.500 1.00 0.00 ATOM 596 C GLN 301 -16.366 -60.137 -3.655 1.00 0.00 ATOM 597 N SER 302 -16.143 -61.378 -4.431 1.00 0.00 ATOM 598 CA SER 302 -15.510 -62.667 -4.275 1.00 0.00 ATOM 599 CB SER 302 -15.339 -63.349 -5.633 1.00 0.00 ATOM 600 OG SER 302 -16.595 -63.597 -6.243 1.00 0.00 ATOM 601 O SER 302 -13.756 -63.390 -2.798 1.00 0.00 ATOM 602 C SER 302 -14.122 -62.555 -3.633 1.00 0.00 ATOM 603 N LEU 303 -13.336 -61.566 -4.029 1.00 0.00 ATOM 604 CA LEU 303 -12.010 -61.324 -3.436 1.00 0.00 ATOM 605 CB LEU 303 -11.336 -60.122 -4.100 1.00 0.00 ATOM 606 CG LEU 303 -9.936 -59.764 -3.596 1.00 0.00 ATOM 607 CD1 LEU 303 -8.959 -60.895 -3.875 1.00 0.00 ATOM 608 CD2 LEU 303 -9.421 -58.509 -4.286 1.00 0.00 ATOM 609 O LEU 303 -11.381 -61.580 -1.149 1.00 0.00 ATOM 610 C LEU 303 -12.131 -61.037 -1.940 1.00 0.00 ATOM 611 N HIS 304 -13.078 -60.169 -1.564 1.00 0.00 ATOM 612 CA HIS 304 -13.342 -59.893 -0.155 1.00 0.00 ATOM 613 CB HIS 304 -14.305 -58.713 -0.011 1.00 0.00 ATOM 614 CG HIS 304 -14.550 -58.302 1.407 1.00 0.00 ATOM 615 CD2 HIS 304 -15.585 -58.558 2.400 1.00 0.00 ATOM 616 ND1 HIS 304 -13.686 -57.487 2.105 1.00 0.00 ATOM 617 CE1 HIS 304 -14.170 -57.297 3.346 1.00 0.00 ATOM 618 NE2 HIS 304 -15.307 -57.936 3.529 1.00 0.00 ATOM 619 O HIS 304 -13.655 -61.511 1.604 1.00 0.00 ATOM 620 C HIS 304 -13.967 -61.146 0.471 1.00 0.00 ATOM 621 N SER 305 -14.824 -61.814 -0.298 1.00 0.00 ATOM 622 CA SER 305 -15.476 -63.050 0.152 1.00 0.00 ATOM 623 CB SER 305 -16.484 -63.536 -0.891 1.00 0.00 ATOM 624 OG SER 305 -17.563 -62.624 -1.021 1.00 0.00 ATOM 625 O SER 305 -14.407 -64.812 1.390 1.00 0.00 ATOM 626 C SER 305 -14.416 -64.129 0.363 1.00 0.00 ATOM 627 N LEU 306 -13.499 -64.239 -0.602 1.00 0.00 ATOM 628 CA LEU 306 -12.413 -65.215 -0.542 1.00 0.00 ATOM 629 CB LEU 306 -11.660 -65.261 -1.873 1.00 0.00 ATOM 630 CG LEU 306 -12.423 -65.846 -3.062 1.00 0.00 ATOM 631 CD1 LEU 306 -11.610 -65.714 -4.341 1.00 0.00 ATOM 632 CD2 LEU 306 -12.720 -67.320 -2.839 1.00 0.00 ATOM 633 O LEU 306 -10.599 -65.762 0.922 1.00 0.00 ATOM 634 C LEU 306 -11.388 -64.897 0.543 1.00 0.00 ATOM 635 N ARG 307 -11.428 -63.671 1.056 1.00 0.00 ATOM 636 CA ARG 307 -10.520 -63.184 2.069 1.00 0.00 ATOM 637 CB ARG 307 -10.424 -61.661 1.946 1.00 0.00 ATOM 638 CG ARG 307 -9.679 -60.952 3.039 1.00 0.00 ATOM 639 CD ARG 307 -8.207 -61.331 3.143 1.00 0.00 ATOM 640 NE ARG 307 -7.733 -60.843 4.454 1.00 0.00 ATOM 641 CZ ARG 307 -6.890 -59.847 4.652 1.00 0.00 ATOM 642 NH1 ARG 307 -6.306 -59.125 3.709 1.00 0.00 ATOM 643 NH2 ARG 307 -6.599 -59.575 5.909 1.00 0.00 ATOM 644 O ARG 307 -12.176 -63.567 3.694 1.00 0.00 ATOM 645 C ARG 307 -10.951 -63.504 3.482 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Aug 15 21:18:18 2002 Date: Thu, 15 Aug 2002 21:18:12 -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 Thu Aug 15 20:50:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_677260_25543 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0139TS001_2 Current information on models submitted in prediction T0139TS001 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_2 PIN_677260_25543 4069-6308-1312 08/15/02 20:50:27 karplus@cse.ucsc.edu T0139TS001_1 PIN_646958_25541 4069-6308-1312 08/15/02 20:47:24 karplus@cse.ucsc.edu T0139TS001_1 PIN_745057_25443 4069-6308-1312 08/15/02 17:57:06 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 T0139 MODEL_INDEX PIN CODE DATE E-mail T0139TS001_1 PIN_646958_25541 4069-6308-1312 08/15/02 20:47:24 karplus@cse.ucsc.edu T0139TS001_2 PIN_677260_25543 4069-6308-1312 08/15/02 20:50:27 karplus@cse.ucsc.edu T0139SS001_1 PIN_141843_15900 4069-6308-1312 07/26/02 15:02:12 karplus@bray.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 T0139 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: T0139 # Total number of residues in target: 83 # Total number of residues in model: 83 # Total number of atoms in model: 645 # Number of atoms with 1.0 occupancy: 645 # Number of fragments in model: 1 # Number of METHOD records: 98 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0139 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 MODEL 2 PARENT N/A ATOM 1 N THR 225 -3.568 -70.429 3.185 1.00 0.00 ATOM 2 CA THR 225 -4.031 -71.842 3.314 1.00 0.00 ATOM 3 CB THR 225 -2.860 -72.794 3.619 1.00 0.00 ATOM 4 CG2 THR 225 -3.345 -74.235 3.675 1.00 0.00 ATOM 5 OG1 THR 225 -1.866 -72.679 2.593 1.00 0.00 ATOM 6 O THR 225 -6.098 -71.334 4.427 1.00 0.00 ATOM 7 C THR 225 -5.046 -71.975 4.443 1.00 0.00 ATOM 8 N GLY 226 -4.717 -72.818 5.421 1.00 0.00 ATOM 9 CA GLY 226 -5.581 -73.041 6.570 1.00 0.00 ATOM 10 O GLY 226 -3.777 -72.826 8.132 1.00 0.00 ATOM 11 C GLY 226 -4.789 -72.311 7.646 1.00 0.00 ATOM 12 N ILE 227 -5.263 -71.143 8.044 1.00 0.00 ATOM 13 CA ILE 227 -4.527 -70.298 8.988 1.00 0.00 ATOM 14 CB ILE 227 -5.111 -68.874 9.045 1.00 0.00 ATOM 15 CG1 ILE 227 -6.549 -68.908 9.566 1.00 0.00 ATOM 16 CG2 ILE 227 -5.115 -68.244 7.660 1.00 0.00 ATOM 17 CD1 ILE 227 -7.128 -67.539 9.851 1.00 0.00 ATOM 18 O ILE 227 -3.689 -70.414 11.225 1.00 0.00 ATOM 19 C ILE 227 -4.535 -70.810 10.424 1.00 0.00 ATOM 20 N SER 228 -5.497 -71.686 10.746 1.00 0.00 ATOM 21 CA SER 228 -5.616 -72.216 12.093 1.00 0.00 ATOM 22 CB SER 228 -6.750 -73.241 12.167 1.00 0.00 ATOM 23 OG SER 228 -8.007 -72.628 11.938 1.00 0.00 ATOM 24 O SER 228 -3.871 -72.762 13.667 1.00 0.00 ATOM 25 C SER 228 -4.329 -72.899 12.520 1.00 0.00 ATOM 26 N ARG 229 -3.733 -73.675 11.610 1.00 0.00 ATOM 27 CA ARG 229 -2.461 -74.362 11.977 1.00 0.00 ATOM 28 CB ARG 229 -2.424 -75.773 11.387 1.00 0.00 ATOM 29 CG ARG 229 -3.436 -76.728 11.999 1.00 0.00 ATOM 30 CD ARG 229 -3.359 -78.102 11.352 1.00 0.00 ATOM 31 NE ARG 229 -4.338 -79.028 11.917 1.00 0.00 ATOM 32 CZ ARG 229 -4.545 -80.262 11.469 1.00 0.00 ATOM 33 NH1 ARG 229 -5.457 -81.033 12.045 1.00 0.00 ATOM 34 NH2 ARG 229 -3.838 -80.722 10.446 1.00 0.00 ATOM 35 O ARG 229 -1.057 -73.559 10.224 1.00 0.00 ATOM 36 C ARG 229 -1.349 -73.514 11.404 1.00 0.00 ATOM 37 N GLU 230 -0.758 -72.728 12.313 1.00 0.00 ATOM 38 CA GLU 230 0.294 -71.804 11.886 1.00 0.00 ATOM 39 CB GLU 230 0.854 -71.038 13.086 1.00 0.00 ATOM 40 CG GLU 230 -0.117 -70.039 13.693 1.00 0.00 ATOM 41 CD GLU 230 0.453 -69.339 14.911 1.00 0.00 ATOM 42 OE1 GLU 230 1.589 -69.672 15.311 1.00 0.00 ATOM 43 OE2 GLU 230 -0.235 -68.457 15.466 1.00 0.00 ATOM 44 O GLU 230 1.980 -72.100 10.188 1.00 0.00 ATOM 45 C GLU 230 1.448 -72.559 11.219 1.00 0.00 ATOM 46 N THR 231 1.797 -73.732 11.783 1.00 0.00 ATOM 47 CA THR 231 2.883 -74.498 11.145 1.00 0.00 ATOM 48 CB THR 231 3.329 -75.682 12.022 1.00 0.00 ATOM 49 CG2 THR 231 4.423 -76.478 11.327 1.00 0.00 ATOM 50 OG1 THR 231 3.834 -75.192 13.271 1.00 0.00 ATOM 51 O THR 231 3.126 -74.973 8.830 1.00 0.00 ATOM 52 C THR 231 2.381 -75.039 9.802 1.00 0.00 ATOM 53 N SER 232 1.147 -75.489 9.703 1.00 0.00 ATOM 54 CA SER 232 0.600 -75.959 8.434 1.00 0.00 ATOM 55 CB SER 232 -0.816 -76.503 8.630 1.00 0.00 ATOM 56 OG SER 232 -0.809 -77.666 9.440 1.00 0.00 ATOM 57 O SER 232 0.907 -74.903 6.290 1.00 0.00 ATOM 58 C SER 232 0.571 -74.774 7.472 1.00 0.00 ATOM 59 N SER 233 0.157 -73.598 7.941 1.00 0.00 ATOM 60 CA SER 233 0.049 -72.436 7.090 1.00 0.00 ATOM 61 CB SER 233 -0.583 -71.270 7.853 1.00 0.00 ATOM 62 OG SER 233 0.242 -70.856 8.928 1.00 0.00 ATOM 63 O SER 233 1.541 -71.571 5.413 1.00 0.00 ATOM 64 C SER 233 1.417 -71.968 6.578 1.00 0.00 ATOM 65 N ASP 234 2.432 -71.973 7.440 1.00 0.00 ATOM 66 CA ASP 234 3.777 -71.612 7.020 1.00 0.00 ATOM 67 CB ASP 234 4.736 -71.638 8.212 1.00 0.00 ATOM 68 CG ASP 234 4.505 -70.485 9.170 1.00 0.00 ATOM 69 OD1 ASP 234 5.320 -70.314 10.101 1.00 0.00 ATOM 70 OD2 ASP 234 3.510 -69.752 8.989 1.00 0.00 ATOM 71 O ASP 234 4.706 -72.238 4.933 1.00 0.00 ATOM 72 C ASP 234 4.212 -72.639 5.971 1.00 0.00 ATOM 73 N VAL 235 4.007 -73.963 6.134 1.00 0.00 ATOM 74 CA VAL 235 4.408 -75.030 5.194 1.00 0.00 ATOM 75 CB VAL 235 4.009 -76.422 5.717 1.00 0.00 ATOM 76 CG1 VAL 235 4.242 -77.480 4.649 1.00 0.00 ATOM 77 CG2 VAL 235 4.832 -76.787 6.943 1.00 0.00 ATOM 78 O VAL 235 4.324 -74.712 2.796 1.00 0.00 ATOM 79 C VAL 235 3.719 -74.795 3.853 1.00 0.00 ATOM 80 N ALA 236 2.410 -74.628 3.979 1.00 0.00 ATOM 81 CA ALA 236 1.579 -74.200 2.850 1.00 0.00 ATOM 82 CB ALA 236 0.122 -74.093 3.274 1.00 0.00 ATOM 83 O ALA 236 2.149 -72.653 1.090 1.00 0.00 ATOM 84 C ALA 236 2.008 -72.836 2.310 1.00 0.00 ATOM 85 N LEU 237 2.225 -71.881 3.217 1.00 0.00 ATOM 86 CA LEU 237 2.696 -70.549 2.829 1.00 0.00 ATOM 87 CB LEU 237 2.761 -69.627 4.049 1.00 0.00 ATOM 88 CG LEU 237 1.419 -69.170 4.625 1.00 0.00 ATOM 89 CD1 LEU 237 1.627 -68.369 5.901 1.00 0.00 ATOM 90 CD2 LEU 237 0.677 -68.292 3.628 1.00 0.00 ATOM 91 O LEU 237 4.327 -69.984 1.167 1.00 0.00 ATOM 92 C LEU 237 4.091 -70.603 2.209 1.00 0.00 ATOM 93 N ALA 238 5.004 -71.346 2.835 1.00 0.00 ATOM 94 CA ALA 238 6.368 -71.491 2.320 1.00 0.00 ATOM 95 CB ALA 238 7.201 -72.350 3.259 1.00 0.00 ATOM 96 O ALA 238 7.074 -71.670 0.046 1.00 0.00 ATOM 97 C ALA 238 6.382 -72.151 0.945 1.00 0.00 ATOM 98 N SER 239 5.533 -73.162 0.761 1.00 0.00 ATOM 99 CA SER 239 5.378 -73.797 -0.560 1.00 0.00 ATOM 100 CB SER 239 4.432 -74.996 -0.470 1.00 0.00 ATOM 101 OG SER 239 4.987 -76.025 0.330 1.00 0.00 ATOM 102 O SER 239 5.280 -72.775 -2.729 1.00 0.00 ATOM 103 C SER 239 4.805 -72.809 -1.568 1.00 0.00 ATOM 104 N HIS 240 3.829 -72.002 -1.166 1.00 0.00 ATOM 105 CA HIS 240 3.242 -71.032 -2.038 1.00 0.00 ATOM 106 CB HIS 240 1.754 -70.860 -1.724 1.00 0.00 ATOM 107 CG HIS 240 0.929 -72.072 -2.028 1.00 0.00 ATOM 108 CD2 HIS 240 0.326 -72.644 -3.223 1.00 0.00 ATOM 109 ND1 HIS 240 0.554 -72.979 -1.061 1.00 0.00 ATOM 110 CE1 HIS 240 -0.176 -73.953 -1.633 1.00 0.00 ATOM 111 NE2 HIS 240 -0.317 -73.758 -2.930 1.00 0.00 ATOM 112 O HIS 240 3.147 -68.755 -2.464 1.00 0.00 ATOM 113 C HIS 240 3.820 -69.652 -1.982 1.00 0.00 ATOM 114 N ILE 241 5.054 -69.409 -1.574 1.00 0.00 ATOM 115 CA ILE 241 5.445 -68.015 -1.378 1.00 0.00 ATOM 116 CB ILE 241 6.846 -67.905 -0.747 1.00 0.00 ATOM 117 CG1 ILE 241 6.831 -68.450 0.682 1.00 0.00 ATOM 118 CG2 ILE 241 7.298 -66.454 -0.705 1.00 0.00 ATOM 119 CD1 ILE 241 8.207 -68.609 1.290 1.00 0.00 ATOM 120 O ILE 241 4.899 -66.162 -2.798 1.00 0.00 ATOM 121 C ILE 241 5.492 -67.229 -2.650 1.00 0.00 ATOM 122 N LEU 242 6.161 -67.837 -3.617 1.00 0.00 ATOM 123 CA LEU 242 6.340 -67.238 -4.933 1.00 0.00 ATOM 124 CB LEU 242 7.078 -68.202 -5.864 1.00 0.00 ATOM 125 CG LEU 242 8.557 -68.444 -5.555 1.00 0.00 ATOM 126 CD1 LEU 242 9.130 -69.512 -6.473 1.00 0.00 ATOM 127 CD2 LEU 242 9.363 -67.169 -5.748 1.00 0.00 ATOM 128 O LEU 242 4.883 -65.877 -6.259 1.00 0.00 ATOM 129 C LEU 242 5.002 -66.896 -5.578 1.00 0.00 ATOM 130 N THR 243 3.984 -67.715 -5.331 1.00 0.00 ATOM 131 CA THR 243 2.661 -67.467 -5.900 1.00 0.00 ATOM 132 CB THR 243 1.742 -68.693 -5.748 1.00 0.00 ATOM 133 CG2 THR 243 0.362 -68.398 -6.314 1.00 0.00 ATOM 134 OG1 THR 243 2.305 -69.806 -6.454 1.00 0.00 ATOM 135 O THR 243 1.308 -65.482 -5.795 1.00 0.00 ATOM 136 C THR 243 2.014 -66.284 -5.181 1.00 0.00 ATOM 137 N ALA 244 2.254 -66.196 -3.875 1.00 0.00 ATOM 138 CA ALA 244 1.703 -65.110 -3.060 1.00 0.00 ATOM 139 CB ALA 244 2.103 -65.285 -1.603 1.00 0.00 ATOM 140 O ALA 244 1.442 -62.788 -3.580 1.00 0.00 ATOM 141 C ALA 244 2.207 -63.746 -3.523 1.00 0.00 ATOM 142 N LEU 245 3.491 -63.662 -3.851 1.00 0.00 ATOM 143 CA LEU 245 4.070 -62.396 -4.267 1.00 0.00 ATOM 144 CB LEU 245 5.597 -62.490 -4.299 1.00 0.00 ATOM 145 CG LEU 245 6.351 -61.182 -4.549 1.00 0.00 ATOM 146 CD1 LEU 245 6.098 -60.191 -3.424 1.00 0.00 ATOM 147 CD2 LEU 245 7.849 -61.434 -4.633 1.00 0.00 ATOM 148 O LEU 245 3.506 -60.765 -5.924 1.00 0.00 ATOM 149 C LEU 245 3.616 -61.961 -5.663 1.00 0.00 ATOM 150 N ARG 246 3.347 -62.927 -6.548 1.00 0.00 ATOM 151 CA ARG 246 2.925 -62.613 -7.924 1.00 0.00 ATOM 152 CB ARG 246 3.419 -63.688 -8.894 1.00 0.00 ATOM 153 CG ARG 246 4.932 -63.761 -9.022 1.00 0.00 ATOM 154 CD ARG 246 5.352 -64.862 -9.982 1.00 0.00 ATOM 155 NE ARG 246 6.805 -64.958 -10.102 1.00 0.00 ATOM 156 CZ ARG 246 7.437 -65.893 -10.804 1.00 0.00 ATOM 157 NH1 ARG 246 8.762 -65.902 -10.856 1.00 0.00 ATOM 158 NH2 ARG 246 6.742 -66.818 -11.452 1.00 0.00 ATOM 159 O ARG 246 0.910 -62.043 -9.117 1.00 0.00 ATOM 160 C ARG 246 1.395 -62.528 -8.089 1.00 0.00 ATOM 161 N GLU 247 0.646 -63.011 -7.089 1.00 0.00 ATOM 162 CA GLU 247 -0.806 -63.062 -7.182 1.00 0.00 ATOM 163 CB GLU 247 -1.407 -63.610 -5.886 1.00 0.00 ATOM 164 CG GLU 247 -2.919 -63.763 -5.919 1.00 0.00 ATOM 165 CD GLU 247 -3.473 -64.355 -4.638 1.00 0.00 ATOM 166 OE1 GLU 247 -2.673 -64.643 -3.723 1.00 0.00 ATOM 167 OE2 GLU 247 -4.706 -64.531 -4.549 1.00 0.00 ATOM 168 O GLU 247 -2.297 -61.538 -8.262 1.00 0.00 ATOM 169 C GLU 247 -1.412 -61.692 -7.425 1.00 0.00 ATOM 170 N LYS 248 -0.913 -60.698 -6.706 1.00 0.00 ATOM 171 CA LYS 248 -1.397 -59.334 -6.856 1.00 0.00 ATOM 172 CB LYS 248 -0.784 -58.427 -5.787 1.00 0.00 ATOM 173 CG LYS 248 -1.259 -58.726 -4.374 1.00 0.00 ATOM 174 CD LYS 248 -2.742 -58.433 -4.216 1.00 0.00 ATOM 175 CE LYS 248 -3.188 -58.602 -2.773 1.00 0.00 ATOM 176 NZ LYS 248 -3.157 -60.028 -2.346 1.00 0.00 ATOM 177 O LYS 248 -1.857 -58.183 -8.915 1.00 0.00 ATOM 178 C LYS 248 -1.020 -58.783 -8.234 1.00 0.00 ATOM 179 N GLN 249 -0.063 -59.407 -8.844 1.00 0.00 ATOM 180 CA GLN 249 0.451 -58.950 -10.130 1.00 0.00 ATOM 181 CB GLN 249 1.633 -59.815 -10.573 1.00 0.00 ATOM 182 CG GLN 249 2.880 -59.646 -9.720 1.00 0.00 ATOM 183 CD GLN 249 4.006 -60.567 -10.146 1.00 0.00 ATOM 184 OE1 GLN 249 3.854 -61.361 -11.074 1.00 0.00 ATOM 185 NE2 GLN 249 5.143 -60.462 -9.468 1.00 0.00 ATOM 186 O GLN 249 -0.575 -58.222 -12.178 1.00 0.00 ATOM 187 C GLN 249 -0.609 -59.019 -11.224 1.00 0.00 ATOM 188 N ALA 250 -1.552 -59.952 -11.105 1.00 0.00 ATOM 189 CA ALA 250 -2.637 -60.090 -12.071 1.00 0.00 ATOM 190 CB ALA 250 -2.316 -61.185 -13.076 1.00 0.00 ATOM 191 O ALA 250 -4.347 -61.605 -11.300 1.00 0.00 ATOM 192 C ALA 250 -3.902 -60.449 -11.292 1.00 0.00 ATOM 193 N PRO 251 -4.499 -59.459 -10.605 1.00 0.00 ATOM 194 CA PRO 251 -5.707 -59.582 -9.787 1.00 0.00 ATOM 195 CB PRO 251 -6.044 -58.139 -9.405 1.00 0.00 ATOM 196 CG PRO 251 -4.739 -57.420 -9.476 1.00 0.00 ATOM 197 CD PRO 251 -4.001 -58.008 -10.646 1.00 0.00 ATOM 198 O PRO 251 -7.772 -60.793 -9.874 1.00 0.00 ATOM 199 C PRO 251 -6.887 -60.224 -10.516 1.00 0.00 ATOM 200 N GLU 252 -6.880 -60.138 -11.818 1.00 0.00 ATOM 201 CA GLU 252 -7.994 -60.718 -12.577 1.00 0.00 ATOM 202 CB GLU 252 -8.022 -60.158 -14.000 1.00 0.00 ATOM 203 CG GLU 252 -9.186 -60.656 -14.841 1.00 0.00 ATOM 204 CD GLU 252 -9.209 -60.042 -16.227 1.00 0.00 ATOM 205 OE1 GLU 252 -8.313 -59.227 -16.530 1.00 0.00 ATOM 206 OE2 GLU 252 -10.123 -60.375 -17.009 1.00 0.00 ATOM 207 O GLU 252 -8.739 -62.935 -12.436 1.00 0.00 ATOM 208 C GLU 252 -7.813 -62.192 -12.629 1.00 0.00 ATOM 209 N LEU 253 -6.522 -62.528 -12.812 1.00 0.00 ATOM 210 CA LEU 253 -6.093 -63.920 -12.889 1.00 0.00 ATOM 211 CB LEU 253 -4.622 -64.005 -13.299 1.00 0.00 ATOM 212 CG LEU 253 -4.050 -65.412 -13.485 1.00 0.00 ATOM 213 CD1 LEU 253 -4.759 -66.135 -14.621 1.00 0.00 ATOM 214 CD2 LEU 253 -2.566 -65.351 -13.814 1.00 0.00 ATOM 215 O LEU 253 -6.717 -65.715 -11.402 1.00 0.00 ATOM 216 C LEU 253 -6.274 -64.568 -11.512 1.00 0.00 ATOM 217 N SER 254 -5.935 -63.827 -10.460 1.00 0.00 ATOM 218 CA SER 254 -6.080 -64.346 -9.103 1.00 0.00 ATOM 219 CB SER 254 -5.596 -63.316 -8.081 1.00 0.00 ATOM 220 OG SER 254 -6.405 -62.152 -8.108 1.00 0.00 ATOM 221 O SER 254 -7.829 -65.715 -8.203 1.00 0.00 ATOM 222 C SER 254 -7.534 -64.673 -8.793 1.00 0.00 ATOM 223 N LEU 255 -8.438 -63.784 -9.193 1.00 0.00 ATOM 224 CA LEU 255 -9.858 -63.988 -8.959 1.00 0.00 ATOM 225 CB LEU 255 -10.670 -62.834 -9.551 1.00 0.00 ATOM 226 CG LEU 255 -12.183 -62.888 -9.332 1.00 0.00 ATOM 227 CD1 LEU 255 -12.515 -62.807 -7.850 1.00 0.00 ATOM 228 CD2 LEU 255 -12.870 -61.728 -10.037 1.00 0.00 ATOM 229 O LEU 255 -11.119 -66.030 -9.014 1.00 0.00 ATOM 230 C LEU 255 -10.335 -65.287 -9.603 1.00 0.00 ATOM 231 N SER 256 -9.881 -65.589 -10.786 1.00 0.00 ATOM 232 CA SER 256 -10.260 -66.762 -11.538 1.00 0.00 ATOM 233 CB SER 256 -9.772 -66.652 -12.984 1.00 0.00 ATOM 234 OG SER 256 -10.373 -65.552 -13.643 1.00 0.00 ATOM 235 O SER 256 -9.709 -68.974 -11.936 1.00 0.00 ATOM 236 C SER 256 -9.741 -68.103 -11.061 1.00 0.00 ATOM 237 N SER 257 -9.338 -68.282 -9.840 1.00 0.00 ATOM 238 CA SER 257 -8.780 -69.579 -9.449 1.00 0.00 ATOM 239 CB SER 257 -7.260 -69.582 -9.620 1.00 0.00 ATOM 240 OG SER 257 -6.644 -68.675 -8.723 1.00 0.00 ATOM 241 O SER 257 -9.199 -68.897 -7.259 1.00 0.00 ATOM 242 C SER 257 -9.099 -69.863 -8.023 1.00 0.00 ATOM 243 N GLN 258 -9.161 -71.128 -7.619 1.00 0.00 ATOM 244 CA GLN 258 -9.467 -71.363 -6.211 1.00 0.00 ATOM 245 CB GLN 258 -9.714 -72.852 -5.958 1.00 0.00 ATOM 246 CG GLN 258 -10.959 -73.398 -6.636 1.00 0.00 ATOM 247 CD GLN 258 -11.134 -74.889 -6.418 1.00 0.00 ATOM 248 OE1 GLN 258 -10.307 -75.533 -5.774 1.00 0.00 ATOM 249 NE2 GLN 258 -12.215 -75.441 -6.957 1.00 0.00 ATOM 250 O GLN 258 -8.519 -70.813 -4.126 1.00 0.00 ATOM 251 C GLN 258 -8.297 -70.905 -5.328 1.00 0.00 ATOM 252 N ASP 259 -7.119 -70.700 -5.892 1.00 0.00 ATOM 253 CA ASP 259 -5.974 -70.347 -5.045 1.00 0.00 ATOM 254 CB ASP 259 -4.677 -70.381 -5.856 1.00 0.00 ATOM 255 CG ASP 259 -4.264 -71.789 -6.236 1.00 0.00 ATOM 256 OD1 ASP 259 -3.064 -72.002 -6.512 1.00 0.00 ATOM 257 OD2 ASP 259 -5.139 -72.679 -6.258 1.00 0.00 ATOM 258 O ASP 259 -5.385 -68.651 -3.477 1.00 0.00 ATOM 259 C ASP 259 -6.089 -68.949 -4.438 1.00 0.00 ATOM 260 N LEU 260 -6.900 -68.064 -5.001 1.00 0.00 ATOM 261 CA LEU 260 -7.116 -66.766 -4.363 1.00 0.00 ATOM 262 CB LEU 260 -8.143 -65.948 -5.148 1.00 0.00 ATOM 263 CG LEU 260 -8.455 -64.551 -4.606 1.00 0.00 ATOM 264 CD1 LEU 260 -7.216 -63.669 -4.650 1.00 0.00 ATOM 265 CD2 LEU 260 -9.543 -63.884 -5.432 1.00 0.00 ATOM 266 O LEU 260 -7.157 -66.354 -1.970 1.00 0.00 ATOM 267 C LEU 260 -7.631 -66.945 -2.942 1.00 0.00 ATOM 268 N GLU 261 -8.687 -67.762 -2.823 1.00 0.00 ATOM 269 CA GLU 261 -9.277 -68.010 -1.527 1.00 0.00 ATOM 270 CB GLU 261 -10.510 -68.906 -1.662 1.00 0.00 ATOM 271 CG GLU 261 -11.220 -69.186 -0.348 1.00 0.00 ATOM 272 CD GLU 261 -12.464 -70.034 -0.528 1.00 0.00 ATOM 273 OE1 GLU 261 -12.770 -70.404 -1.681 1.00 0.00 ATOM 274 OE2 GLU 261 -13.134 -70.328 0.485 1.00 0.00 ATOM 275 O GLU 261 -8.225 -68.290 0.589 1.00 0.00 ATOM 276 C GLU 261 -8.339 -68.696 -0.564 1.00 0.00 ATOM 277 N LEU 262 -7.622 -69.744 -0.825 1.00 0.00 ATOM 278 CA LEU 262 -6.761 -70.339 0.215 1.00 0.00 ATOM 279 CB LEU 262 -6.089 -71.610 -0.308 1.00 0.00 ATOM 280 CG LEU 262 -6.998 -72.823 -0.512 1.00 0.00 ATOM 281 CD1 LEU 262 -6.230 -73.969 -1.153 1.00 0.00 ATOM 282 CD2 LEU 262 -7.554 -73.308 0.818 1.00 0.00 ATOM 283 O LEU 262 -5.385 -69.170 1.767 1.00 0.00 ATOM 284 C LEU 262 -5.693 -69.289 0.583 1.00 0.00 ATOM 285 N VAL 263 -5.140 -68.597 -0.412 1.00 0.00 ATOM 286 CA VAL 263 -4.130 -67.568 -0.120 1.00 0.00 ATOM 287 CB VAL 263 -3.472 -67.041 -1.409 1.00 0.00 ATOM 288 CG1 VAL 263 -2.571 -65.856 -1.100 1.00 0.00 ATOM 289 CG2 VAL 263 -2.631 -68.128 -2.060 1.00 0.00 ATOM 290 O VAL 263 -4.221 -65.967 1.629 1.00 0.00 ATOM 291 C VAL 263 -4.759 -66.387 0.596 1.00 0.00 ATOM 292 N THR 264 -5.882 -65.898 0.062 1.00 0.00 ATOM 293 CA THR 264 -6.465 -64.684 0.676 1.00 0.00 ATOM 294 CB THR 264 -7.550 -64.062 -0.223 1.00 0.00 ATOM 295 CG2 THR 264 -6.964 -63.667 -1.570 1.00 0.00 ATOM 296 OG1 THR 264 -8.601 -65.013 -0.435 1.00 0.00 ATOM 297 O THR 264 -7.110 -63.954 2.831 1.00 0.00 ATOM 298 C THR 264 -7.123 -64.898 2.005 1.00 0.00 ATOM 299 N LYS 265 -7.609 -66.085 2.303 1.00 0.00 ATOM 300 CA LYS 265 -8.224 -66.280 3.624 1.00 0.00 ATOM 301 CB LYS 265 -9.354 -67.308 3.542 1.00 0.00 ATOM 302 CG LYS 265 -8.904 -68.692 3.106 1.00 0.00 ATOM 303 CD LYS 265 -10.077 -69.656 3.030 1.00 0.00 ATOM 304 CE LYS 265 -9.626 -71.042 2.598 1.00 0.00 ATOM 305 NZ LYS 265 -10.767 -71.994 2.508 1.00 0.00 ATOM 306 O LYS 265 -7.581 -66.882 5.856 1.00 0.00 ATOM 307 C LYS 265 -7.244 -66.778 4.667 1.00 0.00 ATOM 308 N GLU 266 -5.883 -66.683 4.159 1.00 0.00 ATOM 309 CA GLU 266 -4.708 -67.125 4.899 1.00 0.00 ATOM 310 CB GLU 266 -3.785 -67.947 3.997 1.00 0.00 ATOM 311 CG GLU 266 -2.618 -68.593 4.727 1.00 0.00 ATOM 312 CD GLU 266 -3.060 -69.688 5.678 1.00 0.00 ATOM 313 OE1 GLU 266 -4.244 -70.082 5.620 1.00 0.00 ATOM 314 OE2 GLU 266 -2.223 -70.152 6.480 1.00 0.00 ATOM 315 O GLU 266 -4.105 -64.785 4.695 1.00 0.00 ATOM 316 C GLU 266 -4.020 -65.835 5.367 1.00 0.00 ATOM 317 N ASP 267 -3.330 -65.874 6.493 1.00 0.00 ATOM 318 CA ASP 267 -2.668 -64.676 6.995 1.00 0.00 ATOM 319 CB ASP 267 -2.041 -64.944 8.364 1.00 0.00 ATOM 320 CG ASP 267 -3.077 -65.092 9.461 1.00 0.00 ATOM 321 OD1 ASP 267 -2.683 -65.183 10.643 1.00 0.00 ATOM 322 OD2 ASP 267 -4.284 -65.116 9.139 1.00 0.00 ATOM 323 O ASP 267 -0.937 -65.219 5.477 1.00 0.00 ATOM 324 C ASP 267 -1.579 -64.295 5.986 1.00 0.00 ATOM 325 N PRO 268 -1.266 -63.028 5.632 1.00 0.00 ATOM 326 CA PRO 268 -0.294 -62.699 4.606 1.00 0.00 ATOM 327 CB PRO 268 -0.382 -61.176 4.487 1.00 0.00 ATOM 328 CG PRO 268 -0.923 -60.729 5.804 1.00 0.00 ATOM 329 CD PRO 268 -1.996 -61.717 6.171 1.00 0.00 ATOM 330 O PRO 268 1.970 -63.203 4.092 1.00 0.00 ATOM 331 C PRO 268 1.117 -63.127 4.970 1.00 0.00 ATOM 332 N LYS 269 1.557 -63.435 6.675 1.00 0.00 ATOM 333 CA LYS 269 2.959 -63.546 7.063 1.00 0.00 ATOM 334 CB LYS 269 3.078 -64.031 8.509 1.00 0.00 ATOM 335 CG LYS 269 2.602 -63.023 9.543 1.00 0.00 ATOM 336 CD LYS 269 2.762 -63.563 10.955 1.00 0.00 ATOM 337 CE LYS 269 2.286 -62.556 11.988 1.00 0.00 ATOM 338 NZ LYS 269 2.423 -63.077 13.376 1.00 0.00 ATOM 339 O LYS 269 4.910 -64.538 6.051 1.00 0.00 ATOM 340 C LYS 269 3.683 -64.550 6.145 1.00 0.00 ATOM 341 N ALA 270 2.921 -65.401 5.469 1.00 0.00 ATOM 342 CA ALA 270 3.495 -66.396 4.550 1.00 0.00 ATOM 343 CB ALA 270 2.398 -67.272 3.965 1.00 0.00 ATOM 344 O ALA 270 5.192 -66.313 2.854 1.00 0.00 ATOM 345 C ALA 270 4.239 -65.736 3.381 1.00 0.00 ATOM 346 N LEU 271 3.806 -64.536 2.974 1.00 0.00 ATOM 347 CA LEU 271 4.466 -63.813 1.880 1.00 0.00 ATOM 348 CB LEU 271 3.481 -62.864 1.194 1.00 0.00 ATOM 349 CG LEU 271 2.310 -63.519 0.459 1.00 0.00 ATOM 350 CD1 LEU 271 1.346 -62.465 -0.064 1.00 0.00 ATOM 351 CD2 LEU 271 2.806 -64.338 -0.723 1.00 0.00 ATOM 352 O LEU 271 6.319 -62.297 1.588 1.00 0.00 ATOM 353 C LEU 271 5.650 -62.974 2.381 1.00 0.00 ATOM 354 N ALA 272 5.892 -63.029 3.702 1.00 0.00 ATOM 355 CA ALA 272 6.984 -62.298 4.329 1.00 0.00 ATOM 356 CB ALA 272 8.317 -62.721 3.732 1.00 0.00 ATOM 357 O ALA 272 7.856 -60.075 4.005 1.00 0.00 ATOM 358 C ALA 272 6.855 -60.781 4.141 1.00 0.00 ATOM 359 N VAL 273 5.615 -60.283 4.131 1.00 0.00 ATOM 360 CA VAL 273 5.394 -58.842 3.985 1.00 0.00 ATOM 361 CB VAL 273 3.893 -58.504 3.927 1.00 0.00 ATOM 362 CG1 VAL 273 3.683 -56.999 3.984 1.00 0.00 ATOM 363 CG2 VAL 273 3.278 -59.027 2.638 1.00 0.00 ATOM 364 O VAL 273 6.819 -57.225 5.060 1.00 0.00 ATOM 365 C VAL 273 6.033 -58.163 5.209 1.00 0.00 ATOM 366 N ALA 274 5.796 -58.616 6.419 1.00 0.00 ATOM 367 CA ALA 274 6.343 -58.064 7.647 1.00 0.00 ATOM 368 CB ALA 274 5.800 -58.815 8.854 1.00 0.00 ATOM 369 O ALA 274 8.532 -57.188 7.974 1.00 0.00 ATOM 370 C ALA 274 7.871 -58.184 7.637 1.00 0.00 ATOM 371 N LEU 275 8.411 -59.304 7.156 1.00 0.00 ATOM 372 CA LEU 275 9.869 -59.469 7.090 1.00 0.00 ATOM 373 CB LEU 275 10.228 -60.876 6.608 1.00 0.00 ATOM 374 CG LEU 275 9.902 -62.024 7.565 1.00 0.00 ATOM 375 CD1 LEU 275 10.190 -63.367 6.912 1.00 0.00 ATOM 376 CD2 LEU 275 10.738 -61.922 8.831 1.00 0.00 ATOM 377 O LEU 275 9.934 -58.160 5.077 1.00 0.00 ATOM 378 C LEU 275 10.500 -58.464 6.125 1.00 0.00 ATOM 379 N ASN 276 11.703 -57.986 6.455 1.00 0.00 ATOM 380 CA ASN 276 12.413 -57.007 5.617 1.00 0.00 ATOM 381 CB ASN 276 13.730 -56.593 6.276 1.00 0.00 ATOM 382 CG ASN 276 13.524 -55.673 7.463 1.00 0.00 ATOM 383 ND2 ASN 276 12.268 -55.478 7.848 1.00 0.00 ATOM 384 OD1 ASN 276 14.483 -55.146 8.027 1.00 0.00 ATOM 385 O ASN 276 12.713 -56.752 3.270 1.00 0.00 ATOM 386 C ASN 276 12.769 -57.508 4.230 1.00 0.00 ATOM 387 N TRP 277 13.179 -58.860 4.246 1.00 0.00 ATOM 388 CA TRP 277 13.435 -59.473 2.950 1.00 0.00 ATOM 389 CB TRP 277 14.150 -60.814 3.124 1.00 0.00 ATOM 390 CG TRP 277 15.567 -60.683 3.592 1.00 0.00 ATOM 391 CD1 TRP 277 16.026 -60.839 4.868 1.00 0.00 ATOM 392 CD2 TRP 277 16.711 -60.367 2.789 1.00 0.00 ATOM 393 CE2 TRP 277 17.829 -60.349 3.646 1.00 0.00 ATOM 394 CE3 TRP 277 16.899 -60.097 1.430 1.00 0.00 ATOM 395 NE1 TRP 277 17.385 -60.641 4.911 1.00 0.00 ATOM 396 CZ2 TRP 277 19.116 -60.073 3.188 1.00 0.00 ATOM 397 CZ3 TRP 277 18.177 -59.824 0.981 1.00 0.00 ATOM 398 CH2 TRP 277 19.270 -59.813 1.853 1.00 0.00 ATOM 399 O TRP 277 12.072 -59.636 0.994 1.00 0.00 ATOM 400 C TRP 277 12.126 -59.714 2.214 1.00 0.00 ATOM 401 N ASP 278 11.135 -60.017 3.085 1.00 0.00 ATOM 402 CA ASP 278 9.882 -60.221 2.353 1.00 0.00 ATOM 403 CB ASP 278 8.989 -61.223 3.088 1.00 0.00 ATOM 404 CG ASP 278 9.564 -62.626 3.087 1.00 0.00 ATOM 405 OD1 ASP 278 9.632 -63.239 2.001 1.00 0.00 ATOM 406 OD2 ASP 278 9.946 -63.112 4.172 1.00 0.00 ATOM 407 O ASP 278 7.960 -58.967 1.741 1.00 0.00 ATOM 408 C ASP 278 9.092 -58.930 2.197 1.00 0.00 ATOM 409 N ILE 279 9.668 -57.798 2.568 1.00 0.00 ATOM 410 CA ILE 279 8.930 -56.554 2.353 1.00 0.00 ATOM 411 CB ILE 279 9.699 -55.339 2.905 1.00 0.00 ATOM 412 CG1 ILE 279 8.765 -54.135 3.043 1.00 0.00 ATOM 413 CG2 ILE 279 10.839 -54.961 1.972 1.00 0.00 ATOM 414 CD1 ILE 279 9.350 -52.998 3.851 1.00 0.00 ATOM 415 O ILE 279 7.832 -55.536 0.427 1.00 0.00 ATOM 416 C ILE 279 8.703 -56.340 0.833 1.00 0.00 ATOM 417 N LYS 280 9.489 -57.026 -0.002 1.00 0.00 ATOM 418 CA LYS 280 9.380 -56.895 -1.449 1.00 0.00 ATOM 419 CB LYS 280 10.224 -57.962 -2.149 1.00 0.00 ATOM 420 CG LYS 280 10.242 -57.844 -3.664 1.00 0.00 ATOM 421 CD LYS 280 11.141 -58.898 -4.289 1.00 0.00 ATOM 422 CE LYS 280 11.148 -58.789 -5.805 1.00 0.00 ATOM 423 NZ LYS 280 12.035 -59.809 -6.431 1.00 0.00 ATOM 424 O LYS 280 7.444 -56.129 -2.608 1.00 0.00 ATOM 425 C LYS 280 7.964 -57.046 -1.977 1.00 0.00 ATOM 426 N LYS 281 7.303 -58.183 -1.719 1.00 0.00 ATOM 427 CA LYS 281 5.933 -58.404 -2.192 1.00 0.00 ATOM 428 CB LYS 281 5.372 -59.706 -1.618 1.00 0.00 ATOM 429 CG LYS 281 3.972 -60.047 -2.105 1.00 0.00 ATOM 430 CD LYS 281 3.514 -61.393 -1.569 1.00 0.00 ATOM 431 CE LYS 281 2.145 -61.768 -2.114 1.00 0.00 ATOM 432 NZ LYS 281 1.077 -60.867 -1.599 1.00 0.00 ATOM 433 O LYS 281 4.208 -56.783 -2.627 1.00 0.00 ATOM 434 C LYS 281 4.959 -57.284 -1.792 1.00 0.00 ATOM 435 N THR 282 4.996 -56.892 -0.511 1.00 0.00 ATOM 436 CA THR 282 4.109 -55.842 -0.007 1.00 0.00 ATOM 437 CB THR 282 4.325 -55.594 1.497 1.00 0.00 ATOM 438 CG2 THR 282 3.423 -54.472 1.988 1.00 0.00 ATOM 439 OG1 THR 282 4.021 -56.788 2.230 1.00 0.00 ATOM 440 O THR 282 3.432 -53.828 -1.204 1.00 0.00 ATOM 441 C THR 282 4.367 -54.528 -0.742 1.00 0.00 ATOM 442 N GLU 283 5.644 -54.142 -0.857 1.00 0.00 ATOM 443 CA GLU 283 5.999 -52.910 -1.586 1.00 0.00 ATOM 444 CB GLU 283 7.498 -52.629 -1.465 1.00 0.00 ATOM 445 CG GLU 283 7.944 -52.235 -0.066 1.00 0.00 ATOM 446 CD GLU 283 9.441 -52.016 0.028 1.00 0.00 ATOM 447 OE1 GLU 283 10.137 -52.222 -0.989 1.00 0.00 ATOM 448 OE2 GLU 283 9.919 -51.638 1.118 1.00 0.00 ATOM 449 O GLU 283 5.194 -52.115 -3.652 1.00 0.00 ATOM 450 C GLU 283 5.638 -53.091 -3.045 1.00 0.00 ATOM 451 N THR 284 5.794 -54.306 -3.641 1.00 0.00 ATOM 452 CA THR 284 5.491 -54.568 -5.066 1.00 0.00 ATOM 453 CB THR 284 5.962 -55.970 -5.495 1.00 0.00 ATOM 454 CG2 THR 284 5.607 -56.229 -6.951 1.00 0.00 ATOM 455 OG1 THR 284 7.383 -56.068 -5.339 1.00 0.00 ATOM 456 O THR 284 3.567 -53.886 -6.321 1.00 0.00 ATOM 457 C THR 284 4.000 -54.481 -5.314 1.00 0.00 ATOM 458 N VAL 285 3.277 -55.058 -4.352 1.00 0.00 ATOM 459 CA VAL 285 1.819 -55.008 -4.350 1.00 0.00 ATOM 460 CB VAL 285 1.233 -55.689 -3.099 1.00 0.00 ATOM 461 CG1 VAL 285 -0.266 -55.445 -3.014 1.00 0.00 ATOM 462 CG2 VAL 285 1.474 -57.190 -3.147 1.00 0.00 ATOM 463 O VAL 285 0.562 -53.144 -5.228 1.00 0.00 ATOM 464 C VAL 285 1.365 -53.549 -4.368 1.00 0.00 ATOM 465 N GLN 286 1.904 -52.758 -3.432 1.00 0.00 ATOM 466 CA GLN 286 1.553 -51.345 -3.341 1.00 0.00 ATOM 467 CB GLN 286 2.311 -50.678 -2.192 1.00 0.00 ATOM 468 CG GLN 286 1.866 -51.129 -0.810 1.00 0.00 ATOM 469 CD GLN 286 2.683 -50.499 0.300 1.00 0.00 ATOM 470 OE1 GLN 286 3.611 -49.732 0.042 1.00 0.00 ATOM 471 NE2 GLN 286 2.341 -50.821 1.542 1.00 0.00 ATOM 472 O GLN 286 1.112 -49.793 -5.105 1.00 0.00 ATOM 473 C GLN 286 1.898 -50.602 -4.623 1.00 0.00 ATOM 474 N GLU 287 3.065 -50.888 -5.184 1.00 0.00 ATOM 475 CA GLU 287 3.483 -50.243 -6.421 1.00 0.00 ATOM 476 CB GLU 287 4.896 -50.686 -6.805 1.00 0.00 ATOM 477 CG GLU 287 5.978 -50.206 -5.852 1.00 0.00 ATOM 478 CD GLU 287 7.356 -50.708 -6.235 1.00 0.00 ATOM 479 OE1 GLU 287 7.458 -51.474 -7.216 1.00 0.00 ATOM 480 OE2 GLU 287 8.335 -50.336 -5.553 1.00 0.00 ATOM 481 O GLU 287 2.112 -49.739 -8.326 1.00 0.00 ATOM 482 C GLU 287 2.537 -50.607 -7.563 1.00 0.00 ATOM 483 N ALA 288 0.537 -52.368 -7.608 1.00 0.00 ATOM 484 CA ALA 288 -0.326 -53.069 -8.559 1.00 0.00 ATOM 485 CB ALA 288 0.509 -53.906 -9.516 1.00 0.00 ATOM 486 O ALA 288 -2.521 -53.971 -8.176 1.00 0.00 ATOM 487 C ALA 288 -1.318 -54.013 -7.890 1.00 0.00 ATOM 488 N CYS 289 -0.797 -54.864 -7.002 1.00 0.00 ATOM 489 CA CYS 289 -1.670 -55.819 -6.316 1.00 0.00 ATOM 490 CB CYS 289 -0.842 -56.802 -5.486 1.00 0.00 ATOM 491 SG CYS 289 0.151 -57.954 -6.464 1.00 0.00 ATOM 492 O CYS 289 -3.812 -55.465 -5.300 1.00 0.00 ATOM 493 C CYS 289 -2.640 -55.104 -5.375 1.00 0.00 ATOM 494 N GLU 290 -2.142 -54.093 -4.661 1.00 0.00 ATOM 495 CA GLU 290 -2.992 -53.362 -3.718 1.00 0.00 ATOM 496 CB GLU 290 -2.154 -52.393 -2.881 1.00 0.00 ATOM 497 CG GLU 290 -2.944 -51.647 -1.819 1.00 0.00 ATOM 498 CD GLU 290 -2.073 -50.736 -0.977 1.00 0.00 ATOM 499 OE1 GLU 290 -0.850 -50.686 -1.227 1.00 0.00 ATOM 500 OE2 GLU 290 -2.613 -50.071 -0.068 1.00 0.00 ATOM 501 O GLU 290 -5.200 -52.504 -3.928 1.00 0.00 ATOM 502 C GLU 290 -4.062 -52.551 -4.434 1.00 0.00 ATOM 503 N ARG 291 -3.764 -51.926 -5.566 1.00 0.00 ATOM 504 CA ARG 291 -4.783 -51.184 -6.303 1.00 0.00 ATOM 505 CB ARG 291 -4.149 -50.403 -7.456 1.00 0.00 ATOM 506 CG ARG 291 -5.137 -49.581 -8.267 1.00 0.00 ATOM 507 CD ARG 291 -4.431 -48.772 -9.343 1.00 0.00 ATOM 508 NE ARG 291 -5.368 -47.985 -10.140 1.00 0.00 ATOM 509 CZ ARG 291 -5.019 -47.239 -11.182 1.00 0.00 ATOM 510 NH1 ARG 291 -5.941 -46.556 -11.848 1.00 0.00 ATOM 511 NH2 ARG 291 -3.749 -47.176 -11.557 1.00 0.00 ATOM 512 O ARG 291 -7.041 -51.931 -6.747 1.00 0.00 ATOM 513 C ARG 291 -5.821 -52.117 -6.882 1.00 0.00 ATOM 514 N GLU 292 -5.331 -53.192 -7.508 1.00 0.00 ATOM 515 CA GLU 292 -6.172 -54.192 -8.166 1.00 0.00 ATOM 516 CB GLU 292 -5.314 -55.159 -8.984 1.00 0.00 ATOM 517 CG GLU 292 -4.663 -54.531 -10.205 1.00 0.00 ATOM 518 CD GLU 292 -5.677 -53.994 -11.195 1.00 0.00 ATOM 519 OE1 GLU 292 -6.596 -54.750 -11.573 1.00 0.00 ATOM 520 OE2 GLU 292 -5.553 -52.817 -11.593 1.00 0.00 ATOM 521 O GLU 292 -8.181 -55.264 -7.393 1.00 0.00 ATOM 522 C GLU 292 -6.978 -55.028 -7.182 1.00 0.00 ATOM 523 N LEU 293 -6.367 -55.426 -6.057 1.00 0.00 ATOM 524 CA LEU 293 -7.093 -56.174 -5.033 1.00 0.00 ATOM 525 CB LEU 293 -6.166 -56.526 -3.868 1.00 0.00 ATOM 526 CG LEU 293 -6.700 -57.546 -2.861 1.00 0.00 ATOM 527 CD1 LEU 293 -6.928 -58.893 -3.529 1.00 0.00 ATOM 528 CD2 LEU 293 -5.714 -57.742 -1.719 1.00 0.00 ATOM 529 O LEU 293 -9.378 -55.848 -4.306 1.00 0.00 ATOM 530 C LEU 293 -8.260 -55.347 -4.488 1.00 0.00 ATOM 531 N ALA 294 -8.043 -53.973 -4.734 1.00 0.00 ATOM 532 CA ALA 294 -9.185 -53.175 -4.298 1.00 0.00 ATOM 533 CB ALA 294 -8.729 -51.793 -3.857 1.00 0.00 ATOM 534 O ALA 294 -11.406 -53.125 -5.215 1.00 0.00 ATOM 535 C ALA 294 -10.200 -53.007 -5.437 1.00 0.00 ATOM 536 N LEU 295 -9.678 -52.716 -6.624 1.00 0.00 ATOM 537 CA LEU 295 -10.562 -52.560 -7.751 1.00 0.00 ATOM 538 CB LEU 295 -9.768 -52.205 -9.010 1.00 0.00 ATOM 539 CG LEU 295 -9.161 -50.802 -9.055 1.00 0.00 ATOM 540 CD1 LEU 295 -8.297 -50.629 -10.296 1.00 0.00 ATOM 541 CD2 LEU 295 -10.253 -49.744 -9.086 1.00 0.00 ATOM 542 O LEU 295 -12.528 -53.781 -8.211 1.00 0.00 ATOM 543 C LEU 295 -11.326 -53.876 -7.999 1.00 0.00 ATOM 544 N ARG 296 -10.672 -55.090 -7.923 1.00 0.00 ATOM 545 CA ARG 296 -11.384 -56.350 -8.115 1.00 0.00 ATOM 546 CB ARG 296 -10.414 -57.531 -8.036 1.00 0.00 ATOM 547 CG ARG 296 -9.481 -57.648 -9.230 1.00 0.00 ATOM 548 CD ARG 296 -10.241 -58.027 -10.490 1.00 0.00 ATOM 549 NE ARG 296 -9.348 -58.228 -11.629 1.00 0.00 ATOM 550 CZ ARG 296 -8.957 -57.261 -12.452 1.00 0.00 ATOM 551 NH1 ARG 296 -8.142 -57.538 -13.461 1.00 0.00 ATOM 552 NH2 ARG 296 -9.381 -56.019 -12.264 1.00 0.00 ATOM 553 O ARG 296 -13.552 -56.971 -7.342 1.00 0.00 ATOM 554 C ARG 296 -12.439 -56.573 -7.088 1.00 0.00 ATOM 555 N LEU 297 -12.065 -56.327 -5.875 1.00 0.00 ATOM 556 CA LEU 297 -12.998 -56.483 -4.747 1.00 0.00 ATOM 557 CB LEU 297 -12.320 -56.092 -3.433 1.00 0.00 ATOM 558 CG LEU 297 -13.168 -56.225 -2.166 1.00 0.00 ATOM 559 CD1 LEU 297 -13.553 -57.677 -1.927 1.00 0.00 ATOM 560 CD2 LEU 297 -12.400 -55.730 -0.950 1.00 0.00 ATOM 561 O LEU 297 -15.372 -56.037 -4.825 1.00 0.00 ATOM 562 C LEU 297 -14.211 -55.584 -4.969 1.00 0.00 ATOM 563 N GLN 298 -13.931 -54.325 -5.288 1.00 0.00 ATOM 564 CA GLN 298 -15.043 -53.365 -5.420 1.00 0.00 ATOM 565 CB GLN 298 -14.511 -51.975 -5.775 1.00 0.00 ATOM 566 CG GLN 298 -15.589 -50.909 -5.891 1.00 0.00 ATOM 567 CD GLN 298 -15.020 -49.534 -6.178 1.00 0.00 ATOM 568 OE1 GLN 298 -13.807 -49.368 -6.308 1.00 0.00 ATOM 569 NE2 GLN 298 -15.897 -48.541 -6.278 1.00 0.00 ATOM 570 O GLN 298 -17.212 -53.917 -6.331 1.00 0.00 ATOM 571 C GLN 298 -15.991 -53.818 -6.516 1.00 0.00 ATOM 572 N GLN 299 -15.461 -54.129 -7.695 1.00 0.00 ATOM 573 CA GLN 299 -16.337 -54.538 -8.795 1.00 0.00 ATOM 574 CB GLN 299 -15.512 -54.883 -10.037 1.00 0.00 ATOM 575 CG GLN 299 -14.843 -53.685 -10.690 1.00 0.00 ATOM 576 CD GLN 299 -13.981 -54.073 -11.875 1.00 0.00 ATOM 577 OE1 GLN 299 -13.858 -55.253 -12.205 1.00 0.00 ATOM 578 NE2 GLN 299 -13.381 -53.080 -12.520 1.00 0.00 ATOM 579 O GLN 299 -18.343 -55.850 -8.766 1.00 0.00 ATOM 580 C GLN 299 -17.160 -55.759 -8.429 1.00 0.00 ATOM 581 N THR 300 -16.573 -56.719 -7.744 1.00 0.00 ATOM 582 CA THR 300 -17.294 -57.952 -7.444 1.00 0.00 ATOM 583 CB THR 300 -16.749 -59.138 -8.262 1.00 0.00 ATOM 584 CG2 THR 300 -16.788 -58.822 -9.749 1.00 0.00 ATOM 585 OG1 THR 300 -15.394 -59.403 -7.879 1.00 0.00 ATOM 586 O THR 300 -16.206 -57.563 -5.336 1.00 0.00 ATOM 587 C THR 300 -17.084 -58.190 -5.942 1.00 0.00 ATOM 588 N GLN 301 -17.847 -59.112 -5.341 1.00 0.00 ATOM 589 CA GLN 301 -17.658 -59.379 -3.915 1.00 0.00 ATOM 590 CB GLN 301 -18.814 -60.220 -3.370 1.00 0.00 ATOM 591 CG GLN 301 -20.143 -59.485 -3.311 1.00 0.00 ATOM 592 CD GLN 301 -21.277 -60.369 -2.830 1.00 0.00 ATOM 593 OE1 GLN 301 -21.081 -61.553 -2.557 1.00 0.00 ATOM 594 NE2 GLN 301 -22.469 -59.794 -2.724 1.00 0.00 ATOM 595 O GLN 301 -15.929 -60.168 -2.500 1.00 0.00 ATOM 596 C GLN 301 -16.366 -60.137 -3.655 1.00 0.00 ATOM 597 N SER 302 -16.143 -61.378 -4.431 1.00 0.00 ATOM 598 CA SER 302 -15.510 -62.667 -4.275 1.00 0.00 ATOM 599 CB SER 302 -15.337 -63.347 -5.635 1.00 0.00 ATOM 600 OG SER 302 -16.591 -63.596 -6.244 1.00 0.00 ATOM 601 O SER 302 -13.756 -63.390 -2.798 1.00 0.00 ATOM 602 C SER 302 -14.122 -62.555 -3.633 1.00 0.00 ATOM 603 N LEU 303 -13.336 -61.566 -4.029 1.00 0.00 ATOM 604 CA LEU 303 -12.010 -61.324 -3.436 1.00 0.00 ATOM 605 CB LEU 303 -11.336 -60.123 -4.103 1.00 0.00 ATOM 606 CG LEU 303 -9.936 -59.766 -3.600 1.00 0.00 ATOM 607 CD1 LEU 303 -8.959 -60.898 -3.879 1.00 0.00 ATOM 608 CD2 LEU 303 -9.420 -58.513 -4.290 1.00 0.00 ATOM 609 O LEU 303 -11.381 -61.580 -1.149 1.00 0.00 ATOM 610 C LEU 303 -12.131 -61.037 -1.940 1.00 0.00 ATOM 611 N HIS 304 -13.078 -60.169 -1.564 1.00 0.00 ATOM 612 CA HIS 304 -13.342 -59.893 -0.155 1.00 0.00 ATOM 613 CB HIS 304 -14.305 -58.713 -0.011 1.00 0.00 ATOM 614 CG HIS 304 -14.550 -58.302 1.407 1.00 0.00 ATOM 615 CD2 HIS 304 -15.586 -58.557 2.398 1.00 0.00 ATOM 616 ND1 HIS 304 -13.688 -57.485 2.105 1.00 0.00 ATOM 617 CE1 HIS 304 -14.172 -57.294 3.345 1.00 0.00 ATOM 618 NE2 HIS 304 -15.310 -57.935 3.528 1.00 0.00 ATOM 619 O HIS 304 -13.655 -61.511 1.604 1.00 0.00 ATOM 620 C HIS 304 -13.967 -61.146 0.471 1.00 0.00 ATOM 621 N SER 305 -14.824 -61.814 -0.298 1.00 0.00 ATOM 622 CA SER 305 -15.476 -63.050 0.152 1.00 0.00 ATOM 623 CB SER 305 -16.483 -63.535 -0.892 1.00 0.00 ATOM 624 OG SER 305 -17.560 -62.624 -1.024 1.00 0.00 ATOM 625 O SER 305 -14.407 -64.812 1.390 1.00 0.00 ATOM 626 C SER 305 -14.416 -64.129 0.363 1.00 0.00 ATOM 627 N LEU 306 -13.499 -64.239 -0.602 1.00 0.00 ATOM 628 CA LEU 306 -12.413 -65.215 -0.542 1.00 0.00 ATOM 629 CB LEU 306 -11.661 -65.262 -1.874 1.00 0.00 ATOM 630 CG LEU 306 -12.425 -65.848 -3.063 1.00 0.00 ATOM 631 CD1 LEU 306 -11.611 -65.718 -4.341 1.00 0.00 ATOM 632 CD2 LEU 306 -12.722 -67.323 -2.837 1.00 0.00 ATOM 633 O LEU 306 -10.599 -65.762 0.922 1.00 0.00 ATOM 634 C LEU 306 -11.388 -64.897 0.543 1.00 0.00 ATOM 635 N ARG 307 -11.428 -63.671 1.056 1.00 0.00 ATOM 636 CA ARG 307 -10.520 -63.184 2.069 1.00 0.00 ATOM 637 CB ARG 307 -10.390 -61.662 1.985 1.00 0.00 ATOM 638 CG ARG 307 -9.170 -61.103 2.698 1.00 0.00 ATOM 639 CD ARG 307 -9.060 -59.599 2.509 1.00 0.00 ATOM 640 NE ARG 307 -7.898 -59.044 3.199 1.00 0.00 ATOM 641 CZ ARG 307 -7.605 -57.748 3.245 1.00 0.00 ATOM 642 NH1 ARG 307 -6.527 -57.335 3.897 1.00 0.00 ATOM 643 NH2 ARG 307 -8.391 -56.869 2.639 1.00 0.00 ATOM 644 O ARG 307 -12.176 -63.567 3.694 1.00 0.00 ATOM 645 C ARG 307 -10.951 -63.504 3.482 1.00 0.00 TER END ################################ # # # END # # # ################################