From mailer@bialko.llnl.gov Fri Jul 26 15:34:28 2002 Date: Fri, 26 Jul 2002 15:34:22 -0700 (PDT) From: Automatic Reply To: karplus@bray.cse.ucsc.edu Subject: SAM-T02-human T0151 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 15:07:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_192201_15921 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151SS001_1 Current information on models submitted in prediction T0151SS001 MODEL_INDEX PIN CODE DATE E-mail T0151SS001_1 PIN_192201_15921 4069-6308-1312 07/26/02 15:07:08 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151SS001_1 PIN_192201_15921 4069-6308-1312 07/26/02 15:07:08 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 T0151 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: 164 # Number of residues with nonzero confidence: 164 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0151 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0151.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0151.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0151.t2k.str.rdb (weight 1.53983) METHOD T0151.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 T0151.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ METHOD Comments from T0151.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ METHOD Comments from T0151.t2k.str.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ METHOD Comments from T0151.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0151 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 T0151.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 147 METHOD METHOD ============================================ MODEL 1 M C 0.81 A C 0.73 G C 0.70 D C 0.69 T C 0.64 T E 0.72 I E 0.91 T E 0.92 I E 0.92 V E 0.81 G E 0.70 N E 0.58 L C 0.54 T C 0.68 A C 0.78 D C 0.86 P C 0.66 E C 0.51 L E 0.57 R E 0.67 F E 0.76 T C 0.70 P C 0.84 S C 0.93 G C 0.93 A C 0.73 A E 0.77 V E 0.89 A E 0.92 N E 0.92 F E 0.92 T E 0.92 V E 0.90 A E 0.80 S E 0.66 T C 0.56 P C 0.65 R C 0.60 I C 0.56 Y C 0.58 D C 0.70 R C 0.79 Q C 0.85 T C 0.85 G C 0.79 E C 0.51 W E 0.51 K E 0.46 D C 0.45 G C 0.58 E C 0.59 A C 0.49 L E 0.60 F E 0.76 L E 0.82 R E 0.84 C E 0.85 N E 0.86 I E 0.73 W C 0.51 R C 0.57 E H 0.60 A H 0.86 A H 0.92 E H 0.94 N H 0.93 V H 0.93 A H 0.93 E H 0.90 S H 0.82 L H 0.62 T C 0.58 R C 0.79 G C 0.91 A C 0.84 R E 0.64 V E 0.87 I E 0.91 V E 0.91 S E 0.83 G E 0.83 R E 0.86 L E 0.85 K E 0.82 Q E 0.81 R E 0.62 S E 0.70 F E 0.74 E E 0.77 T C 0.59 R C 0.81 E C 0.91 G C 0.88 E C 0.53 K E 0.87 R E 0.85 T E 0.87 V E 0.86 I E 0.89 E E 0.92 V E 0.92 E E 0.91 V E 0.87 D E 0.74 E E 0.73 I E 0.68 G E 0.67 P E 0.54 S C 0.49 L C 0.58 R C 0.62 Y C 0.61 A C 0.64 T C 0.65 A C 0.64 K C 0.67 V C 0.69 N C 0.71 K C 0.71 A C 0.69 S C 0.71 R C 0.69 S C 0.70 G C 0.70 G C 0.70 F C 0.68 G C 0.71 S C 0.72 G C 0.71 S C 0.72 R C 0.71 P C 0.71 A C 0.72 P C 0.70 A C 0.68 Q C 0.69 T C 0.70 S C 0.67 S C 0.66 A C 0.67 S C 0.69 G C 0.71 D C 0.73 D C 0.75 P C 0.74 W C 0.73 G C 0.70 S C 0.72 A C 0.73 P C 0.77 A C 0.76 S C 0.79 G C 0.80 S C 0.74 F C 0.72 G C 0.73 G C 0.71 G C 0.72 D C 0.68 D C 0.74 E C 0.78 P C 0.83 P C 0.85 F C 0.91 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 2 02:36:08 2002 Date: Fri, 2 Aug 2002 02:36:02 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: Oversize-Leantagged X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 2 02:09:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_274344_18263 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0151TS001_1 Current information on models submitted in prediction T0151TS001 MODEL_INDEX PIN CODE DATE E-mail T0151TS001_1 PIN_274344_18263 4069-6308-1312 08/02/02 02:09:06 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 T0151 MODEL_INDEX PIN CODE DATE E-mail T0151TS001_1 PIN_274344_18263 4069-6308-1312 08/02/02 02:09:06 karplus@cse.ucsc.edu T0151SS001_1 PIN_192201_15921 4069-6308-1312 07/26/02 15:07:08 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 T0151 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: T0151 # Total number of residues in target: 164 # Total number of residues in model: 115 # Total number of atoms in model: 891 # Number of atoms with 1.0 occupancy: 891 # Number of fragments in model: 1 # Number of METHOD records: 98 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0151 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 MET 1 -7.435 268.526-389.659 1.00 0.00 ATOM 2 CA MET 1 -7.161 268.753-388.256 1.00 0.00 ATOM 3 CB MET 1 -7.916 267.784-387.324 1.00 0.00 ATOM 4 CG MET 1 -9.193 268.404-386.796 1.00 0.00 ATOM 5 SD MET 1 -10.133 269.172-388.140 1.00 0.00 ATOM 6 CE MET 1 -10.441 270.806-387.444 1.00 0.00 ATOM 7 O MET 1 -5.009 267.770-388.560 1.00 0.00 ATOM 8 C MET 1 -5.693 268.575-387.938 1.00 0.00 ATOM 9 N ALA 2 -5.294 269.340-386.912 1.00 0.00 ATOM 10 CA ALA 2 -3.912 269.290-386.424 1.00 0.00 ATOM 11 CB ALA 2 -3.692 270.386-385.362 1.00 0.00 ATOM 12 O ALA 2 -2.558 267.265-386.376 1.00 0.00 ATOM 13 C ALA 2 -3.529 267.883-385.971 1.00 0.00 ATOM 14 N GLY 3 -4.460 267.358-385.153 1.00 0.00 ATOM 15 CA GLY 3 -4.263 266.034-384.625 1.00 0.00 ATOM 16 O GLY 3 -5.398 263.970-384.378 1.00 0.00 ATOM 17 C GLY 3 -5.304 265.014-384.992 1.00 0.00 ATOM 18 N ASP 4 -6.131 265.372-385.979 1.00 0.00 ATOM 19 CA ASP 4 -7.263 264.519-386.371 1.00 0.00 ATOM 20 CB ASP 4 -8.354 265.339-387.045 1.00 0.00 ATOM 21 CG ASP 4 -8.970 266.350-386.102 1.00 0.00 ATOM 22 OD1 ASP 4 -8.997 266.095-384.865 1.00 0.00 ATOM 23 OD2 ASP 4 -9.388 267.410-386.611 1.00 0.00 ATOM 24 O ASP 4 -7.682 262.392-387.445 1.00 0.00 ATOM 25 C ASP 4 -6.888 263.321-387.238 1.00 0.00 ATOM 26 N THR 5 -5.695 263.398-387.800 1.00 0.00 ATOM 27 CA THR 5 -5.185 262.324-388.634 1.00 0.00 ATOM 28 CB THR 5 -5.422 262.607-390.129 1.00 0.00 ATOM 29 CG2 THR 5 -4.930 261.446-390.979 1.00 0.00 ATOM 30 OG1 THR 5 -6.823 262.793-390.367 1.00 0.00 ATOM 31 O THR 5 -3.040 263.222-388.092 1.00 0.00 ATOM 32 C THR 5 -3.687 262.217-388.364 1.00 0.00 ATOM 33 N THR 6 -3.161 261.001-388.429 1.00 0.00 ATOM 34 CA THR 6 -1.741 260.750-388.237 1.00 0.00 ATOM 35 CB THR 6 -1.482 259.926-386.960 1.00 0.00 ATOM 36 CG2 THR 6 0.007 259.681-386.776 1.00 0.00 ATOM 37 OG1 THR 6 -1.979 260.641-385.821 1.00 0.00 ATOM 38 O THR 6 -1.934 259.003-389.850 1.00 0.00 ATOM 39 C THR 6 -1.296 259.979-389.462 1.00 0.00 ATOM 40 N ILE 7 -0.227 260.445-390.095 1.00 0.00 ATOM 41 CA ILE 7 0.291 259.835-391.302 1.00 0.00 ATOM 42 CB ILE 7 0.385 260.853-392.455 1.00 0.00 ATOM 43 CG1 ILE 7 -1.001 261.412-392.786 1.00 0.00 ATOM 44 CG2 ILE 7 0.951 260.194-393.703 1.00 0.00 ATOM 45 CD1 ILE 7 -0.974 262.592-393.730 1.00 0.00 ATOM 46 O ILE 7 2.517 260.010-390.425 1.00 0.00 ATOM 47 C ILE 7 1.683 259.299-390.987 1.00 0.00 ATOM 48 N THR 8 1.944 258.050-391.331 1.00 0.00 ATOM 49 CA THR 8 3.197 257.371-391.087 1.00 0.00 ATOM 50 CB THR 8 2.981 256.042-390.338 1.00 0.00 ATOM 51 CG2 THR 8 4.310 255.331-390.122 1.00 0.00 ATOM 52 OG1 THR 8 2.380 256.298-389.063 1.00 0.00 ATOM 53 O THR 8 3.024 256.555-393.299 1.00 0.00 ATOM 54 C THR 8 3.706 257.168-392.484 1.00 0.00 ATOM 55 N ILE 9 4.904 257.646-392.741 1.00 0.00 ATOM 56 CA ILE 9 5.482 257.626-394.089 1.00 0.00 ATOM 57 CB ILE 9 5.445 259.055-394.740 1.00 0.00 ATOM 58 CG1 ILE 9 4.005 259.543-394.916 1.00 0.00 ATOM 59 CG2 ILE 9 6.175 259.074-396.090 1.00 0.00 ATOM 60 CD1 ILE 9 3.920 261.007-395.357 1.00 0.00 ATOM 61 O ILE 9 7.688 257.647-393.163 1.00 0.00 ATOM 62 C ILE 9 6.943 257.194-394.026 1.00 0.00 ATOM 63 N VAL 10 7.350 256.317-394.936 1.00 0.00 ATOM 64 CA VAL 10 8.736 255.877-395.012 1.00 0.00 ATOM 65 CB VAL 10 8.909 254.372-394.651 1.00 0.00 ATOM 66 CG1 VAL 10 10.357 253.943-394.895 1.00 0.00 ATOM 67 CG2 VAL 10 8.539 254.138-393.190 1.00 0.00 ATOM 68 O VAL 10 8.495 255.695-397.387 1.00 0.00 ATOM 69 C VAL 10 9.193 256.088-396.456 1.00 0.00 ATOM 70 N GLY 11 10.330 256.768-396.635 1.00 0.00 ATOM 71 CA GLY 11 10.874 256.994-397.956 1.00 0.00 ATOM 72 O GLY 11 12.765 257.788-396.772 1.00 0.00 ATOM 73 C GLY 11 12.239 257.646-397.866 1.00 0.00 ATOM 74 N ASN 12 12.842 258.034-399.008 1.00 0.00 ATOM 75 CA ASN 12 14.161 258.617-399.098 1.00 0.00 ATOM 76 CB ASN 12 14.923 258.037-400.292 1.00 0.00 ATOM 77 CG ASN 12 15.243 256.567-400.120 1.00 0.00 ATOM 78 ND2 ASN 12 14.632 255.729-400.950 1.00 0.00 ATOM 79 OD1 ASN 12 16.029 256.189-399.253 1.00 0.00 ATOM 80 O ASN 12 13.244 260.564-400.045 1.00 0.00 ATOM 81 C ASN 12 14.051 260.076-399.268 1.00 0.00 ATOM 82 N LEU 13 14.894 260.770-398.533 1.00 0.00 ATOM 83 CA LEU 13 14.928 262.231-398.538 1.00 0.00 ATOM 84 CB LEU 13 15.771 262.750-397.371 1.00 0.00 ATOM 85 CG LEU 13 15.194 262.539-395.971 1.00 0.00 ATOM 86 CD1 LEU 13 16.184 262.985-394.908 1.00 0.00 ATOM 87 CD2 LEU 13 13.912 263.339-395.793 1.00 0.00 ATOM 88 O LEU 13 16.553 262.198-400.363 1.00 0.00 ATOM 89 C LEU 13 15.542 262.710-399.858 1.00 0.00 ATOM 90 N THR 14 14.887 263.709-400.430 1.00 0.00 ATOM 91 CA THR 14 15.256 264.190-401.736 1.00 0.00 ATOM 92 CB THR 14 14.042 264.767-402.488 1.00 0.00 ATOM 93 CG2 THR 14 14.470 265.334-403.836 1.00 0.00 ATOM 94 OG1 THR 14 13.076 263.731-402.708 1.00 0.00 ATOM 95 O THR 14 17.105 265.415-402.596 1.00 0.00 ATOM 96 C THR 14 16.294 265.285-401.689 1.00 0.00 ATOM 97 N ALA 15 16.334 266.128-400.670 1.00 0.00 ATOM 98 CA ALA 15 17.294 267.232-400.637 1.00 0.00 ATOM 99 CB ALA 15 16.666 268.496-401.205 1.00 0.00 ATOM 100 O ALA 15 16.997 267.149-398.276 1.00 0.00 ATOM 101 C ALA 15 17.723 267.495-399.208 1.00 0.00 ATOM 102 N ASP 16 18.864 268.203-399.034 1.00 0.00 ATOM 103 CA ASP 16 19.290 268.557-397.702 1.00 0.00 ATOM 104 CB ASP 16 20.673 269.235-397.760 1.00 0.00 ATOM 105 CG ASP 16 21.193 269.546-396.365 1.00 0.00 ATOM 106 OD1 ASP 16 20.934 270.648-395.862 1.00 0.00 ATOM 107 OD2 ASP 16 21.820 268.652-395.776 1.00 0.00 ATOM 108 O ASP 16 17.886 270.543-397.727 1.00 0.00 ATOM 109 C ASP 16 18.243 269.527-397.107 1.00 0.00 ATOM 110 N PRO 17 17.749 269.272-395.908 1.00 0.00 ATOM 111 CA PRO 17 16.719 270.085-395.266 1.00 0.00 ATOM 112 CB PRO 17 16.506 269.413-393.909 1.00 0.00 ATOM 113 CG PRO 17 16.959 268.006-394.115 1.00 0.00 ATOM 114 CD PRO 17 18.148 268.080-395.029 1.00 0.00 ATOM 115 O PRO 17 18.136 271.968-394.702 1.00 0.00 ATOM 116 C PRO 17 17.019 271.560-395.031 1.00 0.00 ATOM 117 N GLU 18 15.948 272.348-395.244 1.00 0.00 ATOM 118 CA GLU 18 16.050 273.774-395.100 1.00 0.00 ATOM 119 CB GLU 18 16.050 274.484-396.451 1.00 0.00 ATOM 120 CG GLU 18 14.898 274.173-397.379 1.00 0.00 ATOM 121 CD GLU 18 15.217 274.578-398.814 1.00 0.00 ATOM 122 OE1 GLU 18 16.157 275.387-399.023 1.00 0.00 ATOM 123 OE2 GLU 18 14.536 274.075-399.740 1.00 0.00 ATOM 124 O GLU 18 13.887 273.587-394.127 1.00 0.00 ATOM 125 C GLU 18 14.935 274.232-394.206 1.00 0.00 ATOM 126 N LEU 19 15.924 275.045-393.009 1.00 0.00 ATOM 127 CA LEU 19 15.273 275.672-391.865 1.00 0.00 ATOM 128 CB LEU 19 16.307 276.052-390.804 1.00 0.00 ATOM 129 CG LEU 19 15.762 276.693-389.527 1.00 0.00 ATOM 130 CD1 LEU 19 14.857 275.724-388.783 1.00 0.00 ATOM 131 CD2 LEU 19 16.899 277.091-388.598 1.00 0.00 ATOM 132 O LEU 19 15.172 277.893-392.825 1.00 0.00 ATOM 133 C LEU 19 14.566 276.918-392.371 1.00 0.00 ATOM 134 N ARG 20 13.239 276.821-392.314 1.00 0.00 ATOM 135 CA ARG 20 12.393 277.892-392.776 1.00 0.00 ATOM 136 CB ARG 20 11.142 277.332-393.453 1.00 0.00 ATOM 137 CG ARG 20 10.211 278.395-394.015 1.00 0.00 ATOM 138 CD ARG 20 9.031 277.768-394.740 1.00 0.00 ATOM 139 NE ARG 20 8.122 278.778-395.277 1.00 0.00 ATOM 140 CZ ARG 20 6.981 278.499-395.902 1.00 0.00 ATOM 141 NH1 ARG 20 6.217 279.482-396.357 1.00 0.00 ATOM 142 NH2 ARG 20 6.608 277.237-396.067 1.00 0.00 ATOM 143 O ARG 20 11.265 278.374-390.696 1.00 0.00 ATOM 144 C ARG 20 11.940 278.789-391.639 1.00 0.00 ATOM 145 N PHE 21 12.379 280.038-391.756 1.00 0.00 ATOM 146 CA PHE 21 12.034 281.099-390.817 1.00 0.00 ATOM 147 CB PHE 21 13.281 281.888-390.404 1.00 0.00 ATOM 148 CG PHE 21 14.085 281.261-389.298 1.00 0.00 ATOM 149 CD1 PHE 21 13.669 280.096-388.665 1.00 0.00 ATOM 150 CD2 PHE 21 15.258 281.870-388.874 1.00 0.00 ATOM 151 CE1 PHE 21 14.405 279.543-387.622 1.00 0.00 ATOM 152 CE2 PHE 21 16.008 281.330-387.832 1.00 0.00 ATOM 153 CZ PHE 21 15.577 280.159-387.202 1.00 0.00 ATOM 154 O PHE 21 11.305 282.309-392.765 1.00 0.00 ATOM 155 C PHE 21 11.130 282.078-391.561 1.00 0.00 ATOM 156 N THR 22 10.150 282.640-390.870 1.00 0.00 ATOM 157 CA THR 22 9.317 283.658-391.502 1.00 0.00 ATOM 158 CB THR 22 8.020 283.898-390.704 1.00 0.00 ATOM 159 CG2 THR 22 7.197 282.629-390.605 1.00 0.00 ATOM 160 OG1 THR 22 8.356 284.318-389.386 1.00 0.00 ATOM 161 O THR 22 11.242 284.926-390.733 1.00 0.00 ATOM 162 C THR 22 10.202 284.925-391.419 1.00 0.00 ATOM 163 N PRO 23 9.860 285.973-392.172 1.00 0.00 ATOM 164 CA PRO 23 10.673 287.222-392.120 1.00 0.00 ATOM 165 CB PRO 23 9.846 288.206-392.922 1.00 0.00 ATOM 166 CG PRO 23 9.122 287.329-393.932 1.00 0.00 ATOM 167 CD PRO 23 8.770 286.086-393.181 1.00 0.00 ATOM 168 O PRO 23 12.019 288.057-390.351 1.00 0.00 ATOM 169 C PRO 23 10.908 287.666-390.680 1.00 0.00 ATOM 170 N SER 24 10.528 286.973-389.342 1.00 0.00 ATOM 171 CA SER 24 10.757 286.801-387.915 1.00 0.00 ATOM 172 CB SER 24 10.729 288.157-387.201 1.00 0.00 ATOM 173 OG SER 24 9.457 288.768-387.321 1.00 0.00 ATOM 174 O SER 24 9.299 286.158-386.124 1.00 0.00 ATOM 175 C SER 24 9.701 285.917-387.264 1.00 0.00 ATOM 176 N GLY 25 9.248 284.880-387.985 1.00 0.00 ATOM 177 CA GLY 25 8.226 283.962-387.484 1.00 0.00 ATOM 178 O GLY 25 10.005 282.771-386.388 1.00 0.00 ATOM 179 C GLY 25 8.805 282.808-386.659 1.00 0.00 ATOM 180 N ALA 26 7.970 281.852-386.227 1.00 0.00 ATOM 181 CA ALA 26 8.434 280.677-385.503 1.00 0.00 ATOM 182 CB ALA 26 7.271 279.995-384.799 1.00 0.00 ATOM 183 O ALA 26 8.429 279.173-387.381 1.00 0.00 ATOM 184 C ALA 26 9.081 279.658-386.453 1.00 0.00 ATOM 185 N ALA 27 10.372 279.321-386.279 1.00 0.00 ATOM 186 CA ALA 27 11.195 278.594-387.252 1.00 0.00 ATOM 187 CB ALA 27 12.624 278.467-386.744 1.00 0.00 ATOM 188 O ALA 27 10.188 276.434-386.842 1.00 0.00 ATOM 189 C ALA 27 10.804 277.164-387.622 1.00 0.00 ATOM 190 N VAL 28 11.170 276.774-388.854 1.00 0.00 ATOM 191 CA VAL 28 10.829 275.466-389.391 1.00 0.00 ATOM 192 CB VAL 28 9.806 275.574-390.535 1.00 0.00 ATOM 193 CG1 VAL 28 8.506 276.182-390.030 1.00 0.00 ATOM 194 CG2 VAL 28 10.345 276.453-391.651 1.00 0.00 ATOM 195 O VAL 28 12.229 274.260-390.948 1.00 0.00 ATOM 196 C VAL 28 12.161 274.904-389.897 1.00 0.00 ATOM 197 N ALA 29 12.063 273.463-390.083 1.00 0.00 ATOM 198 CA ALA 29 13.062 272.708-390.831 1.00 0.00 ATOM 199 CB ALA 29 13.762 271.710-389.923 1.00 0.00 ATOM 200 O ALA 29 11.463 271.116-391.697 1.00 0.00 ATOM 201 C ALA 29 12.285 272.000-391.934 1.00 0.00 ATOM 202 N ASN 30 12.569 272.408-393.170 1.00 0.00 ATOM 203 CA ASN 30 11.845 271.930-394.323 1.00 0.00 ATOM 204 CB ASN 30 11.506 273.091-395.259 1.00 0.00 ATOM 205 CG ASN 30 10.484 274.040-394.666 1.00 0.00 ATOM 206 ND2 ASN 30 10.920 275.253-394.347 1.00 0.00 ATOM 207 OD1 ASN 30 9.316 273.685-394.497 1.00 0.00 ATOM 208 O ASN 30 13.816 271.231-395.446 1.00 0.00 ATOM 209 C ASN 30 12.684 270.919-395.086 1.00 0.00 ATOM 210 N PHE 31 12.227 269.705-395.400 1.00 0.00 ATOM 211 CA PHE 31 12.898 268.865-396.373 1.00 0.00 ATOM 212 CB PHE 31 13.934 267.975-395.688 1.00 0.00 ATOM 213 CG PHE 31 13.345 266.989-394.721 1.00 0.00 ATOM 214 CD1 PHE 31 12.989 265.718-395.136 1.00 0.00 ATOM 215 CD2 PHE 31 13.145 267.333-393.395 1.00 0.00 ATOM 216 CE1 PHE 31 12.447 264.811-394.246 1.00 0.00 ATOM 217 CE2 PHE 31 12.603 266.426-392.505 1.00 0.00 ATOM 218 CZ PHE 31 12.253 265.170-392.925 1.00 0.00 ATOM 219 O PHE 31 10.641 268.146-396.808 1.00 0.00 ATOM 220 C PHE 31 11.840 267.990-397.055 1.00 0.00 ATOM 221 N THR 32 12.262 267.216-398.042 1.00 0.00 ATOM 222 CA THR 32 11.335 266.385-398.792 1.00 0.00 ATOM 223 CB THR 32 11.440 266.648-400.306 1.00 0.00 ATOM 224 CG2 THR 32 10.469 265.761-401.070 1.00 0.00 ATOM 225 OG1 THR 32 11.133 268.020-400.581 1.00 0.00 ATOM 226 O THR 32 12.771 264.514-398.365 1.00 0.00 ATOM 227 C THR 32 11.627 264.913-398.548 1.00 0.00 ATOM 228 N VAL 33 10.576 264.120-398.508 1.00 0.00 ATOM 229 CA VAL 33 10.696 262.691-398.323 1.00 0.00 ATOM 230 CB VAL 33 10.023 262.232-397.016 1.00 0.00 ATOM 231 CG1 VAL 33 10.134 260.723-396.862 1.00 0.00 ATOM 232 CG2 VAL 33 10.686 262.887-395.817 1.00 0.00 ATOM 233 O VAL 33 8.927 262.369-399.916 1.00 0.00 ATOM 234 C VAL 33 10.017 261.986-399.513 1.00 0.00 ATOM 235 N ALA 34 10.791 261.199-400.245 1.00 0.00 ATOM 236 CA ALA 34 10.267 260.382-401.343 1.00 0.00 ATOM 237 CB ALA 34 11.271 260.324-402.484 1.00 0.00 ATOM 238 O ALA 34 10.769 258.140-400.515 1.00 0.00 ATOM 239 C ALA 34 9.955 258.924-400.967 1.00 0.00 ATOM 240 N SER 35 8.731 258.513-401.181 1.00 0.00 ATOM 241 CA SER 35 8.237 257.189-400.952 1.00 0.00 ATOM 242 CB SER 35 7.013 257.226-400.034 1.00 0.00 ATOM 243 OG SER 35 7.356 257.702-398.744 1.00 0.00 ATOM 244 O SER 35 7.276 257.330-403.106 1.00 0.00 ATOM 245 C SER 35 7.861 256.614-402.302 1.00 0.00 ATOM 246 N THR 36 8.178 255.365-402.607 1.00 0.00 ATOM 247 CA THR 36 7.796 254.784-403.879 1.00 0.00 ATOM 248 CB THR 36 8.990 254.094-404.562 1.00 0.00 ATOM 249 CG2 THR 36 10.138 255.073-404.748 1.00 0.00 ATOM 250 OG1 THR 36 9.440 252.998-403.754 1.00 0.00 ATOM 251 O THR 36 6.389 253.445-402.493 1.00 0.00 ATOM 252 C THR 36 6.721 253.769-403.635 1.00 0.00 ATOM 253 N PRO 37 6.170 253.264-404.730 1.00 0.00 ATOM 254 CA PRO 37 5.105 252.298-404.643 1.00 0.00 ATOM 255 CB PRO 37 3.880 253.130-404.258 1.00 0.00 ATOM 256 CG PRO 37 4.446 254.356-403.623 1.00 0.00 ATOM 257 CD PRO 37 5.689 254.690-404.399 1.00 0.00 ATOM 258 O PRO 37 4.510 252.179-406.965 1.00 0.00 ATOM 259 C PRO 37 4.906 251.598-405.962 1.00 0.00 ATOM 260 N ARG 38 5.211 250.307-405.929 1.00 0.00 ATOM 261 CA ARG 38 4.961 249.461-407.071 1.00 0.00 ATOM 262 CB ARG 38 6.007 248.348-407.151 1.00 0.00 ATOM 263 CG ARG 38 7.416 248.840-407.444 1.00 0.00 ATOM 264 CD ARG 38 7.548 249.320-408.880 1.00 0.00 ATOM 265 NE ARG 38 8.911 249.742-409.192 1.00 0.00 ATOM 266 CZ ARG 38 9.278 250.286-410.349 1.00 0.00 ATOM 267 NH1 ARG 38 10.541 250.639-410.544 1.00 0.00 ATOM 268 NH2 ARG 38 8.380 250.475-411.304 1.00 0.00 ATOM 269 O ARG 38 3.160 248.392-405.874 1.00 0.00 ATOM 270 C ARG 38 3.577 248.831-406.948 1.00 0.00 ATOM 271 N ILE 39 2.830 248.768-408.053 1.00 0.00 ATOM 272 CA ILE 39 1.469 248.263-408.010 1.00 0.00 ATOM 273 CB ILE 39 0.494 249.194-408.755 1.00 0.00 ATOM 274 CG1 ILE 39 0.475 250.578-408.102 1.00 0.00 ATOM 275 CG2 ILE 39 -0.915 248.628-408.726 1.00 0.00 ATOM 276 CD1 ILE 39 -0.260 251.625-408.910 1.00 0.00 ATOM 277 O ILE 39 2.246 246.666-409.642 1.00 0.00 ATOM 278 C ILE 39 1.511 246.899-408.679 1.00 0.00 ATOM 279 N TYR 40 0.765 245.957-408.165 1.00 0.00 ATOM 280 CA TYR 40 0.757 244.580-408.648 1.00 0.00 ATOM 281 CB TYR 40 1.307 243.635-407.578 1.00 0.00 ATOM 282 CG TYR 40 0.459 243.556-406.331 1.00 0.00 ATOM 283 CD1 TYR 40 -0.564 242.621-406.224 1.00 0.00 ATOM 284 CD2 TYR 40 0.679 244.418-405.265 1.00 0.00 ATOM 285 CE1 TYR 40 -1.346 242.541-405.089 1.00 0.00 ATOM 286 CE2 TYR 40 -0.093 244.353-404.121 1.00 0.00 ATOM 287 CZ TYR 40 -1.113 243.405-404.039 1.00 0.00 ATOM 288 OH TYR 40 -1.891 243.330-402.907 1.00 0.00 ATOM 289 O TYR 40 -1.612 244.865-408.573 1.00 0.00 ATOM 290 C TYR 40 -0.669 244.177-408.980 1.00 0.00 ATOM 291 N ASP 41 -0.905 243.131-409.760 1.00 0.00 ATOM 292 CA ASP 41 -2.286 242.706-410.025 1.00 0.00 ATOM 293 CB ASP 41 -2.397 242.070-411.412 1.00 0.00 ATOM 294 CG ASP 41 -1.572 240.805-411.539 1.00 0.00 ATOM 295 OD1 ASP 41 -1.495 240.255-412.659 1.00 0.00 ATOM 296 OD2 ASP 41 -1.004 240.358-410.518 1.00 0.00 ATOM 297 O ASP 41 -3.964 241.121-409.289 1.00 0.00 ATOM 298 C ASP 41 -2.873 241.670-409.052 1.00 0.00 ATOM 299 N ARG 42 -2.146 241.399-407.967 1.00 0.00 ATOM 300 CA ARG 42 -2.573 240.462-406.928 1.00 0.00 ATOM 301 CB ARG 42 -2.195 239.030-407.309 1.00 0.00 ATOM 302 CG ARG 42 -0.700 238.799-407.443 1.00 0.00 ATOM 303 CD ARG 42 -0.402 237.405-407.974 1.00 0.00 ATOM 304 NE ARG 42 -0.799 237.258-409.372 1.00 0.00 ATOM 305 CZ ARG 42 -0.846 236.096-410.018 1.00 0.00 ATOM 306 NH1 ARG 42 -1.220 236.058-411.288 1.00 0.00 ATOM 307 NH2 ARG 42 -0.518 234.977-409.389 1.00 0.00 ATOM 308 O ARG 42 -0.864 241.664-405.815 1.00 0.00 ATOM 309 C ARG 42 -1.838 240.924-405.696 1.00 0.00 ATOM 310 N GLN 43 -2.321 240.556-404.518 1.00 0.00 ATOM 311 CA GLN 43 -1.644 240.954-403.291 1.00 0.00 ATOM 312 CB GLN 43 -2.428 240.476-402.067 1.00 0.00 ATOM 313 CG GLN 43 -3.752 241.193-401.859 1.00 0.00 ATOM 314 CD GLN 43 -4.532 240.647-400.679 1.00 0.00 ATOM 315 OE1 GLN 43 -4.096 239.704-400.017 1.00 0.00 ATOM 316 NE2 GLN 43 -5.690 241.240-400.411 1.00 0.00 ATOM 317 O GLN 43 0.711 241.025-402.813 1.00 0.00 ATOM 318 C GLN 43 -0.240 240.354-403.218 1.00 0.00 ATOM 319 N THR 44 -0.104 239.096-403.627 1.00 0.00 ATOM 320 CA THR 44 1.194 238.427-403.601 1.00 0.00 ATOM 321 CB THR 44 1.063 236.932-403.952 1.00 0.00 ATOM 322 CG2 THR 44 0.156 236.228-402.954 1.00 0.00 ATOM 323 OG1 THR 44 0.507 236.793-405.265 1.00 0.00 ATOM 324 O THR 44 3.326 239.252-404.314 1.00 0.00 ATOM 325 C THR 44 2.149 239.057-404.607 1.00 0.00 ATOM 326 N GLY 45 1.960 239.703-405.860 1.00 0.00 ATOM 327 CA GLY 45 2.343 239.444-407.248 1.00 0.00 ATOM 328 O GLY 45 3.972 241.205-406.959 1.00 0.00 ATOM 329 C GLY 45 3.483 240.349-407.704 1.00 0.00 ATOM 330 N GLU 46 3.954 240.181-408.953 1.00 0.00 ATOM 331 CA GLU 46 5.066 240.990-409.430 1.00 0.00 ATOM 332 CB GLU 46 5.796 240.283-410.581 1.00 0.00 ATOM 333 CG GLU 46 6.370 238.947-410.134 1.00 0.00 ATOM 334 CD GLU 46 7.180 238.234-411.206 1.00 0.00 ATOM 335 OE1 GLU 46 7.311 238.804-412.301 1.00 0.00 ATOM 336 OE2 GLU 46 7.667 237.118-410.925 1.00 0.00 ATOM 337 O GLU 46 3.433 242.323-410.579 1.00 0.00 ATOM 338 C GLU 46 4.473 242.329-409.880 1.00 0.00 ATOM 339 N TRP 47 5.091 243.433-409.521 1.00 0.00 ATOM 340 CA TRP 47 4.539 244.749-409.848 1.00 0.00 ATOM 341 CB TRP 47 5.145 245.824-408.945 1.00 0.00 ATOM 342 CG TRP 47 4.701 245.729-407.518 1.00 0.00 ATOM 343 CD1 TRP 47 3.632 246.360-406.947 1.00 0.00 ATOM 344 CD2 TRP 47 5.315 244.958-406.476 1.00 0.00 ATOM 345 CE2 TRP 47 4.565 245.171-405.304 1.00 0.00 ATOM 346 CE3 TRP 47 6.423 244.111-406.422 1.00 0.00 ATOM 347 NE1 TRP 47 3.542 246.031-405.616 1.00 0.00 ATOM 348 CZ2 TRP 47 4.890 244.564-404.090 1.00 0.00 ATOM 349 CZ3 TRP 47 6.742 243.511-405.219 1.00 0.00 ATOM 350 CH2 TRP 47 5.979 243.739-404.068 1.00 0.00 ATOM 351 O TRP 47 5.988 244.871-411.764 1.00 0.00 ATOM 352 C TRP 47 4.862 245.078-411.315 1.00 0.00 ATOM 353 N LYS 48 3.884 245.584-412.060 1.00 0.00 ATOM 354 CA LYS 48 4.100 245.922-413.460 1.00 0.00 ATOM 355 CB LYS 48 2.775 245.908-414.225 1.00 0.00 ATOM 356 CG LYS 48 2.138 244.532-414.338 1.00 0.00 ATOM 357 CD LYS 48 2.994 243.592-415.173 1.00 0.00 ATOM 358 CE LYS 48 2.336 242.233-415.325 1.00 0.00 ATOM 359 NZ LYS 48 3.183 241.290-416.108 1.00 0.00 ATOM 360 O LYS 48 5.026 247.751-414.710 1.00 0.00 ATOM 361 C LYS 48 4.712 247.313-413.604 1.00 0.00 ATOM 362 N ASP 49 4.901 247.869-412.033 1.00 0.00 ATOM 363 CA ASP 49 4.492 249.210-412.427 1.00 0.00 ATOM 364 CB ASP 49 3.051 249.202-412.945 1.00 0.00 ATOM 365 CG ASP 49 2.649 250.521-413.568 1.00 0.00 ATOM 366 OD1 ASP 49 1.461 250.895-413.455 1.00 0.00 ATOM 367 OD2 ASP 49 3.521 251.186-414.170 1.00 0.00 ATOM 368 O ASP 49 3.953 249.851-410.194 1.00 0.00 ATOM 369 C ASP 49 4.587 250.120-411.210 1.00 0.00 ATOM 370 N GLY 50 5.343 251.222-411.290 1.00 0.00 ATOM 371 CA GLY 50 5.569 252.070-410.123 1.00 0.00 ATOM 372 O GLY 50 4.647 254.083-411.134 1.00 0.00 ATOM 373 C GLY 50 5.070 253.514-410.127 1.00 0.00 ATOM 374 N GLU 51 5.137 254.069-408.913 1.00 0.00 ATOM 375 CA GLU 51 4.678 255.410-408.561 1.00 0.00 ATOM 376 CB GLU 51 3.227 255.367-408.074 1.00 0.00 ATOM 377 CG GLU 51 2.638 256.734-407.766 1.00 0.00 ATOM 378 CD GLU 51 1.186 256.657-407.337 1.00 0.00 ATOM 379 OE1 GLU 51 0.640 255.535-407.279 1.00 0.00 ATOM 380 OE2 GLU 51 0.592 257.721-407.057 1.00 0.00 ATOM 381 O GLU 51 6.036 255.234-406.608 1.00 0.00 ATOM 382 C GLU 51 5.547 255.983-407.451 1.00 0.00 ATOM 383 N ALA 52 5.731 257.306-407.400 1.00 0.00 ATOM 384 CA ALA 52 6.501 257.922-406.327 1.00 0.00 ATOM 385 CB ALA 52 7.857 258.379-406.841 1.00 0.00 ATOM 386 O ALA 52 5.426 260.098-406.441 1.00 0.00 ATOM 387 C ALA 52 5.779 259.137-405.754 1.00 0.00 ATOM 388 N LEU 53 5.550 259.034-404.444 1.00 0.00 ATOM 389 CA LEU 53 4.822 260.036-403.681 1.00 0.00 ATOM 390 CB LEU 53 3.848 259.370-402.708 1.00 0.00 ATOM 391 CG LEU 53 2.715 258.552-403.334 1.00 0.00 ATOM 392 CD1 LEU 53 1.906 257.845-402.259 1.00 0.00 ATOM 393 CD2 LEU 53 1.778 259.452-404.123 1.00 0.00 ATOM 394 O LEU 53 6.709 260.480-402.244 1.00 0.00 ATOM 395 C LEU 53 5.745 260.934-402.859 1.00 0.00 ATOM 396 N PHE 54 5.439 262.237-402.863 1.00 0.00 ATOM 397 CA PHE 54 6.223 263.236-402.142 1.00 0.00 ATOM 398 CB PHE 54 6.555 264.416-403.057 1.00 0.00 ATOM 399 CG PHE 54 7.499 264.072-404.173 1.00 0.00 ATOM 400 CD1 PHE 54 7.022 263.792-405.441 1.00 0.00 ATOM 401 CD2 PHE 54 8.866 264.027-403.955 1.00 0.00 ATOM 402 CE1 PHE 54 7.889 263.474-406.467 1.00 0.00 ATOM 403 CE2 PHE 54 9.734 263.710-404.980 1.00 0.00 ATOM 404 CZ PHE 54 9.252 263.435-406.234 1.00 0.00 ATOM 405 O PHE 54 4.459 264.431-401.004 1.00 0.00 ATOM 406 C PHE 54 5.529 263.824-400.920 1.00 0.00 ATOM 407 N LEU 55 6.173 263.610-399.771 1.00 0.00 ATOM 408 CA LEU 55 5.678 264.051-398.474 1.00 0.00 ATOM 409 CB LEU 55 5.912 262.970-397.416 1.00 0.00 ATOM 410 CG LEU 55 5.466 263.310-395.992 1.00 0.00 ATOM 411 CD1 LEU 55 3.960 263.516-395.936 1.00 0.00 ATOM 412 CD2 LEU 55 5.828 262.187-395.034 1.00 0.00 ATOM 413 O LEU 55 7.581 265.371-397.924 1.00 0.00 ATOM 414 C LEU 55 6.354 265.318-397.980 1.00 0.00 ATOM 415 N ARG 56 5.587 266.351-397.600 1.00 0.00 ATOM 416 CA ARG 56 6.148 267.604-397.084 1.00 0.00 ATOM 417 CB ARG 56 5.192 268.768-397.354 1.00 0.00 ATOM 418 CG ARG 56 4.958 269.049-398.830 1.00 0.00 ATOM 419 CD ARG 56 3.984 270.198-399.026 1.00 0.00 ATOM 420 NE ARG 56 3.733 270.469-400.438 1.00 0.00 ATOM 421 CZ ARG 56 2.853 271.361-400.884 1.00 0.00 ATOM 422 NH1 ARG 56 2.691 271.540-402.187 1.00 0.00 ATOM 423 NH2 ARG 56 2.137 272.072-400.023 1.00 0.00 ATOM 424 O ARG 56 5.368 267.335-394.829 1.00 0.00 ATOM 425 C ARG 56 6.325 267.378-395.601 1.00 0.00 ATOM 426 N CYS 57 7.531 267.236-395.173 1.00 0.00 ATOM 427 CA CYS 57 7.888 266.988-393.789 1.00 0.00 ATOM 428 CB CYS 57 8.844 265.811-393.631 1.00 0.00 ATOM 429 SG CYS 57 7.997 264.245-394.047 1.00 0.00 ATOM 430 O CYS 57 9.453 268.851-393.933 1.00 0.00 ATOM 431 C CYS 57 8.608 268.246-393.222 1.00 0.00 ATOM 432 N ASN 58 8.302 268.660-392.035 1.00 0.00 ATOM 433 CA ASN 58 8.862 269.842-391.388 1.00 0.00 ATOM 434 CB ASN 58 7.768 270.882-391.132 1.00 0.00 ATOM 435 CG ASN 58 8.314 272.169-390.548 1.00 0.00 ATOM 436 ND2 ASN 58 9.630 272.222-390.363 1.00 0.00 ATOM 437 OD1 ASN 58 7.564 273.102-390.268 1.00 0.00 ATOM 438 O ASN 58 8.807 268.879-389.195 1.00 0.00 ATOM 439 C ASN 58 9.498 269.462-390.048 1.00 0.00 ATOM 440 N ILE 59 10.749 269.833-389.773 1.00 0.00 ATOM 441 CA ILE 59 11.302 269.511-388.465 1.00 0.00 ATOM 442 CB ILE 59 12.605 268.700-388.588 1.00 0.00 ATOM 443 CG1 ILE 59 12.358 267.405-389.361 1.00 0.00 ATOM 444 CG2 ILE 59 13.141 268.344-387.209 1.00 0.00 ATOM 445 CD1 ILE 59 11.350 266.485-388.708 1.00 0.00 ATOM 446 O ILE 59 12.657 271.406-387.772 1.00 0.00 ATOM 447 C ILE 59 11.639 270.725-387.623 1.00 0.00 ATOM 448 N TRP 60 10.661 270.988-386.755 1.00 0.00 ATOM 449 CA TRP 60 10.834 271.926-385.662 1.00 0.00 ATOM 450 CB TRP 60 9.505 272.608-385.325 1.00 0.00 ATOM 451 CG TRP 60 8.990 273.489-386.421 1.00 0.00 ATOM 452 CD1 TRP 60 9.603 273.763-387.609 1.00 0.00 ATOM 453 CD2 TRP 60 7.752 274.211-386.430 1.00 0.00 ATOM 454 CE2 TRP 60 7.683 274.903-387.655 1.00 0.00 ATOM 455 CE3 TRP 60 6.697 274.342-385.524 1.00 0.00 ATOM 456 NE1 TRP 60 8.826 274.612-388.359 1.00 0.00 ATOM 457 CZ2 TRP 60 6.600 275.712-387.996 1.00 0.00 ATOM 458 CZ3 TRP 60 5.627 275.147-385.865 1.00 0.00 ATOM 459 CH2 TRP 60 5.583 275.822-387.088 1.00 0.00 ATOM 460 O TRP 60 11.309 269.833-384.565 1.00 0.00 ATOM 461 C TRP 60 11.333 271.069-384.492 1.00 0.00 ATOM 462 N ARG 61 11.773 271.738-383.413 1.00 0.00 ATOM 463 CA ARG 61 12.407 271.236-382.182 1.00 0.00 ATOM 464 CB ARG 61 11.944 269.807-381.886 1.00 0.00 ATOM 465 CG ARG 61 12.482 269.239-380.583 1.00 0.00 ATOM 466 CD ARG 61 11.924 267.853-380.313 1.00 0.00 ATOM 467 NE ARG 61 12.439 267.287-379.069 1.00 0.00 ATOM 468 CZ ARG 61 12.158 266.061-378.631 1.00 0.00 ATOM 469 NH1 ARG 61 12.673 265.635-377.488 1.00 0.00 ATOM 470 NH2 ARG 61 11.362 265.271-379.338 1.00 0.00 ATOM 471 O ARG 61 14.437 270.654-383.315 1.00 0.00 ATOM 472 C ARG 61 13.926 271.242-382.355 1.00 0.00 ATOM 473 N GLU 62 14.645 271.908-381.436 1.00 0.00 ATOM 474 CA GLU 62 16.097 271.975-381.508 1.00 0.00 ATOM 475 CB GLU 62 16.639 272.916-380.427 1.00 0.00 ATOM 476 CG GLU 62 16.016 274.303-380.451 1.00 0.00 ATOM 477 CD GLU 62 16.560 275.220-379.373 1.00 0.00 ATOM 478 OE1 GLU 62 16.557 274.827-378.187 1.00 0.00 ATOM 479 OE2 GLU 62 16.986 276.344-379.714 1.00 0.00 ATOM 480 O GLU 62 17.647 270.191-381.951 1.00 0.00 ATOM 481 C GLU 62 16.662 270.571-381.315 1.00 0.00 ATOM 482 N ALA 63 16.029 269.801-380.435 1.00 0.00 ATOM 483 CA ALA 63 16.465 268.432-380.172 1.00 0.00 ATOM 484 CB ALA 63 15.662 267.841-379.010 1.00 0.00 ATOM 485 O ALA 63 17.153 266.760-381.752 1.00 0.00 ATOM 486 C ALA 63 16.291 267.576-381.425 1.00 0.00 ATOM 487 N ALA 64 15.179 267.761-382.127 1.00 0.00 ATOM 488 CA ALA 64 14.920 267.004-383.353 1.00 0.00 ATOM 489 CB ALA 64 13.424 266.906-383.611 1.00 0.00 ATOM 490 O ALA 64 15.569 267.108-385.672 1.00 0.00 ATOM 491 C ALA 64 15.570 267.671-384.576 1.00 0.00 ATOM 492 N GLU 65 16.118 268.858-384.388 1.00 0.00 ATOM 493 CA GLU 65 16.777 269.592-385.461 1.00 0.00 ATOM 494 CB GLU 65 17.099 271.021-385.017 1.00 0.00 ATOM 495 CG GLU 65 17.716 271.884-386.103 1.00 0.00 ATOM 496 CD GLU 65 17.972 273.306-385.642 1.00 0.00 ATOM 497 OE1 GLU 65 17.670 273.615-384.470 1.00 0.00 ATOM 498 OE2 GLU 65 18.479 274.110-386.453 1.00 0.00 ATOM 499 O GLU 65 18.446 268.924-387.094 1.00 0.00 ATOM 500 C GLU 65 18.089 268.978-385.921 1.00 0.00 ATOM 501 N ASN 66 18.830 268.444-384.962 1.00 0.00 ATOM 502 CA ASN 66 20.116 267.801-385.213 1.00 0.00 ATOM 503 CB ASN 66 20.860 267.557-383.898 1.00 0.00 ATOM 504 CG ASN 66 21.421 268.832-383.301 1.00 0.00 ATOM 505 ND2 ASN 66 21.065 269.967-383.892 1.00 0.00 ATOM 506 OD1 ASN 66 22.167 268.796-382.320 1.00 0.00 ATOM 507 O ASN 66 20.681 266.053-386.786 1.00 0.00 ATOM 508 C ASN 66 19.900 266.449-385.916 1.00 0.00 ATOM 509 N VAL 67 18.830 265.725-385.570 1.00 0.00 ATOM 510 CA VAL 67 18.481 264.489-386.240 1.00 0.00 ATOM 511 CB VAL 67 17.304 263.780-385.544 1.00 0.00 ATOM 512 CG1 VAL 67 16.837 262.589-386.367 1.00 0.00 ATOM 513 CG2 VAL 67 17.718 263.282-384.170 1.00 0.00 ATOM 514 O VAL 67 18.507 264.156-388.618 1.00 0.00 ATOM 515 C VAL 67 18.088 264.821-387.678 1.00 0.00 ATOM 516 N ALA 68 17.311 265.882-387.853 1.00 0.00 ATOM 517 CA ALA 68 16.887 266.308-389.183 1.00 0.00 ATOM 518 CB ALA 68 15.917 267.475-389.084 1.00 0.00 ATOM 519 O ALA 68 18.247 266.415-391.165 1.00 0.00 ATOM 520 C ALA 68 18.111 266.744-389.989 1.00 0.00 ATOM 521 N GLU 69 18.996 267.469-389.294 1.00 0.00 ATOM 522 CA GLU 69 20.230 267.952-389.962 1.00 0.00 ATOM 523 CB GLU 69 21.005 268.824-389.027 1.00 0.00 ATOM 524 CG GLU 69 20.566 270.222-388.802 1.00 0.00 ATOM 525 CD GLU 69 21.620 270.958-387.933 1.00 0.00 ATOM 526 OE1 GLU 69 22.774 271.059-388.516 1.00 0.00 ATOM 527 OE2 GLU 69 21.344 271.402-386.881 1.00 0.00 ATOM 528 O GLU 69 21.733 266.748-391.432 1.00 0.00 ATOM 529 C GLU 69 21.103 266.750-390.330 1.00 0.00 ATOM 530 N SER 70 21.158 265.744-389.464 1.00 0.00 ATOM 531 CA SER 70 21.983 264.569-389.773 1.00 0.00 ATOM 532 CB SER 70 22.038 263.592-388.589 1.00 0.00 ATOM 533 OG SER 70 20.754 263.143-388.255 1.00 0.00 ATOM 534 O SER 70 22.094 263.107-391.693 1.00 0.00 ATOM 535 C SER 70 21.413 263.880-391.018 1.00 0.00 ATOM 536 N LEU 71 19.994 264.100-391.222 1.00 0.00 ATOM 537 CA LEU 71 19.581 263.364-392.397 1.00 0.00 ATOM 538 CB LEU 71 18.201 262.741-392.180 1.00 0.00 ATOM 539 CG LEU 71 18.120 261.616-391.148 1.00 0.00 ATOM 540 CD1 LEU 71 16.678 261.177-390.940 1.00 0.00 ATOM 541 CD2 LEU 71 18.922 260.408-391.605 1.00 0.00 ATOM 542 O LEU 71 18.841 265.327-393.561 1.00 0.00 ATOM 543 C LEU 71 19.515 264.309-393.588 1.00 0.00 ATOM 544 N THR 72 20.262 264.029-394.649 1.00 0.00 ATOM 545 CA THR 72 20.247 264.828-395.871 1.00 0.00 ATOM 546 CB THR 72 21.620 265.471-396.143 1.00 0.00 ATOM 547 CG2 THR 72 22.060 266.310-394.954 1.00 0.00 ATOM 548 OG1 THR 72 22.595 264.445-396.371 1.00 0.00 ATOM 549 O THR 72 19.978 262.725-396.931 1.00 0.00 ATOM 550 C THR 72 19.893 263.948-397.040 1.00 0.00 ATOM 551 N ARG 73 19.542 264.573-398.161 1.00 0.00 ATOM 552 CA ARG 73 19.234 263.807-399.371 1.00 0.00 ATOM 553 CB ARG 73 18.490 264.665-400.413 1.00 0.00 ATOM 554 CG ARG 73 19.391 265.523-401.301 1.00 0.00 ATOM 555 CD ARG 73 18.606 266.410-402.265 1.00 0.00 ATOM 556 NE ARG 73 19.456 266.857-403.371 1.00 0.00 ATOM 557 CZ ARG 73 19.323 268.003-404.038 1.00 0.00 ATOM 558 NH1 ARG 73 18.385 268.884-403.709 1.00 0.00 ATOM 559 NH2 ARG 73 20.157 268.284-405.029 1.00 0.00 ATOM 560 O ARG 73 21.618 263.889-399.742 1.00 0.00 ATOM 561 C ARG 73 20.560 263.281-399.936 1.00 0.00 ATOM 562 N GLY 74 18.991 262.679-399.827 1.00 0.00 ATOM 563 CA GLY 74 19.188 261.286-400.142 1.00 0.00 ATOM 564 O GLY 74 19.124 259.144-399.109 1.00 0.00 ATOM 565 C GLY 74 19.067 260.359-398.939 1.00 0.00 ATOM 566 N ALA 75 18.934 260.838-397.700 1.00 0.00 ATOM 567 CA ALA 75 18.821 259.941-396.565 1.00 0.00 ATOM 568 CB ALA 75 18.964 260.714-395.263 1.00 0.00 ATOM 569 O ALA 75 16.424 259.798-396.752 1.00 0.00 ATOM 570 C ALA 75 17.468 259.201-396.505 1.00 0.00 ATOM 571 N ARG 76 17.461 257.864-396.299 1.00 0.00 ATOM 572 CA ARG 76 16.267 257.120-395.912 1.00 0.00 ATOM 573 CB ARG 76 16.445 255.630-396.208 1.00 0.00 ATOM 574 CG ARG 76 15.209 254.790-395.932 1.00 0.00 ATOM 575 CD ARG 76 15.430 253.337-396.319 1.00 0.00 ATOM 576 NE ARG 76 14.254 252.512-396.049 1.00 0.00 ATOM 577 CZ ARG 76 14.206 251.196-396.239 1.00 0.00 ATOM 578 NH1 ARG 76 13.092 250.531-395.964 1.00 0.00 ATOM 579 NH2 ARG 76 15.267 250.553-396.702 1.00 0.00 ATOM 580 O ARG 76 17.043 257.312-393.616 1.00 0.00 ATOM 581 C ARG 76 16.101 257.366-394.410 1.00 0.00 ATOM 582 N VAL 77 14.857 257.685-394.080 1.00 0.00 ATOM 583 CA VAL 77 14.330 258.116-392.797 1.00 0.00 ATOM 584 CB VAL 77 14.092 259.637-392.765 1.00 0.00 ATOM 585 CG1 VAL 77 15.404 260.386-392.943 1.00 0.00 ATOM 586 CG2 VAL 77 13.147 260.053-393.883 1.00 0.00 ATOM 587 O VAL 77 12.298 257.023-393.593 1.00 0.00 ATOM 588 C VAL 77 12.997 257.361-392.620 1.00 0.00 ATOM 589 N ILE 78 12.681 257.056-391.354 1.00 0.00 ATOM 590 CA ILE 78 11.394 256.505-390.957 1.00 0.00 ATOM 591 CB ILE 78 11.556 255.155-390.235 1.00 0.00 ATOM 592 CG1 ILE 78 12.214 254.130-391.162 1.00 0.00 ATOM 593 CG2 ILE 78 10.200 254.614-389.804 1.00 0.00 ATOM 594 CD1 ILE 78 12.637 252.856-390.459 1.00 0.00 ATOM 595 O ILE 78 11.540 258.057-389.170 1.00 0.00 ATOM 596 C ILE 78 10.820 257.556-390.037 1.00 0.00 ATOM 597 N VAL 79 9.532 257.876-390.077 1.00 0.00 ATOM 598 CA VAL 79 9.044 258.859-389.129 1.00 0.00 ATOM 599 CB VAL 79 9.224 260.293-389.663 1.00 0.00 ATOM 600 CG1 VAL 79 10.700 260.607-389.862 1.00 0.00 ATOM 601 CG2 VAL 79 8.516 260.458-390.998 1.00 0.00 ATOM 602 O VAL 79 6.939 257.995-389.609 1.00 0.00 ATOM 603 C VAL 79 7.619 258.657-388.863 1.00 0.00 ATOM 604 N SER 80 7.229 259.257-387.758 1.00 0.00 ATOM 605 CA SER 80 5.857 259.253-387.303 1.00 0.00 ATOM 606 CB SER 80 5.702 258.347-386.081 1.00 0.00 ATOM 607 OG SER 80 4.369 258.361-385.602 1.00 0.00 ATOM 608 O SER 80 6.228 261.429-386.271 1.00 0.00 ATOM 609 C SER 80 5.485 260.686-386.936 1.00 0.00 ATOM 610 N GLY 81 4.272 261.036-387.370 1.00 0.00 ATOM 611 CA GLY 81 3.729 262.351-387.110 1.00 0.00 ATOM 612 O GLY 81 1.517 261.398-387.257 1.00 0.00 ATOM 613 C GLY 81 2.223 262.405-387.271 1.00 0.00 ATOM 614 N ARG 82 1.749 263.644-387.413 1.00 0.00 ATOM 615 CA ARG 82 0.322 263.892-387.578 1.00 0.00 ATOM 616 CB ARG 82 -0.311 264.143-386.228 1.00 0.00 ATOM 617 CG ARG 82 0.631 264.972-385.383 1.00 0.00 ATOM 618 CD ARG 82 1.231 264.141-384.279 1.00 0.00 ATOM 619 NE ARG 82 1.550 265.031-383.184 1.00 0.00 ATOM 620 CZ ARG 82 2.306 264.595-382.215 1.00 0.00 ATOM 621 NH1 ARG 82 2.744 263.327-382.263 1.00 0.00 ATOM 622 NH2 ARG 82 2.602 265.425-381.214 1.00 0.00 ATOM 623 O ARG 82 0.572 266.111-388.463 1.00 0.00 ATOM 624 C ARG 82 -0.051 265.051-388.517 1.00 0.00 ATOM 625 N LEU 83 -1.073 264.606-389.469 1.00 0.00 ATOM 626 CA LEU 83 -1.437 265.435-390.611 1.00 0.00 ATOM 627 CB LEU 83 -2.463 264.714-391.488 1.00 0.00 ATOM 628 CG LEU 83 -2.899 265.447-392.760 1.00 0.00 ATOM 629 CD1 LEU 83 -3.724 264.529-393.652 1.00 0.00 ATOM 630 CD2 LEU 83 -3.747 266.662-392.416 1.00 0.00 ATOM 631 O LEU 83 -3.074 266.788-389.448 1.00 0.00 ATOM 632 C LEU 83 -2.043 266.741-390.124 1.00 0.00 ATOM 633 N LYS 84 -1.341 267.813-390.477 1.00 0.00 ATOM 634 CA LYS 84 -1.834 269.146-390.211 1.00 0.00 ATOM 635 CB LYS 84 -0.881 269.892-389.275 1.00 0.00 ATOM 636 CG LYS 84 -1.320 271.310-388.945 1.00 0.00 ATOM 637 CD LYS 84 -0.360 271.971-387.969 1.00 0.00 ATOM 638 CE LYS 84 -0.789 273.393-387.652 1.00 0.00 ATOM 639 NZ LYS 84 0.136 274.051-386.687 1.00 0.00 ATOM 640 O LYS 84 -0.929 270.070-392.247 1.00 0.00 ATOM 641 C LYS 84 -1.919 269.842-391.548 1.00 0.00 ATOM 642 N GLN 85 -3.166 270.145-391.891 1.00 0.00 ATOM 643 CA GLN 85 -3.444 270.904-393.091 1.00 0.00 ATOM 644 CB GLN 85 -4.906 270.734-393.506 1.00 0.00 ATOM 645 CG GLN 85 -5.278 269.314-393.897 1.00 0.00 ATOM 646 CD GLN 85 -6.748 269.168-394.239 1.00 0.00 ATOM 647 OE1 GLN 85 -7.511 270.131-394.163 1.00 0.00 ATOM 648 NE2 GLN 85 -7.150 267.961-394.616 1.00 0.00 ATOM 649 O GLN 85 -3.547 272.821-391.661 1.00 0.00 ATOM 650 C GLN 85 -3.146 272.345-392.726 1.00 0.00 ATOM 651 N ARG 86 -2.375 273.017-393.577 1.00 0.00 ATOM 652 CA ARG 86 -2.049 274.411-393.330 1.00 0.00 ATOM 653 CB ARG 86 -0.779 274.807-394.088 1.00 0.00 ATOM 654 CG ARG 86 -0.262 276.195-393.747 1.00 0.00 ATOM 655 CD ARG 86 0.231 276.262-392.311 1.00 0.00 ATOM 656 NE ARG 86 0.747 277.586-391.973 1.00 0.00 ATOM 657 CZ ARG 86 1.085 277.963-390.742 1.00 0.00 ATOM 658 NH1 ARG 86 1.547 279.189-390.530 1.00 0.00 ATOM 659 NH2 ARG 86 0.959 277.117-389.731 1.00 0.00 ATOM 660 O ARG 86 -3.097 275.937-394.843 1.00 0.00 ATOM 661 C ARG 86 -3.180 275.307-393.789 1.00 0.00 ATOM 662 N SER 87 -4.252 275.331-392.992 1.00 0.00 ATOM 663 CA SER 87 -5.419 276.128-393.316 1.00 0.00 ATOM 664 CB SER 87 -6.627 275.666-392.500 1.00 0.00 ATOM 665 OG SER 87 -7.779 276.429-392.818 1.00 0.00 ATOM 666 O SER 87 -5.327 278.113-391.911 1.00 0.00 ATOM 667 C SER 87 -5.229 277.612-393.034 1.00 0.00 ATOM 668 N PHE 88 -4.887 278.307-394.122 1.00 0.00 ATOM 669 CA PHE 88 -4.692 279.747-394.094 1.00 0.00 ATOM 670 CB PHE 88 -3.314 280.114-394.648 1.00 0.00 ATOM 671 CG PHE 88 -3.052 281.592-394.696 1.00 0.00 ATOM 672 CD1 PHE 88 -2.716 282.288-393.548 1.00 0.00 ATOM 673 CD2 PHE 88 -3.146 282.288-395.888 1.00 0.00 ATOM 674 CE1 PHE 88 -2.474 283.648-393.593 1.00 0.00 ATOM 675 CE2 PHE 88 -2.905 283.648-395.933 1.00 0.00 ATOM 676 CZ PHE 88 -2.572 284.327-394.792 1.00 0.00 ATOM 677 O PHE 88 -6.106 279.968-396.027 1.00 0.00 ATOM 678 C PHE 88 -5.754 280.435-394.938 1.00 0.00 ATOM 679 N GLU 89 -6.272 281.555-394.430 1.00 0.00 ATOM 680 CA GLU 89 -7.276 282.298-395.166 1.00 0.00 ATOM 681 CB GLU 89 -8.062 283.212-394.223 1.00 0.00 ATOM 682 CG GLU 89 -8.854 282.471-393.159 1.00 0.00 ATOM 683 CD GLU 89 -9.578 283.410-392.212 1.00 0.00 ATOM 684 OE1 GLU 89 -9.418 284.640-392.358 1.00 0.00 ATOM 685 OE2 GLU 89 -10.304 282.914-391.326 1.00 0.00 ATOM 686 O GLU 89 -5.451 283.452-396.266 1.00 0.00 ATOM 687 C GLU 89 -6.652 283.171-396.249 1.00 0.00 ATOM 688 N THR 90 -7.506 283.573-397.187 1.00 0.00 ATOM 689 CA THR 90 -7.108 284.446-398.276 1.00 0.00 ATOM 690 CB THR 90 -7.096 283.699-399.622 1.00 0.00 ATOM 691 CG2 THR 90 -6.102 282.548-399.587 1.00 0.00 ATOM 692 OG1 THR 90 -8.403 283.173-399.892 1.00 0.00 ATOM 693 O THR 90 -7.976 286.557-397.589 1.00 0.00 ATOM 694 C THR 90 -8.113 285.587-398.335 1.00 0.00 ATOM 695 N ARG 91 -9.130 285.523-399.198 1.00 0.00 ATOM 696 CA ARG 91 -10.183 286.515-399.265 1.00 0.00 ATOM 697 CB ARG 91 -10.276 287.103-400.675 1.00 0.00 ATOM 698 CG ARG 91 -9.007 287.794-401.146 1.00 0.00 ATOM 699 CD ARG 91 -9.164 288.332-402.559 1.00 0.00 ATOM 700 NE ARG 91 -7.945 288.981-403.033 1.00 0.00 ATOM 701 CZ ARG 91 -7.783 289.456-404.264 1.00 0.00 ATOM 702 NH1 ARG 91 -6.640 290.031-404.607 1.00 0.00 ATOM 703 NH2 ARG 91 -8.765 289.354-405.149 1.00 0.00 ATOM 704 O ARG 91 -12.085 285.089-399.714 1.00 0.00 ATOM 705 C ARG 91 -11.439 285.745-398.892 1.00 0.00 ATOM 706 N GLU 92 -11.697 285.809-397.576 1.00 0.00 ATOM 707 CA GLU 92 -12.784 285.167-396.837 1.00 0.00 ATOM 708 CB GLU 92 -14.118 285.380-397.556 1.00 0.00 ATOM 709 CG GLU 92 -14.582 286.827-397.583 1.00 0.00 ATOM 710 CD GLU 92 -15.879 287.009-398.346 1.00 0.00 ATOM 711 OE1 GLU 92 -16.388 286.011-398.899 1.00 0.00 ATOM 712 OE2 GLU 92 -16.387 288.149-398.394 1.00 0.00 ATOM 713 O GLU 92 -12.632 283.180-395.533 1.00 0.00 ATOM 714 C GLU 92 -12.618 283.657-396.672 1.00 0.00 ATOM 715 N GLY 93 -12.448 282.873-397.747 1.00 0.00 ATOM 716 CA GLY 93 -12.324 281.422-397.655 1.00 0.00 ATOM 717 O GLY 93 -10.179 281.616-396.591 1.00 0.00 ATOM 718 C GLY 93 -10.955 280.890-397.215 1.00 0.00 ATOM 719 N GLU 94 -10.620 279.627-397.526 1.00 0.00 ATOM 720 CA GLU 94 -9.391 278.988-397.054 1.00 0.00 ATOM 721 CB GLU 94 -9.653 278.208-395.763 1.00 0.00 ATOM 722 CG GLU 94 -10.638 277.061-395.920 1.00 0.00 ATOM 723 CD GLU 94 -10.909 276.343-394.612 1.00 0.00 ATOM 724 OE1 GLU 94 -10.340 276.755-393.580 1.00 0.00 ATOM 725 OE2 GLU 94 -11.692 275.370-394.620 1.00 0.00 ATOM 726 O GLU 94 -9.468 277.440-398.897 1.00 0.00 ATOM 727 C GLU 94 -8.770 277.988-398.041 1.00 0.00 ATOM 728 N LYS 95 -7.445 277.774-397.959 1.00 0.00 ATOM 729 CA LYS 95 -6.779 276.724-398.734 1.00 0.00 ATOM 730 CB LYS 95 -6.250 277.287-400.055 1.00 0.00 ATOM 731 CG LYS 95 -5.165 278.340-399.892 1.00 0.00 ATOM 732 CD LYS 95 -4.700 278.865-401.240 1.00 0.00 ATOM 733 CE LYS 95 -3.611 279.915-401.077 1.00 0.00 ATOM 734 NZ LYS 95 -3.154 280.447-402.389 1.00 0.00 ATOM 735 O LYS 95 -5.052 276.698-397.071 1.00 0.00 ATOM 736 C LYS 95 -5.588 276.104-398.005 1.00 0.00 ATOM 737 N ARG 96 -5.187 274.886-398.422 1.00 0.00 ATOM 738 CA ARG 96 -4.179 274.026-397.808 1.00 0.00 ATOM 739 CB ARG 96 -4.378 272.573-398.245 1.00 0.00 ATOM 740 CG ARG 96 -5.667 271.944-397.739 1.00 0.00 ATOM 741 CD ARG 96 -5.810 270.511-398.227 1.00 0.00 ATOM 742 NE ARG 96 -7.053 269.897-397.765 1.00 0.00 ATOM 743 CZ ARG 96 -7.466 268.686-398.124 1.00 0.00 ATOM 744 NH1 ARG 96 -8.610 268.210-397.654 1.00 0.00 ATOM 745 NH2 ARG 96 -6.733 267.954-398.953 1.00 0.00 ATOM 746 O ARG 96 -2.241 274.721-399.141 1.00 0.00 ATOM 747 C ARG 96 -2.688 274.270-398.075 1.00 0.00 ATOM 748 N THR 97 -1.923 273.923-397.029 1.00 0.00 ATOM 749 CA THR 97 -0.465 274.008-396.992 1.00 0.00 ATOM 750 CB THR 97 0.007 275.373-396.458 1.00 0.00 ATOM 751 CG2 THR 97 1.525 275.468-396.503 1.00 0.00 ATOM 752 OG1 THR 97 -0.546 276.422-397.264 1.00 0.00 ATOM 753 O THR 97 0.473 273.041-394.967 1.00 0.00 ATOM 754 C THR 97 -0.109 272.855-396.042 1.00 0.00 ATOM 755 N VAL 98 -0.477 271.633-396.428 1.00 0.00 ATOM 756 CA VAL 98 -0.319 270.483-395.569 1.00 0.00 ATOM 757 CB VAL 98 -1.040 269.248-396.140 1.00 0.00 ATOM 758 CG1 VAL 98 -0.762 268.024-395.282 1.00 0.00 ATOM 759 CG2 VAL 98 -2.542 269.479-396.177 1.00 0.00 ATOM 760 O VAL 98 1.917 269.755-396.164 1.00 0.00 ATOM 761 C VAL 98 1.077 269.965-395.281 1.00 0.00 ATOM 762 N ILE 99 1.260 269.775-393.959 1.00 0.00 ATOM 763 CA ILE 99 2.489 269.165-393.440 1.00 0.00 ATOM 764 CB ILE 99 3.469 270.200-392.870 1.00 0.00 ATOM 765 CG1 ILE 99 2.940 270.897-391.610 1.00 0.00 ATOM 766 CG2 ILE 99 3.876 271.238-393.919 1.00 0.00 ATOM 767 CD1 ILE 99 4.012 271.764-390.964 1.00 0.00 ATOM 768 O ILE 99 1.061 268.355-391.683 1.00 0.00 ATOM 769 C ILE 99 2.118 268.186-392.329 1.00 0.00 ATOM 770 N GLU 100 2.935 267.179-392.091 1.00 0.00 ATOM 771 CA GLU 100 2.664 266.234-391.018 1.00 0.00 ATOM 772 CB GLU 100 3.079 264.820-391.431 1.00 0.00 ATOM 773 CG GLU 100 2.805 263.759-390.380 1.00 0.00 ATOM 774 CD GLU 100 3.180 262.366-390.844 1.00 0.00 ATOM 775 OE1 GLU 100 3.660 262.231-391.989 1.00 0.00 ATOM 776 OE2 GLU 100 2.996 261.408-390.062 1.00 0.00 ATOM 777 O GLU 100 4.729 267.011-389.991 1.00 0.00 ATOM 778 C GLU 100 3.533 266.799-389.870 1.00 0.00 ATOM 779 N VAL 101 2.980 267.215-388.742 1.00 0.00 ATOM 780 CA VAL 101 3.799 267.732-387.668 1.00 0.00 ATOM 781 CB VAL 101 3.054 268.810-386.859 1.00 0.00 ATOM 782 CG1 VAL 101 3.915 269.301-385.705 1.00 0.00 ATOM 783 CG2 VAL 101 2.710 269.998-387.745 1.00 0.00 ATOM 784 O VAL 101 3.322 266.095-385.973 1.00 0.00 ATOM 785 C VAL 101 4.173 266.589-386.726 1.00 0.00 ATOM 786 N GLU 102 5.407 266.104-386.705 1.00 0.00 ATOM 787 CA GLU 102 5.811 265.000-385.794 1.00 0.00 ATOM 788 CB GLU 102 7.271 264.611-386.040 1.00 0.00 ATOM 789 CG GLU 102 7.745 263.426-385.214 1.00 0.00 ATOM 790 CD GLU 102 9.178 263.037-385.522 1.00 0.00 ATOM 791 OE1 GLU 102 9.802 263.698-386.380 1.00 0.00 ATOM 792 OE2 GLU 102 9.678 262.073-384.904 1.00 0.00 ATOM 793 O GLU 102 6.306 266.053-383.615 1.00 0.00 ATOM 794 C GLU 102 5.778 265.121-384.230 1.00 0.00 ATOM 795 N VAL 103 5.230 264.013-383.659 1.00 0.00 ATOM 796 CA VAL 103 5.145 263.822-382.201 1.00 0.00 ATOM 797 CB VAL 103 4.449 262.461-381.936 1.00 0.00 ATOM 798 CG1 VAL 103 4.432 262.100-380.449 1.00 0.00 ATOM 799 CG2 VAL 103 3.075 262.617-382.597 1.00 0.00 ATOM 800 O VAL 103 6.586 264.751-380.579 1.00 0.00 ATOM 801 C VAL 103 6.494 263.937-381.546 1.00 0.00 ATOM 802 N ASP 104 7.473 263.217-382.026 1.00 0.00 ATOM 803 CA ASP 104 8.871 263.202-381.450 1.00 0.00 ATOM 804 CB ASP 104 9.698 262.175-382.188 1.00 0.00 ATOM 805 CG ASP 104 9.405 260.711-382.143 1.00 0.00 ATOM 806 OD1 ASP 104 9.690 259.966-381.177 1.00 0.00 ATOM 807 OD2 ASP 104 8.927 260.036-383.111 1.00 0.00 ATOM 808 O ASP 104 9.930 265.049-380.309 1.00 0.00 ATOM 809 C ASP 104 9.452 264.613-381.396 1.00 0.00 ATOM 810 N GLU 105 9.385 265.335-382.511 1.00 0.00 ATOM 811 CA GLU 105 9.808 266.723-382.567 1.00 0.00 ATOM 812 CB GLU 105 9.895 267.232-384.010 1.00 0.00 ATOM 813 CG GLU 105 8.581 267.365-384.730 1.00 0.00 ATOM 814 CD GLU 105 7.856 266.129-385.182 1.00 0.00 ATOM 815 OE1 GLU 105 8.347 264.982-385.090 1.00 0.00 ATOM 816 OE2 GLU 105 6.707 266.307-385.666 1.00 0.00 ATOM 817 O GLU 105 9.390 268.763-381.348 1.00 0.00 ATOM 818 C GLU 105 8.957 267.661-381.723 1.00 0.00 ATOM 819 N ILE 106 7.755 267.218-381.362 1.00 0.00 ATOM 820 CA ILE 106 6.858 268.016-380.527 1.00 0.00 ATOM 821 CB ILE 106 5.442 268.158-381.014 1.00 0.00 ATOM 822 CG1 ILE 106 5.349 268.834-382.358 1.00 0.00 ATOM 823 CG2 ILE 106 4.606 268.852-379.938 1.00 0.00 ATOM 824 CD1 ILE 106 3.952 268.895-382.949 1.00 0.00 ATOM 825 O ILE 106 6.494 266.069-379.137 1.00 0.00 ATOM 826 C ILE 106 6.974 267.188-379.250 1.00 0.00 ATOM 827 N GLY 107 7.702 267.772-378.270 1.00 0.00 ATOM 828 CA GLY 107 7.944 267.050-377.021 1.00 0.00 ATOM 829 O GLY 107 8.679 269.194-376.167 1.00 0.00 ATOM 830 C GLY 107 8.552 267.989-375.983 1.00 0.00 ATOM 831 N PRO 108 8.972 267.304-374.790 1.00 0.00 ATOM 832 CA PRO 108 9.606 268.080-373.715 1.00 0.00 ATOM 833 CB PRO 108 10.227 267.014-372.807 1.00 0.00 ATOM 834 CG PRO 108 9.336 265.829-372.960 1.00 0.00 ATOM 835 CD PRO 108 8.917 265.805-374.404 1.00 0.00 ATOM 836 O PRO 108 10.615 270.261-373.733 1.00 0.00 ATOM 837 C PRO 108 10.706 269.092-374.077 1.00 0.00 ATOM 838 N SER 109 11.739 268.662-374.788 1.00 0.00 ATOM 839 CA SER 109 12.832 269.533-375.179 1.00 0.00 ATOM 840 CB SER 109 13.905 268.741-375.928 1.00 0.00 ATOM 841 OG SER 109 14.527 267.793-375.080 1.00 0.00 ATOM 842 O SER 109 12.716 271.805-376.021 1.00 0.00 ATOM 843 C SER 109 12.329 270.644-376.089 1.00 0.00 ATOM 844 N LEU 110 11.453 270.288-376.983 1.00 0.00 ATOM 845 CA LEU 110 10.871 271.235-377.928 1.00 0.00 ATOM 846 CB LEU 110 11.751 271.360-379.173 1.00 0.00 ATOM 847 CG LEU 110 11.218 272.255-380.292 1.00 0.00 ATOM 848 CD1 LEU 110 11.102 273.696-379.817 1.00 0.00 ATOM 849 CD2 LEU 110 12.149 272.227-381.495 1.00 0.00 ATOM 850 O LEU 110 9.193 269.553-378.284 1.00 0.00 ATOM 851 C LEU 110 9.485 270.747-378.343 1.00 0.00 ATOM 852 N ARG 111 8.633 271.680-378.757 1.00 0.00 ATOM 853 CA ARG 111 7.276 271.353-379.176 1.00 0.00 ATOM 854 CB ARG 111 6.278 271.667-378.061 1.00 0.00 ATOM 855 CG ARG 111 6.226 273.134-377.670 1.00 0.00 ATOM 856 CD ARG 111 5.250 273.366-376.528 1.00 0.00 ATOM 857 NE ARG 111 5.209 274.770-376.120 1.00 0.00 ATOM 858 CZ ARG 111 4.431 275.244-375.152 1.00 0.00 ATOM 859 NH1 ARG 111 4.459 276.535-374.851 1.00 0.00 ATOM 860 NH2 ARG 111 3.625 274.427-374.487 1.00 0.00 ATOM 861 O ARG 111 7.450 273.173-380.735 1.00 0.00 ATOM 862 C ARG 111 6.855 272.144-380.410 1.00 0.00 ATOM 863 N TYR 112 5.812 271.647-381.076 1.00 0.00 ATOM 864 CA TYR 112 5.304 272.317-382.276 1.00 0.00 ATOM 865 CB TYR 112 4.081 271.578-382.826 1.00 0.00 ATOM 866 CG TYR 112 3.465 272.232-384.041 1.00 0.00 ATOM 867 CD1 TYR 112 4.044 272.088-385.295 1.00 0.00 ATOM 868 CD2 TYR 112 2.308 272.991-383.932 1.00 0.00 ATOM 869 CE1 TYR 112 3.488 272.681-386.414 1.00 0.00 ATOM 870 CE2 TYR 112 1.738 273.594-385.038 1.00 0.00 ATOM 871 CZ TYR 112 2.340 273.432-386.286 1.00 0.00 ATOM 872 OH TYR 112 1.785 274.024-387.397 1.00 0.00 ATOM 873 O TYR 112 5.246 274.708-382.611 1.00 0.00 ATOM 874 C TYR 112 4.908 273.742-381.919 1.00 0.00 ATOM 875 N ALA 113 4.160 273.918-380.824 1.00 0.00 ATOM 876 CA ALA 113 3.696 275.233-380.436 1.00 0.00 ATOM 877 CB ALA 113 2.909 275.161-379.129 1.00 0.00 ATOM 878 O ALA 113 4.741 277.373-380.598 1.00 0.00 ATOM 879 C ALA 113 4.852 276.213-380.235 1.00 0.00 ATOM 880 N THR 114 5.958 275.775-379.659 1.00 0.00 ATOM 881 CA THR 114 7.107 276.663-379.442 1.00 0.00 ATOM 882 CB THR 114 8.297 275.905-378.826 1.00 0.00 ATOM 883 CG2 THR 114 9.499 276.823-378.701 1.00 0.00 ATOM 884 OG1 THR 114 7.947 275.418-377.528 1.00 0.00 ATOM 885 O THR 114 7.919 278.459-380.819 1.00 0.00 ATOM 886 C THR 114 7.583 277.282-380.763 1.00 0.00 ATOM 887 N ALA 115 7.549 276.482-381.827 1.00 0.00 ATOM 888 CA ALA 115 7.912 277.021-383.161 1.00 0.00 ATOM 889 CB ALA 115 7.934 275.866-384.171 1.00 0.00 ATOM 890 O ALA 115 5.708 277.964-383.297 1.00 0.00 ATOM 891 C ALA 115 6.903 278.086-383.608 1.00 0.00 TER END ################################ # # # END # # # ################################