From mailer@bialko.llnl.gov Mon Aug 12 11:24:49 2002 Date: Mon, 12 Aug 2002 11:24:44 -0700 (PDT) From: Automatic Reply To: karplus@bray.cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 12 10:56:56 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_691862_20859 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169SS001_1 Current information on models submitted in prediction T0169SS001 MODEL_INDEX PIN CODE DATE E-mail T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 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: 156 # Number of residues with nonzero confidence: 156 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0169 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0169.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0169.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0169.t2k.str.rdb (weight 1.53983) METHOD T0169.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 T0169.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ METHOD Comments from T0169.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ METHOD Comments from T0169.t2k.str.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ METHOD Comments from T0169.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0169 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 T0169.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 246 METHOD METHOD ============================================ MODEL 1 M C 0.87 D E 0.50 I E 0.62 R E 0.54 T C 0.55 I C 0.80 T C 0.89 S H 0.64 S H 0.64 D H 0.68 Y H 0.90 E H 0.92 M H 0.93 V H 0.95 T H 0.95 S H 0.94 V H 0.93 L H 0.91 N H 0.83 E H 0.71 W C 0.48 W C 0.75 G C 0.74 G C 0.69 R C 0.61 Q C 0.49 L H 0.52 K H 0.67 E H 0.83 K H 0.87 L H 0.89 P H 0.91 R H 0.92 L H 0.91 F H 0.90 F H 0.84 E H 0.66 H C 0.64 F C 0.80 Q C 0.82 D C 0.81 T C 0.52 S E 0.85 F E 0.92 I E 0.92 T E 0.91 S E 0.84 E E 0.59 H C 0.92 N C 0.92 S E 0.77 M E 0.91 T E 0.88 G E 0.92 F E 0.93 L E 0.93 I E 0.92 G E 0.88 F E 0.80 Q E 0.58 S C 0.70 Q C 0.77 S C 0.78 D C 0.74 P C 0.72 E C 0.60 T E 0.70 A E 0.84 Y E 0.88 I E 0.90 H E 0.84 F E 0.88 S E 0.87 G E 0.89 V E 0.77 H C 0.68 P H 0.61 D H 0.62 F H 0.72 R C 0.55 K C 0.71 M C 0.70 Q C 0.68 I H 0.65 G H 0.87 K H 0.95 Q H 0.96 L H 0.96 Y H 0.96 D H 0.96 V H 0.96 F H 0.96 I H 0.96 E H 0.96 T H 0.95 V H 0.95 K H 0.94 Q H 0.83 R C 0.72 G C 0.95 C C 0.88 T C 0.57 R E 0.89 V E 0.92 K E 0.92 C E 0.89 V E 0.81 T E 0.61 S C 0.72 P C 0.81 V C 0.82 N C 0.71 K H 0.83 V H 0.92 S H 0.95 I H 0.96 A H 0.96 Y H 0.96 H H 0.95 T H 0.93 K H 0.83 L C 0.57 G C 0.92 F C 0.77 D E 0.65 I E 0.77 E E 0.75 K E 0.73 G E 0.76 T E 0.77 K E 0.68 T C 0.51 V C 0.68 N C 0.78 G C 0.69 I C 0.49 S E 0.64 V E 0.71 F E 0.69 A E 0.64 N E 0.53 Y C 0.57 D C 0.80 G C 0.87 P C 0.83 G C 0.66 Q C 0.53 D C 0.41 R H 0.45 V E 0.47 L E 0.50 F E 0.48 V E 0.44 K C 0.43 N C 0.72 I C 0.92 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:28:08 2002 Date: Thu, 5 Sep 2002 15:28:02 -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 Sep 5 14:59:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_824833_42048 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_1 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 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: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 1 PARENT N/A ATOM 1 N MET 1 -5.933 -12.711 11.403 1.00 0.00 ATOM 2 CA MET 1 -5.483 -12.151 12.621 1.00 0.00 ATOM 3 CB MET 1 -6.762 -12.848 13.601 1.00 0.00 ATOM 4 CG MET 1 -6.234 -14.029 14.399 1.00 0.00 ATOM 5 SD MET 1 -5.603 -15.352 13.348 1.00 0.00 ATOM 6 CE MET 1 -3.854 -15.279 13.725 1.00 0.00 ATOM 7 O MET 1 -3.487 -11.363 13.625 1.00 0.00 ATOM 8 C MET 1 -4.025 -11.739 12.571 1.00 0.00 ATOM 9 N ASP 2 -3.405 -11.788 11.385 1.00 0.00 ATOM 10 CA ASP 2 -2.007 -11.436 11.233 1.00 0.00 ATOM 11 CB ASP 2 -1.132 -12.662 11.483 1.00 0.00 ATOM 12 CG ASP 2 0.324 -12.304 11.771 1.00 0.00 ATOM 13 OD1 ASP 2 0.657 -11.103 11.930 1.00 0.00 ATOM 14 OD2 ASP 2 1.140 -13.247 11.841 1.00 0.00 ATOM 15 O ASP 2 -2.646 -10.996 8.956 1.00 0.00 ATOM 16 C ASP 2 -1.765 -10.945 9.820 1.00 0.00 ATOM 17 N ILE 3 -0.559 -10.462 9.607 1.00 0.00 ATOM 18 CA ILE 3 -0.157 -9.996 8.265 1.00 0.00 ATOM 19 CB ILE 3 0.226 -8.483 8.289 1.00 0.00 ATOM 20 CG1 ILE 3 -1.063 -7.650 8.306 1.00 0.00 ATOM 21 CG2 ILE 3 1.067 -8.080 7.044 1.00 0.00 ATOM 22 CD1 ILE 3 -0.862 -6.181 8.568 1.00 0.00 ATOM 23 O ILE 3 1.853 -11.196 8.810 1.00 0.00 ATOM 24 C ILE 3 1.093 -10.764 7.917 1.00 0.00 ATOM 25 N ARG 4 1.316 -11.007 6.640 1.00 0.00 ATOM 26 CA ARG 4 2.464 -11.743 6.163 1.00 0.00 ATOM 27 CB ARG 4 2.136 -13.205 5.959 1.00 0.00 ATOM 28 CG ARG 4 0.905 -13.454 5.085 1.00 0.00 ATOM 29 CD ARG 4 0.449 -14.901 5.286 1.00 0.00 ATOM 30 NE ARG 4 1.457 -15.839 4.796 1.00 0.00 ATOM 31 CZ ARG 4 1.360 -17.157 4.916 1.00 0.00 ATOM 32 NH1 ARG 4 0.336 -17.691 5.563 1.00 0.00 ATOM 33 NH2 ARG 4 2.283 -17.955 4.383 1.00 0.00 ATOM 34 O ARG 4 1.938 -10.635 4.097 1.00 0.00 ATOM 35 C ARG 4 2.745 -11.323 4.709 1.00 0.00 ATOM 36 N THR 5 3.886 -11.739 4.176 1.00 0.00 ATOM 37 CA THR 5 4.223 -11.470 2.781 1.00 0.00 ATOM 38 CB THR 5 5.670 -11.895 2.460 1.00 0.00 ATOM 39 CG2 THR 5 6.657 -11.119 3.319 1.00 0.00 ATOM 40 OG1 THR 5 5.828 -13.293 2.719 1.00 0.00 ATOM 41 O THR 5 2.754 -13.308 2.244 1.00 0.00 ATOM 42 C THR 5 3.271 -12.252 1.878 1.00 0.00 ATOM 43 N ILE 6 3.068 -11.733 0.675 1.00 0.00 ATOM 44 CA ILE 6 2.209 -12.371 -0.282 1.00 0.00 ATOM 45 CB ILE 6 2.143 -11.601 -1.639 1.00 0.00 ATOM 46 CG1 ILE 6 1.520 -10.210 -1.441 1.00 0.00 ATOM 47 CG2 ILE 6 1.363 -12.414 -2.683 1.00 0.00 ATOM 48 CD1 ILE 6 0.051 -10.224 -1.081 1.00 0.00 ATOM 49 O ILE 6 4.039 -13.850 -0.735 1.00 0.00 ATOM 50 C ILE 6 2.832 -13.689 -0.737 1.00 0.00 ATOM 51 N THR 7 2.005 -14.638 -1.142 1.00 0.00 ATOM 52 CA THR 7 2.538 -15.913 -1.607 1.00 0.00 ATOM 53 CB THR 7 2.256 -17.046 -0.602 1.00 0.00 ATOM 54 CG2 THR 7 2.845 -16.709 0.757 1.00 0.00 ATOM 55 OG1 THR 7 0.841 -17.225 -0.467 1.00 0.00 ATOM 56 O THR 7 0.850 -15.711 -3.288 1.00 0.00 ATOM 57 C THR 7 1.892 -16.264 -2.929 1.00 0.00 ATOM 58 N SER 8 2.517 -17.199 -3.639 1.00 0.00 ATOM 59 CA SER 8 2.040 -17.677 -4.928 1.00 0.00 ATOM 60 CB SER 8 2.861 -18.882 -5.390 1.00 0.00 ATOM 61 OG SER 8 4.205 -18.519 -5.640 1.00 0.00 ATOM 62 O SER 8 -0.127 -17.870 -5.846 1.00 0.00 ATOM 63 C SER 8 0.599 -18.106 -4.900 1.00 0.00 ATOM 64 N SER 9 0.189 -18.753 -3.814 1.00 0.00 ATOM 65 CA SER 9 -1.200 -19.184 -3.696 1.00 0.00 ATOM 66 CB SER 9 -1.363 -20.143 -2.513 1.00 0.00 ATOM 67 OG SER 9 -1.134 -19.480 -1.284 1.00 0.00 ATOM 68 O SER 9 -3.391 -18.329 -3.502 1.00 0.00 ATOM 69 C SER 9 -2.196 -18.065 -3.472 1.00 0.00 ATOM 70 N ASP 10 -1.740 -16.819 -3.261 1.00 0.00 ATOM 71 CA ASP 10 -2.692 -15.701 -3.031 1.00 0.00 ATOM 72 CB ASP 10 -1.991 -14.529 -2.340 1.00 0.00 ATOM 73 CG ASP 10 -1.616 -14.840 -0.905 1.00 0.00 ATOM 74 OD1 ASP 10 -1.616 -13.904 -0.076 1.00 0.00 ATOM 75 OD2 ASP 10 -1.321 -16.017 -0.609 1.00 0.00 ATOM 76 O ASP 10 -4.153 -14.269 -4.285 1.00 0.00 ATOM 77 C ASP 10 -3.317 -15.144 -4.343 1.00 0.00 ATOM 78 N TYR 11 -2.937 -15.651 -5.511 1.00 0.00 ATOM 79 CA TYR 11 -3.470 -15.072 -6.754 1.00 0.00 ATOM 80 CB TYR 11 -3.295 -16.076 -7.905 1.00 0.00 ATOM 81 CG TYR 11 -3.900 -15.603 -9.202 1.00 0.00 ATOM 82 CD1 TYR 11 -3.190 -14.765 -10.056 1.00 0.00 ATOM 83 CD2 TYR 11 -5.200 -15.944 -9.544 1.00 0.00 ATOM 84 CE1 TYR 11 -3.765 -14.277 -11.208 1.00 0.00 ATOM 85 CE2 TYR 11 -5.781 -15.455 -10.691 1.00 0.00 ATOM 86 CZ TYR 11 -5.060 -14.621 -11.520 1.00 0.00 ATOM 87 OH TYR 11 -5.642 -14.111 -12.661 1.00 0.00 ATOM 88 O TYR 11 -5.290 -13.581 -7.056 1.00 0.00 ATOM 89 C TYR 11 -4.954 -14.710 -6.828 1.00 0.00 ATOM 90 N GLU 12 -5.844 -15.667 -6.651 1.00 0.00 ATOM 91 CA GLU 12 -7.275 -15.402 -6.699 1.00 0.00 ATOM 92 CB GLU 12 -8.066 -16.639 -6.272 1.00 0.00 ATOM 93 CG GLU 12 -9.574 -16.456 -6.305 1.00 0.00 ATOM 94 CD GLU 12 -10.322 -17.720 -5.926 1.00 0.00 ATOM 95 OE1 GLU 12 -9.660 -18.736 -5.630 1.00 0.00 ATOM 96 OE2 GLU 12 -11.570 -17.691 -5.920 1.00 0.00 ATOM 97 O GLU 12 -8.252 -13.287 -6.268 1.00 0.00 ATOM 98 C GLU 12 -7.702 -14.277 -5.801 1.00 0.00 ATOM 99 N MET 13 -7.454 -14.439 -4.504 1.00 0.00 ATOM 100 CA MET 13 -7.886 -13.452 -3.532 1.00 0.00 ATOM 101 CB MET 13 -7.480 -14.008 -2.100 1.00 0.00 ATOM 102 CG MET 13 -8.134 -15.316 -1.666 1.00 0.00 ATOM 103 SD MET 13 -7.971 -15.635 0.095 1.00 0.00 ATOM 104 CE MET 13 -6.469 -16.380 0.159 1.00 0.00 ATOM 105 O MET 13 -8.038 -11.092 -3.407 1.00 0.00 ATOM 106 C MET 13 -7.329 -12.052 -3.645 1.00 0.00 ATOM 107 N VAL 14 -6.064 -11.963 -4.017 1.00 0.00 ATOM 108 CA VAL 14 -5.344 -10.721 -4.199 1.00 0.00 ATOM 109 CB VAL 14 -3.815 -10.873 -4.363 1.00 0.00 ATOM 110 CG1 VAL 14 -3.430 -11.532 -5.676 1.00 0.00 ATOM 111 CG2 VAL 14 -3.129 -9.525 -4.233 1.00 0.00 ATOM 112 O VAL 14 -6.135 -8.839 -5.401 1.00 0.00 ATOM 113 C VAL 14 -5.865 -10.024 -5.440 1.00 0.00 ATOM 114 N THR 15 -6.026 -10.737 -6.544 1.00 0.00 ATOM 115 CA THR 15 -6.560 -10.064 -7.730 1.00 0.00 ATOM 116 CB THR 15 -6.635 -11.019 -8.935 1.00 0.00 ATOM 117 CG2 THR 15 -7.234 -10.310 -10.138 1.00 0.00 ATOM 118 OG1 THR 15 -5.318 -11.474 -9.271 1.00 0.00 ATOM 119 O THR 15 -8.383 -8.469 -7.806 1.00 0.00 ATOM 120 C THR 15 -7.954 -9.568 -7.395 1.00 0.00 ATOM 121 N SER 16 -8.672 -10.361 -6.617 1.00 0.00 ATOM 122 CA SER 16 -10.004 -9.968 -6.244 1.00 0.00 ATOM 123 CB SER 16 -10.685 -11.078 -5.443 1.00 0.00 ATOM 124 OG SER 16 -10.891 -12.232 -6.242 1.00 0.00 ATOM 125 O SER 16 -10.829 -7.808 -5.598 1.00 0.00 ATOM 126 C SER 16 -10.004 -8.695 -5.372 1.00 0.00 ATOM 127 N VAL 17 -9.107 -8.563 -4.393 1.00 0.00 ATOM 128 CA VAL 17 -9.178 -7.338 -3.596 1.00 0.00 ATOM 129 CB VAL 17 -7.928 -7.495 -2.475 1.00 0.00 ATOM 130 CG1 VAL 17 -7.990 -6.645 -1.203 1.00 0.00 ATOM 131 CG2 VAL 17 -7.582 -8.928 -2.080 1.00 0.00 ATOM 132 O VAL 17 -8.951 -4.990 -4.027 1.00 0.00 ATOM 133 C VAL 17 -8.550 -6.120 -4.299 1.00 0.00 ATOM 134 N LEU 18 -7.633 -6.363 -5.249 1.00 0.00 ATOM 135 CA LEU 18 -6.985 -5.295 -6.011 1.00 0.00 ATOM 136 CB LEU 18 -5.611 -5.898 -6.462 1.00 0.00 ATOM 137 CG LEU 18 -4.830 -5.068 -7.484 1.00 0.00 ATOM 138 CD1 LEU 18 -4.342 -3.755 -6.868 1.00 0.00 ATOM 139 CD2 LEU 18 -3.678 -5.890 -8.038 1.00 0.00 ATOM 140 O LEU 18 -7.760 -3.543 -7.427 1.00 0.00 ATOM 141 C LEU 18 -7.958 -4.682 -6.995 1.00 0.00 ATOM 142 N ASN 19 -9.004 -5.439 -7.340 1.00 0.00 ATOM 143 CA ASN 19 -10.013 -4.955 -8.284 1.00 0.00 ATOM 144 CB ASN 19 -11.108 -6.005 -8.482 1.00 0.00 ATOM 145 CG ASN 19 -12.073 -5.639 -9.591 1.00 0.00 ATOM 146 ND2 ASN 19 -13.343 -5.479 -9.240 1.00 0.00 ATOM 147 OD1 ASN 19 -11.677 -5.504 -10.750 1.00 0.00 ATOM 148 O ASN 19 -11.111 -2.836 -8.510 1.00 0.00 ATOM 149 C ASN 19 -10.653 -3.678 -7.759 1.00 0.00 ATOM 150 N GLU 20 -10.701 -3.571 -6.453 1.00 0.00 ATOM 151 CA GLU 20 -11.283 -2.430 -5.758 1.00 0.00 ATOM 152 CB GLU 20 -11.459 -2.784 -4.268 1.00 0.00 ATOM 153 CG GLU 20 -12.126 -1.700 -3.389 1.00 0.00 ATOM 154 CD GLU 20 -13.578 -1.371 -3.748 1.00 0.00 ATOM 155 OE1 GLU 20 -14.241 -0.712 -2.916 1.00 0.00 ATOM 156 OE2 GLU 20 -14.071 -1.736 -4.846 1.00 0.00 ATOM 157 O GLU 20 -10.960 -0.059 -6.070 1.00 0.00 ATOM 158 C GLU 20 -10.474 -1.170 -6.111 1.00 0.00 ATOM 159 N TRP 21 -9.222 -1.369 -6.468 1.00 0.00 ATOM 160 CA TRP 21 -8.350 -0.269 -6.793 1.00 0.00 ATOM 161 CB TRP 21 -6.880 -0.550 -6.427 1.00 0.00 ATOM 162 CG TRP 21 -5.999 0.665 -6.547 1.00 0.00 ATOM 163 CD1 TRP 21 -5.760 1.616 -5.602 1.00 0.00 ATOM 164 CD2 TRP 21 -5.232 1.041 -7.695 1.00 0.00 ATOM 165 CE2 TRP 21 -4.555 2.233 -7.377 1.00 0.00 ATOM 166 CE3 TRP 21 -5.057 0.469 -8.963 1.00 0.00 ATOM 167 NE1 TRP 21 -4.890 2.570 -6.090 1.00 0.00 ATOM 168 CZ2 TRP 21 -3.718 2.871 -8.291 1.00 0.00 ATOM 169 CZ3 TRP 21 -4.227 1.101 -9.869 1.00 0.00 ATOM 170 CH2 TRP 21 -3.570 2.288 -9.521 1.00 0.00 ATOM 171 O TRP 21 -8.633 1.182 -8.664 1.00 0.00 ATOM 172 C TRP 21 -8.466 0.042 -8.278 1.00 0.00 ATOM 173 N TRP 22 -8.400 -0.969 -9.122 1.00 0.00 ATOM 174 CA TRP 22 -8.446 -0.713 -10.541 1.00 0.00 ATOM 175 CB TRP 22 -7.130 -0.013 -11.035 1.00 0.00 ATOM 176 CG TRP 22 -7.365 0.896 -12.224 1.00 0.00 ATOM 177 CD1 TRP 22 -6.827 0.834 -13.472 1.00 0.00 ATOM 178 CD2 TRP 22 -8.242 2.032 -12.243 1.00 0.00 ATOM 179 CE2 TRP 22 -8.181 2.602 -13.524 1.00 0.00 ATOM 180 CE3 TRP 22 -9.070 2.615 -11.275 1.00 0.00 ATOM 181 NE1 TRP 22 -7.303 1.854 -14.274 1.00 0.00 ATOM 182 CZ2 TRP 22 -8.926 3.734 -13.865 1.00 0.00 ATOM 183 CZ3 TRP 22 -9.806 3.736 -11.625 1.00 0.00 ATOM 184 CH2 TRP 22 -9.736 4.293 -12.908 1.00 0.00 ATOM 185 O TRP 22 -9.183 -2.955 -10.786 1.00 0.00 ATOM 186 C TRP 22 -8.632 -2.000 -11.310 1.00 0.00 ATOM 187 N GLY 23 -8.165 -2.012 -12.560 1.00 0.00 ATOM 188 CA GLY 23 -8.255 -3.177 -13.423 1.00 0.00 ATOM 189 O GLY 23 -5.885 -3.624 -13.311 1.00 0.00 ATOM 190 C GLY 23 -7.037 -4.071 -13.227 1.00 0.00 ATOM 191 N GLY 24 -7.291 -5.347 -12.957 1.00 0.00 ATOM 192 CA GLY 24 -6.188 -6.274 -12.735 1.00 0.00 ATOM 193 O GLY 24 -4.762 -7.465 -14.250 1.00 0.00 ATOM 194 C GLY 24 -5.919 -7.152 -13.950 1.00 0.00 ATOM 195 N ARG 25 -6.974 -7.545 -14.653 1.00 0.00 ATOM 196 CA ARG 25 -6.789 -8.355 -15.839 1.00 0.00 ATOM 197 CB ARG 25 -5.595 -7.851 -16.650 1.00 0.00 ATOM 198 CG ARG 25 -5.781 -6.460 -17.235 1.00 0.00 ATOM 199 CD ARG 25 -4.550 -6.016 -18.009 1.00 0.00 ATOM 200 NE ARG 25 -4.707 -4.672 -18.562 1.00 0.00 ATOM 201 CZ ARG 25 -3.748 -4.012 -19.200 1.00 0.00 ATOM 202 NH1 ARG 25 -3.982 -2.794 -19.670 1.00 0.00 ATOM 203 NH2 ARG 25 -2.557 -4.568 -19.369 1.00 0.00 ATOM 204 O ARG 25 -6.649 -10.412 -14.556 1.00 0.00 ATOM 205 C ARG 25 -6.523 -9.841 -15.646 1.00 0.00 ATOM 206 N GLN 26 -6.166 -10.484 -16.747 1.00 0.00 ATOM 207 CA GLN 26 -5.874 -11.913 -16.765 1.00 0.00 ATOM 208 CB GLN 26 -6.010 -12.471 -18.184 1.00 0.00 ATOM 209 CG GLN 26 -5.806 -13.973 -18.280 1.00 0.00 ATOM 210 CD GLN 26 -6.012 -14.501 -19.688 1.00 0.00 ATOM 211 OE1 GLN 26 -6.302 -13.739 -20.609 1.00 0.00 ATOM 212 NE2 GLN 26 -5.870 -15.811 -19.855 1.00 0.00 ATOM 213 O GLN 26 -3.520 -11.494 -16.749 1.00 0.00 ATOM 214 C GLN 26 -4.452 -12.141 -16.277 1.00 0.00 ATOM 215 N LEU 27 -4.264 -13.049 -15.332 1.00 0.00 ATOM 216 CA LEU 27 -2.944 -13.363 -14.820 1.00 0.00 ATOM 217 CB LEU 27 -2.837 -13.054 -13.320 1.00 0.00 ATOM 218 CG LEU 27 -2.855 -11.600 -12.842 1.00 0.00 ATOM 219 CD1 LEU 27 -2.817 -11.556 -11.318 1.00 0.00 ATOM 220 CD2 LEU 27 -1.668 -10.864 -13.390 1.00 0.00 ATOM 221 O LEU 27 -3.786 -15.592 -15.070 1.00 0.00 ATOM 222 C LEU 27 -2.801 -14.874 -14.904 1.00 0.00 ATOM 223 N LYS 28 -1.579 -15.350 -14.809 1.00 0.00 ATOM 224 CA LYS 28 -1.329 -16.793 -14.850 1.00 0.00 ATOM 225 CB LYS 28 -0.708 -17.230 -16.210 1.00 0.00 ATOM 226 CG LYS 28 -1.340 -16.677 -17.489 1.00 0.00 ATOM 227 CD LYS 28 -0.505 -17.039 -18.708 1.00 0.00 ATOM 228 CE LYS 28 -0.697 -16.038 -19.836 1.00 0.00 ATOM 229 NZ LYS 28 -0.195 -14.681 -19.459 1.00 0.00 ATOM 230 O LYS 28 0.355 -16.302 -13.153 1.00 0.00 ATOM 231 C LYS 28 -0.380 -17.173 -13.691 1.00 0.00 ATOM 232 N GLU 29 -0.443 -18.458 -13.345 1.00 0.00 ATOM 233 CA GLU 29 0.451 -19.022 -12.332 1.00 0.00 ATOM 234 CB GLU 29 0.443 -20.551 -12.405 1.00 0.00 ATOM 235 CG GLU 29 -0.869 -21.188 -11.986 1.00 0.00 ATOM 236 CD GLU 29 -0.856 -22.698 -12.120 1.00 0.00 ATOM 237 OE1 GLU 29 0.166 -23.241 -12.590 1.00 0.00 ATOM 238 OE2 GLU 29 -1.864 -23.337 -11.754 1.00 0.00 ATOM 239 O GLU 29 2.641 -18.434 -11.535 1.00 0.00 ATOM 240 C GLU 29 1.891 -18.563 -12.508 1.00 0.00 ATOM 241 N LYS 30 2.296 -18.318 -13.737 1.00 0.00 ATOM 242 CA LYS 30 3.676 -17.896 -13.971 1.00 0.00 ATOM 243 CB LYS 30 4.033 -18.018 -15.454 1.00 0.00 ATOM 244 CG LYS 30 5.469 -17.650 -15.781 1.00 0.00 ATOM 245 CD LYS 30 5.767 -17.846 -17.257 1.00 0.00 ATOM 246 CE LYS 30 7.202 -17.462 -17.585 1.00 0.00 ATOM 247 NZ LYS 30 7.513 -17.659 -19.028 1.00 0.00 ATOM 248 O LYS 30 4.886 -16.133 -12.902 1.00 0.00 ATOM 249 C LYS 30 3.907 -16.455 -13.560 1.00 0.00 ATOM 250 N LEU 31 3.000 -15.589 -13.980 1.00 0.00 ATOM 251 CA LEU 31 3.127 -14.154 -13.622 1.00 0.00 ATOM 252 CB LEU 31 2.298 -13.291 -14.546 1.00 0.00 ATOM 253 CG LEU 31 3.006 -12.810 -15.845 1.00 0.00 ATOM 254 CD1 LEU 31 3.277 -13.974 -16.787 1.00 0.00 ATOM 255 CD2 LEU 31 2.251 -11.655 -16.462 1.00 0.00 ATOM 256 O LEU 31 3.709 -13.382 -11.489 1.00 0.00 ATOM 257 C LEU 31 2.837 -13.950 -12.148 1.00 0.00 ATOM 258 N PRO 32 1.715 -14.349 -11.577 1.00 0.00 ATOM 259 CA PRO 32 1.520 -14.183 -10.136 1.00 0.00 ATOM 260 CB PRO 32 0.130 -14.690 -9.792 1.00 0.00 ATOM 261 CG PRO 32 -0.560 -14.968 -11.132 1.00 0.00 ATOM 262 CD PRO 32 0.513 -14.912 -12.225 1.00 0.00 ATOM 263 O PRO 32 3.033 -14.212 -8.314 1.00 0.00 ATOM 264 C PRO 32 2.625 -14.797 -9.302 1.00 0.00 ATOM 265 N ARG 33 3.120 -15.992 -9.637 1.00 0.00 ATOM 266 CA ARG 33 4.211 -16.604 -8.871 1.00 0.00 ATOM 267 CB ARG 33 4.540 -17.991 -9.425 1.00 0.00 ATOM 268 CG ARG 33 3.470 -19.038 -9.153 1.00 0.00 ATOM 269 CD ARG 33 3.850 -20.383 -9.746 1.00 0.00 ATOM 270 NE ARG 33 2.825 -21.395 -9.509 1.00 0.00 ATOM 271 CZ ARG 33 2.866 -22.631 -10.002 1.00 0.00 ATOM 272 NH1 ARG 33 1.887 -23.484 -9.732 1.00 0.00 ATOM 273 NH2 ARG 33 3.885 -23.010 -10.760 1.00 0.00 ATOM 274 O ARG 33 6.250 -15.649 -8.007 1.00 0.00 ATOM 275 C ARG 33 5.472 -15.737 -8.958 1.00 0.00 ATOM 276 N LEU 34 5.685 -15.118 -10.109 1.00 0.00 ATOM 277 CA LEU 34 6.836 -14.244 -10.273 1.00 0.00 ATOM 278 CB LEU 34 7.012 -13.861 -11.745 1.00 0.00 ATOM 279 CG LEU 34 7.476 -14.978 -12.685 1.00 0.00 ATOM 280 CD1 LEU 34 7.485 -14.497 -14.129 1.00 0.00 ATOM 281 CD2 LEU 34 8.884 -15.429 -12.326 1.00 0.00 ATOM 282 O LEU 34 7.401 -12.535 -8.703 1.00 0.00 ATOM 283 C LEU 34 6.535 -13.019 -9.421 1.00 0.00 ATOM 284 N PHE 35 5.312 -12.504 -9.504 1.00 0.00 ATOM 285 CA PHE 35 4.914 -11.345 -8.707 1.00 0.00 ATOM 286 CB PHE 35 3.246 -11.372 -8.650 1.00 0.00 ATOM 287 CG PHE 35 2.593 -10.006 -8.387 1.00 0.00 ATOM 288 CD1 PHE 35 2.468 -9.094 -9.414 1.00 0.00 ATOM 289 CD2 PHE 35 2.135 -9.686 -7.117 1.00 0.00 ATOM 290 CE1 PHE 35 1.871 -7.848 -9.199 1.00 0.00 ATOM 291 CE2 PHE 35 1.555 -8.453 -6.881 1.00 0.00 ATOM 292 CZ PHE 35 1.449 -7.558 -7.918 1.00 0.00 ATOM 293 O PHE 35 5.495 -10.898 -6.417 1.00 0.00 ATOM 294 C PHE 35 4.989 -11.694 -7.223 1.00 0.00 ATOM 295 N PHE 36 4.481 -12.868 -6.822 1.00 0.00 ATOM 296 CA PHE 36 4.512 -13.264 -5.416 1.00 0.00 ATOM 297 CB PHE 36 3.545 -14.426 -5.183 1.00 0.00 ATOM 298 CG PHE 36 2.106 -14.081 -5.513 1.00 0.00 ATOM 299 CD1 PHE 36 1.572 -14.306 -6.791 1.00 0.00 ATOM 300 CD2 PHE 36 1.288 -13.519 -4.531 1.00 0.00 ATOM 301 CE1 PHE 36 0.218 -13.973 -7.068 1.00 0.00 ATOM 302 CE2 PHE 36 -0.042 -13.185 -4.799 1.00 0.00 ATOM 303 CZ PHE 36 -0.584 -13.414 -6.079 1.00 0.00 ATOM 304 O PHE 36 6.322 -13.245 -3.848 1.00 0.00 ATOM 305 C PHE 36 5.916 -13.616 -4.956 1.00 0.00 ATOM 306 N GLU 37 6.646 -14.346 -5.803 1.00 0.00 ATOM 307 CA GLU 37 8.023 -14.701 -5.500 1.00 0.00 ATOM 308 CB GLU 37 8.702 -15.342 -6.714 1.00 0.00 ATOM 309 CG GLU 37 10.111 -15.790 -6.391 1.00 0.00 ATOM 310 CD GLU 37 10.909 -16.242 -7.602 1.00 0.00 ATOM 311 OE1 GLU 37 10.379 -16.976 -8.459 1.00 0.00 ATOM 312 OE2 GLU 37 12.093 -15.873 -7.667 1.00 0.00 ATOM 313 O GLU 37 9.541 -13.691 -3.917 1.00 0.00 ATOM 314 C GLU 37 8.906 -13.556 -4.969 1.00 0.00 ATOM 315 N HIS 38 8.961 -12.431 -5.667 1.00 0.00 ATOM 316 CA HIS 38 9.794 -11.310 -5.257 1.00 0.00 ATOM 317 CB HIS 38 10.981 -11.146 -6.220 1.00 0.00 ATOM 318 CG HIS 38 12.137 -12.034 -5.872 1.00 0.00 ATOM 319 CD2 HIS 38 12.584 -13.170 -6.468 1.00 0.00 ATOM 320 ND1 HIS 38 12.905 -11.888 -4.731 1.00 0.00 ATOM 321 CE1 HIS 38 13.751 -12.914 -4.658 1.00 0.00 ATOM 322 NE2 HIS 38 13.593 -13.714 -5.690 1.00 0.00 ATOM 323 O HIS 38 9.679 -8.917 -5.051 1.00 0.00 ATOM 324 C HIS 38 9.056 -9.983 -5.043 1.00 0.00 ATOM 325 N PHE 39 7.738 -10.032 -4.857 1.00 0.00 ATOM 326 CA PHE 39 6.982 -8.798 -4.601 1.00 0.00 ATOM 327 CB PHE 39 5.848 -8.463 -4.995 1.00 0.00 ATOM 328 CG PHE 39 6.129 -7.614 -6.234 1.00 0.00 ATOM 329 CD1 PHE 39 7.294 -6.912 -6.446 1.00 0.00 ATOM 330 CD2 PHE 39 5.156 -7.521 -7.227 1.00 0.00 ATOM 331 CE1 PHE 39 7.459 -6.134 -7.570 1.00 0.00 ATOM 332 CE2 PHE 39 5.318 -6.739 -8.351 1.00 0.00 ATOM 333 CZ PHE 39 6.471 -6.023 -8.531 1.00 0.00 ATOM 334 O PHE 39 7.199 -9.237 -2.237 1.00 0.00 ATOM 335 C PHE 39 7.254 -8.393 -3.156 1.00 0.00 ATOM 336 N GLN 40 7.583 -7.131 -2.979 1.00 0.00 ATOM 337 CA GLN 40 7.892 -6.589 -1.631 1.00 0.00 ATOM 338 CB GLN 40 7.985 -4.914 -1.998 1.00 0.00 ATOM 339 CG GLN 40 8.324 -4.507 -3.459 1.00 0.00 ATOM 340 CD GLN 40 9.805 -4.641 -3.746 1.00 0.00 ATOM 341 OE1 GLN 40 10.646 -4.293 -2.902 1.00 0.00 ATOM 342 NE2 GLN 40 10.159 -5.075 -4.952 1.00 0.00 ATOM 343 O GLN 40 6.933 -6.696 0.561 1.00 0.00 ATOM 344 C GLN 40 6.724 -6.595 -0.659 1.00 0.00 ATOM 345 N ASP 41 5.340 -6.878 -0.445 1.00 0.00 ATOM 346 CA ASP 41 3.900 -7.079 -0.700 1.00 0.00 ATOM 347 CB ASP 41 3.887 -6.728 -2.302 1.00 0.00 ATOM 348 CG ASP 41 3.922 -7.994 -3.129 1.00 0.00 ATOM 349 OD1 ASP 41 4.210 -9.100 -2.632 1.00 0.00 ATOM 350 OD2 ASP 41 3.539 -7.823 -4.301 1.00 0.00 ATOM 351 O ASP 41 3.341 -9.033 0.488 1.00 0.00 ATOM 352 C ASP 41 3.205 -7.833 0.370 1.00 0.00 ATOM 353 N THR 42 2.424 -7.098 1.138 1.00 0.00 ATOM 354 CA THR 42 1.730 -7.657 2.273 1.00 0.00 ATOM 355 CB THR 42 1.791 -6.712 3.488 1.00 0.00 ATOM 356 CG2 THR 42 3.234 -6.459 3.896 1.00 0.00 ATOM 357 OG1 THR 42 1.175 -5.465 3.160 1.00 0.00 ATOM 358 O THR 42 -0.362 -7.278 1.269 1.00 0.00 ATOM 359 C THR 42 0.272 -7.932 2.050 1.00 0.00 ATOM 360 N SER 43 -0.244 -8.947 2.727 1.00 0.00 ATOM 361 CA SER 43 -1.667 -9.174 2.714 1.00 0.00 ATOM 362 CB SER 43 -2.039 -10.403 1.908 1.00 0.00 ATOM 363 OG SER 43 -3.239 -11.010 2.359 1.00 0.00 ATOM 364 O SER 43 -1.265 -9.864 4.987 1.00 0.00 ATOM 365 C SER 43 -2.029 -9.275 4.190 1.00 0.00 ATOM 366 N PHE 44 -3.159 -8.663 4.570 1.00 0.00 ATOM 367 CA PHE 44 -3.647 -8.813 5.911 1.00 0.00 ATOM 368 CB PHE 44 -4.241 -7.495 6.413 1.00 0.00 ATOM 369 CG PHE 44 -4.781 -7.568 7.814 1.00 0.00 ATOM 370 CD1 PHE 44 -3.929 -7.535 8.904 1.00 0.00 ATOM 371 CD2 PHE 44 -6.142 -7.672 8.041 1.00 0.00 ATOM 372 CE1 PHE 44 -4.424 -7.603 10.193 1.00 0.00 ATOM 373 CE2 PHE 44 -6.640 -7.740 9.328 1.00 0.00 ATOM 374 CZ PHE 44 -5.788 -7.706 10.400 1.00 0.00 ATOM 375 O PHE 44 -5.529 -9.804 4.783 1.00 0.00 ATOM 376 C PHE 44 -4.689 -9.913 5.702 1.00 0.00 ATOM 377 N ILE 45 -4.613 -10.983 6.512 1.00 0.00 ATOM 378 CA ILE 45 -5.521 -12.108 6.384 1.00 0.00 ATOM 379 CB ILE 45 -4.758 -13.431 6.188 1.00 0.00 ATOM 380 CG1 ILE 45 -3.926 -13.380 4.906 1.00 0.00 ATOM 381 CG2 ILE 45 -5.729 -14.595 6.085 1.00 0.00 ATOM 382 CD1 ILE 45 -2.958 -14.533 4.758 1.00 0.00 ATOM 383 O ILE 45 -6.007 -12.292 8.715 1.00 0.00 ATOM 384 C ILE 45 -6.435 -12.361 7.554 1.00 0.00 ATOM 385 N THR 46 -7.689 -12.669 7.248 1.00 0.00 ATOM 386 CA THR 46 -8.633 -13.030 8.302 1.00 0.00 ATOM 387 CB THR 46 -10.090 -12.933 7.810 1.00 0.00 ATOM 388 CG2 THR 46 -11.055 -13.305 8.928 1.00 0.00 ATOM 389 OG1 THR 46 -10.369 -11.592 7.388 1.00 0.00 ATOM 390 O THR 46 -8.425 -15.402 7.867 1.00 0.00 ATOM 391 C THR 46 -8.273 -14.484 8.673 1.00 0.00 ATOM 392 N SER 47 -7.771 -14.669 9.886 1.00 0.00 ATOM 393 CA SER 47 -7.368 -15.967 10.361 1.00 0.00 ATOM 394 CB SER 47 -6.673 -15.883 11.742 1.00 0.00 ATOM 395 OG SER 47 -7.537 -15.340 12.714 1.00 0.00 ATOM 396 O SER 47 -8.323 -18.176 10.179 1.00 0.00 ATOM 397 C SER 47 -8.528 -16.981 10.350 1.00 0.00 ATOM 398 N GLU 48 -9.736 -16.481 10.529 1.00 0.00 ATOM 399 CA GLU 48 -10.951 -17.294 10.584 1.00 0.00 ATOM 400 CB GLU 48 -12.193 -16.404 10.617 1.00 0.00 ATOM 401 CG GLU 48 -12.374 -15.637 11.919 1.00 0.00 ATOM 402 CD GLU 48 -13.586 -14.727 11.899 1.00 0.00 ATOM 403 OE1 GLU 48 -14.256 -14.655 10.844 1.00 0.00 ATOM 404 OE2 GLU 48 -13.865 -14.085 12.930 1.00 0.00 ATOM 405 O GLU 48 -11.663 -19.362 9.617 1.00 0.00 ATOM 406 C GLU 48 -11.185 -18.257 9.432 1.00 0.00 ATOM 407 N HIS 49 -10.873 -17.797 8.229 1.00 0.00 ATOM 408 CA HIS 49 -11.105 -18.562 7.025 1.00 0.00 ATOM 409 CB HIS 49 -12.393 -18.104 6.341 1.00 0.00 ATOM 410 CG HIS 49 -13.612 -18.233 7.196 1.00 0.00 ATOM 411 CD2 HIS 49 -14.520 -19.314 7.557 1.00 0.00 ATOM 412 ND1 HIS 49 -14.152 -17.170 7.890 1.00 0.00 ATOM 413 CE1 HIS 49 -15.237 -17.592 8.567 1.00 0.00 ATOM 414 NE2 HIS 49 -15.462 -18.878 8.369 1.00 0.00 ATOM 415 O HIS 49 -10.064 -18.652 4.895 1.00 0.00 ATOM 416 C HIS 49 -9.942 -18.364 6.075 1.00 0.00 ATOM 417 N ASN 50 -8.822 -17.885 6.598 1.00 0.00 ATOM 418 CA ASN 50 -7.671 -17.593 5.756 1.00 0.00 ATOM 419 CB ASN 50 -6.985 -18.890 5.311 1.00 0.00 ATOM 420 CG ASN 50 -6.375 -19.650 6.472 1.00 0.00 ATOM 421 ND2 ASN 50 -6.909 -20.835 6.749 1.00 0.00 ATOM 422 OD1 ASN 50 -5.434 -19.178 7.108 1.00 0.00 ATOM 423 O ASN 50 -7.659 -17.184 3.360 1.00 0.00 ATOM 424 C ASN 50 -8.059 -16.809 4.470 1.00 0.00 ATOM 425 N SER 51 -8.833 -15.726 4.627 1.00 0.00 ATOM 426 CA SER 51 -9.245 -14.913 3.490 1.00 0.00 ATOM 427 CB SER 51 -10.754 -14.671 3.522 1.00 0.00 ATOM 428 OG SER 51 -11.469 -15.883 3.364 1.00 0.00 ATOM 429 O SER 51 -8.381 -13.014 4.624 1.00 0.00 ATOM 430 C SER 51 -8.526 -13.593 3.553 1.00 0.00 ATOM 431 N MET 52 -8.050 -13.147 2.398 1.00 0.00 ATOM 432 CA MET 52 -7.296 -11.903 2.273 1.00 0.00 ATOM 433 CB MET 52 -6.677 -11.788 0.879 1.00 0.00 ATOM 434 CG MET 52 -5.787 -10.569 0.692 1.00 0.00 ATOM 435 SD MET 52 -5.068 -10.480 -0.958 1.00 0.00 ATOM 436 CE MET 52 -3.919 -11.854 -0.902 1.00 0.00 ATOM 437 O MET 52 -9.194 -10.570 1.792 1.00 0.00 ATOM 438 C MET 52 -8.225 -10.734 2.497 1.00 0.00 ATOM 439 N THR 53 -7.939 -9.953 3.534 1.00 0.00 ATOM 440 CA THR 53 -8.797 -8.824 3.854 1.00 0.00 ATOM 441 CB THR 53 -8.594 -8.668 5.575 1.00 0.00 ATOM 442 CG2 THR 53 -9.702 -8.074 6.437 1.00 0.00 ATOM 443 OG1 THR 53 -8.150 -9.889 6.181 1.00 0.00 ATOM 444 O THR 53 -9.016 -6.579 3.109 1.00 0.00 ATOM 445 C THR 53 -8.257 -7.517 3.259 1.00 0.00 ATOM 446 N GLY 54 -6.972 -7.499 2.878 1.00 0.00 ATOM 447 CA GLY 54 -6.329 -6.301 2.356 1.00 0.00 ATOM 448 O GLY 54 -4.275 -7.492 2.338 1.00 0.00 ATOM 449 C GLY 54 -4.906 -6.557 1.900 1.00 0.00 ATOM 450 N PHE 55 -4.412 -5.729 0.989 1.00 0.00 ATOM 451 CA PHE 55 -3.053 -5.862 0.503 1.00 0.00 ATOM 452 CB PHE 55 -3.113 -6.485 -0.898 1.00 0.00 ATOM 453 CG PHE 55 -1.744 -6.482 -1.578 1.00 0.00 ATOM 454 CD1 PHE 55 -0.747 -7.364 -1.167 1.00 0.00 ATOM 455 CD2 PHE 55 -1.480 -5.609 -2.628 1.00 0.00 ATOM 456 CE1 PHE 55 0.500 -7.363 -1.791 1.00 0.00 ATOM 457 CE2 PHE 55 -0.238 -5.592 -3.261 1.00 0.00 ATOM 458 CZ PHE 55 0.748 -6.476 -2.837 1.00 0.00 ATOM 459 O PHE 55 -3.255 -3.492 0.132 1.00 0.00 ATOM 460 C PHE 55 -2.509 -4.459 0.322 1.00 0.00 ATOM 461 N LEU 56 -1.199 -4.362 0.407 1.00 0.00 ATOM 462 CA LEU 56 -0.490 -3.112 0.255 1.00 0.00 ATOM 463 CB LEU 56 -0.131 -2.538 1.612 1.00 0.00 ATOM 464 CG LEU 56 -1.204 -1.752 2.344 1.00 0.00 ATOM 465 CD1 LEU 56 -0.695 -1.486 3.745 1.00 0.00 ATOM 466 CD2 LEU 56 -1.510 -0.448 1.605 1.00 0.00 ATOM 467 O LEU 56 1.372 -4.582 0.425 1.00 0.00 ATOM 468 C LEU 56 0.966 -3.505 0.021 1.00 0.00 ATOM 469 N ILE 57 1.748 -2.650 -0.634 1.00 0.00 ATOM 470 CA ILE 57 3.169 -2.932 -0.910 1.00 0.00 ATOM 471 CB ILE 57 3.372 -3.220 -2.415 1.00 0.00 ATOM 472 CG1 ILE 57 4.860 -3.608 -2.665 1.00 0.00 ATOM 473 CG2 ILE 57 2.899 -2.004 -3.273 1.00 0.00 ATOM 474 CD1 ILE 57 5.086 -4.084 -4.139 1.00 0.00 ATOM 475 O ILE 57 3.538 -0.575 -0.511 1.00 0.00 ATOM 476 C ILE 57 4.025 -1.713 -0.551 1.00 0.00 ATOM 477 N GLY 58 5.287 -1.942 -0.235 1.00 0.00 ATOM 478 CA GLY 58 6.171 -0.815 -0.026 1.00 0.00 ATOM 479 O GLY 58 8.017 -2.264 -0.491 1.00 0.00 ATOM 480 C GLY 58 7.446 -1.215 -0.734 1.00 0.00 ATOM 481 N PHE 59 7.825 -0.389 -1.689 1.00 0.00 ATOM 482 CA PHE 59 8.977 -0.595 -2.495 1.00 0.00 ATOM 483 CB PHE 59 8.698 -0.191 -3.944 1.00 0.00 ATOM 484 CG PHE 59 9.872 -0.375 -4.863 1.00 0.00 ATOM 485 CD1 PHE 59 10.210 -1.628 -5.336 1.00 0.00 ATOM 486 CD2 PHE 59 10.639 0.710 -5.254 1.00 0.00 ATOM 487 CE1 PHE 59 11.290 -1.799 -6.181 1.00 0.00 ATOM 488 CE2 PHE 59 11.717 0.542 -6.097 1.00 0.00 ATOM 489 CZ PHE 59 12.047 -0.705 -6.562 1.00 0.00 ATOM 490 O PHE 59 9.966 1.423 -1.678 1.00 0.00 ATOM 491 C PHE 59 10.128 0.236 -1.974 1.00 0.00 ATOM 492 N GLN 60 11.294 -0.383 -1.867 1.00 0.00 ATOM 493 CA GLN 60 12.472 0.300 -1.353 1.00 0.00 ATOM 494 CB GLN 60 12.934 -0.346 -0.044 1.00 0.00 ATOM 495 CG GLN 60 14.159 0.310 0.571 1.00 0.00 ATOM 496 CD GLN 60 14.550 -0.315 1.897 1.00 0.00 ATOM 497 OE1 GLN 60 13.911 -1.258 2.363 1.00 0.00 ATOM 498 NE2 GLN 60 15.603 0.214 2.510 1.00 0.00 ATOM 499 O GLN 60 14.018 -0.870 -2.753 1.00 0.00 ATOM 500 C GLN 60 13.609 0.226 -2.355 1.00 0.00 ATOM 501 N SER 61 14.110 1.384 -2.767 1.00 0.00 ATOM 502 CA SER 61 15.202 1.489 -3.721 1.00 0.00 ATOM 503 CB SER 61 14.805 2.520 -4.784 1.00 0.00 ATOM 504 OG SER 61 15.813 2.711 -5.758 1.00 0.00 ATOM 505 O SER 61 16.451 2.867 -2.219 1.00 0.00 ATOM 506 C SER 61 16.484 1.905 -3.008 1.00 0.00 ATOM 507 N GLN 62 17.597 1.198 -3.245 1.00 0.00 ATOM 508 CA GLN 62 18.861 1.489 -2.571 1.00 0.00 ATOM 509 CB GLN 62 19.497 -0.151 -2.965 1.00 0.00 ATOM 510 CG GLN 62 18.441 -1.256 -3.162 1.00 0.00 ATOM 511 CD GLN 62 19.102 -2.582 -3.521 1.00 0.00 ATOM 512 OE1 GLN 62 19.606 -2.752 -4.630 1.00 0.00 ATOM 513 NE2 GLN 62 19.211 -3.475 -2.531 1.00 0.00 ATOM 514 O GLN 62 20.399 3.333 -2.468 1.00 0.00 ATOM 515 C GLN 62 19.505 2.773 -3.101 1.00 0.00 ATOM 516 N SER 63 19.069 3.250 -4.261 1.00 0.00 ATOM 517 CA SER 63 19.615 4.452 -4.877 1.00 0.00 ATOM 518 CB SER 63 18.831 4.724 -6.172 1.00 0.00 ATOM 519 OG SER 63 19.252 5.942 -6.773 1.00 0.00 ATOM 520 O SER 63 20.738 6.339 -3.750 1.00 0.00 ATOM 521 C SER 63 19.672 5.745 -4.024 1.00 0.00 ATOM 522 N ASP 64 18.510 6.112 -3.516 1.00 0.00 ATOM 523 CA ASP 64 18.381 7.349 -2.754 1.00 0.00 ATOM 524 CB ASP 64 17.477 8.370 -3.556 1.00 0.00 ATOM 525 CG ASP 64 15.995 7.992 -3.555 1.00 0.00 ATOM 526 OD1 ASP 64 15.507 7.259 -2.677 1.00 0.00 ATOM 527 OD2 ASP 64 15.291 8.487 -4.447 1.00 0.00 ATOM 528 O ASP 64 17.690 6.097 -0.811 1.00 0.00 ATOM 529 C ASP 64 18.252 7.115 -1.235 1.00 0.00 ATOM 530 N PRO 65 18.797 7.996 -0.422 1.00 0.00 ATOM 531 CA PRO 65 18.701 7.825 1.060 1.00 0.00 ATOM 532 CB PRO 65 19.668 8.834 1.546 1.00 0.00 ATOM 533 CG PRO 65 20.312 9.530 0.357 1.00 0.00 ATOM 534 CD PRO 65 19.404 9.246 -0.820 1.00 0.00 ATOM 535 O PRO 65 16.537 8.789 0.992 1.00 0.00 ATOM 536 C PRO 65 17.320 8.030 1.569 1.00 0.00 ATOM 537 N GLU 66 17.846 5.560 1.784 1.00 0.00 ATOM 538 CA GLU 66 16.774 4.695 1.352 1.00 0.00 ATOM 539 CB GLU 66 16.510 3.569 1.924 1.00 0.00 ATOM 540 CG GLU 66 17.362 3.300 3.170 1.00 0.00 ATOM 541 CD GLU 66 18.536 2.338 2.975 1.00 0.00 ATOM 542 OE1 GLU 66 19.325 2.628 1.935 1.00 0.00 ATOM 543 OE2 GLU 66 18.729 1.386 3.743 1.00 0.00 ATOM 544 O GLU 66 15.170 6.197 2.375 1.00 0.00 ATOM 545 C GLU 66 15.454 5.473 1.411 1.00 0.00 ATOM 546 N THR 67 14.646 5.327 0.368 1.00 0.00 ATOM 547 CA THR 67 13.353 5.960 0.384 1.00 0.00 ATOM 548 CB THR 67 13.250 7.061 -0.688 1.00 0.00 ATOM 549 CG2 THR 67 11.880 7.719 -0.646 1.00 0.00 ATOM 550 OG1 THR 67 14.251 8.060 -0.450 1.00 0.00 ATOM 551 O THR 67 12.441 4.114 -0.866 1.00 0.00 ATOM 552 C THR 67 12.321 4.872 0.108 1.00 0.00 ATOM 553 N ALA 68 11.322 4.799 0.956 1.00 0.00 ATOM 554 CA ALA 68 10.261 3.825 0.754 1.00 0.00 ATOM 555 CB ALA 68 9.615 3.430 2.099 1.00 0.00 ATOM 556 O ALA 68 8.783 5.609 -0.016 1.00 0.00 ATOM 557 C ALA 68 9.084 4.409 -0.070 1.00 0.00 ATOM 558 N TYR 69 8.425 3.565 -0.849 1.00 0.00 ATOM 559 CA TYR 69 7.327 4.017 -1.668 1.00 0.00 ATOM 560 CB TYR 69 7.653 3.886 -3.160 1.00 0.00 ATOM 561 CG TYR 69 8.788 4.772 -3.645 1.00 0.00 ATOM 562 CD1 TYR 69 10.111 4.333 -3.604 1.00 0.00 ATOM 563 CD2 TYR 69 8.534 6.042 -4.169 1.00 0.00 ATOM 564 CE1 TYR 69 11.153 5.134 -4.083 1.00 0.00 ATOM 565 CE2 TYR 69 9.572 6.852 -4.647 1.00 0.00 ATOM 566 CZ TYR 69 10.876 6.388 -4.599 1.00 0.00 ATOM 567 OH TYR 69 11.901 7.176 -5.069 1.00 0.00 ATOM 568 O TYR 69 6.130 1.932 -1.824 1.00 0.00 ATOM 569 C TYR 69 6.136 3.088 -1.417 1.00 0.00 ATOM 570 N ILE 70 5.121 3.588 -0.744 1.00 0.00 ATOM 571 CA ILE 70 3.944 2.757 -0.515 1.00 0.00 ATOM 572 CB ILE 70 3.249 3.105 0.843 1.00 0.00 ATOM 573 CG1 ILE 70 2.268 1.996 1.249 1.00 0.00 ATOM 574 CG2 ILE 70 2.514 4.453 0.725 1.00 0.00 ATOM 575 CD1 ILE 70 1.732 2.152 2.657 1.00 0.00 ATOM 576 O ILE 70 2.712 3.793 -2.253 1.00 0.00 ATOM 577 C ILE 70 3.066 2.750 -1.765 1.00 0.00 ATOM 578 N HIS 71 2.753 1.569 -2.284 1.00 0.00 ATOM 579 CA HIS 71 1.972 1.418 -3.510 1.00 0.00 ATOM 580 CB HIS 71 2.853 0.904 -4.650 1.00 0.00 ATOM 581 CG HIS 71 3.963 1.837 -5.022 1.00 0.00 ATOM 582 CD2 HIS 71 5.156 1.751 -5.853 1.00 0.00 ATOM 583 ND1 HIS 71 4.033 3.132 -4.558 1.00 0.00 ATOM 584 CE1 HIS 71 5.135 3.717 -5.062 1.00 0.00 ATOM 585 NE2 HIS 71 5.813 2.894 -5.837 1.00 0.00 ATOM 586 O HIS 71 0.833 -0.398 -2.432 1.00 0.00 ATOM 587 C HIS 71 0.817 0.432 -3.349 1.00 0.00 ATOM 588 N PHE 72 -0.153 0.513 -4.271 1.00 0.00 ATOM 589 CA PHE 72 -1.285 -0.409 -4.347 1.00 0.00 ATOM 590 CB PHE 72 -0.848 -1.749 -4.943 1.00 0.00 ATOM 591 CG PHE 72 -0.336 -1.648 -6.351 1.00 0.00 ATOM 592 CD1 PHE 72 1.023 -1.589 -6.604 1.00 0.00 ATOM 593 CD2 PHE 72 -1.214 -1.613 -7.421 1.00 0.00 ATOM 594 CE1 PHE 72 1.495 -1.494 -7.901 1.00 0.00 ATOM 595 CE2 PHE 72 -0.742 -1.519 -8.716 1.00 0.00 ATOM 596 CZ PHE 72 0.605 -1.460 -8.959 1.00 0.00 ATOM 597 O PHE 72 -2.133 -2.007 -2.743 1.00 0.00 ATOM 598 C PHE 72 -2.031 -0.821 -3.086 1.00 0.00 ATOM 599 N SER 73 -2.567 0.175 -2.399 1.00 0.00 ATOM 600 CA SER 73 -3.285 -0.088 -1.184 1.00 0.00 ATOM 601 CB SER 73 -3.503 1.152 -0.507 1.00 0.00 ATOM 602 OG SER 73 -2.375 1.221 0.347 1.00 0.00 ATOM 603 O SER 73 -5.375 0.257 -2.097 1.00 0.00 ATOM 604 C SER 73 -4.688 -0.475 -1.459 1.00 0.00 ATOM 605 N GLY 74 -5.141 -1.616 -0.965 1.00 0.00 ATOM 606 CA GLY 74 -6.524 -1.986 -1.226 1.00 0.00 ATOM 607 O GLY 74 -6.492 -3.820 0.355 1.00 0.00 ATOM 608 C GLY 74 -7.078 -2.801 -0.070 1.00 0.00 ATOM 609 N VAL 75 -8.188 -2.320 0.462 1.00 0.00 ATOM 610 CA VAL 75 -8.879 -3.011 1.511 1.00 0.00 ATOM 611 CB VAL 75 -9.428 -2.033 2.564 1.00 0.00 ATOM 612 CG1 VAL 75 -10.209 -2.784 3.633 1.00 0.00 ATOM 613 CG2 VAL 75 -8.291 -1.282 3.239 1.00 0.00 ATOM 614 O VAL 75 -10.746 -3.188 -0.011 1.00 0.00 ATOM 615 C VAL 75 -10.022 -3.753 0.801 1.00 0.00 ATOM 616 N HIS 76 -10.162 -5.040 1.081 1.00 0.00 ATOM 617 CA HIS 76 -11.188 -5.832 0.419 1.00 0.00 ATOM 618 CB HIS 76 -11.095 -7.296 0.855 1.00 0.00 ATOM 619 CG HIS 76 -12.023 -8.208 0.113 1.00 0.00 ATOM 620 CD2 HIS 76 -13.333 -8.787 0.369 1.00 0.00 ATOM 621 ND1 HIS 76 -11.725 -8.718 -1.132 1.00 0.00 ATOM 622 CE1 HIS 76 -12.744 -9.500 -1.540 1.00 0.00 ATOM 623 NE2 HIS 76 -13.713 -9.545 -0.646 1.00 0.00 ATOM 624 O HIS 76 -12.759 -4.777 1.879 1.00 0.00 ATOM 625 C HIS 76 -12.558 -5.302 0.781 1.00 0.00 ATOM 626 N PRO 77 -13.491 -5.419 -0.147 1.00 0.00 ATOM 627 CA PRO 77 -14.837 -4.885 0.051 1.00 0.00 ATOM 628 CB PRO 77 -15.592 -5.301 -1.212 1.00 0.00 ATOM 629 CG PRO 77 -14.535 -5.416 -2.257 1.00 0.00 ATOM 630 CD PRO 77 -13.329 -5.991 -1.566 1.00 0.00 ATOM 631 O PRO 77 -16.334 -4.589 1.901 1.00 0.00 ATOM 632 C PRO 77 -15.618 -5.374 1.267 1.00 0.00 ATOM 633 N ASP 78 -15.499 -6.649 1.605 1.00 0.00 ATOM 634 CA ASP 78 -16.242 -7.145 2.772 1.00 0.00 ATOM 635 CB ASP 78 -16.404 -8.665 2.697 1.00 0.00 ATOM 636 CG ASP 78 -17.349 -9.097 1.593 1.00 0.00 ATOM 637 OD1 ASP 78 -18.030 -10.128 1.764 1.00 0.00 ATOM 638 OD2 ASP 78 -17.404 -8.404 0.554 1.00 0.00 ATOM 639 O ASP 78 -15.989 -7.168 5.169 1.00 0.00 ATOM 640 C ASP 78 -15.519 -6.813 4.078 1.00 0.00 ATOM 641 N PHE 79 -14.381 -6.136 3.970 1.00 0.00 ATOM 642 CA PHE 79 -13.601 -5.852 5.146 1.00 0.00 ATOM 643 CB PHE 79 -12.195 -6.441 5.013 1.00 0.00 ATOM 644 CG PHE 79 -12.178 -7.936 4.862 1.00 0.00 ATOM 645 CD1 PHE 79 -12.065 -8.519 3.612 1.00 0.00 ATOM 646 CD2 PHE 79 -12.271 -8.757 5.972 1.00 0.00 ATOM 647 CE1 PHE 79 -12.046 -9.893 3.475 1.00 0.00 ATOM 648 CE2 PHE 79 -12.252 -10.133 5.834 1.00 0.00 ATOM 649 CZ PHE 79 -12.141 -10.702 4.590 1.00 0.00 ATOM 650 O PHE 79 -12.714 -3.993 6.290 1.00 0.00 ATOM 651 C PHE 79 -13.444 -4.398 5.406 1.00 0.00 ATOM 652 N ARG 80 -14.139 -3.592 4.629 1.00 0.00 ATOM 653 CA ARG 80 -14.025 -2.158 4.797 1.00 0.00 ATOM 654 CB ARG 80 -15.042 -1.459 3.932 1.00 0.00 ATOM 655 CG ARG 80 -15.061 0.031 4.156 1.00 0.00 ATOM 656 CD ARG 80 -15.948 0.699 3.132 1.00 0.00 ATOM 657 NE ARG 80 -15.447 0.499 1.774 1.00 0.00 ATOM 658 CZ ARG 80 -14.566 1.299 1.183 1.00 0.00 ATOM 659 NH1 ARG 80 -14.088 2.356 1.824 1.00 0.00 ATOM 660 NH2 ARG 80 -14.161 1.037 -0.050 1.00 0.00 ATOM 661 O ARG 80 -15.364 -2.458 6.730 1.00 0.00 ATOM 662 C ARG 80 -14.573 -1.743 6.116 1.00 0.00 ATOM 663 N LYS 81 -14.133 -0.571 6.536 1.00 0.00 ATOM 664 CA LYS 81 -14.547 0.008 7.790 1.00 0.00 ATOM 665 CB LYS 81 -16.073 0.101 7.861 1.00 0.00 ATOM 666 CG LYS 81 -16.691 0.965 6.777 1.00 0.00 ATOM 667 CD LYS 81 -18.205 1.023 6.914 1.00 0.00 ATOM 668 CE LYS 81 -18.826 1.887 5.829 1.00 0.00 ATOM 669 NZ LYS 81 -20.311 1.943 5.944 1.00 0.00 ATOM 670 O LYS 81 -14.708 -0.404 10.081 1.00 0.00 ATOM 671 C LYS 81 -14.146 -0.713 9.060 1.00 0.00 ATOM 672 N MET 82 -13.219 -1.663 9.034 1.00 0.00 ATOM 673 CA MET 82 -12.830 -2.345 10.248 1.00 0.00 ATOM 674 CB MET 82 -12.667 -3.877 9.909 1.00 0.00 ATOM 675 CG MET 82 -13.956 -4.559 9.458 1.00 0.00 ATOM 676 SD MET 82 -13.748 -6.070 8.500 1.00 0.00 ATOM 677 CE MET 82 -13.567 -7.182 9.747 1.00 0.00 ATOM 678 O MET 82 -10.902 -0.964 10.544 1.00 0.00 ATOM 679 C MET 82 -11.734 -1.702 11.067 1.00 0.00 ATOM 680 N GLN 83 -10.448 -0.294 10.693 1.00 0.00 ATOM 681 CA GLN 83 -9.039 -0.041 10.913 1.00 0.00 ATOM 682 CB GLN 83 -9.045 0.120 12.686 1.00 0.00 ATOM 683 CG GLN 83 -8.544 -1.225 13.202 1.00 0.00 ATOM 684 CD GLN 83 -9.724 -2.192 13.427 1.00 0.00 ATOM 685 OE1 GLN 83 -10.697 -2.127 12.661 1.00 0.00 ATOM 686 NE2 GLN 83 -9.665 -3.058 14.442 1.00 0.00 ATOM 687 O GLN 83 -6.923 -0.862 10.302 1.00 0.00 ATOM 688 C GLN 83 -8.115 -0.921 10.111 1.00 0.00 ATOM 689 N ILE 84 -8.654 -1.751 9.221 1.00 0.00 ATOM 690 CA ILE 84 -7.813 -2.646 8.451 1.00 0.00 ATOM 691 CB ILE 84 -8.663 -3.517 7.508 1.00 0.00 ATOM 692 CG1 ILE 84 -9.561 -4.467 8.275 1.00 0.00 ATOM 693 CG2 ILE 84 -7.778 -4.259 6.518 1.00 0.00 ATOM 694 CD1 ILE 84 -10.629 -5.183 7.506 1.00 0.00 ATOM 695 O ILE 84 -5.614 -2.200 7.572 1.00 0.00 ATOM 696 C ILE 84 -6.774 -1.859 7.679 1.00 0.00 ATOM 697 N GLY 85 -7.234 -0.755 7.083 1.00 0.00 ATOM 698 CA GLY 85 -6.281 0.053 6.262 1.00 0.00 ATOM 699 O GLY 85 -4.027 0.676 6.853 1.00 0.00 ATOM 700 C GLY 85 -5.236 0.692 7.135 1.00 0.00 ATOM 701 N LYS 86 -5.606 1.291 8.269 1.00 0.00 ATOM 702 CA LYS 86 -4.603 1.904 9.145 1.00 0.00 ATOM 703 CB LYS 86 -5.224 2.353 10.454 1.00 0.00 ATOM 704 CG LYS 86 -5.184 3.849 10.713 1.00 0.00 ATOM 705 CD LYS 86 -4.690 4.170 12.139 1.00 0.00 ATOM 706 CE LYS 86 -5.347 3.301 13.228 1.00 0.00 ATOM 707 NZ LYS 86 -6.347 4.018 14.053 1.00 0.00 ATOM 708 O LYS 86 -2.347 1.232 9.743 1.00 0.00 ATOM 709 C LYS 86 -3.558 0.945 9.633 1.00 0.00 ATOM 710 N GLN 87 -4.013 -0.279 9.981 1.00 0.00 ATOM 711 CA GLN 87 -3.084 -1.282 10.499 1.00 0.00 ATOM 712 CB GLN 87 -3.590 -2.694 10.041 1.00 0.00 ATOM 713 CG GLN 87 -3.106 -3.940 10.672 1.00 0.00 ATOM 714 CD GLN 87 -3.989 -5.090 10.193 1.00 0.00 ATOM 715 OE1 GLN 87 -4.269 -5.226 8.971 1.00 0.00 ATOM 716 NE2 GLN 87 -4.468 -5.879 11.120 1.00 0.00 ATOM 717 O GLN 87 -0.935 -1.898 9.660 1.00 0.00 ATOM 718 C GLN 87 -2.117 -1.722 9.399 1.00 0.00 ATOM 719 N LEU 88 -2.591 -1.913 8.177 1.00 0.00 ATOM 720 CA LEU 88 -1.689 -2.314 7.085 1.00 0.00 ATOM 721 CB LEU 88 -2.404 -2.533 5.790 1.00 0.00 ATOM 722 CG LEU 88 -3.490 -3.612 5.893 1.00 0.00 ATOM 723 CD1 LEU 88 -4.169 -3.773 4.549 1.00 0.00 ATOM 724 CD2 LEU 88 -2.915 -4.935 6.387 1.00 0.00 ATOM 725 O LEU 88 0.607 -1.584 6.761 1.00 0.00 ATOM 726 C LEU 88 -0.597 -1.262 6.834 1.00 0.00 ATOM 727 N TYR 89 -1.018 -0.012 6.726 1.00 0.00 ATOM 728 CA TYR 89 -0.089 1.080 6.510 1.00 0.00 ATOM 729 CB TYR 89 -0.718 2.433 6.489 1.00 0.00 ATOM 730 CG TYR 89 -1.587 2.685 5.277 1.00 0.00 ATOM 731 CD1 TYR 89 -1.197 2.262 4.004 1.00 0.00 ATOM 732 CD2 TYR 89 -2.810 3.346 5.407 1.00 0.00 ATOM 733 CE1 TYR 89 -2.008 2.498 2.890 1.00 0.00 ATOM 734 CE2 TYR 89 -3.619 3.585 4.310 1.00 0.00 ATOM 735 CZ TYR 89 -3.220 3.162 3.057 1.00 0.00 ATOM 736 OH TYR 89 -4.040 3.409 1.977 1.00 0.00 ATOM 737 O TYR 89 2.100 1.145 7.487 1.00 0.00 ATOM 738 C TYR 89 0.887 1.110 7.685 1.00 0.00 ATOM 739 N ASP 90 0.388 2.207 10.003 1.00 0.00 ATOM 740 CA ASP 90 1.252 1.657 11.043 1.00 0.00 ATOM 741 CB ASP 90 0.417 0.977 12.132 1.00 0.00 ATOM 742 CG ASP 90 -0.343 1.969 12.987 1.00 0.00 ATOM 743 OD1 ASP 90 -0.940 1.548 13.998 1.00 0.00 ATOM 744 OD2 ASP 90 -0.341 3.172 12.647 1.00 0.00 ATOM 745 O ASP 90 3.366 0.635 10.877 1.00 0.00 ATOM 746 C ASP 90 2.197 0.649 10.506 1.00 0.00 ATOM 747 N VAL 91 1.710 -0.223 9.629 1.00 0.00 ATOM 748 CA VAL 91 2.569 -1.223 9.001 1.00 0.00 ATOM 749 CB VAL 91 1.805 -2.251 8.144 1.00 0.00 ATOM 750 CG1 VAL 91 2.775 -3.158 7.374 1.00 0.00 ATOM 751 CG2 VAL 91 0.884 -3.120 9.072 1.00 0.00 ATOM 752 O VAL 91 4.833 -0.922 8.251 1.00 0.00 ATOM 753 C VAL 91 3.666 -0.531 8.195 1.00 0.00 ATOM 754 N PHE 92 3.287 0.507 7.458 1.00 0.00 ATOM 755 CA PHE 92 4.233 1.267 6.650 1.00 0.00 ATOM 756 CB PHE 92 3.736 2.463 5.979 1.00 0.00 ATOM 757 CG PHE 92 4.729 3.035 5.017 1.00 0.00 ATOM 758 CD1 PHE 92 5.022 2.374 3.832 1.00 0.00 ATOM 759 CD2 PHE 92 5.434 4.185 5.324 1.00 0.00 ATOM 760 CE1 PHE 92 6.008 2.842 2.974 1.00 0.00 ATOM 761 CE2 PHE 92 6.424 4.658 4.468 1.00 0.00 ATOM 762 CZ PHE 92 6.710 3.981 3.288 1.00 0.00 ATOM 763 O PHE 92 6.536 1.691 7.235 1.00 0.00 ATOM 764 C PHE 92 5.355 1.863 7.521 1.00 0.00 ATOM 765 N ILE 93 4.965 2.555 8.585 1.00 0.00 ATOM 766 CA ILE 93 5.917 3.191 9.491 1.00 0.00 ATOM 767 CB ILE 93 5.158 3.997 10.586 1.00 0.00 ATOM 768 CG1 ILE 93 4.439 5.181 9.934 1.00 0.00 ATOM 769 CG2 ILE 93 6.120 4.497 11.666 1.00 0.00 ATOM 770 CD1 ILE 93 3.621 6.027 10.902 1.00 0.00 ATOM 771 O ILE 93 8.068 2.379 10.186 1.00 0.00 ATOM 772 C ILE 93 6.856 2.174 10.138 1.00 0.00 ATOM 773 N GLU 94 6.295 1.072 10.619 1.00 0.00 ATOM 774 CA GLU 94 7.086 0.032 11.261 1.00 0.00 ATOM 775 CB GLU 94 6.157 -1.028 11.862 1.00 0.00 ATOM 776 CG GLU 94 6.656 -1.641 13.162 1.00 0.00 ATOM 777 CD GLU 94 6.795 -0.618 14.274 1.00 0.00 ATOM 778 OE1 GLU 94 7.946 -0.299 14.647 1.00 0.00 ATOM 779 OE2 GLU 94 5.757 -0.130 14.778 1.00 0.00 ATOM 780 O GLU 94 9.200 -0.928 10.628 1.00 0.00 ATOM 781 C GLU 94 8.055 -0.631 10.282 1.00 0.00 ATOM 782 N THR 95 7.599 -0.862 9.054 1.00 0.00 ATOM 783 CA THR 95 8.433 -1.507 8.051 1.00 0.00 ATOM 784 CB THR 95 7.597 -1.910 6.814 1.00 0.00 ATOM 785 CG2 THR 95 8.466 -2.631 5.782 1.00 0.00 ATOM 786 OG1 THR 95 6.545 -2.793 7.219 1.00 0.00 ATOM 787 O THR 95 10.727 -1.064 7.482 1.00 0.00 ATOM 788 C THR 95 9.589 -0.608 7.624 1.00 0.00 ATOM 789 N VAL 96 9.313 0.676 7.416 1.00 0.00 ATOM 790 CA VAL 96 10.353 1.603 7.019 1.00 0.00 ATOM 791 CB VAL 96 9.754 2.923 6.518 1.00 0.00 ATOM 792 CG1 VAL 96 10.805 3.964 6.295 1.00 0.00 ATOM 793 CG2 VAL 96 9.079 2.691 5.203 1.00 0.00 ATOM 794 O VAL 96 12.636 1.679 7.868 1.00 0.00 ATOM 795 C VAL 96 11.414 1.697 8.122 1.00 0.00 ATOM 796 N LYS 97 11.005 1.787 9.382 1.00 0.00 ATOM 797 CA LYS 97 11.978 1.841 10.482 1.00 0.00 ATOM 798 CB LYS 97 11.256 2.096 11.814 1.00 0.00 ATOM 799 CG LYS 97 10.687 3.505 11.944 1.00 0.00 ATOM 800 CD LYS 97 11.797 4.544 12.083 1.00 0.00 ATOM 801 CE LYS 97 11.252 5.949 12.102 1.00 0.00 ATOM 802 NZ LYS 97 12.300 6.994 12.080 1.00 0.00 ATOM 803 O LYS 97 14.064 0.619 10.782 1.00 0.00 ATOM 804 C LYS 97 12.830 0.571 10.559 1.00 0.00 ATOM 805 N GLN 98 12.216 -0.601 10.400 1.00 0.00 ATOM 806 CA GLN 98 12.964 -1.855 10.463 1.00 0.00 ATOM 807 CB GLN 98 12.028 -3.056 10.305 1.00 0.00 ATOM 808 CG GLN 98 11.120 -3.322 11.494 1.00 0.00 ATOM 809 CD GLN 98 10.144 -4.450 11.297 1.00 0.00 ATOM 810 OE1 GLN 98 9.734 -4.782 10.187 1.00 0.00 ATOM 811 NE2 GLN 98 9.737 -5.079 12.398 1.00 0.00 ATOM 812 O GLN 98 15.163 -2.382 9.655 1.00 0.00 ATOM 813 C GLN 98 14.029 -1.912 9.378 1.00 0.00 ATOM 814 N ARG 99 13.705 -1.484 8.155 1.00 0.00 ATOM 815 CA ARG 99 14.574 -1.590 6.999 1.00 0.00 ATOM 816 CB ARG 99 13.718 -2.348 5.882 1.00 0.00 ATOM 817 CG ARG 99 13.391 -3.762 6.343 1.00 0.00 ATOM 818 CD ARG 99 12.880 -4.646 5.215 1.00 0.00 ATOM 819 NE ARG 99 13.252 -4.195 3.887 1.00 0.00 ATOM 820 CZ ARG 99 12.449 -3.778 2.913 1.00 0.00 ATOM 821 NH1 ARG 99 11.137 -3.739 3.083 1.00 0.00 ATOM 822 NH2 ARG 99 12.963 -3.397 1.744 1.00 0.00 ATOM 823 O ARG 99 16.238 -0.382 5.779 1.00 0.00 ATOM 824 C ARG 99 15.483 -0.394 6.767 1.00 0.00 ATOM 825 N GLY 100 15.497 0.614 7.581 1.00 0.00 ATOM 826 CA GLY 100 16.344 1.783 7.478 1.00 0.00 ATOM 827 O GLY 100 16.590 3.701 6.124 1.00 0.00 ATOM 828 C GLY 100 15.831 2.854 6.513 1.00 0.00 ATOM 829 N CYS 101 14.569 2.813 6.108 1.00 0.00 ATOM 830 CA CYS 101 14.055 3.845 5.226 1.00 0.00 ATOM 831 CB CYS 101 12.645 3.452 4.693 1.00 0.00 ATOM 832 SG CYS 101 12.606 1.983 3.629 1.00 0.00 ATOM 833 O CYS 101 13.876 5.247 7.161 1.00 0.00 ATOM 834 C CYS 101 14.130 5.180 5.961 1.00 0.00 ATOM 835 N THR 102 14.515 6.223 5.245 1.00 0.00 ATOM 836 CA THR 102 14.599 7.560 5.810 1.00 0.00 ATOM 837 CB THR 102 16.060 7.694 6.560 1.00 0.00 ATOM 838 CG2 THR 102 16.248 9.077 7.230 1.00 0.00 ATOM 839 OG1 THR 102 16.132 6.710 7.621 1.00 0.00 ATOM 840 O THR 102 13.562 9.681 5.322 1.00 0.00 ATOM 841 C THR 102 13.531 8.459 5.182 1.00 0.00 ATOM 842 N ARG 103 12.581 7.854 4.491 1.00 0.00 ATOM 843 CA ARG 103 11.520 8.619 3.850 1.00 0.00 ATOM 844 CB ARG 103 11.965 9.291 2.550 1.00 0.00 ATOM 845 CG ARG 103 13.016 10.366 2.786 1.00 0.00 ATOM 846 CD ARG 103 13.063 11.420 1.699 1.00 0.00 ATOM 847 NE ARG 103 13.352 10.828 0.403 1.00 0.00 ATOM 848 CZ ARG 103 13.243 11.415 -0.770 1.00 0.00 ATOM 849 NH1 ARG 103 12.897 12.682 -0.905 1.00 0.00 ATOM 850 NH2 ARG 103 13.575 10.725 -1.875 1.00 0.00 ATOM 851 O ARG 103 10.513 6.501 3.291 1.00 0.00 ATOM 852 C ARG 103 10.364 7.720 3.443 1.00 0.00 ATOM 853 N VAL 104 9.212 8.357 3.265 1.00 0.00 ATOM 854 CA VAL 104 8.026 7.669 2.842 1.00 0.00 ATOM 855 CB VAL 104 6.984 7.542 3.949 1.00 0.00 ATOM 856 CG1 VAL 104 5.718 6.936 3.396 1.00 0.00 ATOM 857 CG2 VAL 104 7.533 6.778 5.119 1.00 0.00 ATOM 858 O VAL 104 7.294 9.725 1.831 1.00 0.00 ATOM 859 C VAL 104 7.433 8.497 1.726 1.00 0.00 ATOM 860 N LYS 105 7.119 7.834 0.638 1.00 0.00 ATOM 861 CA LYS 105 6.542 8.528 -0.519 1.00 0.00 ATOM 862 CB LYS 105 7.127 8.855 -1.594 1.00 0.00 ATOM 863 CG LYS 105 6.284 8.909 -2.851 1.00 0.00 ATOM 864 CD LYS 105 7.055 9.511 -4.017 1.00 0.00 ATOM 865 CE LYS 105 6.226 10.545 -4.760 1.00 0.00 ATOM 866 NZ LYS 105 6.069 10.229 -6.206 1.00 0.00 ATOM 867 O LYS 105 5.003 6.734 -0.805 1.00 0.00 ATOM 868 C LYS 105 5.153 7.957 -0.754 1.00 0.00 ATOM 869 N CYS 106 4.163 8.821 -0.867 1.00 0.00 ATOM 870 CA CYS 106 2.796 8.363 -1.109 1.00 0.00 ATOM 871 CB CYS 106 2.107 7.895 0.147 1.00 0.00 ATOM 872 SG CYS 106 0.417 7.276 -0.113 1.00 0.00 ATOM 873 O CYS 106 2.227 9.856 -2.859 1.00 0.00 ATOM 874 C CYS 106 2.240 8.694 -2.450 1.00 0.00 ATOM 875 N VAL 107 1.716 7.679 -3.113 1.00 0.00 ATOM 876 CA VAL 107 1.115 7.856 -4.421 1.00 0.00 ATOM 877 CB VAL 107 1.758 6.866 -5.407 1.00 0.00 ATOM 878 CG1 VAL 107 1.302 7.082 -6.852 1.00 0.00 ATOM 879 CG2 VAL 107 3.285 6.957 -5.421 1.00 0.00 ATOM 880 O VAL 107 -0.733 6.332 -4.071 1.00 0.00 ATOM 881 C VAL 107 -0.364 7.501 -4.328 1.00 0.00 ATOM 882 N THR 108 -1.854 8.783 -3.650 1.00 0.00 ATOM 883 CA THR 108 -3.287 8.612 -3.427 1.00 0.00 ATOM 884 CB THR 108 -3.894 8.539 -2.291 1.00 0.00 ATOM 885 CG2 THR 108 -5.383 8.951 -2.432 1.00 0.00 ATOM 886 OG1 THR 108 -3.783 7.139 -1.996 1.00 0.00 ATOM 887 O THR 108 -3.928 10.402 -4.810 1.00 0.00 ATOM 888 C THR 108 -4.092 9.213 -4.572 1.00 0.00 ATOM 889 N SER 109 -4.908 8.424 -5.263 1.00 0.00 ATOM 890 CA SER 109 -5.757 8.933 -6.348 1.00 0.00 ATOM 891 CB SER 109 -5.598 8.060 -7.577 1.00 0.00 ATOM 892 OG SER 109 -6.104 6.761 -7.387 1.00 0.00 ATOM 893 O SER 109 -7.508 8.008 -4.980 1.00 0.00 ATOM 894 C SER 109 -7.217 8.715 -5.942 1.00 0.00 ATOM 895 N PRO 110 -8.162 9.315 -6.646 1.00 0.00 ATOM 896 CA PRO 110 -9.570 9.262 -6.230 1.00 0.00 ATOM 897 CB PRO 110 -10.192 10.485 -6.913 1.00 0.00 ATOM 898 CG PRO 110 -9.316 10.717 -8.093 1.00 0.00 ATOM 899 CD PRO 110 -7.947 10.193 -7.803 1.00 0.00 ATOM 900 O PRO 110 -10.862 7.865 -7.720 1.00 0.00 ATOM 901 C PRO 110 -10.240 7.949 -6.668 1.00 0.00 ATOM 902 N VAL 111 -10.031 6.954 -5.812 1.00 0.00 ATOM 903 CA VAL 111 -10.481 5.598 -6.097 1.00 0.00 ATOM 904 CB VAL 111 -9.270 4.624 -6.049 1.00 0.00 ATOM 905 CG1 VAL 111 -9.748 3.185 -6.113 1.00 0.00 ATOM 906 CG2 VAL 111 -8.347 4.919 -7.219 1.00 0.00 ATOM 907 O VAL 111 -11.158 5.580 -3.787 1.00 0.00 ATOM 908 C VAL 111 -11.264 5.048 -4.902 1.00 0.00 ATOM 909 N ASN 112 -12.014 3.982 -5.138 1.00 0.00 ATOM 910 CA ASN 112 -12.748 3.313 -4.077 1.00 0.00 ATOM 911 CB ASN 112 -13.978 2.463 -4.585 1.00 0.00 ATOM 912 CG ASN 112 -15.147 3.269 -5.116 1.00 0.00 ATOM 913 ND2 ASN 112 -15.960 2.624 -5.939 1.00 0.00 ATOM 914 OD1 ASN 112 -15.206 4.520 -4.989 1.00 0.00 ATOM 915 O ASN 112 -12.008 2.625 -1.852 1.00 0.00 ATOM 916 C ASN 112 -11.790 2.611 -3.096 1.00 0.00 ATOM 917 N LYS 113 -10.755 1.992 -3.682 1.00 0.00 ATOM 918 CA LYS 113 -9.787 1.220 -2.890 1.00 0.00 ATOM 919 CB LYS 113 -8.716 0.543 -3.858 1.00 0.00 ATOM 920 CG LYS 113 -7.974 -0.672 -3.325 1.00 0.00 ATOM 921 CD LYS 113 -7.258 -1.418 -4.429 1.00 0.00 ATOM 922 CE LYS 113 -6.872 -2.825 -3.980 1.00 0.00 ATOM 923 NZ LYS 113 -8.061 -3.696 -3.701 1.00 0.00 ATOM 924 O LYS 113 -7.953 1.742 -1.390 1.00 0.00 ATOM 925 C LYS 113 -8.743 2.141 -2.260 1.00 0.00 ATOM 926 N VAL 114 -8.769 3.403 -2.619 1.00 0.00 ATOM 927 CA VAL 114 -7.814 4.369 -2.101 1.00 0.00 ATOM 928 CB VAL 114 -6.826 4.796 -3.232 1.00 0.00 ATOM 929 CG1 VAL 114 -5.758 5.727 -2.695 1.00 0.00 ATOM 930 CG2 VAL 114 -6.216 3.516 -3.833 1.00 0.00 ATOM 931 O VAL 114 -9.369 6.216 -2.133 1.00 0.00 ATOM 932 C VAL 114 -8.598 5.515 -1.457 1.00 0.00 ATOM 933 N SER 115 -8.348 5.660 -0.134 1.00 0.00 ATOM 934 CA SER 115 -8.986 6.791 0.539 1.00 0.00 ATOM 935 CB SER 115 -9.732 6.318 1.790 1.00 0.00 ATOM 936 OG SER 115 -10.270 7.417 2.506 1.00 0.00 ATOM 937 O SER 115 -6.895 7.434 1.522 1.00 0.00 ATOM 938 C SER 115 -7.911 7.788 0.945 1.00 0.00 ATOM 939 N ILE 116 -8.164 9.044 0.554 1.00 0.00 ATOM 940 CA ILE 116 -7.243 10.127 0.923 1.00 0.00 ATOM 941 CB ILE 116 -7.727 11.469 0.339 1.00 0.00 ATOM 942 CG1 ILE 116 -7.817 11.457 -1.181 1.00 0.00 ATOM 943 CG2 ILE 116 -6.855 12.620 0.868 1.00 0.00 ATOM 944 CD1 ILE 116 -8.650 12.545 -1.797 1.00 0.00 ATOM 945 O ILE 116 -6.033 10.314 3.007 1.00 0.00 ATOM 946 C ILE 116 -7.128 10.229 2.435 1.00 0.00 ATOM 947 N ALA 117 -8.662 10.252 3.150 1.00 0.00 ATOM 948 CA ALA 117 -8.622 10.478 4.591 1.00 0.00 ATOM 949 CB ALA 117 -10.015 10.259 5.213 1.00 0.00 ATOM 950 O ALA 117 -6.806 10.018 6.073 1.00 0.00 ATOM 951 C ALA 117 -7.583 9.557 5.252 1.00 0.00 ATOM 952 N TYR 118 -7.560 8.266 4.905 1.00 0.00 ATOM 953 CA TYR 118 -6.578 7.370 5.510 1.00 0.00 ATOM 954 CB TYR 118 -6.852 5.928 5.077 1.00 0.00 ATOM 955 CG TYR 118 -7.965 5.291 5.894 1.00 0.00 ATOM 956 CD1 TYR 118 -9.201 4.993 5.370 1.00 0.00 ATOM 957 CD2 TYR 118 -7.676 4.986 7.226 1.00 0.00 ATOM 958 CE1 TYR 118 -10.167 4.345 6.157 1.00 0.00 ATOM 959 CE2 TYR 118 -8.610 4.298 7.990 1.00 0.00 ATOM 960 CZ TYR 118 -9.830 4.007 7.446 1.00 0.00 ATOM 961 OH TYR 118 -10.725 3.301 8.246 1.00 0.00 ATOM 962 O TYR 118 -4.245 7.683 6.033 1.00 0.00 ATOM 963 C TYR 118 -5.145 7.757 5.218 1.00 0.00 ATOM 964 N HIS 119 -4.846 8.069 3.920 1.00 0.00 ATOM 965 CA HIS 119 -3.472 8.450 3.622 1.00 0.00 ATOM 966 CB HIS 119 -3.250 8.633 2.100 1.00 0.00 ATOM 967 CG HIS 119 -3.246 7.327 1.370 1.00 0.00 ATOM 968 CD2 HIS 119 -2.980 6.060 1.801 1.00 0.00 ATOM 969 ND1 HIS 119 -3.558 7.224 0.023 1.00 0.00 ATOM 970 CE1 HIS 119 -3.462 5.946 -0.341 1.00 0.00 ATOM 971 NE2 HIS 119 -3.072 5.230 0.712 1.00 0.00 ATOM 972 O HIS 119 -1.940 9.674 4.962 1.00 0.00 ATOM 973 C HIS 119 -3.029 9.674 4.389 1.00 0.00 ATOM 974 N THR 120 -3.843 10.718 4.447 1.00 0.00 ATOM 975 CA THR 120 -3.504 11.942 5.167 1.00 0.00 ATOM 976 CB THR 120 -4.572 13.029 4.940 1.00 0.00 ATOM 977 CG2 THR 120 -4.595 13.462 3.485 1.00 0.00 ATOM 978 OG1 THR 120 -5.860 12.518 5.306 1.00 0.00 ATOM 979 O THR 120 -2.777 12.405 7.410 1.00 0.00 ATOM 980 C THR 120 -3.410 11.659 6.663 1.00 0.00 ATOM 981 N LYS 121 -4.026 10.564 7.096 1.00 0.00 ATOM 982 CA LYS 121 -4.023 10.180 8.495 1.00 0.00 ATOM 983 CB LYS 121 -5.175 9.180 8.774 1.00 0.00 ATOM 984 CG LYS 121 -5.372 8.979 10.294 1.00 0.00 ATOM 985 CD LYS 121 -6.686 8.326 10.651 1.00 0.00 ATOM 986 CE LYS 121 -6.824 8.216 12.165 1.00 0.00 ATOM 987 NZ LYS 121 -8.132 7.627 12.563 1.00 0.00 ATOM 988 O LYS 121 -2.344 9.730 10.129 1.00 0.00 ATOM 989 C LYS 121 -2.636 9.802 8.946 1.00 0.00 ATOM 990 N LEU 122 -1.794 9.483 8.003 1.00 0.00 ATOM 991 CA LEU 122 -0.415 9.113 8.309 1.00 0.00 ATOM 992 CB LEU 122 -0.078 7.841 7.532 1.00 0.00 ATOM 993 CG LEU 122 -0.780 6.560 8.027 1.00 0.00 ATOM 994 CD1 LEU 122 -0.561 5.485 6.976 1.00 0.00 ATOM 995 CD2 LEU 122 -0.251 6.006 9.340 1.00 0.00 ATOM 996 O LEU 122 1.662 10.266 8.646 1.00 0.00 ATOM 997 C LEU 122 0.452 10.356 8.493 1.00 0.00 ATOM 998 N GLY 123 -0.075 11.533 8.275 1.00 0.00 ATOM 999 CA GLY 123 0.557 12.828 8.421 1.00 0.00 ATOM 1000 O GLY 123 2.251 14.086 7.289 1.00 0.00 ATOM 1001 C GLY 123 1.375 13.234 7.201 1.00 0.00 ATOM 1002 N PHE 124 1.089 12.624 6.057 1.00 0.00 ATOM 1003 CA PHE 124 1.827 12.953 4.863 1.00 0.00 ATOM 1004 CB PHE 124 1.739 11.844 3.800 1.00 0.00 ATOM 1005 CG PHE 124 2.159 10.464 4.213 1.00 0.00 ATOM 1006 CD1 PHE 124 3.134 10.240 5.176 1.00 0.00 ATOM 1007 CD2 PHE 124 1.592 9.348 3.600 1.00 0.00 ATOM 1008 CE1 PHE 124 3.494 8.955 5.527 1.00 0.00 ATOM 1009 CE2 PHE 124 1.952 8.063 3.944 1.00 0.00 ATOM 1010 CZ PHE 124 2.914 7.855 4.920 1.00 0.00 ATOM 1011 O PHE 124 0.024 14.493 4.413 1.00 0.00 ATOM 1012 C PHE 124 1.194 14.163 4.153 1.00 0.00 ATOM 1013 N ASP 125 1.984 14.823 3.304 1.00 0.00 ATOM 1014 CA ASP 125 1.572 15.991 2.548 1.00 0.00 ATOM 1015 CB ASP 125 2.466 16.569 1.733 1.00 0.00 ATOM 1016 CG ASP 125 2.557 17.956 2.320 1.00 0.00 ATOM 1017 OD1 ASP 125 1.940 18.243 3.357 1.00 0.00 ATOM 1018 OD2 ASP 125 3.293 18.766 1.699 1.00 0.00 ATOM 1019 O ASP 125 0.577 14.818 0.712 1.00 0.00 ATOM 1020 C ASP 125 0.432 15.672 1.587 1.00 0.00 ATOM 1021 N ILE 126 -0.667 16.408 1.689 1.00 0.00 ATOM 1022 CA ILE 126 -1.796 16.171 0.811 1.00 0.00 ATOM 1023 CB ILE 126 -2.922 17.172 1.056 1.00 0.00 ATOM 1024 CG1 ILE 126 -4.187 16.677 0.366 1.00 0.00 ATOM 1025 CG2 ILE 126 -2.548 18.561 0.608 1.00 0.00 ATOM 1026 CD1 ILE 126 -4.813 15.531 1.125 1.00 0.00 ATOM 1027 O ILE 126 -1.780 15.491 -1.477 1.00 0.00 ATOM 1028 C ILE 126 -1.414 16.322 -0.650 1.00 0.00 ATOM 1029 N GLU 127 -0.670 17.376 -0.964 1.00 0.00 ATOM 1030 CA GLU 127 -0.239 17.627 -2.332 1.00 0.00 ATOM 1031 CB GLU 127 0.631 18.879 -2.374 1.00 0.00 ATOM 1032 CG GLU 127 -0.199 20.139 -2.148 1.00 0.00 ATOM 1033 CD GLU 127 0.602 21.418 -2.065 1.00 0.00 ATOM 1034 OE1 GLU 127 1.852 21.348 -2.062 1.00 0.00 ATOM 1035 OE2 GLU 127 -0.031 22.497 -1.997 1.00 0.00 ATOM 1036 O GLU 127 0.251 16.130 -4.125 1.00 0.00 ATOM 1037 C GLU 127 0.507 16.470 -2.976 1.00 0.00 ATOM 1038 N LYS 128 1.442 15.880 -2.242 1.00 0.00 ATOM 1039 CA LYS 128 2.201 14.751 -2.770 1.00 0.00 ATOM 1040 CB LYS 128 3.362 14.557 -1.434 1.00 0.00 ATOM 1041 CG LYS 128 4.891 14.315 -1.688 1.00 0.00 ATOM 1042 CD LYS 128 5.571 14.921 -2.940 1.00 0.00 ATOM 1043 CE LYS 128 6.823 14.070 -3.191 1.00 0.00 ATOM 1044 NZ LYS 128 7.352 14.186 -4.548 1.00 0.00 ATOM 1045 O LYS 128 1.348 12.863 -3.977 1.00 0.00 ATOM 1046 C LYS 128 1.305 13.540 -2.944 1.00 0.00 ATOM 1047 N GLY 129 2.654 16.943 -6.843 1.00 0.00 ATOM 1048 CA GLY 129 1.635 17.543 -7.672 1.00 0.00 ATOM 1049 O GLY 129 0.922 17.058 -9.903 1.00 0.00 ATOM 1050 C GLY 129 1.128 16.611 -8.791 1.00 0.00 ATOM 1051 N THR 130 0.907 15.332 -8.489 1.00 0.00 ATOM 1052 CA THR 130 0.380 14.434 -9.509 1.00 0.00 ATOM 1053 CB THR 130 1.182 13.643 -10.349 1.00 0.00 ATOM 1054 CG2 THR 130 0.281 12.895 -11.338 1.00 0.00 ATOM 1055 OG1 THR 130 2.056 14.527 -11.085 1.00 0.00 ATOM 1056 O THR 130 -1.207 13.356 -8.057 1.00 0.00 ATOM 1057 C THR 130 -0.849 13.591 -9.209 1.00 0.00 ATOM 1058 N LYS 131 -1.473 13.132 -10.290 1.00 0.00 ATOM 1059 CA LYS 131 -2.623 12.238 -10.237 1.00 0.00 ATOM 1060 CB LYS 131 -3.770 12.790 -10.965 1.00 0.00 ATOM 1061 CG LYS 131 -3.591 13.322 -12.363 1.00 0.00 ATOM 1062 CD LYS 131 -4.174 14.711 -12.429 1.00 0.00 ATOM 1063 CE LYS 131 -5.051 14.938 -13.641 1.00 0.00 ATOM 1064 NZ LYS 131 -5.907 16.151 -13.414 1.00 0.00 ATOM 1065 O LYS 131 -1.114 11.057 -11.668 1.00 0.00 ATOM 1066 C LYS 131 -2.094 10.982 -10.928 1.00 0.00 ATOM 1067 N THR 132 -2.705 9.838 -10.698 1.00 0.00 ATOM 1068 CA THR 132 -2.263 8.571 -11.281 1.00 0.00 ATOM 1069 CB THR 132 -2.741 7.283 -10.495 1.00 0.00 ATOM 1070 CG2 THR 132 -2.491 7.439 -9.006 1.00 0.00 ATOM 1071 OG1 THR 132 -4.132 7.026 -10.738 1.00 0.00 ATOM 1072 O THR 132 -1.954 7.960 -13.578 1.00 0.00 ATOM 1073 C THR 132 -2.695 8.477 -12.740 1.00 0.00 ATOM 1074 N VAL 133 -3.888 8.967 -13.067 1.00 0.00 ATOM 1075 CA VAL 133 -4.404 8.842 -14.435 1.00 0.00 ATOM 1076 CB VAL 133 -5.235 7.502 -14.599 1.00 0.00 ATOM 1077 CG1 VAL 133 -4.435 6.296 -14.148 1.00 0.00 ATOM 1078 CG2 VAL 133 -6.495 7.635 -13.772 1.00 0.00 ATOM 1079 O VAL 133 -5.956 10.638 -14.137 1.00 0.00 ATOM 1080 C VAL 133 -5.049 10.182 -14.827 1.00 0.00 ATOM 1081 N ASN 134 -4.492 10.799 -15.851 1.00 0.00 ATOM 1082 CA ASN 134 -5.062 12.013 -16.448 1.00 0.00 ATOM 1083 CB ASN 134 -6.382 11.640 -17.190 1.00 0.00 ATOM 1084 CG ASN 134 -6.103 10.560 -18.236 1.00 0.00 ATOM 1085 ND2 ASN 134 -7.087 9.702 -18.488 1.00 0.00 ATOM 1086 OD1 ASN 134 -5.015 10.468 -18.792 1.00 0.00 ATOM 1087 O ASN 134 -6.196 14.007 -15.635 1.00 0.00 ATOM 1088 C ASN 134 -5.321 13.139 -15.438 1.00 0.00 ATOM 1089 N GLY 135 -4.540 13.131 -14.360 1.00 0.00 ATOM 1090 CA GLY 135 -4.686 14.158 -13.348 1.00 0.00 ATOM 1091 O GLY 135 -6.432 14.978 -11.928 1.00 0.00 ATOM 1092 C GLY 135 -5.973 14.021 -12.545 1.00 0.00 ATOM 1093 N ILE 136 -6.557 12.840 -12.546 1.00 0.00 ATOM 1094 CA ILE 136 -7.804 12.617 -11.805 1.00 0.00 ATOM 1095 CB ILE 136 -8.303 11.203 -11.878 1.00 0.00 ATOM 1096 CG1 ILE 136 -9.645 11.085 -11.152 1.00 0.00 ATOM 1097 CG2 ILE 136 -7.275 10.213 -11.336 1.00 0.00 ATOM 1098 CD1 ILE 136 -10.343 9.747 -11.383 1.00 0.00 ATOM 1099 O ILE 136 -8.398 13.416 -9.591 1.00 0.00 ATOM 1100 C ILE 136 -7.561 12.811 -10.315 1.00 0.00 ATOM 1101 N SER 137 -6.464 13.034 -8.221 1.00 0.00 ATOM 1102 CA SER 137 -6.241 12.069 -7.158 1.00 0.00 ATOM 1103 CB SER 137 -7.360 11.005 -7.208 1.00 0.00 ATOM 1104 OG SER 137 -7.329 10.360 -8.473 1.00 0.00 ATOM 1105 O SER 137 -4.788 10.230 -6.675 1.00 0.00 ATOM 1106 C SER 137 -4.901 11.343 -7.181 1.00 0.00 ATOM 1107 N VAL 138 -3.891 11.975 -7.793 1.00 0.00 ATOM 1108 CA VAL 138 -2.556 11.409 -7.852 1.00 0.00 ATOM 1109 CB VAL 138 -2.036 10.561 -8.741 1.00 0.00 ATOM 1110 CG1 VAL 138 -0.532 10.460 -8.568 1.00 0.00 ATOM 1111 CG2 VAL 138 -2.686 9.212 -8.472 1.00 0.00 ATOM 1112 O VAL 138 -1.804 13.538 -7.026 1.00 0.00 ATOM 1113 C VAL 138 -1.837 12.315 -6.861 1.00 0.00 ATOM 1114 N PHE 139 -1.306 11.688 -5.811 1.00 0.00 ATOM 1115 CA PHE 139 -0.639 12.453 -4.741 1.00 0.00 ATOM 1116 CB PHE 139 -1.446 12.381 -3.453 1.00 0.00 ATOM 1117 CG PHE 139 -2.479 13.485 -3.403 1.00 0.00 ATOM 1118 CD1 PHE 139 -2.108 14.816 -3.520 1.00 0.00 ATOM 1119 CD2 PHE 139 -3.808 13.160 -3.199 1.00 0.00 ATOM 1120 CE1 PHE 139 -3.099 15.795 -3.464 1.00 0.00 ATOM 1121 CE2 PHE 139 -4.799 14.136 -3.126 1.00 0.00 ATOM 1122 CZ PHE 139 -4.425 15.455 -3.290 1.00 0.00 ATOM 1123 O PHE 139 0.511 10.394 -4.338 1.00 0.00 ATOM 1124 C PHE 139 0.530 11.600 -4.248 1.00 0.00 ATOM 1125 N ALA 140 1.594 12.205 -3.770 1.00 0.00 ATOM 1126 CA ALA 140 2.748 11.463 -3.281 1.00 0.00 ATOM 1127 CB ALA 140 3.675 11.046 -4.427 1.00 0.00 ATOM 1128 O ALA 140 3.581 13.597 -2.608 1.00 0.00 ATOM 1129 C ALA 140 3.511 12.392 -2.360 1.00 0.00 ATOM 1130 N ASN 141 4.064 11.833 -1.307 1.00 0.00 ATOM 1131 CA ASN 141 4.839 12.585 -0.319 1.00 0.00 ATOM 1132 CB ASN 141 4.337 12.094 0.972 1.00 0.00 ATOM 1133 CG ASN 141 3.494 13.303 1.339 1.00 0.00 ATOM 1134 ND2 ASN 141 2.187 13.167 1.178 1.00 0.00 ATOM 1135 OD1 ASN 141 4.038 14.348 1.708 1.00 0.00 ATOM 1136 O ASN 141 6.167 10.555 -0.095 1.00 0.00 ATOM 1137 C ASN 141 6.104 11.774 0.079 1.00 0.00 ATOM 1138 N TYR 142 7.047 12.534 0.624 1.00 0.00 ATOM 1139 CA TYR 142 8.331 11.989 1.086 1.00 0.00 ATOM 1140 CB TYR 142 9.536 12.517 0.223 1.00 0.00 ATOM 1141 CG TYR 142 9.774 13.984 0.395 1.00 0.00 ATOM 1142 CD1 TYR 142 9.079 14.930 -0.387 1.00 0.00 ATOM 1143 CD2 TYR 142 10.653 14.435 1.400 1.00 0.00 ATOM 1144 CE1 TYR 142 9.288 16.289 -0.222 1.00 0.00 ATOM 1145 CE2 TYR 142 10.863 15.784 1.564 1.00 0.00 ATOM 1146 CZ TYR 142 10.177 16.701 0.766 1.00 0.00 ATOM 1147 OH TYR 142 10.438 18.026 0.970 1.00 0.00 ATOM 1148 O TYR 142 9.468 11.380 3.103 1.00 0.00 ATOM 1149 C TYR 142 8.636 12.120 2.566 1.00 0.00 ATOM 1150 N ASP 143 7.986 13.035 3.229 1.00 0.00 ATOM 1151 CA ASP 143 8.190 13.308 4.670 1.00 0.00 ATOM 1152 CB ASP 143 7.752 14.761 4.736 1.00 0.00 ATOM 1153 CG ASP 143 9.049 15.507 4.779 1.00 0.00 ATOM 1154 OD1 ASP 143 10.115 14.883 4.965 1.00 0.00 ATOM 1155 OD2 ASP 143 9.041 16.768 4.646 1.00 0.00 ATOM 1156 O ASP 143 5.850 12.989 5.249 1.00 0.00 ATOM 1157 C ASP 143 7.023 12.586 5.358 1.00 0.00 ATOM 1158 N GLY 144 7.352 11.465 5.985 1.00 0.00 ATOM 1159 CA GLY 144 6.344 10.638 6.636 1.00 0.00 ATOM 1160 O GLY 144 6.289 12.305 8.380 1.00 0.00 ATOM 1161 C GLY 144 5.716 11.361 7.819 1.00 0.00 ATOM 1162 N PRO 145 4.546 10.927 8.266 1.00 0.00 ATOM 1163 CA PRO 145 3.834 11.551 9.393 1.00 0.00 ATOM 1164 CB PRO 145 2.701 10.581 9.612 1.00 0.00 ATOM 1165 CG PRO 145 3.442 9.281 9.370 1.00 0.00 ATOM 1166 CD PRO 145 4.171 9.569 8.080 1.00 0.00 ATOM 1167 O PRO 145 4.063 12.540 11.571 1.00 0.00 ATOM 1168 C PRO 145 4.592 11.847 10.697 1.00 0.00 ATOM 1169 N GLY 146 5.808 11.327 10.838 1.00 0.00 ATOM 1170 CA GLY 146 6.561 11.577 12.056 1.00 0.00 ATOM 1171 O GLY 146 8.576 12.693 12.730 1.00 0.00 ATOM 1172 C GLY 146 7.800 12.415 11.809 1.00 0.00 ATOM 1173 N GLN 147 7.986 12.814 10.554 1.00 0.00 ATOM 1174 CA GLN 147 9.142 13.608 10.155 1.00 0.00 ATOM 1175 CB GLN 147 9.154 13.767 8.637 1.00 0.00 ATOM 1176 CG GLN 147 10.389 14.459 8.102 1.00 0.00 ATOM 1177 CD GLN 147 11.663 13.827 8.610 1.00 0.00 ATOM 1178 OE1 GLN 147 12.168 14.186 9.678 1.00 0.00 ATOM 1179 NE2 GLN 147 12.186 12.865 7.856 1.00 0.00 ATOM 1180 O GLN 147 8.084 15.569 11.037 1.00 0.00 ATOM 1181 C GLN 147 9.145 14.980 10.816 1.00 0.00 ATOM 1182 N ASP 148 10.335 15.474 11.108 1.00 0.00 ATOM 1183 CA ASP 148 10.479 16.782 11.754 1.00 0.00 ATOM 1184 CB ASP 148 11.926 17.010 12.166 1.00 0.00 ATOM 1185 CG ASP 148 12.369 15.967 13.190 1.00 0.00 ATOM 1186 OD1 ASP 148 11.551 15.599 14.046 1.00 0.00 ATOM 1187 OD2 ASP 148 13.548 15.562 13.092 1.00 0.00 ATOM 1188 O ASP 148 9.249 18.806 11.339 1.00 0.00 ATOM 1189 C ASP 148 9.943 17.882 10.858 1.00 0.00 ATOM 1190 N ARG 149 10.253 17.826 9.571 1.00 0.00 ATOM 1191 CA ARG 149 9.737 18.803 8.617 1.00 0.00 ATOM 1192 CB ARG 149 10.390 18.591 7.246 1.00 0.00 ATOM 1193 CG ARG 149 10.207 19.737 6.257 1.00 0.00 ATOM 1194 CD ARG 149 10.824 21.034 6.777 1.00 0.00 ATOM 1195 NE ARG 149 12.096 20.799 7.462 1.00 0.00 ATOM 1196 CZ ARG 149 13.204 20.356 6.876 1.00 0.00 ATOM 1197 NH1 ARG 149 13.222 20.100 5.575 1.00 0.00 ATOM 1198 NH2 ARG 149 14.293 20.137 7.601 1.00 0.00 ATOM 1199 O ARG 149 7.552 19.760 8.371 1.00 0.00 ATOM 1200 C ARG 149 8.220 18.731 8.476 1.00 0.00 ATOM 1201 N VAL 150 7.700 17.496 8.466 1.00 0.00 ATOM 1202 CA VAL 150 6.231 17.358 8.340 1.00 0.00 ATOM 1203 CB VAL 150 5.765 15.979 8.002 1.00 0.00 ATOM 1204 CG1 VAL 150 4.252 15.860 8.211 1.00 0.00 ATOM 1205 CG2 VAL 150 6.138 15.671 6.552 1.00 0.00 ATOM 1206 O VAL 150 4.571 18.572 9.646 1.00 0.00 ATOM 1207 C VAL 150 5.582 17.848 9.620 1.00 0.00 ATOM 1208 N LEU 151 6.134 17.482 10.790 1.00 0.00 ATOM 1209 CA LEU 151 5.618 17.879 12.071 1.00 0.00 ATOM 1210 CB LEU 151 6.563 17.470 13.197 1.00 0.00 ATOM 1211 CG LEU 151 6.139 17.803 14.632 1.00 0.00 ATOM 1212 CD1 LEU 151 4.743 17.252 14.932 1.00 0.00 ATOM 1213 CD2 LEU 151 7.166 17.204 15.592 1.00 0.00 ATOM 1214 O LEU 151 4.441 19.861 12.704 1.00 0.00 ATOM 1215 C LEU 151 5.475 19.405 12.198 1.00 0.00 ATOM 1216 N PHE 152 6.480 20.164 11.768 1.00 0.00 ATOM 1217 CA PHE 152 6.428 21.624 11.903 1.00 0.00 ATOM 1218 CB PHE 152 7.814 22.181 12.228 1.00 0.00 ATOM 1219 CG PHE 152 8.298 21.839 13.607 1.00 0.00 ATOM 1220 CD1 PHE 152 7.425 21.343 14.558 1.00 0.00 ATOM 1221 CD2 PHE 152 9.627 22.012 13.953 1.00 0.00 ATOM 1222 CE1 PHE 152 7.870 21.027 15.830 1.00 0.00 ATOM 1223 CE2 PHE 152 10.073 21.695 15.223 1.00 0.00 ATOM 1224 CZ PHE 152 9.202 21.205 16.158 1.00 0.00 ATOM 1225 O PHE 152 6.514 23.304 10.196 1.00 0.00 ATOM 1226 C PHE 152 5.945 22.296 10.620 1.00 0.00 ATOM 1227 N VAL 153 4.902 21.768 9.986 1.00 0.00 ATOM 1228 CA VAL 153 4.340 22.310 8.754 1.00 0.00 ATOM 1229 CB VAL 153 4.611 21.358 7.582 1.00 0.00 ATOM 1230 CG1 VAL 153 3.961 21.909 6.319 1.00 0.00 ATOM 1231 CG2 VAL 153 6.131 21.239 7.364 1.00 0.00 ATOM 1232 O VAL 153 2.267 21.294 9.347 1.00 0.00 ATOM 1233 C VAL 153 2.825 22.300 8.922 1.00 0.00 ATOM 1234 N LYS 154 2.167 23.407 8.604 1.00 0.00 ATOM 1235 CA LYS 154 0.727 23.532 8.662 1.00 0.00 ATOM 1236 CB LYS 154 0.215 24.917 8.196 1.00 0.00 ATOM 1237 CG LYS 154 0.649 26.105 9.015 1.00 0.00 ATOM 1238 CD LYS 154 -0.043 27.382 8.518 1.00 0.00 ATOM 1239 CE LYS 154 0.727 28.624 8.953 1.00 0.00 ATOM 1240 NZ LYS 154 -0.044 29.845 8.555 1.00 0.00 ATOM 1241 O LYS 154 -0.925 21.863 8.139 1.00 0.00 ATOM 1242 C LYS 154 0.036 22.515 7.754 1.00 0.00 ATOM 1243 N ASN 155 0.606 22.310 6.564 1.00 0.00 ATOM 1244 CA ASN 155 0.096 21.288 5.660 1.00 0.00 ATOM 1245 CB ASN 155 0.807 21.408 4.299 1.00 0.00 ATOM 1246 CG ASN 155 0.103 22.488 3.480 1.00 0.00 ATOM 1247 ND2 ASN 155 0.561 23.719 3.614 1.00 0.00 ATOM 1248 OD1 ASN 155 -0.853 22.168 2.761 1.00 0.00 ATOM 1249 O ASN 155 -0.556 19.007 5.820 1.00 0.00 ATOM 1250 C ASN 155 0.214 19.897 6.237 1.00 0.00 ATOM 1251 N ILE 156 1.179 19.604 7.099 1.00 0.00 ATOM 1252 CA ILE 156 1.292 18.270 7.674 1.00 0.00 ATOM 1253 CB ILE 156 2.771 17.792 7.652 1.00 0.00 ATOM 1254 CG1 ILE 156 3.490 17.878 6.309 1.00 0.00 ATOM 1255 CG2 ILE 156 2.929 16.371 8.146 1.00 0.00 ATOM 1256 CD1 ILE 156 2.791 17.165 5.169 1.00 0.00 ATOM 1257 O ILE 156 0.919 18.939 9.948 1.00 0.00 ATOM 1258 C ILE 156 0.625 18.143 9.034 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:29:08 2002 Date: Thu, 5 Sep 2002 15:29:02 -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 Sep 5 14:59:54 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_828234_42049 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_2 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 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: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 2 PARENT N/A ATOM 1 N MET 1 8.227 8.094 -2.236 1.00 0.00 ATOM 2 CA MET 1 8.209 8.458 -0.818 1.00 0.00 ATOM 3 CB MET 1 6.756 8.813 -0.498 1.00 0.00 ATOM 4 CG MET 1 6.445 10.215 -1.054 1.00 0.00 ATOM 5 SD MET 1 4.975 10.686 -0.110 1.00 0.00 ATOM 6 CE MET 1 5.002 9.360 1.107 1.00 0.00 ATOM 7 O MET 1 8.346 6.218 0.181 1.00 0.00 ATOM 8 C MET 1 8.672 7.426 0.183 1.00 0.00 ATOM 9 N ASP 2 9.477 7.810 1.154 1.00 0.00 ATOM 10 CA ASP 2 10.168 6.775 1.918 1.00 0.00 ATOM 11 CB ASP 2 11.433 7.348 2.585 1.00 0.00 ATOM 12 CG ASP 2 12.494 7.862 1.638 1.00 0.00 ATOM 13 OD1 ASP 2 12.594 7.358 0.510 1.00 0.00 ATOM 14 OD2 ASP 2 13.244 8.772 2.054 1.00 0.00 ATOM 15 O ASP 2 8.337 6.664 3.487 1.00 0.00 ATOM 16 C ASP 2 9.297 6.081 2.964 1.00 0.00 ATOM 17 N ILE 3 9.624 4.820 3.266 1.00 0.00 ATOM 18 CA ILE 3 8.875 4.085 4.267 1.00 0.00 ATOM 19 CB ILE 3 9.011 2.558 4.056 1.00 0.00 ATOM 20 CG1 ILE 3 8.364 2.176 2.727 1.00 0.00 ATOM 21 CG2 ILE 3 8.312 1.810 5.204 1.00 0.00 ATOM 22 CD1 ILE 3 8.671 0.750 2.245 1.00 0.00 ATOM 23 O ILE 3 10.583 4.255 5.987 1.00 0.00 ATOM 24 C ILE 3 9.417 4.503 5.657 1.00 0.00 ATOM 25 N ARG 4 8.575 5.164 6.444 1.00 0.00 ATOM 26 CA ARG 4 8.949 5.601 7.760 1.00 0.00 ATOM 27 CB ARG 4 7.864 6.526 8.319 1.00 0.00 ATOM 28 CG ARG 4 8.327 7.926 8.545 1.00 0.00 ATOM 29 CD ARG 4 7.766 8.514 9.839 1.00 0.00 ATOM 30 NE ARG 4 6.320 8.728 9.790 1.00 0.00 ATOM 31 CZ ARG 4 5.550 9.003 10.858 1.00 0.00 ATOM 32 NH1 ARG 4 6.038 9.131 12.062 1.00 0.00 ATOM 33 NH2 ARG 4 4.244 9.162 10.741 1.00 0.00 ATOM 34 O ARG 4 10.053 4.467 9.640 1.00 0.00 ATOM 35 C ARG 4 9.263 4.403 8.685 1.00 0.00 ATOM 36 N THR 5 8.707 3.239 8.420 1.00 0.00 ATOM 37 CA THR 5 9.135 2.160 9.287 1.00 0.00 ATOM 38 CB THR 5 8.517 0.776 8.746 1.00 0.00 ATOM 39 CG2 THR 5 8.416 -0.347 9.748 1.00 0.00 ATOM 40 OG1 THR 5 7.189 1.020 8.266 1.00 0.00 ATOM 41 O THR 5 11.410 1.490 9.481 1.00 0.00 ATOM 42 C THR 5 10.463 1.635 8.778 1.00 0.00 ATOM 43 N ILE 6 10.562 1.325 7.531 1.00 0.00 ATOM 44 CA ILE 6 11.827 0.790 7.039 1.00 0.00 ATOM 45 CB ILE 6 11.410 0.357 5.444 1.00 0.00 ATOM 46 CG1 ILE 6 10.436 -0.800 5.437 1.00 0.00 ATOM 47 CG2 ILE 6 12.701 0.028 4.685 1.00 0.00 ATOM 48 CD1 ILE 6 9.905 -1.181 4.091 1.00 0.00 ATOM 49 O ILE 6 12.432 3.074 6.604 1.00 0.00 ATOM 50 C ILE 6 12.798 1.901 6.647 1.00 0.00 ATOM 51 N THR 7 14.056 1.533 6.434 1.00 0.00 ATOM 52 CA THR 7 15.087 2.472 5.992 1.00 0.00 ATOM 53 CB THR 7 16.125 2.816 7.097 1.00 0.00 ATOM 54 CG2 THR 7 15.439 3.175 8.413 1.00 0.00 ATOM 55 OG1 THR 7 17.005 1.702 7.293 1.00 0.00 ATOM 56 O THR 7 15.561 0.473 4.746 1.00 0.00 ATOM 57 C THR 7 15.789 1.686 4.888 1.00 0.00 ATOM 58 N SER 8 16.648 2.341 4.094 1.00 0.00 ATOM 59 CA SER 8 17.357 1.645 3.014 1.00 0.00 ATOM 60 CB SER 8 18.312 2.619 2.310 1.00 0.00 ATOM 61 OG SER 8 19.294 3.101 3.209 1.00 0.00 ATOM 62 O SER 8 18.406 -0.481 2.658 1.00 0.00 ATOM 63 C SER 8 18.142 0.402 3.464 1.00 0.00 ATOM 64 N SER 9 18.475 0.317 4.754 1.00 0.00 ATOM 65 CA SER 9 19.212 -0.828 5.276 1.00 0.00 ATOM 66 CB SER 9 19.725 -0.536 6.693 1.00 0.00 ATOM 67 OG SER 9 18.675 -0.122 7.547 1.00 0.00 ATOM 68 O SER 9 19.024 -3.213 5.316 1.00 0.00 ATOM 69 C SER 9 18.427 -2.140 5.260 1.00 0.00 ATOM 70 N ASP 10 17.099 -2.068 5.190 1.00 0.00 ATOM 71 CA ASP 10 16.294 -3.288 5.143 1.00 0.00 ATOM 72 CB ASP 10 15.074 -3.178 6.081 1.00 0.00 ATOM 73 CG ASP 10 14.122 -2.044 5.710 1.00 0.00 ATOM 74 OD1 ASP 10 14.589 -0.962 5.313 1.00 0.00 ATOM 75 OD2 ASP 10 12.898 -2.214 5.897 1.00 0.00 ATOM 76 O ASP 10 15.150 -4.687 3.546 1.00 0.00 ATOM 77 C ASP 10 15.852 -3.687 3.728 1.00 0.00 ATOM 78 N TYR 11 16.428 -2.818 2.623 1.00 0.00 ATOM 79 CA TYR 11 16.226 -3.150 1.211 1.00 0.00 ATOM 80 CB TYR 11 17.567 -3.357 0.497 1.00 0.00 ATOM 81 CG TYR 11 18.443 -2.127 0.494 1.00 0.00 ATOM 82 CD1 TYR 11 19.614 -2.077 1.261 1.00 0.00 ATOM 83 CD2 TYR 11 18.095 -1.003 -0.251 1.00 0.00 ATOM 84 CE1 TYR 11 20.413 -0.936 1.289 1.00 0.00 ATOM 85 CE2 TYR 11 18.895 0.150 -0.233 1.00 0.00 ATOM 86 CZ TYR 11 20.046 0.169 0.540 1.00 0.00 ATOM 87 OH TYR 11 20.838 1.294 0.568 1.00 0.00 ATOM 88 O TYR 11 15.656 -5.245 0.201 1.00 0.00 ATOM 89 C TYR 11 16.489 -4.610 0.850 1.00 0.00 ATOM 90 N GLU 12 17.662 -5.132 1.297 1.00 0.00 ATOM 91 CA GLU 12 17.969 -6.491 0.989 1.00 0.00 ATOM 92 CB GLU 12 19.384 -6.825 1.447 1.00 0.00 ATOM 93 CG GLU 12 20.349 -5.793 0.851 1.00 0.00 ATOM 94 CD GLU 12 20.363 -4.494 1.622 1.00 0.00 ATOM 95 OE1 GLU 12 20.009 -4.663 2.864 1.00 0.00 ATOM 96 OE2 GLU 12 20.653 -3.403 1.178 1.00 0.00 ATOM 97 O GLU 12 16.449 -8.306 0.977 1.00 0.00 ATOM 98 C GLU 12 16.922 -7.370 1.622 1.00 0.00 ATOM 99 N MET 13 16.571 -7.041 2.865 1.00 0.00 ATOM 100 CA MET 13 15.569 -7.836 3.557 1.00 0.00 ATOM 101 CB MET 13 15.444 -7.387 5.010 1.00 0.00 ATOM 102 CG MET 13 16.657 -7.790 5.834 1.00 0.00 ATOM 103 SD MET 13 16.744 -9.589 6.138 1.00 0.00 ATOM 104 CE MET 13 18.264 -9.681 7.115 1.00 0.00 ATOM 105 O MET 13 13.552 -8.791 2.597 1.00 0.00 ATOM 106 C MET 13 14.244 -7.789 2.821 1.00 0.00 ATOM 107 N VAL 14 13.912 -6.574 2.419 1.00 0.00 ATOM 108 CA VAL 14 12.687 -6.403 1.679 1.00 0.00 ATOM 109 CB VAL 14 12.570 -4.928 1.253 1.00 0.00 ATOM 110 CG1 VAL 14 11.406 -4.743 0.273 1.00 0.00 ATOM 111 CG2 VAL 14 12.292 -4.037 2.462 1.00 0.00 ATOM 112 O VAL 14 11.716 -8.044 0.170 1.00 0.00 ATOM 113 C VAL 14 12.682 -7.294 0.432 1.00 0.00 ATOM 114 N THR 15 13.799 -7.177 -0.324 1.00 0.00 ATOM 115 CA THR 15 13.974 -7.918 -1.556 1.00 0.00 ATOM 116 CB THR 15 15.215 -7.401 -2.325 1.00 0.00 ATOM 117 CG2 THR 15 16.505 -7.647 -1.545 1.00 0.00 ATOM 118 OG1 THR 15 15.276 -8.032 -3.604 1.00 0.00 ATOM 119 O THR 15 13.342 -10.201 -2.092 1.00 0.00 ATOM 120 C THR 15 13.965 -9.452 -1.329 1.00 0.00 ATOM 121 N SER 16 14.555 -9.910 -0.227 1.00 0.00 ATOM 122 CA SER 16 14.551 -11.348 0.070 1.00 0.00 ATOM 123 CB SER 16 15.582 -11.672 1.150 1.00 0.00 ATOM 124 OG SER 16 16.885 -11.505 0.620 1.00 0.00 ATOM 125 O SER 16 12.791 -12.977 0.222 1.00 0.00 ATOM 126 C SER 16 13.158 -11.831 0.480 1.00 0.00 ATOM 127 N VAL 17 12.391 -10.959 1.139 1.00 0.00 ATOM 128 CA VAL 17 11.019 -11.285 1.550 1.00 0.00 ATOM 129 CB VAL 17 10.400 -10.160 2.442 1.00 0.00 ATOM 130 CG1 VAL 17 8.922 -10.425 2.685 1.00 0.00 ATOM 131 CG2 VAL 17 11.138 -10.082 3.779 1.00 0.00 ATOM 132 O VAL 17 9.293 -12.425 0.318 1.00 0.00 ATOM 133 C VAL 17 10.129 -11.528 0.314 1.00 0.00 ATOM 134 N LEU 18 10.332 -10.747 -0.741 1.00 0.00 ATOM 135 CA LEU 18 9.557 -10.913 -1.968 1.00 0.00 ATOM 136 CB LEU 18 9.724 -9.687 -2.874 1.00 0.00 ATOM 137 CG LEU 18 9.171 -8.345 -2.378 1.00 0.00 ATOM 138 CD1 LEU 18 9.522 -7.246 -3.362 1.00 0.00 ATOM 139 CD2 LEU 18 7.665 -8.418 -2.158 1.00 0.00 ATOM 140 O LEU 18 9.098 -12.906 -3.249 1.00 0.00 ATOM 141 C LEU 18 9.955 -12.197 -2.714 1.00 0.00 ATOM 142 N ASN 19 11.254 -12.492 -2.735 1.00 0.00 ATOM 143 CA ASN 19 11.768 -13.688 -3.391 1.00 0.00 ATOM 144 CB ASN 19 13.323 -13.594 -3.441 1.00 0.00 ATOM 145 CG ASN 19 13.788 -12.791 -4.634 1.00 0.00 ATOM 146 ND2 ASN 19 15.095 -12.522 -4.697 1.00 0.00 ATOM 147 OD1 ASN 19 13.004 -12.455 -5.515 1.00 0.00 ATOM 148 O ASN 19 11.224 -16.024 -3.351 1.00 0.00 ATOM 149 C ASN 19 11.366 -14.987 -2.699 1.00 0.00 ATOM 150 N GLU 20 11.201 -14.939 -1.378 1.00 0.00 ATOM 151 CA GLU 20 10.812 -16.120 -0.608 1.00 0.00 ATOM 152 CB GLU 20 11.338 -15.855 0.877 1.00 0.00 ATOM 153 CG GLU 20 12.806 -15.565 0.821 1.00 0.00 ATOM 154 CD GLU 20 13.550 -15.642 2.140 1.00 0.00 ATOM 155 OE1 GLU 20 12.952 -15.379 3.212 1.00 0.00 ATOM 156 OE2 GLU 20 14.767 -15.946 2.079 1.00 0.00 ATOM 157 O GLU 20 8.842 -17.471 -0.348 1.00 0.00 ATOM 158 C GLU 20 9.306 -16.357 -0.621 1.00 0.00 ATOM 159 N TRP 21 8.545 -15.302 -0.916 1.00 0.00 ATOM 160 CA TRP 21 7.088 -15.389 -0.971 1.00 0.00 ATOM 161 CB TRP 21 6.187 -14.543 -0.413 1.00 0.00 ATOM 162 CG TRP 21 6.251 -14.423 1.070 1.00 0.00 ATOM 163 CD1 TRP 21 6.776 -15.327 1.951 1.00 0.00 ATOM 164 CD2 TRP 21 5.755 -13.333 1.859 1.00 0.00 ATOM 165 CE2 TRP 21 6.011 -13.646 3.210 1.00 0.00 ATOM 166 CE3 TRP 21 5.121 -12.119 1.551 1.00 0.00 ATOM 167 NE1 TRP 21 6.633 -14.867 3.237 1.00 0.00 ATOM 168 CZ2 TRP 21 5.650 -12.787 4.262 1.00 0.00 ATOM 169 CZ3 TRP 21 4.767 -11.265 2.592 1.00 0.00 ATOM 170 CH2 TRP 21 5.031 -11.605 3.932 1.00 0.00 ATOM 171 O TRP 21 5.779 -16.459 -2.675 1.00 0.00 ATOM 172 C TRP 21 6.597 -15.582 -2.410 1.00 0.00 ATOM 173 N TRP 22 7.097 -14.764 -3.336 1.00 0.00 ATOM 174 CA TRP 22 6.718 -14.873 -4.748 1.00 0.00 ATOM 175 CB TRP 22 5.887 -13.672 -5.200 1.00 0.00 ATOM 176 CG TRP 22 4.613 -13.512 -4.459 1.00 0.00 ATOM 177 CD1 TRP 22 3.487 -14.269 -4.588 1.00 0.00 ATOM 178 CD2 TRP 22 4.329 -12.536 -3.453 1.00 0.00 ATOM 179 CE2 TRP 22 3.003 -12.765 -3.012 1.00 0.00 ATOM 180 CE3 TRP 22 5.068 -11.490 -2.881 1.00 0.00 ATOM 181 NE1 TRP 22 2.514 -13.828 -3.722 1.00 0.00 ATOM 182 CZ2 TRP 22 2.395 -11.987 -2.018 1.00 0.00 ATOM 183 CZ3 TRP 22 4.462 -10.713 -1.891 1.00 0.00 ATOM 184 CH2 TRP 22 3.133 -10.972 -1.469 1.00 0.00 ATOM 185 O TRP 22 8.294 -14.082 -6.393 1.00 0.00 ATOM 186 C TRP 22 7.945 -15.011 -5.656 1.00 0.00 ATOM 187 N GLY 23 8.619 -16.175 -5.609 1.00 0.00 ATOM 188 CA GLY 23 9.803 -16.406 -6.441 1.00 0.00 ATOM 189 O GLY 23 10.391 -16.209 -8.752 1.00 0.00 ATOM 190 C GLY 23 9.498 -16.420 -7.936 1.00 0.00 ATOM 191 N GLY 24 8.241 -16.656 -8.294 1.00 0.00 ATOM 192 CA GLY 24 7.851 -16.681 -9.702 1.00 0.00 ATOM 193 O GLY 24 7.705 -15.074 -11.472 1.00 0.00 ATOM 194 C GLY 24 7.718 -15.271 -10.258 1.00 0.00 ATOM 195 N ARG 25 7.617 -14.290 -9.367 1.00 0.00 ATOM 196 CA ARG 25 7.464 -12.903 -9.777 1.00 0.00 ATOM 197 CB ARG 25 6.391 -12.239 -8.866 1.00 0.00 ATOM 198 CG ARG 25 5.446 -11.227 -9.453 1.00 0.00 ATOM 199 CD ARG 25 4.285 -10.858 -8.541 1.00 0.00 ATOM 200 NE ARG 25 3.055 -11.637 -8.741 1.00 0.00 ATOM 201 CZ ARG 25 2.064 -11.283 -9.562 1.00 0.00 ATOM 202 NH1 ARG 25 2.197 -10.183 -10.302 1.00 0.00 ATOM 203 NH2 ARG 25 0.955 -12.007 -9.712 1.00 0.00 ATOM 204 O ARG 25 9.053 -11.180 -10.301 1.00 0.00 ATOM 205 C ARG 25 8.736 -12.099 -9.539 1.00 0.00 ATOM 206 N GLN 26 9.470 -12.467 -8.490 1.00 0.00 ATOM 207 CA GLN 26 10.706 -11.788 -8.133 1.00 0.00 ATOM 208 CB GLN 26 10.581 -11.003 -6.881 1.00 0.00 ATOM 209 CG GLN 26 9.398 -10.016 -6.966 1.00 0.00 ATOM 210 CD GLN 26 9.852 -8.898 -7.867 1.00 0.00 ATOM 211 OE1 GLN 26 10.978 -8.426 -7.709 1.00 0.00 ATOM 212 NE2 GLN 26 9.040 -8.518 -8.831 1.00 0.00 ATOM 213 O GLN 26 11.964 -13.767 -7.593 1.00 0.00 ATOM 214 C GLN 26 11.912 -12.722 -8.244 1.00 0.00 ATOM 215 N LEU 27 12.879 -12.339 -9.073 1.00 0.00 ATOM 216 CA LEU 27 14.065 -13.159 -9.265 1.00 0.00 ATOM 217 CB LEU 27 14.339 -14.314 -9.847 1.00 0.00 ATOM 218 CG LEU 27 13.443 -15.521 -9.560 1.00 0.00 ATOM 219 CD1 LEU 27 13.717 -16.621 -10.562 1.00 0.00 ATOM 220 CD2 LEU 27 13.699 -16.018 -8.141 1.00 0.00 ATOM 221 O LEU 27 15.699 -11.754 -8.226 1.00 0.00 ATOM 222 C LEU 27 15.375 -12.399 -9.227 1.00 0.00 ATOM 223 N LYS 28 16.139 -12.493 -10.321 1.00 0.00 ATOM 224 CA LYS 28 17.433 -11.816 -10.403 1.00 0.00 ATOM 225 CB LYS 28 18.102 -12.113 -11.736 1.00 0.00 ATOM 226 CG LYS 28 19.426 -11.471 -11.906 1.00 0.00 ATOM 227 CD LYS 28 20.211 -12.185 -12.973 1.00 0.00 ATOM 228 CE LYS 28 21.585 -11.644 -13.135 1.00 0.00 ATOM 229 NZ LYS 28 21.456 -10.284 -13.723 1.00 0.00 ATOM 230 O LYS 28 17.968 -9.631 -9.482 1.00 0.00 ATOM 231 C LYS 28 17.246 -10.282 -10.261 1.00 0.00 ATOM 232 N GLU 29 16.314 -9.691 -10.987 1.00 0.00 ATOM 233 CA GLU 29 16.063 -8.254 -10.893 1.00 0.00 ATOM 234 CB GLU 29 15.233 -7.999 -12.251 1.00 0.00 ATOM 235 CG GLU 29 16.172 -8.005 -13.420 1.00 0.00 ATOM 236 CD GLU 29 16.431 -9.387 -13.968 1.00 0.00 ATOM 237 OE1 GLU 29 15.701 -10.338 -13.617 1.00 0.00 ATOM 238 OE2 GLU 29 17.356 -9.496 -14.794 1.00 0.00 ATOM 239 O GLU 29 14.375 -6.952 -9.795 1.00 0.00 ATOM 240 C GLU 29 15.089 -7.951 -9.761 1.00 0.00 ATOM 241 N LYS 30 15.093 -8.830 -8.759 1.00 0.00 ATOM 242 CA LYS 30 14.208 -8.684 -7.610 1.00 0.00 ATOM 243 CB LYS 30 14.790 -9.852 -6.535 1.00 0.00 ATOM 244 CG LYS 30 15.365 -11.156 -7.045 1.00 0.00 ATOM 245 CD LYS 30 16.333 -11.696 -5.973 1.00 0.00 ATOM 246 CE LYS 30 17.777 -11.374 -6.316 1.00 0.00 ATOM 247 NZ LYS 30 18.677 -11.551 -5.138 1.00 0.00 ATOM 248 O LYS 30 13.725 -6.736 -6.282 1.00 0.00 ATOM 249 C LYS 30 14.594 -7.464 -6.771 1.00 0.00 ATOM 250 N LEU 31 15.897 -7.241 -6.617 1.00 0.00 ATOM 251 CA LEU 31 16.379 -6.108 -5.836 1.00 0.00 ATOM 252 CB LEU 31 17.891 -6.190 -5.650 1.00 0.00 ATOM 253 CG LEU 31 18.448 -5.263 -4.565 1.00 0.00 ATOM 254 CD1 LEU 31 17.881 -5.661 -3.194 1.00 0.00 ATOM 255 CD2 LEU 31 19.968 -5.331 -4.565 1.00 0.00 ATOM 256 O LEU 31 15.546 -3.873 -5.846 1.00 0.00 ATOM 257 C LEU 31 15.997 -4.805 -6.510 1.00 0.00 ATOM 258 N PRO 32 16.114 -4.737 -7.832 1.00 0.00 ATOM 259 CA PRO 32 15.775 -3.545 -8.581 1.00 0.00 ATOM 260 CB PRO 32 15.868 -4.012 -10.040 1.00 0.00 ATOM 261 CG PRO 32 16.855 -5.124 -10.021 1.00 0.00 ATOM 262 CD PRO 32 16.647 -5.820 -8.699 1.00 0.00 ATOM 263 O PRO 32 14.230 -1.733 -8.434 1.00 0.00 ATOM 264 C PRO 32 14.406 -2.957 -8.313 1.00 0.00 ATOM 265 N ARG 33 13.296 -4.197 -8.924 1.00 0.00 ATOM 266 CA ARG 33 11.856 -4.168 -8.659 1.00 0.00 ATOM 267 CB ARG 33 11.249 -5.576 -8.658 1.00 0.00 ATOM 268 CG ARG 33 11.158 -6.168 -10.035 1.00 0.00 ATOM 269 CD ARG 33 10.690 -7.610 -10.074 1.00 0.00 ATOM 270 NE ARG 33 10.377 -8.011 -11.436 1.00 0.00 ATOM 271 CZ ARG 33 10.583 -9.216 -11.939 1.00 0.00 ATOM 272 NH1 ARG 33 11.107 -10.198 -11.224 1.00 0.00 ATOM 273 NH2 ARG 33 10.235 -9.434 -13.183 1.00 0.00 ATOM 274 O ARG 33 10.517 -2.800 -7.214 1.00 0.00 ATOM 275 C ARG 33 11.550 -3.454 -7.346 1.00 0.00 ATOM 276 N LEU 34 12.460 -3.583 -6.383 1.00 0.00 ATOM 277 CA LEU 34 12.325 -2.930 -5.087 1.00 0.00 ATOM 278 CB LEU 34 13.310 -3.558 -4.100 1.00 0.00 ATOM 279 CG LEU 34 12.937 -4.979 -3.664 1.00 0.00 ATOM 280 CD1 LEU 34 14.037 -5.565 -2.807 1.00 0.00 ATOM 281 CD2 LEU 34 11.622 -4.945 -2.893 1.00 0.00 ATOM 282 O LEU 34 11.995 -0.610 -4.578 1.00 0.00 ATOM 283 C LEU 34 12.596 -1.440 -5.256 1.00 0.00 ATOM 284 N PHE 35 13.505 -1.115 -6.176 1.00 0.00 ATOM 285 CA PHE 35 13.841 0.278 -6.430 1.00 0.00 ATOM 286 CB PHE 35 15.027 0.387 -7.393 1.00 0.00 ATOM 287 CG PHE 35 16.365 0.186 -6.730 1.00 0.00 ATOM 288 CD1 PHE 35 17.012 1.250 -6.105 1.00 0.00 ATOM 289 CD2 PHE 35 16.969 -1.062 -6.718 1.00 0.00 ATOM 290 CE1 PHE 35 18.243 1.073 -5.476 1.00 0.00 ATOM 291 CE2 PHE 35 18.202 -1.254 -6.095 1.00 0.00 ATOM 292 CZ PHE 35 18.839 -0.179 -5.471 1.00 0.00 ATOM 293 O PHE 35 12.459 2.224 -6.659 1.00 0.00 ATOM 294 C PHE 35 12.640 1.049 -6.972 1.00 0.00 ATOM 295 N PHE 36 11.788 0.387 -7.735 1.00 0.00 ATOM 296 CA PHE 36 10.606 1.006 -8.320 1.00 0.00 ATOM 297 CB PHE 36 9.753 -0.088 -8.979 1.00 0.00 ATOM 298 CG PHE 36 8.596 0.435 -9.778 1.00 0.00 ATOM 299 CD1 PHE 36 8.793 0.961 -11.051 1.00 0.00 ATOM 300 CD2 PHE 36 7.304 0.395 -9.260 1.00 0.00 ATOM 301 CE1 PHE 36 7.716 1.441 -11.805 1.00 0.00 ATOM 302 CE2 PHE 36 6.220 0.872 -10.002 1.00 0.00 ATOM 303 CZ PHE 36 6.428 1.395 -11.281 1.00 0.00 ATOM 304 O PHE 36 9.161 2.804 -7.610 1.00 0.00 ATOM 305 C PHE 36 9.766 1.778 -7.292 1.00 0.00 ATOM 306 N GLU 37 9.735 1.284 -6.058 1.00 0.00 ATOM 307 CA GLU 37 8.959 1.919 -4.997 1.00 0.00 ATOM 308 CB GLU 37 8.947 1.027 -3.750 1.00 0.00 ATOM 309 CG GLU 37 8.427 -0.386 -3.997 1.00 0.00 ATOM 310 CD GLU 37 9.529 -1.366 -4.355 1.00 0.00 ATOM 311 OE1 GLU 37 10.472 -0.983 -5.080 1.00 0.00 ATOM 312 OE2 GLU 37 9.446 -2.535 -3.918 1.00 0.00 ATOM 313 O GLU 37 8.737 4.082 -3.978 1.00 0.00 ATOM 314 C GLU 37 9.454 3.315 -4.622 1.00 0.00 ATOM 315 N HIS 38 10.676 3.636 -5.032 1.00 0.00 ATOM 316 CA HIS 38 11.283 4.930 -4.745 1.00 0.00 ATOM 317 CB HIS 38 12.784 4.755 -4.488 1.00 0.00 ATOM 318 CG HIS 38 13.117 4.115 -3.175 1.00 0.00 ATOM 319 CD2 HIS 38 13.618 2.891 -2.880 1.00 0.00 ATOM 320 ND1 HIS 38 12.978 4.771 -1.971 1.00 0.00 ATOM 321 CE1 HIS 38 13.383 3.981 -0.992 1.00 0.00 ATOM 322 NE2 HIS 38 13.776 2.835 -1.517 1.00 0.00 ATOM 323 O HIS 38 11.391 7.120 -5.743 1.00 0.00 ATOM 324 C HIS 38 11.109 5.930 -5.893 1.00 0.00 ATOM 325 N PHE 39 10.664 5.464 -7.040 1.00 0.00 ATOM 326 CA PHE 39 10.499 6.314 -8.222 1.00 0.00 ATOM 327 CB PHE 39 10.013 5.592 -9.412 1.00 0.00 ATOM 328 CG PHE 39 10.922 4.573 -9.960 1.00 0.00 ATOM 329 CD1 PHE 39 12.156 4.924 -10.475 1.00 0.00 ATOM 330 CD2 PHE 39 10.542 3.261 -10.025 1.00 0.00 ATOM 331 CE1 PHE 39 12.981 3.993 -11.013 1.00 0.00 ATOM 332 CE2 PHE 39 11.386 2.319 -10.559 1.00 0.00 ATOM 333 CZ PHE 39 12.599 2.685 -11.064 1.00 0.00 ATOM 334 O PHE 39 8.677 7.510 -7.194 1.00 0.00 ATOM 335 C PHE 39 9.706 7.584 -7.857 1.00 0.00 ATOM 336 N GLN 40 10.181 8.767 -8.290 1.00 0.00 ATOM 337 CA GLN 40 9.555 10.077 -8.029 1.00 0.00 ATOM 338 CB GLN 40 10.350 11.144 -8.853 1.00 0.00 ATOM 339 CG GLN 40 11.763 11.408 -8.324 1.00 0.00 ATOM 340 CD GLN 40 12.549 12.394 -9.168 1.00 0.00 ATOM 341 OE1 GLN 40 11.988 13.241 -9.877 1.00 0.00 ATOM 342 NE2 GLN 40 13.871 12.303 -9.078 1.00 0.00 ATOM 343 O GLN 40 7.343 10.954 -7.657 1.00 0.00 ATOM 344 C GLN 40 8.058 10.214 -8.337 1.00 0.00 ATOM 345 N ASP 41 7.596 9.502 -9.365 1.00 0.00 ATOM 346 CA ASP 41 6.187 9.540 -9.779 1.00 0.00 ATOM 347 CB ASP 41 6.082 9.669 -11.300 1.00 0.00 ATOM 348 CG ASP 41 6.860 10.851 -11.863 1.00 0.00 ATOM 349 OD1 ASP 41 7.033 11.871 -11.155 1.00 0.00 ATOM 350 OD2 ASP 41 7.267 10.764 -13.040 1.00 0.00 ATOM 351 O ASP 41 4.192 8.190 -9.834 1.00 0.00 ATOM 352 C ASP 41 5.307 8.362 -9.333 1.00 0.00 ATOM 353 N THR 42 5.820 7.507 -8.469 1.00 0.00 ATOM 354 CA THR 42 4.986 6.440 -7.879 1.00 0.00 ATOM 355 CB THR 42 5.607 5.156 -8.482 1.00 0.00 ATOM 356 CG2 THR 42 6.275 4.140 -7.585 1.00 0.00 ATOM 357 OG1 THR 42 4.518 4.458 -9.112 1.00 0.00 ATOM 358 O THR 42 6.110 6.886 -5.809 1.00 0.00 ATOM 359 C THR 42 5.017 6.560 -6.352 1.00 0.00 ATOM 360 N SER 43 3.936 6.328 -5.676 1.00 0.00 ATOM 361 CA SER 43 3.884 6.328 -4.220 1.00 0.00 ATOM 362 CB SER 43 2.412 6.425 -3.830 1.00 0.00 ATOM 363 OG SER 43 2.343 6.309 -2.442 1.00 0.00 ATOM 364 O SER 43 4.111 3.909 -4.244 1.00 0.00 ATOM 365 C SER 43 4.474 4.992 -3.702 1.00 0.00 ATOM 366 N PHE 44 5.749 5.668 0.542 1.00 0.00 ATOM 367 CA PHE 44 6.254 4.496 1.237 1.00 0.00 ATOM 368 CB PHE 44 7.742 4.263 0.766 1.00 0.00 ATOM 369 CG PHE 44 7.868 4.048 -0.722 1.00 0.00 ATOM 370 CD1 PHE 44 7.851 5.128 -1.601 1.00 0.00 ATOM 371 CD2 PHE 44 7.987 2.760 -1.245 1.00 0.00 ATOM 372 CE1 PHE 44 7.950 4.930 -2.980 1.00 0.00 ATOM 373 CE2 PHE 44 8.085 2.548 -2.620 1.00 0.00 ATOM 374 CZ PHE 44 8.068 3.635 -3.492 1.00 0.00 ATOM 375 O PHE 44 7.059 5.592 3.222 1.00 0.00 ATOM 376 C PHE 44 6.291 4.762 2.742 1.00 0.00 ATOM 377 N ILE 45 5.436 4.067 3.479 1.00 0.00 ATOM 378 CA ILE 45 5.358 4.241 4.922 1.00 0.00 ATOM 379 CB ILE 45 4.160 4.989 5.447 1.00 0.00 ATOM 380 CG1 ILE 45 3.002 4.047 5.554 1.00 0.00 ATOM 381 CG2 ILE 45 3.769 6.070 4.457 1.00 0.00 ATOM 382 CD1 ILE 45 1.923 4.645 6.451 1.00 0.00 ATOM 383 O ILE 45 5.237 1.878 5.360 1.00 0.00 ATOM 384 C ILE 45 5.752 2.961 5.647 1.00 0.00 ATOM 385 N THR 46 6.675 3.097 6.590 1.00 0.00 ATOM 386 CA THR 46 7.163 1.957 7.348 1.00 0.00 ATOM 387 CB THR 46 8.660 1.702 7.183 1.00 0.00 ATOM 388 CG2 THR 46 9.064 1.619 5.715 1.00 0.00 ATOM 389 OG1 THR 46 9.345 2.789 7.814 1.00 0.00 ATOM 390 O THR 46 6.481 2.963 9.421 1.00 0.00 ATOM 391 C THR 46 6.723 1.929 8.801 1.00 0.00 ATOM 392 N SER 47 6.601 0.706 9.312 1.00 0.00 ATOM 393 CA SER 47 6.252 0.493 10.711 1.00 0.00 ATOM 394 CB SER 47 4.767 0.197 10.863 1.00 0.00 ATOM 395 OG SER 47 4.452 -0.025 12.229 1.00 0.00 ATOM 396 O SER 47 7.088 -1.749 10.599 1.00 0.00 ATOM 397 C SER 47 7.081 -0.685 11.221 1.00 0.00 ATOM 398 N GLU 48 7.792 -0.492 12.327 1.00 0.00 ATOM 399 CA GLU 48 8.615 -1.555 12.896 1.00 0.00 ATOM 400 CB GLU 48 10.110 -1.211 12.786 1.00 0.00 ATOM 401 CG GLU 48 10.634 -0.949 11.381 1.00 0.00 ATOM 402 CD GLU 48 10.982 -2.218 10.590 1.00 0.00 ATOM 403 OE1 GLU 48 11.027 -3.318 11.182 1.00 0.00 ATOM 404 OE2 GLU 48 11.225 -2.103 9.366 1.00 0.00 ATOM 405 O GLU 48 8.142 -0.755 15.098 1.00 0.00 ATOM 406 C GLU 48 8.311 -1.738 14.371 1.00 0.00 ATOM 407 N HIS 49 8.226 -1.391 14.041 1.00 0.00 ATOM 408 CA HIS 49 8.540 -2.712 14.579 1.00 0.00 ATOM 409 CB HIS 49 7.299 -3.609 14.700 1.00 0.00 ATOM 410 CG HIS 49 6.927 -3.894 16.136 1.00 0.00 ATOM 411 CD2 HIS 49 7.403 -4.816 17.017 1.00 0.00 ATOM 412 ND1 HIS 49 6.051 -3.112 16.868 1.00 0.00 ATOM 413 CE1 HIS 49 6.001 -3.540 18.144 1.00 0.00 ATOM 414 NE2 HIS 49 6.825 -4.577 18.256 1.00 0.00 ATOM 415 O HIS 49 10.175 -2.700 12.846 1.00 0.00 ATOM 416 C HIS 49 9.899 -3.062 13.980 1.00 0.00 ATOM 417 N ASN 50 10.737 -3.778 14.718 1.00 0.00 ATOM 418 CA ASN 50 12.063 -4.157 14.216 1.00 0.00 ATOM 419 CB ASN 50 12.829 -4.989 15.244 1.00 0.00 ATOM 420 CG ASN 50 13.596 -4.134 16.231 1.00 0.00 ATOM 421 ND2 ASN 50 14.388 -3.190 15.719 1.00 0.00 ATOM 422 OD1 ASN 50 13.483 -4.320 17.445 1.00 0.00 ATOM 423 O ASN 50 13.040 -4.693 12.104 1.00 0.00 ATOM 424 C ASN 50 12.104 -4.877 12.876 1.00 0.00 ATOM 425 N SER 51 11.148 -5.786 12.653 1.00 0.00 ATOM 426 CA SER 51 11.067 -6.513 11.393 1.00 0.00 ATOM 427 CB SER 51 10.940 -8.015 11.646 1.00 0.00 ATOM 428 OG SER 51 12.102 -8.528 12.271 1.00 0.00 ATOM 429 O SER 51 8.807 -5.815 11.216 1.00 0.00 ATOM 430 C SER 51 9.861 -6.031 10.634 1.00 0.00 ATOM 431 N MET 52 10.046 -5.833 9.334 1.00 0.00 ATOM 432 CA MET 52 8.999 -5.334 8.447 1.00 0.00 ATOM 433 CB MET 52 9.582 -4.982 7.077 1.00 0.00 ATOM 434 CG MET 52 8.580 -4.358 6.119 1.00 0.00 ATOM 435 SD MET 52 9.310 -3.944 4.523 1.00 0.00 ATOM 436 CE MET 52 10.379 -2.584 4.982 1.00 0.00 ATOM 437 O MET 52 8.229 -7.486 7.822 1.00 0.00 ATOM 438 C MET 52 7.944 -6.400 8.274 1.00 0.00 ATOM 439 N THR 53 6.723 -6.087 8.696 1.00 0.00 ATOM 440 CA THR 53 5.649 -7.062 8.607 1.00 0.00 ATOM 441 CB THR 53 4.696 -6.964 9.814 1.00 0.00 ATOM 442 CG2 THR 53 5.453 -7.200 11.112 1.00 0.00 ATOM 443 OG1 THR 53 4.102 -5.659 9.852 1.00 0.00 ATOM 444 O THR 53 4.129 -7.781 6.930 1.00 0.00 ATOM 445 C THR 53 4.807 -6.858 7.342 1.00 0.00 ATOM 446 N GLY 54 4.898 -5.689 6.719 1.00 0.00 ATOM 447 CA GLY 54 4.112 -5.335 5.542 1.00 0.00 ATOM 448 O GLY 54 5.359 -3.249 5.479 1.00 0.00 ATOM 449 C GLY 54 4.512 -4.004 4.929 1.00 0.00 ATOM 450 N PHE 55 3.868 -3.740 3.764 1.00 0.00 ATOM 451 CA PHE 55 4.125 -2.544 2.963 1.00 0.00 ATOM 452 CB PHE 55 4.284 -3.064 1.536 1.00 0.00 ATOM 453 CG PHE 55 5.491 -3.954 1.418 1.00 0.00 ATOM 454 CD1 PHE 55 5.410 -5.312 1.718 1.00 0.00 ATOM 455 CD2 PHE 55 6.714 -3.422 1.013 1.00 0.00 ATOM 456 CE1 PHE 55 6.523 -6.146 1.634 1.00 0.00 ATOM 457 CE2 PHE 55 7.837 -4.241 0.916 1.00 0.00 ATOM 458 CZ PHE 55 7.739 -5.597 1.231 1.00 0.00 ATOM 459 O PHE 55 1.888 -2.468 2.201 1.00 0.00 ATOM 460 C PHE 55 2.878 -1.811 2.495 1.00 0.00 ATOM 461 N LEU 56 2.962 -0.477 2.448 1.00 0.00 ATOM 462 CA LEU 56 1.894 0.343 1.911 1.00 0.00 ATOM 463 CB LEU 56 1.668 1.565 2.805 1.00 0.00 ATOM 464 CG LEU 56 0.429 2.353 2.377 1.00 0.00 ATOM 465 CD1 LEU 56 -0.147 3.176 3.516 1.00 0.00 ATOM 466 CD2 LEU 56 0.824 3.307 1.267 1.00 0.00 ATOM 467 O LEU 56 3.580 1.514 0.698 1.00 0.00 ATOM 468 C LEU 56 2.556 0.860 0.614 1.00 0.00 ATOM 469 N ILE 57 2.033 0.575 -0.571 1.00 0.00 ATOM 470 CA ILE 57 2.634 0.907 -1.856 1.00 0.00 ATOM 471 CB ILE 57 2.994 -0.424 -2.536 1.00 0.00 ATOM 472 CG1 ILE 57 4.106 -1.110 -1.764 1.00 0.00 ATOM 473 CG2 ILE 57 3.487 -0.179 -3.956 1.00 0.00 ATOM 474 CD1 ILE 57 4.356 -2.489 -2.354 1.00 0.00 ATOM 475 O ILE 57 0.407 1.091 -2.669 1.00 0.00 ATOM 476 C ILE 57 1.557 1.534 -2.706 1.00 0.00 ATOM 477 N GLY 58 1.901 2.546 -3.474 1.00 0.00 ATOM 478 CA GLY 58 0.877 3.175 -4.281 1.00 0.00 ATOM 479 O GLY 58 2.607 3.979 -5.724 1.00 0.00 ATOM 480 C GLY 58 1.547 3.385 -5.619 1.00 0.00 ATOM 481 N PHE 59 0.949 2.807 -6.610 1.00 0.00 ATOM 482 CA PHE 59 1.427 2.839 -8.021 1.00 0.00 ATOM 483 CB PHE 59 1.383 1.427 -8.560 1.00 0.00 ATOM 484 CG PHE 59 1.727 1.259 -10.033 1.00 0.00 ATOM 485 CD1 PHE 59 0.704 1.376 -10.994 1.00 0.00 ATOM 486 CD2 PHE 59 2.980 0.872 -10.418 1.00 0.00 ATOM 487 CE1 PHE 59 1.005 1.222 -12.330 1.00 0.00 ATOM 488 CE2 PHE 59 3.265 0.721 -11.759 1.00 0.00 ATOM 489 CZ PHE 59 2.292 0.868 -12.733 1.00 0.00 ATOM 490 O PHE 59 -0.807 3.398 -8.544 1.00 0.00 ATOM 491 C PHE 59 0.347 3.706 -8.748 1.00 0.00 ATOM 492 N GLN 60 0.850 4.706 -9.436 1.00 0.00 ATOM 493 CA GLN 60 0.001 5.633 -10.166 1.00 0.00 ATOM 494 CB GLN 60 0.122 7.043 -9.584 1.00 0.00 ATOM 495 CG GLN 60 -0.738 8.082 -10.284 1.00 0.00 ATOM 496 CD GLN 60 -0.641 9.450 -9.640 1.00 0.00 ATOM 497 OE1 GLN 60 0.088 9.639 -8.667 1.00 0.00 ATOM 498 NE2 GLN 60 -1.378 10.412 -10.184 1.00 0.00 ATOM 499 O GLN 60 1.557 5.979 -11.950 1.00 0.00 ATOM 500 C GLN 60 0.404 5.681 -11.630 1.00 0.00 ATOM 501 N SER 61 -0.550 5.377 -12.509 1.00 0.00 ATOM 502 CA SER 61 -0.322 5.381 -13.955 1.00 0.00 ATOM 503 CB SER 61 -1.177 4.311 -14.636 1.00 0.00 ATOM 504 OG SER 61 -0.795 3.010 -14.218 1.00 0.00 ATOM 505 O SER 61 -1.666 7.353 -14.177 1.00 0.00 ATOM 506 C SER 61 -0.678 6.730 -14.566 1.00 0.00 ATOM 507 N GLN 62 0.129 7.164 -15.528 1.00 0.00 ATOM 508 CA GLN 62 -0.089 8.441 -16.206 1.00 0.00 ATOM 509 CB GLN 62 1.146 8.834 -17.021 1.00 0.00 ATOM 510 CG GLN 62 2.373 9.139 -16.178 1.00 0.00 ATOM 511 CD GLN 62 3.593 9.458 -17.022 1.00 0.00 ATOM 512 OE1 GLN 62 3.533 9.429 -18.250 1.00 0.00 ATOM 513 NE2 GLN 62 4.702 9.764 -16.361 1.00 0.00 ATOM 514 O GLN 62 -1.797 9.413 -17.589 1.00 0.00 ATOM 515 C GLN 62 -1.281 8.381 -17.164 1.00 0.00 ATOM 516 N SER 63 -1.734 7.178 -17.520 1.00 0.00 ATOM 517 CA SER 63 -2.849 6.988 -18.438 1.00 0.00 ATOM 518 CB SER 63 -3.114 5.478 -18.562 1.00 0.00 ATOM 519 OG SER 63 -4.257 5.228 -19.370 1.00 0.00 ATOM 520 O SER 63 -4.695 8.559 -18.904 1.00 0.00 ATOM 521 C SER 63 -4.179 7.723 -18.129 1.00 0.00 ATOM 522 N ASP 64 -4.670 7.477 -16.929 1.00 0.00 ATOM 523 CA ASP 64 -5.954 8.031 -16.515 1.00 0.00 ATOM 524 CB ASP 64 -6.735 6.898 -15.884 1.00 0.00 ATOM 525 CG ASP 64 -7.002 5.708 -16.897 1.00 0.00 ATOM 526 OD1 ASP 64 -7.444 5.999 -18.002 1.00 0.00 ATOM 527 OD2 ASP 64 -6.789 4.541 -16.541 1.00 0.00 ATOM 528 O ASP 64 -4.874 9.227 -14.720 1.00 0.00 ATOM 529 C ASP 64 -5.816 9.203 -15.522 1.00 0.00 ATOM 530 N PRO 65 -6.693 10.188 -15.592 1.00 0.00 ATOM 531 CA PRO 65 -6.610 11.334 -14.660 1.00 0.00 ATOM 532 CB PRO 65 -7.808 12.202 -15.006 1.00 0.00 ATOM 533 CG PRO 65 -8.164 11.728 -16.456 1.00 0.00 ATOM 534 CD PRO 65 -7.807 10.322 -16.555 1.00 0.00 ATOM 535 O PRO 65 -7.475 9.844 -12.975 1.00 0.00 ATOM 536 C PRO 65 -6.759 10.827 -13.238 1.00 0.00 ATOM 537 N GLU 66 -4.159 11.205 -13.786 1.00 0.00 ATOM 538 CA GLU 66 -3.380 10.270 -13.010 1.00 0.00 ATOM 539 CB GLU 66 -2.270 10.980 -12.249 1.00 0.00 ATOM 540 CG GLU 66 -0.906 10.407 -12.551 1.00 0.00 ATOM 541 CD GLU 66 -0.346 10.924 -13.852 1.00 0.00 ATOM 542 OE1 GLU 66 0.209 12.041 -13.839 1.00 0.00 ATOM 543 OE2 GLU 66 -0.472 10.229 -14.887 1.00 0.00 ATOM 544 O GLU 66 -5.223 10.055 -11.449 1.00 0.00 ATOM 545 C GLU 66 -4.318 9.489 -12.083 1.00 0.00 ATOM 546 N THR 67 -4.113 8.186 -12.010 1.00 0.00 ATOM 547 CA THR 67 -4.899 7.388 -11.102 1.00 0.00 ATOM 548 CB THR 67 -5.697 6.314 -11.854 1.00 0.00 ATOM 549 CG2 THR 67 -6.493 5.453 -10.885 1.00 0.00 ATOM 550 OG1 THR 67 -6.600 6.972 -12.752 1.00 0.00 ATOM 551 O THR 67 -2.905 6.096 -10.587 1.00 0.00 ATOM 552 C THR 67 -3.923 6.662 -10.141 1.00 0.00 ATOM 553 N ALA 68 -4.214 6.733 -8.851 1.00 0.00 ATOM 554 CA ALA 68 -3.359 6.029 -7.888 1.00 0.00 ATOM 555 CB ALA 68 -3.301 6.816 -6.576 1.00 0.00 ATOM 556 O ALA 68 -5.225 4.570 -7.489 1.00 0.00 ATOM 557 C ALA 68 -3.988 4.669 -7.575 1.00 0.00 ATOM 558 N TYR 69 -3.144 3.647 -7.372 1.00 0.00 ATOM 559 CA TYR 69 -3.604 2.290 -7.057 1.00 0.00 ATOM 560 CB TYR 69 -2.749 1.451 -8.146 1.00 0.00 ATOM 561 CG TYR 69 -3.246 1.718 -9.524 1.00 0.00 ATOM 562 CD1 TYR 69 -4.384 1.091 -10.023 1.00 0.00 ATOM 563 CD2 TYR 69 -2.600 2.642 -10.322 1.00 0.00 ATOM 564 CE1 TYR 69 -4.853 1.400 -11.304 1.00 0.00 ATOM 565 CE2 TYR 69 -3.054 2.951 -11.574 1.00 0.00 ATOM 566 CZ TYR 69 -4.179 2.331 -12.056 1.00 0.00 ATOM 567 OH TYR 69 -4.607 2.726 -13.286 1.00 0.00 ATOM 568 O TYR 69 -1.707 1.672 -5.754 1.00 0.00 ATOM 569 C TYR 69 -2.914 1.903 -5.744 1.00 0.00 ATOM 570 N ILE 70 -3.666 1.855 -4.643 1.00 0.00 ATOM 571 CA ILE 70 -3.056 1.494 -3.367 1.00 0.00 ATOM 572 CB ILE 70 -3.890 2.067 -2.194 1.00 0.00 ATOM 573 CG1 ILE 70 -3.501 3.537 -2.005 1.00 0.00 ATOM 574 CG2 ILE 70 -3.633 1.276 -0.927 1.00 0.00 ATOM 575 CD1 ILE 70 -4.309 4.285 -1.010 1.00 0.00 ATOM 576 O ILE 70 -3.866 -0.731 -3.465 1.00 0.00 ATOM 577 C ILE 70 -2.907 -0.022 -3.281 1.00 0.00 ATOM 578 N HIS 71 -1.694 -0.506 -3.030 1.00 0.00 ATOM 579 CA HIS 71 -1.398 -1.936 -2.977 1.00 0.00 ATOM 580 CB HIS 71 -0.363 -2.188 -4.151 1.00 0.00 ATOM 581 CG HIS 71 -0.930 -1.904 -5.506 1.00 0.00 ATOM 582 CD2 HIS 71 -0.698 -0.895 -6.379 1.00 0.00 ATOM 583 ND1 HIS 71 -1.885 -2.706 -6.094 1.00 0.00 ATOM 584 CE1 HIS 71 -2.216 -2.202 -7.271 1.00 0.00 ATOM 585 NE2 HIS 71 -1.511 -1.103 -7.465 1.00 0.00 ATOM 586 O HIS 71 -0.002 -1.469 -1.084 1.00 0.00 ATOM 587 C HIS 71 -0.624 -2.327 -1.723 1.00 0.00 ATOM 588 N PHE 72 -0.639 -3.631 -1.412 1.00 0.00 ATOM 589 CA PHE 72 0.128 -4.215 -0.307 1.00 0.00 ATOM 590 CB PHE 72 1.681 -4.174 -0.939 1.00 0.00 ATOM 591 CG PHE 72 1.828 -4.951 -2.228 1.00 0.00 ATOM 592 CD1 PHE 72 1.785 -6.363 -2.185 1.00 0.00 ATOM 593 CD2 PHE 72 1.998 -4.319 -3.458 1.00 0.00 ATOM 594 CE1 PHE 72 1.905 -7.123 -3.373 1.00 0.00 ATOM 595 CE2 PHE 72 2.114 -5.039 -4.627 1.00 0.00 ATOM 596 CZ PHE 72 2.031 -6.444 -4.591 1.00 0.00 ATOM 597 O PHE 72 1.242 -3.172 1.566 1.00 0.00 ATOM 598 C PHE 72 0.173 -3.525 1.046 1.00 0.00 ATOM 599 N SER 73 -1.000 -3.348 1.629 1.00 0.00 ATOM 600 CA SER 73 -1.087 -2.698 2.906 1.00 0.00 ATOM 601 CB SER 73 -2.273 -1.797 3.138 1.00 0.00 ATOM 602 OG SER 73 -2.433 -0.810 2.121 1.00 0.00 ATOM 603 O SER 73 -1.504 -4.630 4.094 1.00 0.00 ATOM 604 C SER 73 -0.835 -3.650 4.013 1.00 0.00 ATOM 605 N GLY 74 0.114 -3.367 4.888 1.00 0.00 ATOM 606 CA GLY 74 0.347 -4.298 5.984 1.00 0.00 ATOM 607 O GLY 74 1.811 -2.775 7.171 1.00 0.00 ATOM 608 C GLY 74 0.832 -3.551 7.215 1.00 0.00 ATOM 609 N VAL 75 0.114 -3.763 8.305 1.00 0.00 ATOM 610 CA VAL 75 0.482 -3.192 9.569 1.00 0.00 ATOM 611 CB VAL 75 -0.749 -2.721 10.297 1.00 0.00 ATOM 612 CG1 VAL 75 -0.353 -2.261 11.673 1.00 0.00 ATOM 613 CG2 VAL 75 -1.437 -1.567 9.484 1.00 0.00 ATOM 614 O VAL 75 0.724 -5.457 10.372 1.00 0.00 ATOM 615 C VAL 75 1.199 -4.326 10.315 1.00 0.00 ATOM 616 N HIS 76 2.375 -4.034 10.854 1.00 0.00 ATOM 617 CA HIS 76 3.145 -5.066 11.537 1.00 0.00 ATOM 618 CB HIS 76 4.379 -4.448 12.183 1.00 0.00 ATOM 619 CG HIS 76 5.378 -5.422 12.737 1.00 0.00 ATOM 620 CD2 HIS 76 6.601 -5.765 12.222 1.00 0.00 ATOM 621 ND1 HIS 76 5.171 -6.154 13.880 1.00 0.00 ATOM 622 CE1 HIS 76 6.243 -6.927 14.061 1.00 0.00 ATOM 623 NE2 HIS 76 7.105 -6.694 13.095 1.00 0.00 ATOM 624 O HIS 76 1.558 -5.169 13.327 1.00 0.00 ATOM 625 C HIS 76 2.278 -5.795 12.558 1.00 0.00 ATOM 626 N PRO 77 2.346 -7.125 12.558 1.00 0.00 ATOM 627 CA PRO 77 1.551 -7.901 13.502 1.00 0.00 ATOM 628 CB PRO 77 1.903 -9.341 13.147 1.00 0.00 ATOM 629 CG PRO 77 3.253 -9.242 12.515 1.00 0.00 ATOM 630 CD PRO 77 3.203 -7.968 11.702 1.00 0.00 ATOM 631 O PRO 77 0.906 -7.585 15.756 1.00 0.00 ATOM 632 C PRO 77 1.833 -7.545 14.937 1.00 0.00 ATOM 633 N ASP 78 3.090 -6.995 15.162 1.00 0.00 ATOM 634 CA ASP 78 3.537 -6.696 16.519 1.00 0.00 ATOM 635 CB ASP 78 5.116 -6.830 16.478 1.00 0.00 ATOM 636 CG ASP 78 5.494 -8.312 16.295 1.00 0.00 ATOM 637 OD1 ASP 78 4.884 -9.153 16.941 1.00 0.00 ATOM 638 OD2 ASP 78 6.381 -8.558 15.447 1.00 0.00 ATOM 639 O ASP 78 3.688 -4.704 17.854 1.00 0.00 ATOM 640 C ASP 78 3.198 -5.254 16.865 1.00 0.00 ATOM 641 N PHE 79 2.344 -4.653 16.043 1.00 0.00 ATOM 642 CA PHE 79 1.907 -3.274 16.240 1.00 0.00 ATOM 643 CB PHE 79 3.091 -2.340 16.312 1.00 0.00 ATOM 644 CG PHE 79 2.774 -0.880 16.588 1.00 0.00 ATOM 645 CD1 PHE 79 2.016 -0.509 17.696 1.00 0.00 ATOM 646 CD2 PHE 79 3.274 0.098 15.740 1.00 0.00 ATOM 647 CE1 PHE 79 1.773 0.851 17.914 1.00 0.00 ATOM 648 CE2 PHE 79 3.017 1.427 15.965 1.00 0.00 ATOM 649 CZ PHE 79 2.260 1.814 17.054 1.00 0.00 ATOM 650 O PHE 79 -0.132 -2.500 15.246 1.00 0.00 ATOM 651 C PHE 79 0.401 -3.234 16.077 1.00 0.00 ATOM 652 N ARG 80 -0.281 -4.030 16.886 1.00 0.00 ATOM 653 CA ARG 80 -1.726 -4.126 16.818 1.00 0.00 ATOM 654 CB ARG 80 -2.369 -5.435 16.580 1.00 0.00 ATOM 655 CG ARG 80 -1.615 -6.431 15.730 1.00 0.00 ATOM 656 CD ARG 80 -2.291 -7.788 15.703 1.00 0.00 ATOM 657 NE ARG 80 -1.760 -8.612 14.618 1.00 0.00 ATOM 658 CZ ARG 80 -1.922 -9.928 14.511 1.00 0.00 ATOM 659 NH1 ARG 80 -2.604 -10.604 15.427 1.00 0.00 ATOM 660 NH2 ARG 80 -1.412 -10.574 13.471 1.00 0.00 ATOM 661 O ARG 80 -3.573 -3.278 18.094 1.00 0.00 ATOM 662 C ARG 80 -2.476 -3.044 17.586 1.00 0.00 ATOM 663 N LYS 81 -1.891 -1.851 17.661 1.00 0.00 ATOM 664 CA LYS 81 -2.548 -0.745 18.345 1.00 0.00 ATOM 665 CB LYS 81 -1.673 0.277 18.929 1.00 0.00 ATOM 666 CG LYS 81 -0.858 -0.165 20.120 1.00 0.00 ATOM 667 CD LYS 81 -1.743 -0.636 21.272 1.00 0.00 ATOM 668 CE LYS 81 -0.915 -1.190 22.427 1.00 0.00 ATOM 669 NZ LYS 81 -0.039 -2.340 22.026 1.00 0.00 ATOM 670 O LYS 81 -3.467 0.003 16.251 1.00 0.00 ATOM 671 C LYS 81 -3.675 -0.254 17.439 1.00 0.00 ATOM 672 N MET 82 -4.871 -0.144 18.003 1.00 0.00 ATOM 673 CA MET 82 -6.034 0.300 17.248 1.00 0.00 ATOM 674 CB MET 82 -6.945 0.947 18.513 1.00 0.00 ATOM 675 CG MET 82 -8.218 1.625 18.022 1.00 0.00 ATOM 676 SD MET 82 -9.359 2.110 19.346 1.00 0.00 ATOM 677 CE MET 82 -10.107 0.524 19.753 1.00 0.00 ATOM 678 O MET 82 -5.193 2.552 16.988 1.00 0.00 ATOM 679 C MET 82 -5.800 1.603 16.474 1.00 0.00 ATOM 680 N GLN 83 -6.270 1.629 15.228 1.00 0.00 ATOM 681 CA GLN 83 -6.142 2.828 14.422 1.00 0.00 ATOM 682 CB GLN 83 -6.437 4.151 14.943 1.00 0.00 ATOM 683 CG GLN 83 -7.577 4.324 15.961 1.00 0.00 ATOM 684 CD GLN 83 -7.423 5.566 16.841 1.00 0.00 ATOM 685 OE1 GLN 83 -6.309 6.020 17.111 1.00 0.00 ATOM 686 NE2 GLN 83 -8.549 6.106 17.307 1.00 0.00 ATOM 687 O GLN 83 -5.328 3.618 12.350 1.00 0.00 ATOM 688 C GLN 83 -5.105 2.910 13.322 1.00 0.00 ATOM 689 N ILE 84 -3.988 2.200 13.450 1.00 0.00 ATOM 690 CA ILE 84 -2.926 2.269 12.448 1.00 0.00 ATOM 691 CB ILE 84 -1.748 1.303 12.825 1.00 0.00 ATOM 692 CG1 ILE 84 -1.176 1.645 14.207 1.00 0.00 ATOM 693 CG2 ILE 84 -0.633 1.357 11.781 1.00 0.00 ATOM 694 CD1 ILE 84 -0.600 3.047 14.310 1.00 0.00 ATOM 695 O ILE 84 -3.026 2.783 10.101 1.00 0.00 ATOM 696 C ILE 84 -3.366 2.009 11.003 1.00 0.00 ATOM 697 N GLY 85 -4.107 0.923 10.787 1.00 0.00 ATOM 698 CA GLY 85 -4.562 0.588 9.446 1.00 0.00 ATOM 699 O GLY 85 -5.206 2.133 7.733 1.00 0.00 ATOM 700 C GLY 85 -5.407 1.696 8.862 1.00 0.00 ATOM 701 N LYS 86 -6.346 2.191 9.649 1.00 0.00 ATOM 702 CA LYS 86 -7.208 3.269 9.195 1.00 0.00 ATOM 703 CB LYS 86 -8.313 3.535 10.223 1.00 0.00 ATOM 704 CG LYS 86 -9.205 4.716 9.875 1.00 0.00 ATOM 705 CD LYS 86 -10.355 4.862 10.859 1.00 0.00 ATOM 706 CE LYS 86 -10.913 6.274 10.827 1.00 0.00 ATOM 707 NZ LYS 86 -12.382 6.305 11.057 1.00 0.00 ATOM 708 O LYS 86 -6.452 5.150 7.914 1.00 0.00 ATOM 709 C LYS 86 -6.386 4.540 8.978 1.00 0.00 ATOM 710 N GLN 87 -5.606 4.925 9.987 1.00 0.00 ATOM 711 CA GLN 87 -4.783 6.135 9.915 1.00 0.00 ATOM 712 CB GLN 87 -4.029 6.358 11.229 1.00 0.00 ATOM 713 CG GLN 87 -4.699 5.763 12.451 1.00 0.00 ATOM 714 CD GLN 87 -3.839 5.858 13.698 1.00 0.00 ATOM 715 OE1 GLN 87 -4.105 5.194 14.703 1.00 0.00 ATOM 716 NE2 GLN 87 -2.800 6.688 13.641 1.00 0.00 ATOM 717 O GLN 87 -3.595 7.130 8.092 1.00 0.00 ATOM 718 C GLN 87 -3.773 6.124 8.775 1.00 0.00 ATOM 719 N LEU 88 -3.106 4.987 8.582 1.00 0.00 ATOM 720 CA LEU 88 -2.096 4.877 7.517 1.00 0.00 ATOM 721 CB LEU 88 -1.370 3.533 7.573 1.00 0.00 ATOM 722 CG LEU 88 -0.359 3.306 6.440 1.00 0.00 ATOM 723 CD1 LEU 88 0.821 4.329 6.469 1.00 0.00 ATOM 724 CD2 LEU 88 0.136 1.905 6.530 1.00 0.00 ATOM 725 O LEU 88 -2.190 5.903 5.317 1.00 0.00 ATOM 726 C LEU 88 -2.707 5.105 6.125 1.00 0.00 ATOM 727 N TYR 89 -3.813 4.428 5.864 1.00 0.00 ATOM 728 CA TYR 89 -4.502 4.569 4.597 1.00 0.00 ATOM 729 CB TYR 89 -5.661 3.705 4.361 1.00 0.00 ATOM 730 CG TYR 89 -5.291 2.297 3.918 1.00 0.00 ATOM 731 CD1 TYR 89 -4.648 1.422 4.789 1.00 0.00 ATOM 732 CD2 TYR 89 -5.553 1.858 2.612 1.00 0.00 ATOM 733 CE1 TYR 89 -4.263 0.122 4.364 1.00 0.00 ATOM 734 CE2 TYR 89 -5.167 0.574 2.174 1.00 0.00 ATOM 735 CZ TYR 89 -4.527 -0.276 3.054 1.00 0.00 ATOM 736 OH TYR 89 -4.140 -1.514 2.629 1.00 0.00 ATOM 737 O TYR 89 -4.644 6.650 3.412 1.00 0.00 ATOM 738 C TYR 89 -4.912 6.031 4.443 1.00 0.00 ATOM 739 N ASP 90 -5.532 6.603 5.461 1.00 0.00 ATOM 740 CA ASP 90 -5.956 7.995 5.363 1.00 0.00 ATOM 741 CB ASP 90 -6.574 8.474 6.663 1.00 0.00 ATOM 742 CG ASP 90 -8.015 7.964 6.843 1.00 0.00 ATOM 743 OD1 ASP 90 -8.504 7.256 5.934 1.00 0.00 ATOM 744 OD2 ASP 90 -8.649 8.268 7.888 1.00 0.00 ATOM 745 O ASP 90 -5.026 9.786 4.150 1.00 0.00 ATOM 746 C ASP 90 -4.842 8.893 4.969 1.00 0.00 ATOM 747 N VAL 91 -3.694 8.680 5.541 1.00 0.00 ATOM 748 CA VAL 91 -2.477 9.479 5.193 1.00 0.00 ATOM 749 CB VAL 91 -1.419 9.294 6.298 1.00 0.00 ATOM 750 CG1 VAL 91 -0.073 9.994 6.046 1.00 0.00 ATOM 751 CG2 VAL 91 -1.931 9.648 7.669 1.00 0.00 ATOM 752 O VAL 91 -1.700 10.033 2.989 1.00 0.00 ATOM 753 C VAL 91 -2.055 9.135 3.782 1.00 0.00 ATOM 754 N PHE 92 -2.146 7.850 3.421 1.00 0.00 ATOM 755 CA PHE 92 -1.745 7.509 2.029 1.00 0.00 ATOM 756 CB PHE 92 -1.588 5.998 1.815 1.00 0.00 ATOM 757 CG PHE 92 -0.162 5.641 2.179 1.00 0.00 ATOM 758 CD1 PHE 92 0.145 5.484 3.530 1.00 0.00 ATOM 759 CD2 PHE 92 0.774 5.473 1.178 1.00 0.00 ATOM 760 CE1 PHE 92 1.461 5.119 3.872 1.00 0.00 ATOM 761 CE2 PHE 92 2.069 5.174 1.515 1.00 0.00 ATOM 762 CZ PHE 92 2.399 4.994 2.844 1.00 0.00 ATOM 763 O PHE 92 -2.207 8.543 -0.070 1.00 0.00 ATOM 764 C PHE 92 -2.679 8.082 0.984 1.00 0.00 ATOM 765 N ILE 93 -3.969 7.972 1.258 1.00 0.00 ATOM 766 CA ILE 93 -5.010 8.481 0.368 1.00 0.00 ATOM 767 CB ILE 93 -6.417 8.120 0.928 1.00 0.00 ATOM 768 CG1 ILE 93 -6.609 6.602 0.871 1.00 0.00 ATOM 769 CG2 ILE 93 -7.520 8.820 0.131 1.00 0.00 ATOM 770 CD1 ILE 93 -7.940 6.118 1.435 1.00 0.00 ATOM 771 O ILE 93 -4.968 10.476 -0.969 1.00 0.00 ATOM 772 C ILE 93 -4.894 9.989 0.159 1.00 0.00 ATOM 773 N GLU 94 -4.696 10.725 1.245 1.00 0.00 ATOM 774 CA GLU 94 -4.574 12.174 1.175 1.00 0.00 ATOM 775 CB GLU 94 -4.523 12.759 2.589 1.00 0.00 ATOM 776 CG GLU 94 -5.201 14.113 2.736 1.00 0.00 ATOM 777 CD GLU 94 -6.687 14.058 2.427 1.00 0.00 ATOM 778 OE1 GLU 94 -7.095 14.605 1.380 1.00 0.00 ATOM 779 OE2 GLU 94 -7.447 13.469 3.229 1.00 0.00 ATOM 780 O GLU 94 -3.364 13.556 -0.381 1.00 0.00 ATOM 781 C GLU 94 -3.327 12.601 0.397 1.00 0.00 ATOM 782 N THR 95 -2.222 11.889 0.603 1.00 0.00 ATOM 783 CA THR 95 -0.977 12.225 -0.071 1.00 0.00 ATOM 784 CB THR 95 0.209 11.439 0.537 1.00 0.00 ATOM 785 CG2 THR 95 1.524 11.829 -0.141 1.00 0.00 ATOM 786 OG1 THR 95 0.310 11.739 1.934 1.00 0.00 ATOM 787 O THR 95 -0.608 12.761 -2.386 1.00 0.00 ATOM 788 C THR 95 -1.062 11.954 -1.570 1.00 0.00 ATOM 789 N VAL 96 -1.639 10.832 -1.934 1.00 0.00 ATOM 790 CA VAL 96 -1.780 10.483 -3.365 1.00 0.00 ATOM 791 CB VAL 96 -2.372 9.046 -3.534 1.00 0.00 ATOM 792 CG1 VAL 96 -2.880 8.827 -4.979 1.00 0.00 ATOM 793 CG2 VAL 96 -1.287 8.005 -3.229 1.00 0.00 ATOM 794 O VAL 96 -2.480 11.990 -5.139 1.00 0.00 ATOM 795 C VAL 96 -2.716 11.502 -4.025 1.00 0.00 ATOM 796 N LYS 97 -3.804 11.812 -3.335 1.00 0.00 ATOM 797 CA LYS 97 -4.773 12.795 -3.809 1.00 0.00 ATOM 798 CB LYS 97 -5.901 12.926 -2.780 1.00 0.00 ATOM 799 CG LYS 97 -7.233 12.463 -3.229 1.00 0.00 ATOM 800 CD LYS 97 -7.679 13.242 -4.460 1.00 0.00 ATOM 801 CE LYS 97 -9.083 12.812 -4.887 1.00 0.00 ATOM 802 NZ LYS 97 -9.612 13.596 -6.054 1.00 0.00 ATOM 803 O LYS 97 -4.371 14.853 -5.012 1.00 0.00 ATOM 804 C LYS 97 -4.108 14.163 -4.018 1.00 0.00 ATOM 805 N GLN 98 -3.268 14.543 -3.043 1.00 0.00 ATOM 806 CA GLN 98 -2.542 15.808 -3.089 1.00 0.00 ATOM 807 CB GLN 98 -1.845 16.066 -1.745 1.00 0.00 ATOM 808 CG GLN 98 -1.420 17.521 -1.520 1.00 0.00 ATOM 809 CD GLN 98 -2.594 18.467 -1.321 1.00 0.00 ATOM 810 OE1 GLN 98 -3.754 18.083 -1.473 1.00 0.00 ATOM 811 NE2 GLN 98 -2.296 19.715 -0.976 1.00 0.00 ATOM 812 O GLN 98 -1.394 16.869 -4.905 1.00 0.00 ATOM 813 C GLN 98 -1.528 15.847 -4.234 1.00 0.00 ATOM 814 N ARG 99 -0.810 14.750 -4.466 1.00 0.00 ATOM 815 CA ARG 99 0.153 14.750 -5.560 1.00 0.00 ATOM 816 CB ARG 99 1.032 13.490 -5.546 1.00 0.00 ATOM 817 CG ARG 99 2.198 13.591 -6.530 1.00 0.00 ATOM 818 CD ARG 99 3.137 12.390 -6.486 1.00 0.00 ATOM 819 NE ARG 99 2.517 11.175 -7.003 1.00 0.00 ATOM 820 CZ ARG 99 3.127 9.996 -7.073 1.00 0.00 ATOM 821 NH1 ARG 99 4.383 9.867 -6.657 1.00 0.00 ATOM 822 NH2 ARG 99 2.483 8.939 -7.552 1.00 0.00 ATOM 823 O ARG 99 -0.152 15.454 -7.836 1.00 0.00 ATOM 824 C ARG 99 -0.610 14.833 -6.878 1.00 0.00 ATOM 825 N GLY 100 -4.138 14.123 -7.531 1.00 0.00 ATOM 826 CA GLY 100 -5.117 14.332 -8.577 1.00 0.00 ATOM 827 O GLY 100 -6.401 13.078 -10.176 1.00 0.00 ATOM 828 C GLY 100 -5.734 13.054 -9.134 1.00 0.00 ATOM 829 N CYS 101 -5.545 11.923 -8.452 1.00 0.00 ATOM 830 CA CYS 101 -6.151 10.697 -8.924 1.00 0.00 ATOM 831 CB CYS 101 -5.806 9.530 -7.969 1.00 0.00 ATOM 832 SG CYS 101 -4.065 8.986 -8.092 1.00 0.00 ATOM 833 O CYS 101 -8.309 11.273 -8.042 1.00 0.00 ATOM 834 C CYS 101 -7.678 10.798 -8.990 1.00 0.00 ATOM 835 N THR 102 -8.283 10.336 -10.079 1.00 0.00 ATOM 836 CA THR 102 -9.762 10.370 -10.207 1.00 0.00 ATOM 837 CB THR 102 -10.215 10.491 -11.677 1.00 0.00 ATOM 838 CG2 THR 102 -9.181 11.261 -12.469 1.00 0.00 ATOM 839 OG1 THR 102 -10.501 9.241 -12.301 1.00 0.00 ATOM 840 O THR 102 -11.534 9.016 -9.210 1.00 0.00 ATOM 841 C THR 102 -10.333 9.117 -9.495 1.00 0.00 ATOM 842 N ARG 103 -9.476 8.147 -9.265 1.00 0.00 ATOM 843 CA ARG 103 -9.915 6.966 -8.502 1.00 0.00 ATOM 844 CB ARG 103 -9.998 5.841 -9.515 1.00 0.00 ATOM 845 CG ARG 103 -10.472 4.549 -8.826 1.00 0.00 ATOM 846 CD ARG 103 -10.521 3.398 -9.817 1.00 0.00 ATOM 847 NE ARG 103 -11.523 3.582 -10.847 1.00 0.00 ATOM 848 CZ ARG 103 -12.815 3.297 -10.683 1.00 0.00 ATOM 849 NH1 ARG 103 -13.270 2.821 -9.535 1.00 0.00 ATOM 850 NH2 ARG 103 -13.651 3.494 -11.676 1.00 0.00 ATOM 851 O ARG 103 -7.600 6.413 -8.292 1.00 0.00 ATOM 852 C ARG 103 -8.736 6.266 -7.869 1.00 0.00 ATOM 853 N VAL 104 -8.994 5.508 -6.824 1.00 0.00 ATOM 854 CA VAL 104 -7.922 4.713 -6.182 1.00 0.00 ATOM 855 CB VAL 104 -7.237 5.492 -4.998 1.00 0.00 ATOM 856 CG1 VAL 104 -6.610 6.765 -5.514 1.00 0.00 ATOM 857 CG2 VAL 104 -8.281 5.821 -3.926 1.00 0.00 ATOM 858 O VAL 104 -9.531 3.086 -5.400 1.00 0.00 ATOM 859 C VAL 104 -8.487 3.289 -6.040 1.00 0.00 ATOM 860 N LYS 105 -7.898 2.341 -6.740 1.00 0.00 ATOM 861 CA LYS 105 -8.306 0.955 -6.613 1.00 0.00 ATOM 862 CB LYS 105 -8.123 0.260 -7.946 1.00 0.00 ATOM 863 CG LYS 105 -8.228 -1.261 -7.799 1.00 0.00 ATOM 864 CD LYS 105 -8.598 -1.912 -9.137 1.00 0.00 ATOM 865 CE LYS 105 -8.082 -3.348 -9.385 1.00 0.00 ATOM 866 NZ LYS 105 -6.627 -3.334 -9.591 1.00 0.00 ATOM 867 O LYS 105 -6.076 0.619 -5.754 1.00 0.00 ATOM 868 C LYS 105 -7.293 0.309 -5.677 1.00 0.00 ATOM 869 N CYS 106 -7.744 -0.596 -4.807 1.00 0.00 ATOM 870 CA CYS 106 -6.851 -1.223 -3.835 1.00 0.00 ATOM 871 CB CYS 106 -7.142 -0.754 -2.408 1.00 0.00 ATOM 872 SG CYS 106 -7.236 1.041 -2.157 1.00 0.00 ATOM 873 O CYS 106 -8.190 -3.175 -4.167 1.00 0.00 ATOM 874 C CYS 106 -7.081 -2.718 -3.889 1.00 0.00 ATOM 875 N VAL 107 -6.037 -3.484 -3.610 1.00 0.00 ATOM 876 CA VAL 107 -6.170 -4.927 -3.614 1.00 0.00 ATOM 877 CB VAL 107 -5.447 -5.544 -4.841 1.00 0.00 ATOM 878 CG1 VAL 107 -3.938 -5.421 -4.697 1.00 0.00 ATOM 879 CG2 VAL 107 -5.870 -6.978 -5.011 1.00 0.00 ATOM 880 O VAL 107 -4.639 -4.991 -1.757 1.00 0.00 ATOM 881 C VAL 107 -5.618 -5.497 -2.308 1.00 0.00 ATOM 882 N THR 108 -6.274 -6.532 -1.801 1.00 0.00 ATOM 883 CA THR 108 -5.842 -7.164 -0.567 1.00 0.00 ATOM 884 CB THR 108 -6.851 -6.819 0.598 1.00 0.00 ATOM 885 CG2 THR 108 -6.447 -7.456 1.972 1.00 0.00 ATOM 886 OG1 THR 108 -6.948 -5.382 0.744 1.00 0.00 ATOM 887 O THR 108 -6.673 -9.329 -1.149 1.00 0.00 ATOM 888 C THR 108 -5.709 -8.664 -0.778 1.00 0.00 ATOM 889 N SER 109 -4.509 -9.177 -0.566 1.00 0.00 ATOM 890 CA SER 109 -4.244 -10.615 -0.698 1.00 0.00 ATOM 891 CB SER 109 -3.135 -10.866 -1.720 1.00 0.00 ATOM 892 OG SER 109 -1.889 -10.378 -1.252 1.00 0.00 ATOM 893 O SER 109 -3.529 -10.369 1.588 1.00 0.00 ATOM 894 C SER 109 -3.811 -11.142 0.674 1.00 0.00 ATOM 895 N PRO 110 -3.760 -12.451 0.859 1.00 0.00 ATOM 896 CA PRO 110 -3.488 -13.020 2.185 1.00 0.00 ATOM 897 CB PRO 110 -4.050 -14.442 2.097 1.00 0.00 ATOM 898 CG PRO 110 -3.910 -14.810 0.658 1.00 0.00 ATOM 899 CD PRO 110 -4.298 -13.588 -0.125 1.00 0.00 ATOM 900 O PRO 110 -1.287 -14.016 2.269 1.00 0.00 ATOM 901 C PRO 110 -1.984 -13.031 2.500 1.00 0.00 ATOM 902 N VAL 111 -1.550 -11.876 2.994 1.00 0.00 ATOM 903 CA VAL 111 -0.136 -11.641 3.250 1.00 0.00 ATOM 904 CB VAL 111 0.453 -10.615 2.264 1.00 0.00 ATOM 905 CG1 VAL 111 0.353 -11.130 0.836 1.00 0.00 ATOM 906 CG2 VAL 111 -0.301 -9.295 2.352 1.00 0.00 ATOM 907 O VAL 111 -0.905 -10.619 5.289 1.00 0.00 ATOM 908 C VAL 111 0.055 -11.103 4.669 1.00 0.00 ATOM 909 N ASN 112 1.284 -11.165 5.157 1.00 0.00 ATOM 910 CA ASN 112 1.618 -10.618 6.462 1.00 0.00 ATOM 911 CB ASN 112 3.041 -11.016 6.863 1.00 0.00 ATOM 912 CG ASN 112 3.148 -12.474 7.260 1.00 0.00 ATOM 913 ND2 ASN 112 2.070 -13.221 7.056 1.00 0.00 ATOM 914 OD1 ASN 112 4.189 -12.920 7.742 1.00 0.00 ATOM 915 O ASN 112 1.056 -8.455 7.446 1.00 0.00 ATOM 916 C ASN 112 1.535 -9.081 6.460 1.00 0.00 ATOM 917 N LYS 113 2.019 -8.502 5.350 1.00 0.00 ATOM 918 CA LYS 113 2.071 -7.039 5.220 1.00 0.00 ATOM 919 CB LYS 113 3.432 -6.991 4.084 1.00 0.00 ATOM 920 CG LYS 113 4.391 -8.237 4.155 1.00 0.00 ATOM 921 CD LYS 113 5.230 -8.346 2.895 1.00 0.00 ATOM 922 CE LYS 113 5.590 -9.837 2.611 1.00 0.00 ATOM 923 NZ LYS 113 4.365 -10.655 2.197 1.00 0.00 ATOM 924 O LYS 113 0.462 -5.270 4.812 1.00 0.00 ATOM 925 C LYS 113 0.714 -6.483 4.790 1.00 0.00 ATOM 926 N VAL 114 -0.207 -7.354 4.469 1.00 0.00 ATOM 927 CA VAL 114 -1.525 -6.944 4.029 1.00 0.00 ATOM 928 CB VAL 114 -1.757 -7.242 2.529 1.00 0.00 ATOM 929 CG1 VAL 114 -3.239 -7.103 2.199 1.00 0.00 ATOM 930 CG2 VAL 114 -0.951 -6.276 1.680 1.00 0.00 ATOM 931 O VAL 114 -2.525 -8.988 4.786 1.00 0.00 ATOM 932 C VAL 114 -2.513 -7.752 4.852 1.00 0.00 ATOM 933 N SER 115 -3.314 -7.008 5.644 1.00 0.00 ATOM 934 CA SER 115 -4.301 -7.723 6.451 1.00 0.00 ATOM 935 CB SER 115 -4.200 -7.304 7.918 1.00 0.00 ATOM 936 OG SER 115 -5.216 -7.917 8.695 1.00 0.00 ATOM 937 O SER 115 -6.037 -6.246 5.714 1.00 0.00 ATOM 938 C SER 115 -5.694 -7.396 5.929 1.00 0.00 ATOM 939 N ILE 116 -6.450 -8.466 5.680 1.00 0.00 ATOM 940 CA ILE 116 -7.833 -8.320 5.230 1.00 0.00 ATOM 941 CB ILE 116 -8.360 -9.682 4.823 1.00 0.00 ATOM 942 CG1 ILE 116 -7.588 -10.283 3.642 1.00 0.00 ATOM 943 CG2 ILE 116 -9.845 -9.613 4.542 1.00 0.00 ATOM 944 CD1 ILE 116 -7.009 -11.656 3.882 1.00 0.00 ATOM 945 O ILE 116 -9.367 -6.670 6.077 1.00 0.00 ATOM 946 C ILE 116 -8.617 -7.606 6.343 1.00 0.00 ATOM 947 N ALA 117 -8.426 -8.041 7.588 1.00 0.00 ATOM 948 CA ALA 117 -9.105 -7.416 8.733 1.00 0.00 ATOM 949 CB ALA 117 -8.720 -8.122 10.024 1.00 0.00 ATOM 950 O ALA 117 -9.625 -5.107 9.100 1.00 0.00 ATOM 951 C ALA 117 -8.740 -5.932 8.889 1.00 0.00 ATOM 952 N TYR 118 -7.438 -5.612 8.808 1.00 0.00 ATOM 953 CA TYR 118 -7.044 -4.211 8.941 1.00 0.00 ATOM 954 CB TYR 118 -5.517 -4.101 8.977 1.00 0.00 ATOM 955 CG TYR 118 -4.957 -4.409 10.357 1.00 0.00 ATOM 956 CD1 TYR 118 -4.229 -5.544 10.631 1.00 0.00 ATOM 957 CD2 TYR 118 -5.190 -3.465 11.359 1.00 0.00 ATOM 958 CE1 TYR 118 -3.683 -5.742 11.910 1.00 0.00 ATOM 959 CE2 TYR 118 -4.605 -3.633 12.606 1.00 0.00 ATOM 960 CZ TYR 118 -3.880 -4.765 12.856 1.00 0.00 ATOM 961 OH TYR 118 -3.302 -4.880 14.117 1.00 0.00 ATOM 962 O TYR 118 -8.033 -2.188 8.079 1.00 0.00 ATOM 963 C TYR 118 -7.623 -3.314 7.870 1.00 0.00 ATOM 964 N HIS 119 -7.541 -3.768 6.579 1.00 0.00 ATOM 965 CA HIS 119 -8.101 -2.920 5.536 1.00 0.00 ATOM 966 CB HIS 119 -7.809 -3.485 4.126 1.00 0.00 ATOM 967 CG HIS 119 -6.370 -3.332 3.741 1.00 0.00 ATOM 968 CD2 HIS 119 -5.415 -2.458 4.177 1.00 0.00 ATOM 969 ND1 HIS 119 -5.755 -4.154 2.812 1.00 0.00 ATOM 970 CE1 HIS 119 -4.484 -3.771 2.678 1.00 0.00 ATOM 971 NE2 HIS 119 -4.270 -2.718 3.466 1.00 0.00 ATOM 972 O HIS 119 -10.016 -1.518 5.622 1.00 0.00 ATOM 973 C HIS 119 -9.577 -2.660 5.726 1.00 0.00 ATOM 974 N THR 120 -10.351 -3.705 6.029 1.00 0.00 ATOM 975 CA THR 120 -11.806 -3.514 6.231 1.00 0.00 ATOM 976 CB THR 120 -12.551 -4.859 6.260 1.00 0.00 ATOM 977 CG2 THR 120 -14.035 -4.640 6.503 1.00 0.00 ATOM 978 OG1 THR 120 -12.382 -5.532 5.006 1.00 0.00 ATOM 979 O THR 120 -12.995 -1.912 7.491 1.00 0.00 ATOM 980 C THR 120 -12.132 -2.809 7.531 1.00 0.00 ATOM 981 N LYS 121 -11.450 -3.019 8.629 1.00 0.00 ATOM 982 CA LYS 121 -11.666 -2.271 9.895 1.00 0.00 ATOM 983 CB LYS 121 -11.948 -3.148 11.106 1.00 0.00 ATOM 984 CG LYS 121 -11.055 -4.398 11.225 1.00 0.00 ATOM 985 CD LYS 121 -11.426 -5.315 12.376 1.00 0.00 ATOM 986 CE LYS 121 -10.488 -6.489 12.589 1.00 0.00 ATOM 987 NZ LYS 121 -10.946 -7.676 11.800 1.00 0.00 ATOM 988 O LYS 121 -9.356 -1.922 10.568 1.00 0.00 ATOM 989 C LYS 121 -10.418 -1.429 10.156 1.00 0.00 ATOM 990 N LEU 122 -10.536 -0.145 9.896 1.00 0.00 ATOM 991 CA LEU 122 -9.450 0.801 9.893 1.00 0.00 ATOM 992 CB LEU 122 -8.998 1.069 8.478 1.00 0.00 ATOM 993 CG LEU 122 -7.823 0.491 7.812 1.00 0.00 ATOM 994 CD1 LEU 122 -7.333 -0.843 8.338 1.00 0.00 ATOM 995 CD2 LEU 122 -8.097 0.364 6.304 1.00 0.00 ATOM 996 O LEU 122 -10.519 2.937 10.163 1.00 0.00 ATOM 997 C LEU 122 -9.889 2.036 10.686 1.00 0.00 ATOM 998 N GLY 123 -12.802 2.307 10.716 1.00 0.00 ATOM 999 CA GLY 123 -13.759 3.073 9.941 1.00 0.00 ATOM 1000 O GLY 123 -13.824 4.125 7.791 1.00 0.00 ATOM 1001 C GLY 123 -13.354 3.225 8.481 1.00 0.00 ATOM 1002 N PHE 124 -12.488 2.355 8.009 1.00 0.00 ATOM 1003 CA PHE 124 -12.033 2.426 6.609 1.00 0.00 ATOM 1004 CB PHE 124 -10.536 2.068 6.503 1.00 0.00 ATOM 1005 CG PHE 124 -9.592 3.159 6.945 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.644 3.676 8.236 1.00 0.00 ATOM 1007 CD2 PHE 124 -8.549 3.551 6.123 1.00 0.00 ATOM 1008 CE1 PHE 124 -8.747 4.669 8.652 1.00 0.00 ATOM 1009 CE2 PHE 124 -7.647 4.528 6.532 1.00 0.00 ATOM 1010 CZ PHE 124 -7.719 5.049 7.817 1.00 0.00 ATOM 1011 O PHE 124 -12.567 0.195 5.866 1.00 0.00 ATOM 1012 C PHE 124 -12.835 1.402 5.799 1.00 0.00 ATOM 1013 N ASP 125 -13.800 1.877 5.016 1.00 0.00 ATOM 1014 CA ASP 125 -14.530 0.961 4.132 1.00 0.00 ATOM 1015 CB ASP 125 -16.031 0.991 4.446 1.00 0.00 ATOM 1016 CG ASP 125 -16.825 0.026 3.585 1.00 0.00 ATOM 1017 OD1 ASP 125 -16.229 -0.861 2.957 1.00 0.00 ATOM 1018 OD2 ASP 125 -18.062 0.137 3.575 1.00 0.00 ATOM 1019 O ASP 125 -15.060 1.811 1.935 1.00 0.00 ATOM 1020 C ASP 125 -14.220 1.295 2.673 1.00 0.00 ATOM 1021 N ILE 126 -12.943 1.149 2.315 1.00 0.00 ATOM 1022 CA ILE 126 -12.457 1.576 1.005 1.00 0.00 ATOM 1023 CB ILE 126 -10.969 1.997 1.100 1.00 0.00 ATOM 1024 CG1 ILE 126 -10.795 3.038 2.224 1.00 0.00 ATOM 1025 CG2 ILE 126 -10.418 2.475 -0.285 1.00 0.00 ATOM 1026 CD1 ILE 126 -11.781 4.209 2.157 1.00 0.00 ATOM 1027 O ILE 126 -12.001 -0.639 0.194 1.00 0.00 ATOM 1028 C ILE 126 -12.624 0.409 0.019 1.00 0.00 ATOM 1029 N GLU 127 -13.465 0.585 -0.996 1.00 0.00 ATOM 1030 CA GLU 127 -13.814 -0.526 -1.891 1.00 0.00 ATOM 1031 CB GLU 127 -15.300 -0.870 -1.759 1.00 0.00 ATOM 1032 CG GLU 127 -15.639 -1.339 -0.356 1.00 0.00 ATOM 1033 CD GLU 127 -17.101 -1.708 -0.168 1.00 0.00 ATOM 1034 OE1 GLU 127 -17.840 -1.751 -1.167 1.00 0.00 ATOM 1035 OE2 GLU 127 -17.522 -1.934 0.992 1.00 0.00 ATOM 1036 O GLU 127 -13.493 -1.267 -4.137 1.00 0.00 ATOM 1037 C GLU 127 -13.426 -0.331 -3.352 1.00 0.00 ATOM 1038 N LYS 128 -10.206 0.390 -3.664 1.00 0.00 ATOM 1039 CA LYS 128 -9.518 0.037 -4.899 1.00 0.00 ATOM 1040 CB LYS 128 -7.973 -0.039 -4.626 1.00 0.00 ATOM 1041 CG LYS 128 -7.183 -0.361 -5.894 1.00 0.00 ATOM 1042 CD LYS 128 -5.681 -0.334 -5.700 1.00 0.00 ATOM 1043 CE LYS 128 -4.958 -0.755 -6.990 1.00 0.00 ATOM 1044 NZ LYS 128 -3.469 -0.667 -6.867 1.00 0.00 ATOM 1045 O LYS 128 -10.049 -1.307 -6.803 1.00 0.00 ATOM 1046 C LYS 128 -10.089 -1.199 -5.578 1.00 0.00 ATOM 1047 N GLY 129 -10.612 -2.137 -4.795 1.00 0.00 ATOM 1048 CA GLY 129 -11.149 -3.364 -5.364 1.00 0.00 ATOM 1049 O GLY 129 -11.108 -4.089 -3.109 1.00 0.00 ATOM 1050 C GLY 129 -11.170 -4.430 -4.286 1.00 0.00 ATOM 1051 N THR 130 -11.262 -5.699 -4.670 1.00 0.00 ATOM 1052 CA THR 130 -11.286 -6.796 -3.698 1.00 0.00 ATOM 1053 CB THR 130 -12.688 -7.428 -3.573 1.00 0.00 ATOM 1054 CG2 THR 130 -13.663 -6.438 -2.975 1.00 0.00 ATOM 1055 OG1 THR 130 -13.161 -7.847 -4.858 1.00 0.00 ATOM 1056 O THR 130 -9.926 -7.980 -5.286 1.00 0.00 ATOM 1057 C THR 130 -10.361 -7.918 -4.127 1.00 0.00 ATOM 1058 N LYS 131 -10.029 -8.777 -3.161 1.00 0.00 ATOM 1059 CA LYS 131 -9.195 -9.940 -3.454 1.00 0.00 ATOM 1060 CB LYS 131 -9.754 -11.188 -2.868 1.00 0.00 ATOM 1061 CG LYS 131 -9.487 -11.189 -1.344 1.00 0.00 ATOM 1062 CD LYS 131 -9.763 -12.545 -0.715 1.00 0.00 ATOM 1063 CE LYS 131 -9.324 -12.601 0.741 1.00 0.00 ATOM 1064 NZ LYS 131 -9.404 -13.997 1.273 1.00 0.00 ATOM 1065 O LYS 131 -8.977 -11.119 -5.530 1.00 0.00 ATOM 1066 C LYS 131 -9.725 -10.788 -4.603 1.00 0.00 ATOM 1067 N THR 132 -11.012 -11.119 -4.550 1.00 0.00 ATOM 1068 CA THR 132 -11.631 -11.935 -5.591 1.00 0.00 ATOM 1069 CB THR 132 -13.093 -12.270 -5.235 1.00 0.00 ATOM 1070 CG2 THR 132 -13.693 -13.220 -6.262 1.00 0.00 ATOM 1071 OG1 THR 132 -13.130 -12.896 -3.942 1.00 0.00 ATOM 1072 O THR 132 -11.288 -11.890 -7.966 1.00 0.00 ATOM 1073 C THR 132 -11.557 -11.242 -6.952 1.00 0.00 ATOM 1074 N VAL 133 -11.752 -9.932 -6.973 1.00 0.00 ATOM 1075 CA VAL 133 -11.678 -9.179 -8.228 1.00 0.00 ATOM 1076 CB VAL 133 -11.920 -7.676 -8.002 1.00 0.00 ATOM 1077 CG1 VAL 133 -11.637 -6.893 -9.274 1.00 0.00 ATOM 1078 CG2 VAL 133 -13.365 -7.425 -7.596 1.00 0.00 ATOM 1079 O VAL 133 -10.329 -9.460 -10.189 1.00 0.00 ATOM 1080 C VAL 133 -10.350 -9.251 -8.978 1.00 0.00 ATOM 1081 N ASN 134 -9.241 -9.050 -8.255 1.00 0.00 ATOM 1082 CA ASN 134 -7.929 -9.081 -8.869 1.00 0.00 ATOM 1083 CB ASN 134 -7.084 -7.725 -8.576 1.00 0.00 ATOM 1084 CG ASN 134 -6.013 -7.309 -9.588 1.00 0.00 ATOM 1085 ND2 ASN 134 -5.556 -6.066 -9.486 1.00 0.00 ATOM 1086 OD1 ASN 134 -5.592 -8.104 -10.440 1.00 0.00 ATOM 1087 O ASN 134 -5.885 -10.341 -8.439 1.00 0.00 ATOM 1088 C ASN 134 -7.112 -10.313 -8.510 1.00 0.00 ATOM 1089 N GLY 135 -7.592 -11.099 -7.447 1.00 0.00 ATOM 1090 CA GLY 135 -6.791 -12.226 -7.019 1.00 0.00 ATOM 1091 O GLY 135 -8.549 -12.409 -5.418 1.00 0.00 ATOM 1092 C GLY 135 -7.516 -12.900 -5.872 1.00 0.00 ATOM 1093 N ILE 136 -6.965 -14.001 -5.375 1.00 0.00 ATOM 1094 CA ILE 136 -7.592 -14.740 -4.286 1.00 0.00 ATOM 1095 CB ILE 136 -6.945 -16.128 -4.098 1.00 0.00 ATOM 1096 CG1 ILE 136 -7.206 -16.999 -5.322 1.00 0.00 ATOM 1097 CG2 ILE 136 -7.508 -16.801 -2.863 1.00 0.00 ATOM 1098 CD1 ILE 136 -6.586 -18.379 -5.226 1.00 0.00 ATOM 1099 O ILE 136 -6.402 -13.583 -2.568 1.00 0.00 ATOM 1100 C ILE 136 -7.490 -13.959 -2.982 1.00 0.00 ATOM 1101 N SER 137 -8.605 -13.715 -2.322 1.00 0.00 ATOM 1102 CA SER 137 -8.624 -12.966 -1.077 1.00 0.00 ATOM 1103 CB SER 137 -8.174 -14.198 0.086 1.00 0.00 ATOM 1104 OG SER 137 -8.766 -14.176 1.379 1.00 0.00 ATOM 1105 O SER 137 -7.720 -10.937 -0.187 1.00 0.00 ATOM 1106 C SER 137 -8.192 -11.505 -1.168 1.00 0.00 ATOM 1107 N VAL 138 -8.340 -10.919 -2.351 1.00 0.00 ATOM 1108 CA VAL 138 -8.005 -9.518 -2.563 1.00 0.00 ATOM 1109 CB VAL 138 -6.866 -9.354 -3.576 1.00 0.00 ATOM 1110 CG1 VAL 138 -6.572 -7.895 -3.860 1.00 0.00 ATOM 1111 CG2 VAL 138 -5.625 -10.068 -3.073 1.00 0.00 ATOM 1112 O VAL 138 -9.884 -9.332 -4.035 1.00 0.00 ATOM 1113 C VAL 138 -9.274 -8.842 -3.061 1.00 0.00 ATOM 1114 N PHE 139 -9.637 -7.703 -2.469 1.00 0.00 ATOM 1115 CA PHE 139 -10.870 -7.022 -2.886 1.00 0.00 ATOM 1116 CB PHE 139 -12.073 -7.635 -2.168 1.00 0.00 ATOM 1117 CG PHE 139 -11.949 -7.548 -0.680 1.00 0.00 ATOM 1118 CD1 PHE 139 -11.307 -8.574 0.021 1.00 0.00 ATOM 1119 CD2 PHE 139 -12.488 -6.481 0.015 1.00 0.00 ATOM 1120 CE1 PHE 139 -11.172 -8.468 1.404 1.00 0.00 ATOM 1121 CE2 PHE 139 -12.345 -6.398 1.396 1.00 0.00 ATOM 1122 CZ PHE 139 -11.676 -7.386 2.113 1.00 0.00 ATOM 1123 O PHE 139 -9.882 -5.039 -1.938 1.00 0.00 ATOM 1124 C PHE 139 -10.726 -5.528 -2.661 1.00 0.00 ATOM 1125 N ALA 140 -10.829 -4.325 -3.281 1.00 0.00 ATOM 1126 CA ALA 140 -10.679 -2.868 -3.146 1.00 0.00 ATOM 1127 CB ALA 140 -9.970 -2.328 -4.326 1.00 0.00 ATOM 1128 O ALA 140 -12.884 -2.783 -4.078 1.00 0.00 ATOM 1129 C ALA 140 -12.026 -2.206 -3.408 1.00 0.00 ATOM 1130 N ASN 141 -12.214 -1.010 -2.888 1.00 0.00 ATOM 1131 CA ASN 141 -13.460 -0.266 -3.061 1.00 0.00 ATOM 1132 CB ASN 141 -14.491 -0.680 -2.027 1.00 0.00 ATOM 1133 CG ASN 141 -15.767 0.134 -2.095 1.00 0.00 ATOM 1134 ND2 ASN 141 -16.894 -0.492 -2.346 1.00 0.00 ATOM 1135 OD1 ASN 141 -15.673 1.338 -1.895 1.00 0.00 ATOM 1136 O ASN 141 -12.508 1.559 -1.904 1.00 0.00 ATOM 1137 C ASN 141 -13.044 1.188 -2.958 1.00 0.00 ATOM 1138 N TYR 142 -13.249 1.974 -4.033 1.00 0.00 ATOM 1139 CA TYR 142 -12.793 3.350 -3.996 1.00 0.00 ATOM 1140 CB TYR 142 -11.464 3.541 -4.784 1.00 0.00 ATOM 1141 CG TYR 142 -11.571 3.282 -6.267 1.00 0.00 ATOM 1142 CD1 TYR 142 -12.164 4.231 -7.108 1.00 0.00 ATOM 1143 CD2 TYR 142 -11.128 2.077 -6.830 1.00 0.00 ATOM 1144 CE1 TYR 142 -12.325 3.974 -8.499 1.00 0.00 ATOM 1145 CE2 TYR 142 -11.290 1.816 -8.218 1.00 0.00 ATOM 1146 CZ TYR 142 -11.895 2.761 -9.031 1.00 0.00 ATOM 1147 OH TYR 142 -12.174 2.484 -10.383 1.00 0.00 ATOM 1148 O TYR 142 -13.886 5.480 -4.095 1.00 0.00 ATOM 1149 C TYR 142 -13.943 4.319 -3.711 1.00 0.00 ATOM 1150 N ASP 143 -14.961 3.824 -3.014 1.00 0.00 ATOM 1151 CA ASP 143 -16.051 4.762 -2.644 1.00 0.00 ATOM 1152 CB ASP 143 -17.107 4.034 -1.833 1.00 0.00 ATOM 1153 CG ASP 143 -18.344 4.814 -1.482 1.00 0.00 ATOM 1154 OD1 ASP 143 -18.572 5.859 -2.149 1.00 0.00 ATOM 1155 OD2 ASP 143 -19.066 4.372 -0.553 1.00 0.00 ATOM 1156 O ASP 143 -15.755 7.117 -2.150 1.00 0.00 ATOM 1157 C ASP 143 -15.473 5.935 -1.881 1.00 0.00 ATOM 1158 N GLY 144 -14.627 5.690 -0.887 1.00 0.00 ATOM 1159 CA GLY 144 -14.021 6.713 -0.070 1.00 0.00 ATOM 1160 O GLY 144 -14.407 8.485 1.436 1.00 0.00 ATOM 1161 C GLY 144 -14.892 7.456 0.911 1.00 0.00 ATOM 1162 N PRO 145 -16.131 7.004 1.169 1.00 0.00 ATOM 1163 CA PRO 145 -16.997 7.662 2.126 1.00 0.00 ATOM 1164 CB PRO 145 -18.266 6.819 2.092 1.00 0.00 ATOM 1165 CG PRO 145 -18.218 6.033 0.855 1.00 0.00 ATOM 1166 CD PRO 145 -16.747 5.866 0.488 1.00 0.00 ATOM 1167 O PRO 145 -15.630 6.776 3.926 1.00 0.00 ATOM 1168 C PRO 145 -16.366 7.693 3.506 1.00 0.00 ATOM 1169 N GLY 146 -16.589 8.784 4.242 1.00 0.00 ATOM 1170 CA GLY 146 -16.074 8.993 5.565 1.00 0.00 ATOM 1171 O GLY 146 -14.321 10.180 6.688 1.00 0.00 ATOM 1172 C GLY 146 -14.772 9.776 5.625 1.00 0.00 ATOM 1173 N GLN 147 -14.188 10.005 4.454 1.00 0.00 ATOM 1174 CA GLN 147 -12.941 10.768 4.365 1.00 0.00 ATOM 1175 CB GLN 147 -12.068 10.256 3.213 1.00 0.00 ATOM 1176 CG GLN 147 -11.452 8.870 3.433 1.00 0.00 ATOM 1177 CD GLN 147 -12.465 7.783 3.697 1.00 0.00 ATOM 1178 OE1 GLN 147 -13.388 7.513 2.899 1.00 0.00 ATOM 1179 NE2 GLN 147 -12.386 7.165 4.880 1.00 0.00 ATOM 1180 O GLN 147 -14.212 12.694 3.616 1.00 0.00 ATOM 1181 C GLN 147 -13.254 12.251 4.303 1.00 0.00 ATOM 1182 N ASP 148 -12.459 13.060 4.972 1.00 0.00 ATOM 1183 CA ASP 148 -12.652 14.505 4.904 1.00 0.00 ATOM 1184 CB ASP 148 -11.654 15.224 5.818 1.00 0.00 ATOM 1185 CG ASP 148 -12.045 15.163 7.287 1.00 0.00 ATOM 1186 OD1 ASP 148 -11.233 15.604 8.130 1.00 0.00 ATOM 1187 OD2 ASP 148 -13.156 14.684 7.599 1.00 0.00 ATOM 1188 O ASP 148 -13.336 15.797 3.013 1.00 0.00 ATOM 1189 C ASP 148 -12.498 15.033 3.486 1.00 0.00 ATOM 1190 N ARG 149 -11.425 14.622 2.811 1.00 0.00 ATOM 1191 CA ARG 149 -11.147 15.072 1.449 1.00 0.00 ATOM 1192 CB ARG 149 -9.772 14.564 1.003 1.00 0.00 ATOM 1193 CG ARG 149 -9.209 15.232 -0.246 1.00 0.00 ATOM 1194 CD ARG 149 -9.016 16.735 -0.046 1.00 0.00 ATOM 1195 NE ARG 149 -8.510 17.045 1.291 1.00 0.00 ATOM 1196 CZ ARG 149 -7.311 16.698 1.751 1.00 0.00 ATOM 1197 NH1 ARG 149 -6.463 16.029 0.979 1.00 0.00 ATOM 1198 NH2 ARG 149 -6.967 16.995 2.996 1.00 0.00 ATOM 1199 O ARG 149 -12.597 15.356 -0.439 1.00 0.00 ATOM 1200 C ARG 149 -12.209 14.607 0.458 1.00 0.00 ATOM 1201 N VAL 150 -12.671 13.370 0.612 1.00 0.00 ATOM 1202 CA VAL 150 -13.693 12.837 -0.278 1.00 0.00 ATOM 1203 CB VAL 150 -13.944 11.336 -0.016 1.00 0.00 ATOM 1204 CG1 VAL 150 -15.168 10.875 -0.781 1.00 0.00 ATOM 1205 CG2 VAL 150 -12.724 10.522 -0.452 1.00 0.00 ATOM 1206 O VAL 150 -15.653 13.958 -1.081 1.00 0.00 ATOM 1207 C VAL 150 -14.994 13.611 -0.105 1.00 0.00 ATOM 1208 N LEU 151 -15.362 13.900 1.137 1.00 0.00 ATOM 1209 CA LEU 151 -16.584 14.649 1.388 1.00 0.00 ATOM 1210 CB LEU 151 -16.876 14.708 2.886 1.00 0.00 ATOM 1211 CG LEU 151 -18.155 15.432 3.325 1.00 0.00 ATOM 1212 CD1 LEU 151 -19.379 14.866 2.603 1.00 0.00 ATOM 1213 CD2 LEU 151 -18.307 15.276 4.837 1.00 0.00 ATOM 1214 O LEU 151 -17.469 16.602 0.323 1.00 0.00 ATOM 1215 C LEU 151 -16.480 16.054 0.806 1.00 0.00 ATOM 1216 N PHE 152 -15.293 16.643 0.842 1.00 0.00 ATOM 1217 CA PHE 152 -15.094 17.974 0.271 1.00 0.00 ATOM 1218 CB PHE 152 -13.746 18.564 0.711 1.00 0.00 ATOM 1219 CG PHE 152 -13.563 19.998 0.321 1.00 0.00 ATOM 1220 CD1 PHE 152 -14.346 20.994 0.894 1.00 0.00 ATOM 1221 CD2 PHE 152 -12.630 20.359 -0.646 1.00 0.00 ATOM 1222 CE1 PHE 152 -14.203 22.328 0.513 1.00 0.00 ATOM 1223 CE2 PHE 152 -12.482 21.685 -1.031 1.00 0.00 ATOM 1224 CZ PHE 152 -13.272 22.673 -0.449 1.00 0.00 ATOM 1225 O PHE 152 -15.682 18.800 -1.906 1.00 0.00 ATOM 1226 C PHE 152 -15.156 17.898 -1.254 1.00 0.00 ATOM 1227 N VAL 153 -14.620 16.829 -1.820 1.00 0.00 ATOM 1228 CA VAL 153 -14.629 16.614 -3.269 1.00 0.00 ATOM 1229 CB VAL 153 -13.310 15.884 -3.651 1.00 0.00 ATOM 1230 CG1 VAL 153 -13.334 15.381 -5.094 1.00 0.00 ATOM 1231 CG2 VAL 153 -12.126 16.831 -3.463 1.00 0.00 ATOM 1232 O VAL 153 -15.931 14.644 -3.102 1.00 0.00 ATOM 1233 C VAL 153 -15.813 15.727 -3.657 1.00 0.00 ATOM 1234 N LYS 154 -16.671 16.170 -4.610 1.00 0.00 ATOM 1235 CA LYS 154 -17.812 15.374 -5.042 1.00 0.00 ATOM 1236 CB LYS 154 -18.663 16.143 -6.066 1.00 0.00 ATOM 1237 CG LYS 154 -19.434 17.306 -5.463 1.00 0.00 ATOM 1238 CD LYS 154 -20.409 17.906 -6.450 1.00 0.00 ATOM 1239 CE LYS 154 -19.689 18.508 -7.642 1.00 0.00 ATOM 1240 NZ LYS 154 -20.660 19.159 -8.564 1.00 0.00 ATOM 1241 O LYS 154 -18.036 13.023 -5.453 1.00 0.00 ATOM 1242 C LYS 154 -17.372 14.047 -5.641 1.00 0.00 ATOM 1243 N ASN 155 -16.245 14.061 -6.354 1.00 0.00 ATOM 1244 CA ASN 155 -15.755 12.830 -6.975 1.00 0.00 ATOM 1245 CB ASN 155 -14.555 13.102 -7.871 1.00 0.00 ATOM 1246 CG ASN 155 -14.816 13.925 -9.099 1.00 0.00 ATOM 1247 ND2 ASN 155 -13.720 14.276 -9.765 1.00 0.00 ATOM 1248 OD1 ASN 155 -15.941 14.244 -9.485 1.00 0.00 ATOM 1249 O ASN 155 -15.595 10.616 -6.013 1.00 0.00 ATOM 1250 C ASN 155 -15.324 11.812 -5.923 1.00 0.00 ATOM 1251 N ILE 156 -14.636 12.290 -4.893 1.00 0.00 ATOM 1252 CA ILE 156 -14.176 11.407 -3.826 1.00 0.00 ATOM 1253 CB ILE 156 -13.326 12.186 -2.809 1.00 0.00 ATOM 1254 CG1 ILE 156 -12.017 12.657 -3.444 1.00 0.00 ATOM 1255 CG2 ILE 156 -13.103 11.357 -1.557 1.00 0.00 ATOM 1256 CD1 ILE 156 -11.325 13.755 -2.674 1.00 0.00 ATOM 1257 O ILE 156 -15.346 9.518 -2.907 1.00 0.00 ATOM 1258 C ILE 156 -15.344 10.720 -3.138 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:29:19 2002 Date: Thu, 5 Sep 2002 15:29:13 -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 Sep 5 15:00:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_234336_42050 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_3 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 3 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 3 PARENT N/A ATOM 1 N MET 1 1.649 -16.179 1.642 1.00 0.00 ATOM 2 CA MET 1 0.333 -16.714 1.196 1.00 0.00 ATOM 3 CB MET 1 0.827 -18.291 0.737 1.00 0.00 ATOM 4 CG MET 1 -0.137 -19.171 -0.022 1.00 0.00 ATOM 5 SD MET 1 0.401 -19.460 -1.724 1.00 0.00 ATOM 6 CE MET 1 1.993 -18.594 -1.789 1.00 0.00 ATOM 7 O MET 1 -1.830 -16.988 2.206 1.00 0.00 ATOM 8 C MET 1 -0.769 -16.372 2.195 1.00 0.00 ATOM 9 N ASP 2 -0.434 -15.404 3.062 1.00 0.00 ATOM 10 CA ASP 2 -1.350 -14.980 4.086 1.00 0.00 ATOM 11 CB ASP 2 -1.173 -15.827 5.348 1.00 0.00 ATOM 12 CG ASP 2 0.199 -15.663 5.971 1.00 0.00 ATOM 13 OD1 ASP 2 0.602 -16.542 6.762 1.00 0.00 ATOM 14 OD2 ASP 2 0.872 -14.655 5.670 1.00 0.00 ATOM 15 O ASP 2 -0.034 -13.018 3.965 1.00 0.00 ATOM 16 C ASP 2 -1.047 -13.528 4.390 1.00 0.00 ATOM 17 N ILE 3 -1.938 -12.851 5.101 1.00 0.00 ATOM 18 CA ILE 3 -1.776 -11.452 5.415 1.00 0.00 ATOM 19 CB ILE 3 -2.812 -10.585 4.676 1.00 0.00 ATOM 20 CG1 ILE 3 -2.553 -9.099 4.943 1.00 0.00 ATOM 21 CG2 ILE 3 -4.220 -10.919 5.144 1.00 0.00 ATOM 22 CD1 ILE 3 -3.321 -8.171 4.028 1.00 0.00 ATOM 23 O ILE 3 -2.822 -11.883 7.519 1.00 0.00 ATOM 24 C ILE 3 -1.959 -11.259 6.920 1.00 0.00 ATOM 25 N ARG 4 -1.153 -10.381 7.501 1.00 0.00 ATOM 26 CA ARG 4 -1.178 -10.067 8.912 1.00 0.00 ATOM 27 CB ARG 4 -0.079 -10.744 9.716 1.00 0.00 ATOM 28 CG ARG 4 -0.218 -10.449 11.228 1.00 0.00 ATOM 29 CD ARG 4 0.939 -11.155 11.962 1.00 0.00 ATOM 30 NE ARG 4 0.771 -12.631 11.766 1.00 0.00 ATOM 31 CZ ARG 4 1.769 -13.430 12.280 1.00 0.00 ATOM 32 NH1 ARG 4 2.795 -12.912 12.938 1.00 0.00 ATOM 33 NH2 ARG 4 1.641 -14.762 12.149 1.00 0.00 ATOM 34 O ARG 4 -0.059 -8.070 8.181 1.00 0.00 ATOM 35 C ARG 4 -0.606 -8.653 9.109 1.00 0.00 ATOM 36 N THR 5 -0.742 -8.115 10.315 1.00 0.00 ATOM 37 CA THR 5 -0.171 -6.813 10.643 1.00 0.00 ATOM 38 CB THR 5 -0.621 -6.335 12.036 1.00 0.00 ATOM 39 CG2 THR 5 -2.134 -6.187 12.087 1.00 0.00 ATOM 40 OG1 THR 5 -0.214 -7.287 13.025 1.00 0.00 ATOM 41 O THR 5 1.929 -7.979 10.880 1.00 0.00 ATOM 42 C THR 5 1.353 -6.919 10.630 1.00 0.00 ATOM 43 N ILE 6 2.003 -5.796 10.363 1.00 0.00 ATOM 44 CA ILE 6 3.438 -5.747 10.333 1.00 0.00 ATOM 45 CB ILE 6 3.949 -4.387 9.822 1.00 0.00 ATOM 46 CG1 ILE 6 5.436 -4.470 9.475 1.00 0.00 ATOM 47 CG2 ILE 6 3.759 -3.313 10.883 1.00 0.00 ATOM 48 CD1 ILE 6 5.948 -3.283 8.688 1.00 0.00 ATOM 49 O ILE 6 3.348 -5.656 12.727 1.00 0.00 ATOM 50 C ILE 6 3.990 -5.968 11.739 1.00 0.00 ATOM 51 N THR 7 5.198 -6.499 11.836 1.00 0.00 ATOM 52 CA THR 7 5.791 -6.716 13.151 1.00 0.00 ATOM 53 CB THR 7 5.851 -8.213 13.504 1.00 0.00 ATOM 54 CG2 THR 7 4.461 -8.827 13.460 1.00 0.00 ATOM 55 OG1 THR 7 6.690 -8.895 12.564 1.00 0.00 ATOM 56 O THR 7 7.785 -5.922 12.097 1.00 0.00 ATOM 57 C THR 7 7.197 -6.160 13.156 1.00 0.00 ATOM 58 N SER 8 7.730 -5.967 14.358 1.00 0.00 ATOM 59 CA SER 8 9.076 -5.453 14.563 1.00 0.00 ATOM 60 CB SER 8 9.462 -5.535 16.041 1.00 0.00 ATOM 61 OG SER 8 8.649 -4.685 16.829 1.00 0.00 ATOM 62 O SER 8 11.052 -5.614 13.279 1.00 0.00 ATOM 63 C SER 8 10.120 -6.208 13.790 1.00 0.00 ATOM 64 N SER 9 9.973 -7.525 13.714 1.00 0.00 ATOM 65 CA SER 9 10.928 -8.333 12.964 1.00 0.00 ATOM 66 CB SER 9 10.720 -9.820 13.257 1.00 0.00 ATOM 67 OG SER 9 9.471 -10.268 12.759 1.00 0.00 ATOM 68 O SER 9 11.697 -8.715 10.766 1.00 0.00 ATOM 69 C SER 9 10.840 -8.183 11.459 1.00 0.00 ATOM 70 N ASP 10 9.838 -7.461 10.932 1.00 0.00 ATOM 71 CA ASP 10 9.722 -7.300 9.457 1.00 0.00 ATOM 72 CB ASP 10 8.298 -6.894 9.071 1.00 0.00 ATOM 73 CG ASP 10 7.297 -8.011 9.283 1.00 0.00 ATOM 74 OD1 ASP 10 6.314 -8.081 8.513 1.00 0.00 ATOM 75 OD2 ASP 10 7.492 -8.816 10.218 1.00 0.00 ATOM 76 O ASP 10 10.719 -6.033 7.684 1.00 0.00 ATOM 77 C ASP 10 10.676 -6.216 8.880 1.00 0.00 ATOM 78 N TYR 11 11.448 -5.519 9.707 1.00 0.00 ATOM 79 CA TYR 11 12.290 -4.442 9.167 1.00 0.00 ATOM 80 CB TYR 11 13.409 -4.113 10.168 1.00 0.00 ATOM 81 CG TYR 11 14.382 -3.082 9.656 1.00 0.00 ATOM 82 CD1 TYR 11 14.111 -1.723 9.781 1.00 0.00 ATOM 83 CD2 TYR 11 15.540 -3.465 8.994 1.00 0.00 ATOM 84 CE1 TYR 11 14.964 -0.779 9.253 1.00 0.00 ATOM 85 CE2 TYR 11 16.394 -2.527 8.461 1.00 0.00 ATOM 86 CZ TYR 11 16.101 -1.186 8.592 1.00 0.00 ATOM 87 OH TYR 11 16.941 -0.241 8.044 1.00 0.00 ATOM 88 O TYR 11 12.856 -3.964 6.914 1.00 0.00 ATOM 89 C TYR 11 13.048 -4.675 7.860 1.00 0.00 ATOM 90 N GLU 12 13.920 -5.663 7.807 1.00 0.00 ATOM 91 CA GLU 12 14.677 -5.955 6.597 1.00 0.00 ATOM 92 CB GLU 12 15.462 -7.258 6.756 1.00 0.00 ATOM 93 CG GLU 12 16.295 -7.635 5.542 1.00 0.00 ATOM 94 CD GLU 12 17.097 -8.903 5.756 1.00 0.00 ATOM 95 OE1 GLU 12 16.999 -9.489 6.854 1.00 0.00 ATOM 96 OE2 GLU 12 17.822 -9.310 4.826 1.00 0.00 ATOM 97 O GLU 12 13.968 -5.374 4.412 1.00 0.00 ATOM 98 C GLU 12 13.812 -6.109 5.380 1.00 0.00 ATOM 99 N MET 13 12.905 -7.080 5.428 1.00 0.00 ATOM 100 CA MET 13 12.062 -7.371 4.281 1.00 0.00 ATOM 101 CB MET 13 11.138 -8.553 4.581 1.00 0.00 ATOM 102 CG MET 13 11.856 -9.887 4.700 1.00 0.00 ATOM 103 SD MET 13 12.693 -10.364 3.176 1.00 0.00 ATOM 104 CE MET 13 11.295 -10.675 2.103 1.00 0.00 ATOM 105 O MET 13 10.945 -6.142 2.593 1.00 0.00 ATOM 106 C MET 13 11.133 -6.285 3.787 1.00 0.00 ATOM 107 N VAL 14 10.579 -5.532 4.721 1.00 0.00 ATOM 108 CA VAL 14 9.677 -4.431 4.462 1.00 0.00 ATOM 109 CB VAL 14 9.007 -3.934 5.756 1.00 0.00 ATOM 110 CG1 VAL 14 8.210 -2.667 5.491 1.00 0.00 ATOM 111 CG2 VAL 14 8.059 -4.992 6.305 1.00 0.00 ATOM 112 O VAL 14 10.023 -2.716 2.868 1.00 0.00 ATOM 113 C VAL 14 10.455 -3.284 3.852 1.00 0.00 ATOM 114 N THR 15 11.605 -2.935 4.408 1.00 0.00 ATOM 115 CA THR 15 12.366 -1.847 3.796 1.00 0.00 ATOM 116 CB THR 15 13.647 -1.534 4.593 1.00 0.00 ATOM 117 CG2 THR 15 14.443 -0.433 3.913 1.00 0.00 ATOM 118 OG1 THR 15 13.299 -1.107 5.916 1.00 0.00 ATOM 119 O THR 15 12.740 -1.474 1.430 1.00 0.00 ATOM 120 C THR 15 12.744 -2.276 2.390 1.00 0.00 ATOM 121 N SER 16 13.046 -3.554 2.245 1.00 0.00 ATOM 122 CA SER 16 13.410 -4.050 0.946 1.00 0.00 ATOM 123 CB SER 16 13.829 -5.519 1.031 1.00 0.00 ATOM 124 OG SER 16 15.019 -5.667 1.787 1.00 0.00 ATOM 125 O SER 16 12.451 -3.550 -1.199 1.00 0.00 ATOM 126 C SER 16 12.240 -3.955 -0.055 1.00 0.00 ATOM 127 N VAL 17 11.010 -4.300 0.332 1.00 0.00 ATOM 128 CA VAL 17 9.953 -4.203 -0.674 1.00 0.00 ATOM 129 CB VAL 17 8.638 -4.953 -0.227 1.00 0.00 ATOM 130 CG1 VAL 17 8.846 -6.473 -0.229 1.00 0.00 ATOM 131 CG2 VAL 17 8.191 -4.486 1.161 1.00 0.00 ATOM 132 O VAL 17 8.973 -2.441 -1.974 1.00 0.00 ATOM 133 C VAL 17 9.451 -2.761 -0.888 1.00 0.00 ATOM 134 N LEU 18 9.634 -1.892 0.117 1.00 0.00 ATOM 135 CA LEU 18 9.230 -0.488 0.029 1.00 0.00 ATOM 136 CB LEU 18 8.974 -0.034 1.560 1.00 0.00 ATOM 137 CG LEU 18 8.498 1.392 1.901 1.00 0.00 ATOM 138 CD1 LEU 18 9.656 2.397 1.809 1.00 0.00 ATOM 139 CD2 LEU 18 7.357 1.814 1.004 1.00 0.00 ATOM 140 O LEU 18 9.770 1.317 -1.428 1.00 0.00 ATOM 141 C LEU 18 10.153 0.269 -0.903 1.00 0.00 ATOM 142 N ASN 19 11.360 -0.268 -1.104 1.00 0.00 ATOM 143 CA ASN 19 12.340 0.373 -1.983 1.00 0.00 ATOM 144 CB ASN 19 13.621 -0.460 -2.055 1.00 0.00 ATOM 145 CG ASN 19 14.738 0.249 -2.794 1.00 0.00 ATOM 146 ND2 ASN 19 15.189 -0.346 -3.891 1.00 0.00 ATOM 147 OD1 ASN 19 15.186 1.319 -2.380 1.00 0.00 ATOM 148 O ASN 19 12.127 1.403 -4.138 1.00 0.00 ATOM 149 C ASN 19 11.772 0.511 -3.388 1.00 0.00 ATOM 150 N GLU 20 10.904 -0.410 -3.737 1.00 0.00 ATOM 151 CA GLU 20 10.256 -0.457 -5.041 1.00 0.00 ATOM 152 CB GLU 20 9.567 -1.825 -5.212 1.00 0.00 ATOM 153 CG GLU 20 8.878 -2.069 -6.575 1.00 0.00 ATOM 154 CD GLU 20 9.818 -2.102 -7.784 1.00 0.00 ATOM 155 OE1 GLU 20 9.358 -2.557 -8.855 1.00 0.00 ATOM 156 OE2 GLU 20 10.996 -1.666 -7.700 1.00 0.00 ATOM 157 O GLU 20 9.133 1.263 -6.307 1.00 0.00 ATOM 158 C GLU 20 9.401 0.810 -5.214 1.00 0.00 ATOM 159 N TRP 21 8.981 1.381 -4.103 1.00 0.00 ATOM 160 CA TRP 21 8.148 2.555 -4.132 1.00 0.00 ATOM 161 CB TRP 21 7.242 2.598 -2.901 1.00 0.00 ATOM 162 CG TRP 21 6.268 3.738 -2.912 1.00 0.00 ATOM 163 CD1 TRP 21 5.045 3.765 -3.517 1.00 0.00 ATOM 164 CD2 TRP 21 6.438 5.017 -2.291 1.00 0.00 ATOM 165 CE2 TRP 21 5.277 5.769 -2.561 1.00 0.00 ATOM 166 CE3 TRP 21 7.457 5.603 -1.534 1.00 0.00 ATOM 167 NE1 TRP 21 4.441 4.979 -3.312 1.00 0.00 ATOM 168 CZ2 TRP 21 5.106 7.074 -2.100 1.00 0.00 ATOM 169 CZ3 TRP 21 7.284 6.896 -1.080 1.00 0.00 ATOM 170 CH2 TRP 21 6.120 7.619 -1.363 1.00 0.00 ATOM 171 O TRP 21 8.832 4.689 -4.946 1.00 0.00 ATOM 172 C TRP 21 9.027 3.797 -4.146 1.00 0.00 ATOM 173 N TRP 22 10.018 3.855 -3.274 1.00 0.00 ATOM 174 CA TRP 22 10.838 5.039 -3.215 1.00 0.00 ATOM 175 CB TRP 22 10.052 6.205 -2.614 1.00 0.00 ATOM 176 CG TRP 22 10.773 7.516 -2.688 1.00 0.00 ATOM 177 CD1 TRP 22 11.397 8.166 -1.660 1.00 0.00 ATOM 178 CD2 TRP 22 10.947 8.337 -3.848 1.00 0.00 ATOM 179 CE2 TRP 22 11.685 9.469 -3.452 1.00 0.00 ATOM 180 CE3 TRP 22 10.548 8.226 -5.184 1.00 0.00 ATOM 181 NE1 TRP 22 11.949 9.342 -2.111 1.00 0.00 ATOM 182 CZ2 TRP 22 12.034 10.483 -4.343 1.00 0.00 ATOM 183 CZ3 TRP 22 10.897 9.232 -6.064 1.00 0.00 ATOM 184 CH2 TRP 22 11.631 10.348 -5.644 1.00 0.00 ATOM 185 O TRP 22 12.508 3.667 -2.232 1.00 0.00 ATOM 186 C TRP 22 12.061 4.799 -2.361 1.00 0.00 ATOM 187 N GLY 23 12.595 5.874 -1.780 1.00 0.00 ATOM 188 CA GLY 23 13.764 5.804 -0.920 1.00 0.00 ATOM 189 O GLY 23 12.497 6.260 1.084 1.00 0.00 ATOM 190 C GLY 23 13.339 5.550 0.521 1.00 0.00 ATOM 191 N GLY 24 13.927 4.521 1.125 1.00 0.00 ATOM 192 CA GLY 24 13.570 4.189 2.500 1.00 0.00 ATOM 193 O GLY 24 14.271 5.099 4.605 1.00 0.00 ATOM 194 C GLY 24 14.614 4.670 3.500 1.00 0.00 ATOM 195 N ARG 25 15.884 4.606 3.117 1.00 0.00 ATOM 196 CA ARG 25 16.928 5.075 4.006 1.00 0.00 ATOM 197 CB ARG 25 16.500 6.371 4.696 1.00 0.00 ATOM 198 CG ARG 25 16.324 7.549 3.753 1.00 0.00 ATOM 199 CD ARG 25 15.880 8.796 4.501 1.00 0.00 ATOM 200 NE ARG 25 15.688 9.934 3.606 1.00 0.00 ATOM 201 CZ ARG 25 15.215 11.114 3.988 1.00 0.00 ATOM 202 NH1 ARG 25 15.074 12.091 3.103 1.00 0.00 ATOM 203 NH2 ARG 25 14.881 11.316 5.255 1.00 0.00 ATOM 204 O ARG 25 16.998 2.976 5.224 1.00 0.00 ATOM 205 C ARG 25 17.354 4.156 5.143 1.00 0.00 ATOM 206 N GLN 26 18.161 4.720 6.032 1.00 0.00 ATOM 207 CA GLN 26 18.682 3.999 7.189 1.00 0.00 ATOM 208 CB GLN 26 19.946 4.677 7.718 1.00 0.00 ATOM 209 CG GLN 26 20.604 3.944 8.874 1.00 0.00 ATOM 210 CD GLN 26 21.888 4.610 9.331 1.00 0.00 ATOM 211 OE1 GLN 26 22.291 5.639 8.789 1.00 0.00 ATOM 212 NE2 GLN 26 22.537 4.020 10.329 1.00 0.00 ATOM 213 O GLN 26 17.069 5.024 8.626 1.00 0.00 ATOM 214 C GLN 26 17.629 3.984 8.286 1.00 0.00 ATOM 215 N LEU 27 17.340 2.819 8.846 1.00 0.00 ATOM 216 CA LEU 27 16.374 2.702 9.919 1.00 0.00 ATOM 217 CB LEU 27 15.146 1.901 9.447 1.00 0.00 ATOM 218 CG LEU 27 14.101 2.543 8.518 1.00 0.00 ATOM 219 CD1 LEU 27 14.729 2.986 7.230 1.00 0.00 ATOM 220 CD2 LEU 27 12.987 1.543 8.221 1.00 0.00 ATOM 221 O LEU 27 18.101 1.307 10.819 1.00 0.00 ATOM 222 C LEU 27 17.064 1.933 11.033 1.00 0.00 ATOM 223 N LYS 28 16.503 1.997 12.222 1.00 0.00 ATOM 224 CA LYS 28 17.070 1.273 13.361 1.00 0.00 ATOM 225 CB LYS 28 17.735 2.246 14.337 1.00 0.00 ATOM 226 CG LYS 28 18.927 2.989 13.761 1.00 0.00 ATOM 227 CD LYS 28 19.545 3.924 14.785 1.00 0.00 ATOM 228 CE LYS 28 20.738 4.666 14.208 1.00 0.00 ATOM 229 NZ LYS 28 21.347 5.597 15.198 1.00 0.00 ATOM 230 O LYS 28 14.738 0.870 13.952 1.00 0.00 ATOM 231 C LYS 28 15.937 0.514 14.090 1.00 0.00 ATOM 232 N GLU 29 16.366 -0.510 14.824 1.00 0.00 ATOM 233 CA GLU 29 15.449 -1.288 15.660 1.00 0.00 ATOM 234 CB GLU 29 16.230 -2.126 16.676 1.00 0.00 ATOM 235 CG GLU 29 17.044 -3.250 16.060 1.00 0.00 ATOM 236 CD GLU 29 17.845 -4.023 17.088 1.00 0.00 ATOM 237 OE1 GLU 29 17.801 -3.647 18.278 1.00 0.00 ATOM 238 OE2 GLU 29 18.515 -5.005 16.706 1.00 0.00 ATOM 239 O GLU 29 13.348 -0.798 16.724 1.00 0.00 ATOM 240 C GLU 29 14.485 -0.406 16.442 1.00 0.00 ATOM 241 N LYS 30 14.924 0.784 16.804 1.00 0.00 ATOM 242 CA LYS 30 14.051 1.668 17.576 1.00 0.00 ATOM 243 CB LYS 30 14.855 2.814 18.192 1.00 0.00 ATOM 244 CG LYS 30 14.035 3.755 19.059 1.00 0.00 ATOM 245 CD LYS 30 14.905 4.834 19.679 1.00 0.00 ATOM 246 CE LYS 30 14.081 5.784 20.533 1.00 0.00 ATOM 247 NZ LYS 30 14.922 6.841 21.158 1.00 0.00 ATOM 248 O LYS 30 11.797 2.308 17.100 1.00 0.00 ATOM 249 C LYS 30 12.960 2.278 16.719 1.00 0.00 ATOM 250 N LEU 31 13.357 2.787 15.567 1.00 0.00 ATOM 251 CA LEU 31 12.365 3.400 14.647 1.00 0.00 ATOM 252 CB LEU 31 13.042 4.307 13.646 1.00 0.00 ATOM 253 CG LEU 31 13.231 5.787 14.086 1.00 0.00 ATOM 254 CD1 LEU 31 14.234 5.899 15.225 1.00 0.00 ATOM 255 CD2 LEU 31 13.528 6.662 12.890 1.00 0.00 ATOM 256 O LEU 31 10.270 2.466 14.170 1.00 0.00 ATOM 257 C LEU 31 11.486 2.330 14.030 1.00 0.00 ATOM 258 N PRO 32 11.975 1.297 13.366 1.00 0.00 ATOM 259 CA PRO 32 11.081 0.261 12.849 1.00 0.00 ATOM 260 CB PRO 32 11.928 -0.758 12.105 1.00 0.00 ATOM 261 CG PRO 32 13.339 -0.160 12.033 1.00 0.00 ATOM 262 CD PRO 32 13.379 1.044 12.980 1.00 0.00 ATOM 263 O PRO 32 9.016 -0.595 13.634 1.00 0.00 ATOM 264 C PRO 32 10.179 -0.341 13.905 1.00 0.00 ATOM 265 N ARG 33 10.671 -0.622 15.114 1.00 0.00 ATOM 266 CA ARG 33 9.819 -1.175 16.172 1.00 0.00 ATOM 267 CB ARG 33 10.646 -1.462 17.427 1.00 0.00 ATOM 268 CG ARG 33 11.604 -2.633 17.286 1.00 0.00 ATOM 269 CD ARG 33 12.406 -2.849 18.559 1.00 0.00 ATOM 270 NE ARG 33 13.347 -3.959 18.432 1.00 0.00 ATOM 271 CZ ARG 33 14.230 -4.300 19.366 1.00 0.00 ATOM 272 NH1 ARG 33 15.046 -5.325 19.164 1.00 0.00 ATOM 273 NH2 ARG 33 14.294 -3.615 20.499 1.00 0.00 ATOM 274 O ARG 33 7.592 -0.575 16.870 1.00 0.00 ATOM 275 C ARG 33 8.711 -0.184 16.537 1.00 0.00 ATOM 276 N LEU 34 9.031 1.101 16.498 1.00 0.00 ATOM 277 CA LEU 34 8.036 2.119 16.793 1.00 0.00 ATOM 278 CB LEU 34 8.700 3.489 16.942 1.00 0.00 ATOM 279 CG LEU 34 9.564 3.693 18.190 1.00 0.00 ATOM 280 CD1 LEU 34 10.260 5.043 18.146 1.00 0.00 ATOM 281 CD2 LEU 34 8.711 3.639 19.448 1.00 0.00 ATOM 282 O LEU 34 5.869 2.139 15.790 1.00 0.00 ATOM 283 C LEU 34 7.078 2.099 15.609 1.00 0.00 ATOM 284 N PHE 35 7.614 2.047 14.392 1.00 0.00 ATOM 285 CA PHE 35 6.783 1.997 13.192 1.00 0.00 ATOM 286 CB PHE 35 7.654 1.259 12.027 1.00 0.00 ATOM 287 CG PHE 35 7.213 1.426 10.598 1.00 0.00 ATOM 288 CD1 PHE 35 7.278 2.665 9.975 1.00 0.00 ATOM 289 CD2 PHE 35 6.720 0.348 9.884 1.00 0.00 ATOM 290 CE1 PHE 35 6.853 2.824 8.661 1.00 0.00 ATOM 291 CE2 PHE 35 6.292 0.499 8.568 1.00 0.00 ATOM 292 CZ PHE 35 6.359 1.739 7.959 1.00 0.00 ATOM 293 O PHE 35 4.744 0.757 12.898 1.00 0.00 ATOM 294 C PHE 35 5.944 0.721 13.200 1.00 0.00 ATOM 295 N PHE 36 6.550 -0.429 13.531 1.00 0.00 ATOM 296 CA PHE 36 5.812 -1.691 13.552 1.00 0.00 ATOM 297 CB PHE 36 6.791 -2.865 13.567 1.00 0.00 ATOM 298 CG PHE 36 7.698 -2.906 12.352 1.00 0.00 ATOM 299 CD1 PHE 36 8.948 -2.270 12.347 1.00 0.00 ATOM 300 CD2 PHE 36 7.282 -3.581 11.205 1.00 0.00 ATOM 301 CE1 PHE 36 9.774 -2.326 11.191 1.00 0.00 ATOM 302 CE2 PHE 36 8.086 -3.637 10.063 1.00 0.00 ATOM 303 CZ PHE 36 9.345 -3.004 10.056 1.00 0.00 ATOM 304 O PHE 36 3.713 -2.231 14.571 1.00 0.00 ATOM 305 C PHE 36 4.846 -1.763 14.722 1.00 0.00 ATOM 306 N GLU 37 5.309 -1.313 15.893 1.00 0.00 ATOM 307 CA GLU 37 4.463 -1.283 17.075 1.00 0.00 ATOM 308 CB GLU 37 5.148 -0.529 18.218 1.00 0.00 ATOM 309 CG GLU 37 4.317 -0.551 19.481 1.00 0.00 ATOM 310 CD GLU 37 4.840 0.350 20.585 1.00 0.00 ATOM 311 OE1 GLU 37 6.060 0.380 20.840 1.00 0.00 ATOM 312 OE2 GLU 37 4.002 1.012 21.219 1.00 0.00 ATOM 313 O GLU 37 2.054 -1.355 17.224 1.00 0.00 ATOM 314 C GLU 37 3.048 -0.711 16.868 1.00 0.00 ATOM 315 N HIS 38 2.928 0.478 16.296 1.00 0.00 ATOM 316 CA HIS 38 1.632 1.106 16.091 1.00 0.00 ATOM 317 CB HIS 38 1.469 2.316 17.027 1.00 0.00 ATOM 318 CG HIS 38 0.982 1.929 18.390 1.00 0.00 ATOM 319 CD2 HIS 38 1.643 1.862 19.573 1.00 0.00 ATOM 320 ND1 HIS 38 -0.282 1.430 18.642 1.00 0.00 ATOM 321 CE1 HIS 38 -0.343 1.064 19.923 1.00 0.00 ATOM 322 NE2 HIS 38 0.799 1.309 20.526 1.00 0.00 ATOM 323 O HIS 38 0.425 2.308 14.392 1.00 0.00 ATOM 324 C HIS 38 1.298 1.472 14.639 1.00 0.00 ATOM 325 N PHE 39 1.986 0.863 13.674 1.00 0.00 ATOM 326 CA PHE 39 1.682 1.136 12.264 1.00 0.00 ATOM 327 CB PHE 39 2.419 1.234 11.267 1.00 0.00 ATOM 328 CG PHE 39 2.775 2.706 11.172 1.00 0.00 ATOM 329 CD1 PHE 39 2.213 3.638 12.047 1.00 0.00 ATOM 330 CD2 PHE 39 3.657 3.159 10.192 1.00 0.00 ATOM 331 CE1 PHE 39 2.522 4.996 11.944 1.00 0.00 ATOM 332 CE2 PHE 39 3.973 4.524 10.077 1.00 0.00 ATOM 333 CZ PHE 39 3.405 5.442 10.956 1.00 0.00 ATOM 334 O PHE 39 0.234 -0.797 12.273 1.00 0.00 ATOM 335 C PHE 39 0.392 0.394 11.928 1.00 0.00 ATOM 336 N GLN 40 -0.517 1.119 11.303 1.00 0.00 ATOM 337 CA GLN 40 -1.817 0.520 10.932 1.00 0.00 ATOM 338 CB GLN 40 -2.786 1.566 10.390 1.00 0.00 ATOM 339 CG GLN 40 -3.216 2.510 11.504 1.00 0.00 ATOM 340 CD GLN 40 -3.986 3.687 10.984 1.00 0.00 ATOM 341 OE1 GLN 40 -3.902 4.079 9.833 1.00 0.00 ATOM 342 NE2 GLN 40 -4.770 4.267 11.884 1.00 0.00 ATOM 343 O GLN 40 -2.548 -1.577 10.082 1.00 0.00 ATOM 344 C GLN 40 -1.730 -0.653 9.965 1.00 0.00 ATOM 345 N ASP 41 -0.943 -1.378 9.031 1.00 0.00 ATOM 346 CA ASP 41 0.175 -1.790 8.160 1.00 0.00 ATOM 347 CB ASP 41 1.502 -1.371 8.799 1.00 0.00 ATOM 348 CG ASP 41 2.704 -1.850 7.993 1.00 0.00 ATOM 349 OD1 ASP 41 2.540 -2.502 6.932 1.00 0.00 ATOM 350 OD2 ASP 41 3.828 -1.569 8.440 1.00 0.00 ATOM 351 O ASP 41 0.672 -3.996 8.820 1.00 0.00 ATOM 352 C ASP 41 0.257 -3.256 7.952 1.00 0.00 ATOM 353 N THR 42 -0.126 -3.659 6.755 1.00 0.00 ATOM 354 CA THR 42 -0.180 -5.057 6.407 1.00 0.00 ATOM 355 CB THR 42 -1.454 -5.389 5.606 1.00 0.00 ATOM 356 CG2 THR 42 -2.695 -5.058 6.416 1.00 0.00 ATOM 357 OG1 THR 42 -1.470 -4.626 4.394 1.00 0.00 ATOM 358 O THR 42 1.533 -4.800 4.816 1.00 0.00 ATOM 359 C THR 42 0.963 -5.546 5.566 1.00 0.00 ATOM 360 N SER 43 1.319 -6.810 5.732 1.00 0.00 ATOM 361 CA SER 43 2.281 -7.412 4.846 1.00 0.00 ATOM 362 CB SER 43 3.584 -7.710 5.590 1.00 0.00 ATOM 363 OG SER 43 4.186 -6.517 6.062 1.00 0.00 ATOM 364 O SER 43 0.903 -9.361 5.172 1.00 0.00 ATOM 365 C SER 43 1.592 -8.686 4.375 1.00 0.00 ATOM 366 N PHE 44 1.727 -8.991 3.078 1.00 0.00 ATOM 367 CA PHE 44 1.220 -10.236 2.570 1.00 0.00 ATOM 368 CB PHE 44 0.621 -10.042 1.176 1.00 0.00 ATOM 369 CG PHE 44 0.073 -11.303 0.572 1.00 0.00 ATOM 370 CD1 PHE 44 -1.154 -11.804 0.969 1.00 0.00 ATOM 371 CD2 PHE 44 0.784 -11.990 -0.395 1.00 0.00 ATOM 372 CE1 PHE 44 -1.658 -12.964 0.414 1.00 0.00 ATOM 373 CE2 PHE 44 0.282 -13.150 -0.953 1.00 0.00 ATOM 374 CZ PHE 44 -0.934 -13.637 -0.552 1.00 0.00 ATOM 375 O PHE 44 3.545 -10.611 2.059 1.00 0.00 ATOM 376 C PHE 44 2.502 -11.072 2.573 1.00 0.00 ATOM 377 N ILE 45 2.446 -12.269 3.183 1.00 0.00 ATOM 378 CA ILE 45 3.607 -13.134 3.285 1.00 0.00 ATOM 379 CB ILE 45 3.912 -13.501 4.749 1.00 0.00 ATOM 380 CG1 ILE 45 4.220 -12.241 5.560 1.00 0.00 ATOM 381 CG2 ILE 45 5.112 -14.429 4.825 1.00 0.00 ATOM 382 CD1 ILE 45 4.289 -12.479 7.053 1.00 0.00 ATOM 383 O ILE 45 2.475 -15.132 2.621 1.00 0.00 ATOM 384 C ILE 45 3.514 -14.455 2.567 1.00 0.00 ATOM 385 N THR 46 4.608 -14.830 1.912 1.00 0.00 ATOM 386 CA THR 46 4.660 -16.138 1.265 1.00 0.00 ATOM 387 CB THR 46 5.797 -16.210 0.229 1.00 0.00 ATOM 388 CG2 THR 46 5.827 -17.579 -0.435 1.00 0.00 ATOM 389 OG1 THR 46 5.597 -15.211 -0.778 1.00 0.00 ATOM 390 O THR 46 5.950 -17.127 3.059 1.00 0.00 ATOM 391 C THR 46 4.900 -17.139 2.417 1.00 0.00 ATOM 392 N SER 47 3.906 -17.974 2.680 1.00 0.00 ATOM 393 CA SER 47 3.981 -18.946 3.741 1.00 0.00 ATOM 394 CB SER 47 2.701 -19.785 3.791 1.00 0.00 ATOM 395 OG SER 47 2.564 -20.577 2.625 1.00 0.00 ATOM 396 O SER 47 5.721 -20.417 4.534 1.00 0.00 ATOM 397 C SER 47 5.160 -19.918 3.565 1.00 0.00 ATOM 398 N GLU 48 5.526 -20.166 2.319 1.00 0.00 ATOM 399 CA GLU 48 6.600 -21.089 1.959 1.00 0.00 ATOM 400 CB GLU 48 6.894 -21.015 0.460 1.00 0.00 ATOM 401 CG GLU 48 5.795 -21.594 -0.417 1.00 0.00 ATOM 402 CD GLU 48 6.095 -21.456 -1.896 1.00 0.00 ATOM 403 OE1 GLU 48 7.140 -20.861 -2.237 1.00 0.00 ATOM 404 OE2 GLU 48 5.286 -21.941 -2.715 1.00 0.00 ATOM 405 O GLU 48 8.638 -21.816 2.979 1.00 0.00 ATOM 406 C GLU 48 7.945 -20.874 2.635 1.00 0.00 ATOM 407 N HIS 49 8.317 -19.612 2.783 1.00 0.00 ATOM 408 CA HIS 49 9.598 -19.244 3.340 1.00 0.00 ATOM 409 CB HIS 49 10.589 -18.904 2.226 1.00 0.00 ATOM 410 CG HIS 49 10.824 -20.023 1.262 1.00 0.00 ATOM 411 CD2 HIS 49 11.646 -21.224 1.244 1.00 0.00 ATOM 412 ND1 HIS 49 10.188 -20.101 0.041 1.00 0.00 ATOM 413 CE1 HIS 49 10.598 -21.212 -0.598 1.00 0.00 ATOM 414 NE2 HIS 49 11.473 -21.891 0.120 1.00 0.00 ATOM 415 O HIS 49 10.397 -17.369 4.554 1.00 0.00 ATOM 416 C HIS 49 9.425 -18.035 4.234 1.00 0.00 ATOM 417 N ASN 50 8.192 -17.766 4.641 1.00 0.00 ATOM 418 CA ASN 50 7.912 -16.583 5.445 1.00 0.00 ATOM 419 CB ASN 50 8.411 -16.778 6.878 1.00 0.00 ATOM 420 CG ASN 50 7.661 -17.873 7.611 1.00 0.00 ATOM 421 ND2 ASN 50 8.366 -18.948 7.949 1.00 0.00 ATOM 422 OD1 ASN 50 6.464 -17.754 7.870 1.00 0.00 ATOM 423 O ASN 50 9.256 -14.568 5.627 1.00 0.00 ATOM 424 C ASN 50 8.599 -15.307 4.883 1.00 0.00 ATOM 425 N SER 51 8.440 -15.054 3.576 1.00 0.00 ATOM 426 CA SER 51 9.033 -13.878 2.951 1.00 0.00 ATOM 427 CB SER 51 9.794 -14.269 1.684 1.00 0.00 ATOM 428 OG SER 51 10.901 -15.098 1.990 1.00 0.00 ATOM 429 O SER 51 6.880 -13.322 2.120 1.00 0.00 ATOM 430 C SER 51 7.933 -12.914 2.594 1.00 0.00 ATOM 431 N MET 52 8.183 -11.639 2.863 1.00 0.00 ATOM 432 CA MET 52 7.221 -10.569 2.616 1.00 0.00 ATOM 433 CB MET 52 7.699 -9.262 3.251 1.00 0.00 ATOM 434 CG MET 52 6.708 -8.116 3.131 1.00 0.00 ATOM 435 SD MET 52 7.302 -6.599 3.904 1.00 0.00 ATOM 436 CE MET 52 7.238 -7.052 5.635 1.00 0.00 ATOM 437 O MET 52 8.024 -10.076 0.443 1.00 0.00 ATOM 438 C MET 52 7.070 -10.369 1.128 1.00 0.00 ATOM 439 N THR 53 5.857 -10.584 0.629 1.00 0.00 ATOM 440 CA THR 53 5.621 -10.454 -0.798 1.00 0.00 ATOM 441 CB THR 53 4.611 -11.502 -1.303 1.00 0.00 ATOM 442 CG2 THR 53 5.118 -12.908 -1.026 1.00 0.00 ATOM 443 OG1 THR 53 3.357 -11.320 -0.634 1.00 0.00 ATOM 444 O THR 53 5.160 -8.670 -2.299 1.00 0.00 ATOM 445 C THR 53 5.061 -9.071 -1.154 1.00 0.00 ATOM 446 N GLY 54 4.533 -8.346 -0.158 1.00 0.00 ATOM 447 CA GLY 54 3.915 -7.045 -0.382 1.00 0.00 ATOM 448 O GLY 54 3.273 -7.034 1.904 1.00 0.00 ATOM 449 C GLY 54 3.486 -6.378 0.911 1.00 0.00 ATOM 450 N PHE 55 3.384 -5.056 0.895 1.00 0.00 ATOM 451 CA PHE 55 2.953 -4.316 2.063 1.00 0.00 ATOM 452 CB PHE 55 4.135 -3.867 2.936 1.00 0.00 ATOM 453 CG PHE 55 4.907 -2.657 2.428 1.00 0.00 ATOM 454 CD1 PHE 55 5.612 -2.703 1.229 1.00 0.00 ATOM 455 CD2 PHE 55 4.942 -1.477 3.176 1.00 0.00 ATOM 456 CE1 PHE 55 6.335 -1.595 0.779 1.00 0.00 ATOM 457 CE2 PHE 55 5.666 -0.359 2.738 1.00 0.00 ATOM 458 CZ PHE 55 6.362 -0.417 1.534 1.00 0.00 ATOM 459 O PHE 55 2.181 -2.731 0.425 1.00 0.00 ATOM 460 C PHE 55 2.075 -3.182 1.570 1.00 0.00 ATOM 461 N LEU 56 1.195 -2.748 2.446 1.00 0.00 ATOM 462 CA LEU 56 0.274 -1.668 2.168 1.00 0.00 ATOM 463 CB LEU 56 -0.861 -2.154 1.266 1.00 0.00 ATOM 464 CG LEU 56 -1.945 -1.128 0.926 1.00 0.00 ATOM 465 CD1 LEU 56 -1.359 0.031 0.135 1.00 0.00 ATOM 466 CD2 LEU 56 -3.045 -1.763 0.091 1.00 0.00 ATOM 467 O LEU 56 -0.241 -2.024 4.464 1.00 0.00 ATOM 468 C LEU 56 -0.254 -1.234 3.532 1.00 0.00 ATOM 469 N ILE 57 -0.704 0.013 3.663 1.00 0.00 ATOM 470 CA ILE 57 -1.238 0.531 4.937 1.00 0.00 ATOM 471 CB ILE 57 -0.242 1.509 5.632 1.00 0.00 ATOM 472 CG1 ILE 57 -0.047 2.796 4.819 1.00 0.00 ATOM 473 CG2 ILE 57 1.082 0.831 5.757 1.00 0.00 ATOM 474 CD1 ILE 57 0.824 3.826 5.569 1.00 0.00 ATOM 475 O ILE 57 -2.840 1.731 3.579 1.00 0.00 ATOM 476 C ILE 57 -2.560 1.262 4.691 1.00 0.00 ATOM 477 N GLY 58 -3.408 1.320 5.705 1.00 0.00 ATOM 478 CA GLY 58 -4.606 2.119 5.570 1.00 0.00 ATOM 479 O GLY 58 -4.712 2.242 7.955 1.00 0.00 ATOM 480 C GLY 58 -4.716 2.840 6.893 1.00 0.00 ATOM 481 N PHE 59 -4.720 4.156 6.805 1.00 0.00 ATOM 482 CA PHE 59 -4.785 5.020 7.930 1.00 0.00 ATOM 483 CB PHE 59 -3.876 6.234 7.727 1.00 0.00 ATOM 484 CG PHE 59 -3.894 7.203 8.875 1.00 0.00 ATOM 485 CD1 PHE 59 -3.189 6.938 10.036 1.00 0.00 ATOM 486 CD2 PHE 59 -4.616 8.381 8.794 1.00 0.00 ATOM 487 CE1 PHE 59 -3.206 7.828 11.091 1.00 0.00 ATOM 488 CE2 PHE 59 -4.633 9.271 9.848 1.00 0.00 ATOM 489 CZ PHE 59 -3.932 9.002 10.995 1.00 0.00 ATOM 490 O PHE 59 -6.867 5.923 7.170 1.00 0.00 ATOM 491 C PHE 59 -6.204 5.505 8.126 1.00 0.00 ATOM 492 N GLN 60 -6.672 5.459 9.362 1.00 0.00 ATOM 493 CA GLN 60 -8.031 5.872 9.677 1.00 0.00 ATOM 494 CB GLN 60 -8.843 4.684 10.198 1.00 0.00 ATOM 495 CG GLN 60 -10.284 5.021 10.547 1.00 0.00 ATOM 496 CD GLN 60 -11.075 3.809 10.996 1.00 0.00 ATOM 497 OE1 GLN 60 -10.544 2.701 11.064 1.00 0.00 ATOM 498 NE2 GLN 60 -12.350 4.017 11.303 1.00 0.00 ATOM 499 O GLN 60 -7.488 6.749 11.836 1.00 0.00 ATOM 500 C GLN 60 -8.025 6.953 10.743 1.00 0.00 ATOM 501 N SER 61 -8.613 8.101 10.412 1.00 0.00 ATOM 502 CA SER 61 -8.693 9.240 11.331 1.00 0.00 ATOM 503 CB SER 61 -8.642 10.558 10.556 1.00 0.00 ATOM 504 OG SER 61 -7.396 10.716 9.900 1.00 0.00 ATOM 505 O SER 61 -11.048 8.875 11.600 1.00 0.00 ATOM 506 C SER 61 -9.990 9.211 12.132 1.00 0.00 ATOM 507 N GLN 62 -9.893 9.579 13.406 1.00 0.00 ATOM 508 CA GLN 62 -11.053 9.600 14.296 1.00 0.00 ATOM 509 CB GLN 62 -10.608 9.741 15.754 1.00 0.00 ATOM 510 CG GLN 62 -9.836 8.544 16.284 1.00 0.00 ATOM 511 CD GLN 62 -9.356 8.747 17.708 1.00 0.00 ATOM 512 OE1 GLN 62 -9.576 9.802 18.303 1.00 0.00 ATOM 513 NE2 GLN 62 -8.695 7.736 18.258 1.00 0.00 ATOM 514 O GLN 62 -13.144 10.780 14.408 1.00 0.00 ATOM 515 C GLN 62 -11.992 10.767 13.978 1.00 0.00 ATOM 516 N SER 63 -11.516 11.762 13.229 1.00 0.00 ATOM 517 CA SER 63 -12.303 12.935 12.874 1.00 0.00 ATOM 518 CB SER 63 -11.542 13.805 11.870 1.00 0.00 ATOM 519 OG SER 63 -12.301 14.947 11.508 1.00 0.00 ATOM 520 O SER 63 -14.760 13.108 12.725 1.00 0.00 ATOM 521 C SER 63 -13.689 12.710 12.217 1.00 0.00 ATOM 522 N ASP 64 -13.658 11.968 11.125 1.00 0.00 ATOM 523 CA ASP 64 -14.868 11.726 10.348 1.00 0.00 ATOM 524 CB ASP 64 -14.588 11.905 8.853 1.00 0.00 ATOM 525 CG ASP 64 -14.200 13.327 8.499 1.00 0.00 ATOM 526 OD1 ASP 64 -15.043 14.231 8.669 1.00 0.00 ATOM 527 OD2 ASP 64 -13.053 13.537 8.051 1.00 0.00 ATOM 528 O ASP 64 -14.671 9.356 10.749 1.00 0.00 ATOM 529 C ASP 64 -15.436 10.305 10.534 1.00 0.00 ATOM 530 N PRO 65 -17.474 10.710 9.451 1.00 0.00 ATOM 531 CA PRO 65 -18.129 9.402 9.231 1.00 0.00 ATOM 532 CB PRO 65 -19.286 9.722 8.281 1.00 0.00 ATOM 533 CG PRO 65 -18.797 10.877 7.475 1.00 0.00 ATOM 534 CD PRO 65 -18.079 11.783 8.436 1.00 0.00 ATOM 535 O PRO 65 -16.236 8.848 7.845 1.00 0.00 ATOM 536 C PRO 65 -17.126 8.444 8.616 1.00 0.00 ATOM 537 N GLU 66 -15.770 8.419 9.555 1.00 0.00 ATOM 538 CA GLU 66 -14.440 7.876 9.423 1.00 0.00 ATOM 539 CB GLU 66 -14.338 6.506 10.081 1.00 0.00 ATOM 540 CG GLU 66 -13.237 6.443 11.111 1.00 0.00 ATOM 541 CD GLU 66 -13.651 7.048 12.428 1.00 0.00 ATOM 542 OE1 GLU 66 -14.318 6.336 13.206 1.00 0.00 ATOM 543 OE2 GLU 66 -13.331 8.232 12.683 1.00 0.00 ATOM 544 O GLU 66 -14.864 7.452 7.074 1.00 0.00 ATOM 545 C GLU 66 -14.063 7.840 7.936 1.00 0.00 ATOM 546 N THR 67 -12.839 8.255 7.636 1.00 0.00 ATOM 547 CA THR 67 -12.384 8.176 6.273 1.00 0.00 ATOM 548 CB THR 67 -12.155 9.576 5.672 1.00 0.00 ATOM 549 CG2 THR 67 -11.680 9.464 4.232 1.00 0.00 ATOM 550 OG1 THR 67 -13.381 10.317 5.701 1.00 0.00 ATOM 551 O THR 67 -10.150 7.720 7.055 1.00 0.00 ATOM 552 C THR 67 -11.071 7.399 6.289 1.00 0.00 ATOM 553 N ALA 68 -10.988 6.393 5.451 1.00 0.00 ATOM 554 CA ALA 68 -9.760 5.618 5.353 1.00 0.00 ATOM 555 CB ALA 68 -10.073 4.171 5.000 1.00 0.00 ATOM 556 O ALA 68 -9.237 6.729 3.245 1.00 0.00 ATOM 557 C ALA 68 -8.807 6.171 4.264 1.00 0.00 ATOM 558 N TYR 69 -7.510 6.036 4.483 1.00 0.00 ATOM 559 CA TYR 69 -6.543 6.535 3.535 1.00 0.00 ATOM 560 CB TYR 69 -5.794 7.736 4.114 1.00 0.00 ATOM 561 CG TYR 69 -6.685 8.915 4.436 1.00 0.00 ATOM 562 CD1 TYR 69 -7.138 9.133 5.732 1.00 0.00 ATOM 563 CD2 TYR 69 -7.071 9.808 3.444 1.00 0.00 ATOM 564 CE1 TYR 69 -7.952 10.207 6.034 1.00 0.00 ATOM 565 CE2 TYR 69 -7.884 10.887 3.728 1.00 0.00 ATOM 566 CZ TYR 69 -8.324 11.082 5.035 1.00 0.00 ATOM 567 OH TYR 69 -9.135 12.153 5.336 1.00 0.00 ATOM 568 O TYR 69 -4.733 5.035 4.064 1.00 0.00 ATOM 569 C TYR 69 -5.550 5.407 3.232 1.00 0.00 ATOM 570 N ILE 70 -5.621 4.859 2.037 1.00 0.00 ATOM 571 CA ILE 70 -4.672 3.809 1.683 1.00 0.00 ATOM 572 CB ILE 70 -5.186 2.959 0.504 1.00 0.00 ATOM 573 CG1 ILE 70 -6.496 2.264 0.881 1.00 0.00 ATOM 574 CG2 ILE 70 -4.164 1.896 0.131 1.00 0.00 ATOM 575 CD1 ILE 70 -7.196 1.609 -0.291 1.00 0.00 ATOM 576 O ILE 70 -3.311 5.284 0.424 1.00 0.00 ATOM 577 C ILE 70 -3.338 4.434 1.280 1.00 0.00 ATOM 578 N HIS 71 -2.252 4.026 1.925 1.00 0.00 ATOM 579 CA HIS 71 -0.922 4.583 1.681 1.00 0.00 ATOM 580 CB HIS 71 -0.465 5.424 2.874 1.00 0.00 ATOM 581 CG HIS 71 -1.330 6.617 3.138 1.00 0.00 ATOM 582 CD2 HIS 71 -1.463 7.584 4.218 1.00 0.00 ATOM 583 ND1 HIS 71 -2.292 7.050 2.251 1.00 0.00 ATOM 584 CE1 HIS 71 -2.901 8.135 2.762 1.00 0.00 ATOM 585 NE2 HIS 71 -2.410 8.460 3.942 1.00 0.00 ATOM 586 O HIS 71 -0.074 2.344 1.846 1.00 0.00 ATOM 587 C HIS 71 0.131 3.502 1.457 1.00 0.00 ATOM 588 N PHE 72 1.266 3.905 0.868 1.00 0.00 ATOM 589 CA PHE 72 2.430 3.042 0.662 1.00 0.00 ATOM 590 CB PHE 72 3.195 2.851 1.974 1.00 0.00 ATOM 591 CG PHE 72 3.751 4.125 2.541 1.00 0.00 ATOM 592 CD1 PHE 72 3.078 4.806 3.540 1.00 0.00 ATOM 593 CD2 PHE 72 4.948 4.643 2.076 1.00 0.00 ATOM 594 CE1 PHE 72 3.590 5.980 4.063 1.00 0.00 ATOM 595 CE2 PHE 72 5.459 5.816 2.599 1.00 0.00 ATOM 596 CZ PHE 72 4.786 6.482 3.587 1.00 0.00 ATOM 597 O PHE 72 2.661 0.639 0.798 1.00 0.00 ATOM 598 C PHE 72 2.255 1.619 0.156 1.00 0.00 ATOM 599 N SER 73 1.654 1.509 -1.018 1.00 0.00 ATOM 600 CA SER 73 1.422 0.214 -1.595 1.00 0.00 ATOM 601 CB SER 73 0.264 0.273 -2.595 1.00 0.00 ATOM 602 OG SER 73 0.090 -0.972 -3.247 1.00 0.00 ATOM 603 O SER 73 3.091 0.387 -3.177 1.00 0.00 ATOM 604 C SER 73 2.620 -0.281 -2.312 1.00 0.00 ATOM 605 N GLY 74 3.115 -1.461 -1.982 1.00 0.00 ATOM 606 CA GLY 74 4.284 -1.950 -2.701 1.00 0.00 ATOM 607 O GLY 74 4.120 -4.177 -1.762 1.00 0.00 ATOM 608 C GLY 74 4.256 -3.466 -2.782 1.00 0.00 ATOM 609 N VAL 75 4.343 -3.954 -4.007 1.00 0.00 ATOM 610 CA VAL 75 4.408 -5.366 -4.250 1.00 0.00 ATOM 611 CB VAL 75 3.586 -5.761 -5.490 1.00 0.00 ATOM 612 CG1 VAL 75 3.720 -7.252 -5.763 1.00 0.00 ATOM 613 CG2 VAL 75 2.114 -5.441 -5.279 1.00 0.00 ATOM 614 O VAL 75 6.586 -4.970 -5.214 1.00 0.00 ATOM 615 C VAL 75 5.899 -5.657 -4.465 1.00 0.00 ATOM 616 N HIS 76 6.417 -6.660 -3.772 1.00 0.00 ATOM 617 CA HIS 76 7.835 -6.978 -3.876 1.00 0.00 ATOM 618 CB HIS 76 8.198 -8.120 -2.925 1.00 0.00 ATOM 619 CG HIS 76 9.665 -8.413 -2.865 1.00 0.00 ATOM 620 CD2 HIS 76 10.557 -9.381 -3.487 1.00 0.00 ATOM 621 ND1 HIS 76 10.536 -7.688 -2.081 1.00 0.00 ATOM 622 CE1 HIS 76 11.778 -8.183 -2.235 1.00 0.00 ATOM 623 NE2 HIS 76 11.798 -9.198 -3.077 1.00 0.00 ATOM 624 O HIS 76 7.322 -7.973 -5.988 1.00 0.00 ATOM 625 C HIS 76 8.161 -7.397 -5.292 1.00 0.00 ATOM 626 N PRO 77 9.374 -7.093 -5.725 1.00 0.00 ATOM 627 CA PRO 77 9.791 -7.382 -7.095 1.00 0.00 ATOM 628 CB PRO 77 11.256 -6.943 -7.137 1.00 0.00 ATOM 629 CG PRO 77 11.357 -5.879 -6.096 1.00 0.00 ATOM 630 CD PRO 77 10.467 -6.318 -4.966 1.00 0.00 ATOM 631 O PRO 77 9.345 -9.084 -8.724 1.00 0.00 ATOM 632 C PRO 77 9.704 -8.829 -7.568 1.00 0.00 ATOM 633 N ASP 78 10.024 -9.781 -6.702 1.00 0.00 ATOM 634 CA ASP 78 9.949 -11.184 -7.135 1.00 0.00 ATOM 635 CB ASP 78 10.821 -12.068 -6.239 1.00 0.00 ATOM 636 CG ASP 78 12.303 -11.820 -6.440 1.00 0.00 ATOM 637 OD1 ASP 78 13.090 -12.775 -6.290 1.00 0.00 ATOM 638 OD2 ASP 78 12.675 -10.666 -6.744 1.00 0.00 ATOM 639 O ASP 78 8.260 -12.887 -7.380 1.00 0.00 ATOM 640 C ASP 78 8.516 -11.716 -7.069 1.00 0.00 ATOM 641 N PHE 79 7.585 -10.857 -6.664 1.00 0.00 ATOM 642 CA PHE 79 6.227 -11.301 -6.499 1.00 0.00 ATOM 643 CB PHE 79 5.757 -11.071 -5.061 1.00 0.00 ATOM 644 CG PHE 79 6.557 -11.823 -4.036 1.00 0.00 ATOM 645 CD1 PHE 79 7.577 -11.198 -3.339 1.00 0.00 ATOM 646 CD2 PHE 79 6.288 -13.154 -3.769 1.00 0.00 ATOM 647 CE1 PHE 79 8.311 -11.890 -2.395 1.00 0.00 ATOM 648 CE2 PHE 79 7.024 -13.845 -2.825 1.00 0.00 ATOM 649 CZ PHE 79 8.032 -13.219 -2.139 1.00 0.00 ATOM 650 O PHE 79 4.070 -10.766 -7.289 1.00 0.00 ATOM 651 C PHE 79 5.269 -10.593 -7.390 1.00 0.00 ATOM 652 N ARG 80 5.799 -9.785 -8.284 1.00 0.00 ATOM 653 CA ARG 80 4.939 -9.036 -9.176 1.00 0.00 ATOM 654 CB ARG 80 5.159 -8.058 -9.923 1.00 0.00 ATOM 655 CG ARG 80 4.510 -6.906 -9.157 1.00 0.00 ATOM 656 CD ARG 80 4.499 -5.605 -10.002 1.00 0.00 ATOM 657 NE ARG 80 5.780 -4.894 -9.954 1.00 0.00 ATOM 658 CZ ARG 80 6.103 -3.844 -9.174 1.00 0.00 ATOM 659 NH1 ARG 80 5.252 -3.259 -8.353 1.00 0.00 ATOM 660 NH2 ARG 80 7.371 -3.444 -9.234 1.00 0.00 ATOM 661 O ARG 80 4.630 -11.093 -10.313 1.00 0.00 ATOM 662 C ARG 80 4.214 -9.956 -10.093 1.00 0.00 ATOM 663 N LYS 81 3.121 -9.436 -10.621 1.00 0.00 ATOM 664 CA LYS 81 2.279 -10.168 -11.538 1.00 0.00 ATOM 665 CB LYS 81 3.098 -10.680 -12.724 1.00 0.00 ATOM 666 CG LYS 81 3.755 -9.583 -13.544 1.00 0.00 ATOM 667 CD LYS 81 4.538 -10.162 -14.712 1.00 0.00 ATOM 668 CE LYS 81 5.196 -9.064 -15.534 1.00 0.00 ATOM 669 NZ LYS 81 5.979 -9.617 -16.673 1.00 0.00 ATOM 670 O LYS 81 1.092 -12.158 -11.808 1.00 0.00 ATOM 671 C LYS 81 1.567 -11.391 -11.005 1.00 0.00 ATOM 672 N MET 82 1.485 -11.615 -9.698 1.00 0.00 ATOM 673 CA MET 82 0.794 -12.778 -9.193 1.00 0.00 ATOM 674 CB MET 82 1.506 -13.254 -7.943 1.00 0.00 ATOM 675 CG MET 82 2.955 -13.576 -8.254 1.00 0.00 ATOM 676 SD MET 82 3.602 -14.533 -6.998 1.00 0.00 ATOM 677 CE MET 82 2.787 -16.087 -7.314 1.00 0.00 ATOM 678 O MET 82 -1.204 -11.545 -8.748 1.00 0.00 ATOM 679 C MET 82 -0.695 -12.641 -8.965 1.00 0.00 ATOM 680 N GLN 83 -1.891 -11.112 -8.886 1.00 0.00 ATOM 681 CA GLN 83 -2.991 -10.654 -8.065 1.00 0.00 ATOM 682 CB GLN 83 -4.051 -11.749 -7.929 1.00 0.00 ATOM 683 CG GLN 83 -4.735 -12.117 -9.233 1.00 0.00 ATOM 684 CD GLN 83 -5.728 -13.252 -9.072 1.00 0.00 ATOM 685 OE1 GLN 83 -5.897 -13.790 -7.977 1.00 0.00 ATOM 686 NE2 GLN 83 -6.390 -13.618 -10.163 1.00 0.00 ATOM 687 O GLN 83 -3.465 -9.965 -5.867 1.00 0.00 ATOM 688 C GLN 83 -2.604 -10.261 -6.662 1.00 0.00 ATOM 689 N ILE 84 -1.310 -10.265 -6.345 1.00 0.00 ATOM 690 CA ILE 84 -0.888 -9.932 -4.999 1.00 0.00 ATOM 691 CB ILE 84 0.644 -10.028 -4.870 1.00 0.00 ATOM 692 CG1 ILE 84 1.139 -11.450 -5.043 1.00 0.00 ATOM 693 CG2 ILE 84 1.112 -9.428 -3.554 1.00 0.00 ATOM 694 CD1 ILE 84 2.612 -11.658 -5.208 1.00 0.00 ATOM 695 O ILE 84 -1.840 -8.281 -3.525 1.00 0.00 ATOM 696 C ILE 84 -1.382 -8.555 -4.615 1.00 0.00 ATOM 697 N GLY 85 -1.251 -7.626 -5.569 1.00 0.00 ATOM 698 CA GLY 85 -1.674 -6.227 -5.252 1.00 0.00 ATOM 699 O GLY 85 -3.694 -5.542 -4.128 1.00 0.00 ATOM 700 C GLY 85 -3.164 -6.149 -5.074 1.00 0.00 ATOM 701 N LYS 86 -3.964 -6.765 -5.946 1.00 0.00 ATOM 702 CA LYS 86 -5.419 -6.720 -5.780 1.00 0.00 ATOM 703 CB LYS 86 -5.999 -8.085 -6.514 1.00 0.00 ATOM 704 CG LYS 86 -7.345 -8.095 -7.231 1.00 0.00 ATOM 705 CD LYS 86 -7.582 -9.436 -7.910 1.00 0.00 ATOM 706 CE LYS 86 -8.884 -9.453 -8.663 1.00 0.00 ATOM 707 NZ LYS 86 -9.309 -10.826 -9.008 1.00 0.00 ATOM 708 O LYS 86 -6.827 -6.793 -3.803 1.00 0.00 ATOM 709 C LYS 86 -5.897 -7.286 -4.477 1.00 0.00 ATOM 710 N GLN 87 -5.301 -8.387 -4.051 1.00 0.00 ATOM 711 CA GLN 87 -5.658 -9.093 -2.812 1.00 0.00 ATOM 712 CB GLN 87 -5.037 -10.483 -2.706 1.00 0.00 ATOM 713 CG GLN 87 -5.712 -11.483 -3.620 1.00 0.00 ATOM 714 CD GLN 87 -4.839 -12.669 -3.919 1.00 0.00 ATOM 715 OE1 GLN 87 -3.676 -12.780 -3.512 1.00 0.00 ATOM 716 NE2 GLN 87 -5.422 -13.628 -4.644 1.00 0.00 ATOM 717 O GLN 87 -6.006 -8.395 -0.571 1.00 0.00 ATOM 718 C GLN 87 -5.258 -8.300 -1.559 1.00 0.00 ATOM 719 N LEU 88 -4.149 -7.601 -1.627 1.00 0.00 ATOM 720 CA LEU 88 -3.677 -6.750 -0.533 1.00 0.00 ATOM 721 CB LEU 88 -2.376 -6.013 -0.792 1.00 0.00 ATOM 722 CG LEU 88 -1.166 -6.900 -1.098 1.00 0.00 ATOM 723 CD1 LEU 88 0.077 -6.013 -1.333 1.00 0.00 ATOM 724 CD2 LEU 88 -0.892 -7.833 0.073 1.00 0.00 ATOM 725 O LEU 88 -5.037 -5.272 0.758 1.00 0.00 ATOM 726 C LEU 88 -4.684 -5.622 -0.357 1.00 0.00 ATOM 727 N TYR 89 -5.209 -4.784 -1.483 1.00 0.00 ATOM 728 CA TYR 89 -6.173 -3.703 -1.444 1.00 0.00 ATOM 729 CB TYR 89 -6.393 -3.129 -2.845 1.00 0.00 ATOM 730 CG TYR 89 -5.252 -2.269 -3.340 1.00 0.00 ATOM 731 CD1 TYR 89 -4.282 -2.791 -4.186 1.00 0.00 ATOM 732 CD2 TYR 89 -5.149 -0.938 -2.961 1.00 0.00 ATOM 733 CE1 TYR 89 -3.237 -2.014 -4.645 1.00 0.00 ATOM 734 CE2 TYR 89 -4.110 -0.143 -3.409 1.00 0.00 ATOM 735 CZ TYR 89 -3.150 -0.694 -4.257 1.00 0.00 ATOM 736 OH TYR 89 -2.109 0.084 -4.711 1.00 0.00 ATOM 737 O TYR 89 -8.072 -3.696 0.021 1.00 0.00 ATOM 738 C TYR 89 -7.489 -4.260 -0.905 1.00 0.00 ATOM 739 N ASP 90 -7.948 -5.372 -1.447 1.00 0.00 ATOM 740 CA ASP 90 -9.209 -5.942 -0.978 1.00 0.00 ATOM 741 CB ASP 90 -9.454 -7.306 -1.627 1.00 0.00 ATOM 742 CG ASP 90 -9.802 -7.199 -3.097 1.00 0.00 ATOM 743 OD1 ASP 90 -10.169 -8.229 -3.698 1.00 0.00 ATOM 744 OD2 ASP 90 -9.710 -6.082 -3.649 1.00 0.00 ATOM 745 O ASP 90 -10.217 -5.853 1.146 1.00 0.00 ATOM 746 C ASP 90 -9.220 -6.135 0.492 1.00 0.00 ATOM 747 N VAL 91 -8.117 -6.628 1.039 1.00 0.00 ATOM 748 CA VAL 91 -8.006 -6.807 2.485 1.00 0.00 ATOM 749 CB VAL 91 -6.655 -7.454 2.864 1.00 0.00 ATOM 750 CG1 VAL 91 -6.502 -7.509 4.378 1.00 0.00 ATOM 751 CG2 VAL 91 -6.573 -8.863 2.278 1.00 0.00 ATOM 752 O VAL 91 -8.839 -5.332 4.193 1.00 0.00 ATOM 753 C VAL 91 -8.142 -5.455 3.184 1.00 0.00 ATOM 754 N PHE 92 -7.485 -4.450 2.636 1.00 0.00 ATOM 755 CA PHE 92 -7.534 -3.081 3.196 1.00 0.00 ATOM 756 CB PHE 92 -6.469 -2.191 2.553 1.00 0.00 ATOM 757 CG PHE 92 -6.474 -0.759 3.027 1.00 0.00 ATOM 758 CD1 PHE 92 -6.119 -0.471 4.357 1.00 0.00 ATOM 759 CD2 PHE 92 -6.894 0.267 2.179 1.00 0.00 ATOM 760 CE1 PHE 92 -6.110 0.826 4.826 1.00 0.00 ATOM 761 CE2 PHE 92 -6.884 1.602 2.651 1.00 0.00 ATOM 762 CZ PHE 92 -6.471 1.868 3.980 1.00 0.00 ATOM 763 O PHE 92 -9.510 -2.026 4.121 1.00 0.00 ATOM 764 C PHE 92 -8.951 -2.528 3.117 1.00 0.00 ATOM 765 N ILE 93 -9.568 -2.617 1.945 1.00 0.00 ATOM 766 CA ILE 93 -10.935 -2.142 1.766 1.00 0.00 ATOM 767 CB ILE 93 -11.448 -2.919 0.339 1.00 0.00 ATOM 768 CG1 ILE 93 -10.339 -3.060 -0.739 1.00 0.00 ATOM 769 CG2 ILE 93 -12.739 -2.375 -0.347 1.00 0.00 ATOM 770 CD1 ILE 93 -10.004 -1.764 -1.508 1.00 0.00 ATOM 771 O ILE 93 -12.787 -2.416 3.272 1.00 0.00 ATOM 772 C ILE 93 -11.911 -2.970 2.608 1.00 0.00 ATOM 773 N GLU 94 -11.741 -4.290 2.620 1.00 0.00 ATOM 774 CA GLU 94 -12.619 -5.139 3.430 1.00 0.00 ATOM 775 CB GLU 94 -12.289 -6.618 3.236 1.00 0.00 ATOM 776 CG GLU 94 -12.679 -7.148 1.862 1.00 0.00 ATOM 777 CD GLU 94 -12.345 -8.615 1.690 1.00 0.00 ATOM 778 OE1 GLU 94 -11.530 -9.145 2.471 1.00 0.00 ATOM 779 OE2 GLU 94 -12.898 -9.239 0.767 1.00 0.00 ATOM 780 O GLU 94 -13.498 -4.703 5.621 1.00 0.00 ATOM 781 C GLU 94 -12.495 -4.792 4.916 1.00 0.00 ATOM 782 N THR 95 -11.262 -4.611 5.393 1.00 0.00 ATOM 783 CA THR 95 -11.037 -4.274 6.790 1.00 0.00 ATOM 784 CB THR 95 -9.538 -4.324 7.149 1.00 0.00 ATOM 785 CG2 THR 95 -9.327 -3.933 8.603 1.00 0.00 ATOM 786 OG1 THR 95 -9.040 -5.652 6.947 1.00 0.00 ATOM 787 O THR 95 -12.166 -2.646 8.153 1.00 0.00 ATOM 788 C THR 95 -11.537 -2.870 7.115 1.00 0.00 ATOM 789 N VAL 96 -11.266 -1.918 6.230 1.00 0.00 ATOM 790 CA VAL 96 -11.715 -0.558 6.457 1.00 0.00 ATOM 791 CB VAL 96 -11.249 0.386 5.333 1.00 0.00 ATOM 792 CG1 VAL 96 -11.901 1.752 5.480 1.00 0.00 ATOM 793 CG2 VAL 96 -9.740 0.565 5.378 1.00 0.00 ATOM 794 O VAL 96 -13.749 0.127 7.468 1.00 0.00 ATOM 795 C VAL 96 -13.216 -0.450 6.524 1.00 0.00 ATOM 796 N LYS 97 -13.912 -1.007 5.541 1.00 0.00 ATOM 797 CA LYS 97 -15.368 -0.952 5.510 1.00 0.00 ATOM 798 CB LYS 97 -15.910 -1.706 4.291 1.00 0.00 ATOM 799 CG LYS 97 -17.431 -1.681 4.180 1.00 0.00 ATOM 800 CD LYS 97 -17.958 -2.819 3.314 1.00 0.00 ATOM 801 CE LYS 97 -17.525 -2.680 1.867 1.00 0.00 ATOM 802 NZ LYS 97 -18.140 -1.484 1.235 1.00 0.00 ATOM 803 O LYS 97 -16.807 -1.031 7.429 1.00 0.00 ATOM 804 C LYS 97 -15.917 -1.585 6.783 1.00 0.00 ATOM 805 N GLN 98 -15.384 -2.750 7.140 1.00 0.00 ATOM 806 CA GLN 98 -15.824 -3.449 8.342 1.00 0.00 ATOM 807 CB GLN 98 -15.090 -4.784 8.484 1.00 0.00 ATOM 808 CG GLN 98 -15.546 -5.842 7.493 1.00 0.00 ATOM 809 CD GLN 98 -17.047 -6.078 7.548 1.00 0.00 ATOM 810 OE1 GLN 98 -17.603 -6.385 8.605 1.00 0.00 ATOM 811 NE2 GLN 98 -17.710 -5.935 6.405 1.00 0.00 ATOM 812 O GLN 98 -16.497 -2.522 10.451 1.00 0.00 ATOM 813 C GLN 98 -15.613 -2.608 9.598 1.00 0.00 ATOM 814 N ARG 99 -14.442 -1.993 9.716 1.00 0.00 ATOM 815 CA ARG 99 -14.146 -1.157 10.875 1.00 0.00 ATOM 816 CB ARG 99 -12.722 -0.604 10.780 1.00 0.00 ATOM 817 CG ARG 99 -12.342 0.354 11.904 1.00 0.00 ATOM 818 CD ARG 99 -12.612 -0.241 13.278 1.00 0.00 ATOM 819 NE ARG 99 -12.125 0.637 14.340 1.00 0.00 ATOM 820 CZ ARG 99 -12.348 0.448 15.635 1.00 0.00 ATOM 821 NH1 ARG 99 -13.059 -0.593 16.046 1.00 0.00 ATOM 822 NH2 ARG 99 -11.855 1.302 16.523 1.00 0.00 ATOM 823 O ARG 99 -15.747 0.241 11.997 1.00 0.00 ATOM 824 C ARG 99 -15.154 -0.015 10.947 1.00 0.00 ATOM 825 N GLY 100 -16.732 0.408 9.362 1.00 0.00 ATOM 826 CA GLY 100 -17.806 1.355 9.153 1.00 0.00 ATOM 827 O GLY 100 -18.122 3.560 8.368 1.00 0.00 ATOM 828 C GLY 100 -17.415 2.589 8.338 1.00 0.00 ATOM 829 N CYS 101 -16.292 2.572 7.632 1.00 0.00 ATOM 830 CA CYS 101 -15.925 3.717 6.820 1.00 0.00 ATOM 831 CB CYS 101 -14.565 3.491 6.157 1.00 0.00 ATOM 832 SG CYS 101 -13.173 3.433 7.307 1.00 0.00 ATOM 833 O CYS 101 -17.505 2.927 5.200 1.00 0.00 ATOM 834 C CYS 101 -16.996 3.902 5.749 1.00 0.00 ATOM 835 N THR 102 -17.356 5.152 5.483 1.00 0.00 ATOM 836 CA THR 102 -18.327 5.462 4.471 1.00 0.00 ATOM 837 CB THR 102 -19.065 6.778 4.780 1.00 0.00 ATOM 838 CG2 THR 102 -19.750 6.700 6.134 1.00 0.00 ATOM 839 OG1 THR 102 -18.126 7.864 4.797 1.00 0.00 ATOM 840 O THR 102 -18.077 5.611 2.088 1.00 0.00 ATOM 841 C THR 102 -17.525 5.584 3.168 1.00 0.00 ATOM 842 N ARG 103 -16.208 5.688 3.290 1.00 0.00 ATOM 843 CA ARG 103 -15.341 5.711 2.117 1.00 0.00 ATOM 844 CB ARG 103 -15.419 7.069 1.418 1.00 0.00 ATOM 845 CG ARG 103 -14.941 8.234 2.270 1.00 0.00 ATOM 846 CD ARG 103 -15.087 9.556 1.533 1.00 0.00 ATOM 847 NE ARG 103 -14.658 10.688 2.349 1.00 0.00 ATOM 848 CZ ARG 103 -14.675 11.952 1.940 1.00 0.00 ATOM 849 NH1 ARG 103 -14.265 12.918 2.751 1.00 0.00 ATOM 850 NH2 ARG 103 -15.101 12.248 0.719 1.00 0.00 ATOM 851 O ARG 103 -13.486 5.653 3.653 1.00 0.00 ATOM 852 C ARG 103 -13.893 5.462 2.501 1.00 0.00 ATOM 853 N VAL 104 -13.126 5.035 1.503 1.00 0.00 ATOM 854 CA VAL 104 -11.725 4.789 1.679 1.00 0.00 ATOM 855 CB VAL 104 -11.413 3.281 1.688 1.00 0.00 ATOM 856 CG1 VAL 104 -11.882 2.634 0.393 1.00 0.00 ATOM 857 CG2 VAL 104 -9.918 3.045 1.829 1.00 0.00 ATOM 858 O VAL 104 -11.424 5.313 -0.651 1.00 0.00 ATOM 859 C VAL 104 -11.029 5.459 0.515 1.00 0.00 ATOM 860 N LYS 105 -10.007 6.233 0.827 1.00 0.00 ATOM 861 CA LYS 105 -9.269 6.931 -0.197 1.00 0.00 ATOM 862 CB LYS 105 -9.434 8.445 -0.041 1.00 0.00 ATOM 863 CG LYS 105 -8.976 8.982 1.305 1.00 0.00 ATOM 864 CD LYS 105 -9.187 10.485 1.397 1.00 0.00 ATOM 865 CE LYS 105 -8.726 11.025 2.742 1.00 0.00 ATOM 866 NZ LYS 105 -8.935 12.496 2.852 1.00 0.00 ATOM 867 O LYS 105 -7.264 6.111 0.901 1.00 0.00 ATOM 868 C LYS 105 -7.772 6.610 -0.123 1.00 0.00 ATOM 869 N CYS 106 -7.114 6.915 -1.242 1.00 0.00 ATOM 870 CA CYS 106 -5.667 6.702 -1.324 1.00 0.00 ATOM 871 CB CYS 106 -5.507 5.265 -1.787 1.00 0.00 ATOM 872 SG CYS 106 -3.764 4.848 -1.948 1.00 0.00 ATOM 873 O CYS 106 -5.782 7.957 -3.369 1.00 0.00 ATOM 874 C CYS 106 -5.066 7.453 -2.484 1.00 0.00 ATOM 875 N VAL 107 -3.739 7.536 -2.454 1.00 0.00 ATOM 876 CA VAL 107 -2.970 8.024 -3.608 1.00 0.00 ATOM 877 CB VAL 107 -2.177 9.297 -3.327 1.00 0.00 ATOM 878 CG1 VAL 107 -1.307 9.676 -4.558 1.00 0.00 ATOM 879 CG2 VAL 107 -3.157 10.444 -3.020 1.00 0.00 ATOM 880 O VAL 107 -1.308 6.404 -2.946 1.00 0.00 ATOM 881 C VAL 107 -1.987 6.879 -3.880 1.00 0.00 ATOM 882 N THR 108 -2.396 8.084 -5.763 1.00 0.00 ATOM 883 CA THR 108 -1.503 7.358 -6.662 1.00 0.00 ATOM 884 CB THR 108 -2.291 6.543 -7.705 1.00 0.00 ATOM 885 CG2 THR 108 -1.339 5.810 -8.636 1.00 0.00 ATOM 886 OG1 THR 108 -3.119 5.584 -7.039 1.00 0.00 ATOM 887 O THR 108 -1.129 9.182 -8.100 1.00 0.00 ATOM 888 C THR 108 -0.592 8.320 -7.417 1.00 0.00 ATOM 889 N SER 109 0.723 8.188 -7.285 1.00 0.00 ATOM 890 CA SER 109 1.672 9.038 -8.016 1.00 0.00 ATOM 891 CB SER 109 2.596 9.770 -7.042 1.00 0.00 ATOM 892 OG SER 109 3.461 8.863 -6.380 1.00 0.00 ATOM 893 O SER 109 2.464 6.913 -8.820 1.00 0.00 ATOM 894 C SER 109 2.499 8.136 -8.936 1.00 0.00 ATOM 895 N PRO 110 3.244 8.703 -9.869 1.00 0.00 ATOM 896 CA PRO 110 3.952 7.894 -10.872 1.00 0.00 ATOM 897 CB PRO 110 4.200 8.872 -12.024 1.00 0.00 ATOM 898 CG PRO 110 4.310 10.205 -11.365 1.00 0.00 ATOM 899 CD PRO 110 3.241 10.238 -10.309 1.00 0.00 ATOM 900 O PRO 110 6.338 7.924 -10.482 1.00 0.00 ATOM 901 C PRO 110 5.273 7.336 -10.319 1.00 0.00 ATOM 902 N VAL 111 5.110 6.206 -9.637 1.00 0.00 ATOM 903 CA VAL 111 6.219 5.575 -8.933 1.00 0.00 ATOM 904 CB VAL 111 6.050 5.677 -7.406 1.00 0.00 ATOM 905 CG1 VAL 111 6.034 7.134 -6.968 1.00 0.00 ATOM 906 CG2 VAL 111 4.743 5.030 -6.969 1.00 0.00 ATOM 907 O VAL 111 5.323 3.525 -9.822 1.00 0.00 ATOM 908 C VAL 111 6.299 4.094 -9.307 1.00 0.00 ATOM 909 N ASN 112 7.437 3.481 -9.022 1.00 0.00 ATOM 910 CA ASN 112 7.617 2.056 -9.254 1.00 0.00 ATOM 911 CB ASN 112 9.080 1.659 -9.042 1.00 0.00 ATOM 912 CG ASN 112 9.980 2.127 -10.168 1.00 0.00 ATOM 913 ND2 ASN 112 9.427 2.930 -11.070 1.00 0.00 ATOM 914 OD1 ASN 112 11.156 1.770 -10.224 1.00 0.00 ATOM 915 O ASN 112 6.161 0.179 -8.688 1.00 0.00 ATOM 916 C ASN 112 6.752 1.223 -8.292 1.00 0.00 ATOM 917 N LYS 113 6.708 1.694 -7.037 1.00 0.00 ATOM 918 CA LYS 113 5.979 0.975 -5.983 1.00 0.00 ATOM 919 CB LYS 113 6.163 1.728 -4.590 1.00 0.00 ATOM 920 CG LYS 113 5.942 0.909 -3.328 1.00 0.00 ATOM 921 CD LYS 113 6.472 1.619 -2.101 1.00 0.00 ATOM 922 CE LYS 113 6.627 0.651 -0.931 1.00 0.00 ATOM 923 NZ LYS 113 7.661 -0.407 -1.181 1.00 0.00 ATOM 924 O LYS 113 3.648 0.655 -5.388 1.00 0.00 ATOM 925 C LYS 113 4.484 1.295 -6.042 1.00 0.00 ATOM 926 N VAL 114 4.122 2.231 -6.882 1.00 0.00 ATOM 927 CA VAL 114 2.720 2.628 -7.004 1.00 0.00 ATOM 928 CB VAL 114 2.474 3.999 -6.354 1.00 0.00 ATOM 929 CG1 VAL 114 1.076 4.498 -6.712 1.00 0.00 ATOM 930 CG2 VAL 114 2.627 3.876 -4.835 1.00 0.00 ATOM 931 O VAL 114 3.249 3.207 -9.280 1.00 0.00 ATOM 932 C VAL 114 2.385 2.843 -8.467 1.00 0.00 ATOM 933 N SER 115 1.073 1.507 -8.430 1.00 0.00 ATOM 934 CA SER 115 0.649 1.173 -9.788 1.00 0.00 ATOM 935 CB SER 115 0.408 -0.332 -9.920 1.00 0.00 ATOM 936 OG SER 115 -0.100 -0.657 -11.203 1.00 0.00 ATOM 937 O SER 115 -1.581 1.912 -9.319 1.00 0.00 ATOM 938 C SER 115 -0.643 1.917 -10.096 1.00 0.00 ATOM 939 N ILE 116 -0.620 2.604 -11.239 1.00 0.00 ATOM 940 CA ILE 116 -1.801 3.326 -11.708 1.00 0.00 ATOM 941 CB ILE 116 -1.605 4.077 -12.990 1.00 0.00 ATOM 942 CG1 ILE 116 -2.899 4.789 -13.389 1.00 0.00 ATOM 943 CG2 ILE 116 -1.148 3.152 -14.100 1.00 0.00 ATOM 944 CD1 ILE 116 -3.361 5.833 -12.395 1.00 0.00 ATOM 945 O ILE 116 -4.051 2.491 -11.546 1.00 0.00 ATOM 946 C ILE 116 -2.912 2.294 -11.960 1.00 0.00 ATOM 947 N ALA 117 -2.579 1.192 -12.624 1.00 0.00 ATOM 948 CA ALA 117 -3.540 0.128 -12.904 1.00 0.00 ATOM 949 CB ALA 117 -2.747 -1.091 -13.451 1.00 0.00 ATOM 950 O ALA 117 -4.833 -1.542 -11.777 1.00 0.00 ATOM 951 C ALA 117 -3.864 -0.784 -11.724 1.00 0.00 ATOM 952 N TYR 118 -3.041 -0.703 -10.664 1.00 0.00 ATOM 953 CA TYR 118 -3.272 -1.560 -9.504 1.00 0.00 ATOM 954 CB TYR 118 -2.125 -1.404 -8.503 1.00 0.00 ATOM 955 CG TYR 118 -0.912 -2.232 -8.896 1.00 0.00 ATOM 956 CD1 TYR 118 0.265 -1.670 -9.336 1.00 0.00 ATOM 957 CD2 TYR 118 -1.023 -3.617 -8.767 1.00 0.00 ATOM 958 CE1 TYR 118 1.373 -2.483 -9.623 1.00 0.00 ATOM 959 CE2 TYR 118 0.088 -4.418 -8.998 1.00 0.00 ATOM 960 CZ TYR 118 1.249 -3.839 -9.429 1.00 0.00 ATOM 961 OH TYR 118 2.338 -4.681 -9.632 1.00 0.00 ATOM 962 O TYR 118 -5.307 -2.214 -8.386 1.00 0.00 ATOM 963 C TYR 118 -4.608 -1.324 -8.833 1.00 0.00 ATOM 964 N HIS 119 -4.959 -0.020 -8.606 1.00 0.00 ATOM 965 CA HIS 119 -6.245 0.225 -7.968 1.00 0.00 ATOM 966 CB HIS 119 -6.698 1.779 -8.459 1.00 0.00 ATOM 967 CG HIS 119 -5.660 2.857 -8.571 1.00 0.00 ATOM 968 CD2 HIS 119 -5.067 3.415 -9.659 1.00 0.00 ATOM 969 ND1 HIS 119 -5.050 3.434 -7.481 1.00 0.00 ATOM 970 CE1 HIS 119 -4.131 4.280 -7.878 1.00 0.00 ATOM 971 NE2 HIS 119 -4.116 4.286 -9.200 1.00 0.00 ATOM 972 O HIS 119 -8.281 -0.972 -8.209 1.00 0.00 ATOM 973 C HIS 119 -7.405 -0.317 -8.769 1.00 0.00 ATOM 974 N THR 120 -7.459 -0.107 -10.066 1.00 0.00 ATOM 975 CA THR 120 -8.499 -0.569 -10.933 1.00 0.00 ATOM 976 CB THR 120 -8.486 0.025 -12.356 1.00 0.00 ATOM 977 CG2 THR 120 -9.589 -0.455 -13.251 1.00 0.00 ATOM 978 OG1 THR 120 -8.647 1.437 -12.210 1.00 0.00 ATOM 979 O THR 120 -9.514 -2.747 -10.735 1.00 0.00 ATOM 980 C THR 120 -8.500 -2.084 -10.982 1.00 0.00 ATOM 981 N LYS 121 -7.324 -2.651 -11.249 1.00 0.00 ATOM 982 CA LYS 121 -7.202 -4.114 -11.316 1.00 0.00 ATOM 983 CB LYS 121 -5.801 -4.520 -11.825 1.00 0.00 ATOM 984 CG LYS 121 -5.603 -6.056 -11.975 1.00 0.00 ATOM 985 CD LYS 121 -6.217 -6.574 -13.282 1.00 0.00 ATOM 986 CE LYS 121 -6.165 -8.105 -13.368 1.00 0.00 ATOM 987 NZ LYS 121 -6.887 -8.615 -14.597 1.00 0.00 ATOM 988 O LYS 121 -7.895 -5.922 -9.864 1.00 0.00 ATOM 989 C LYS 121 -7.480 -4.761 -9.949 1.00 0.00 ATOM 990 N LEU 122 -7.217 -4.021 -8.880 1.00 0.00 ATOM 991 CA LEU 122 -7.459 -4.509 -7.527 1.00 0.00 ATOM 992 CB LEU 122 -6.261 -3.966 -6.497 1.00 0.00 ATOM 993 CG LEU 122 -4.936 -3.444 -7.040 1.00 0.00 ATOM 994 CD1 LEU 122 -4.175 -2.675 -5.957 1.00 0.00 ATOM 995 CD2 LEU 122 -4.075 -4.580 -7.566 1.00 0.00 ATOM 996 O LEU 122 -9.138 -4.248 -5.807 1.00 0.00 ATOM 997 C LEU 122 -8.839 -4.077 -6.995 1.00 0.00 ATOM 998 N GLY 123 -10.634 -3.791 -6.634 1.00 0.00 ATOM 999 CA GLY 123 -11.913 -3.114 -6.460 1.00 0.00 ATOM 1000 O GLY 123 -12.836 -1.348 -5.116 1.00 0.00 ATOM 1001 C GLY 123 -11.842 -1.794 -5.699 1.00 0.00 ATOM 1002 N PHE 124 -10.659 -1.164 -5.731 1.00 0.00 ATOM 1003 CA PHE 124 -10.468 0.081 -5.028 1.00 0.00 ATOM 1004 CB PHE 124 -9.160 0.569 -5.330 1.00 0.00 ATOM 1005 CG PHE 124 -8.563 0.401 -3.960 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.128 1.034 -2.855 1.00 0.00 ATOM 1007 CD2 PHE 124 -7.442 -0.371 -3.764 1.00 0.00 ATOM 1008 CE1 PHE 124 -8.587 0.890 -1.598 1.00 0.00 ATOM 1009 CE2 PHE 124 -6.890 -0.541 -2.522 1.00 0.00 ATOM 1010 CZ PHE 124 -7.455 0.116 -1.440 1.00 0.00 ATOM 1011 O PHE 124 -11.008 1.124 -7.135 1.00 0.00 ATOM 1012 C PHE 124 -10.899 1.268 -5.904 1.00 0.00 ATOM 1013 N ASP 125 -11.171 2.406 -5.254 1.00 0.00 ATOM 1014 CA ASP 125 -11.603 3.634 -5.913 1.00 0.00 ATOM 1015 CB ASP 125 -13.056 3.953 -5.556 1.00 0.00 ATOM 1016 CG ASP 125 -14.025 2.913 -6.078 1.00 0.00 ATOM 1017 OD1 ASP 125 -14.143 2.777 -7.313 1.00 0.00 ATOM 1018 OD2 ASP 125 -14.671 2.234 -5.251 1.00 0.00 ATOM 1019 O ASP 125 -10.211 4.843 -4.379 1.00 0.00 ATOM 1020 C ASP 125 -10.739 4.805 -5.488 1.00 0.00 ATOM 1021 N ILE 126 -10.630 5.784 -6.359 1.00 0.00 ATOM 1022 CA ILE 126 -9.855 6.963 -6.045 1.00 0.00 ATOM 1023 CB ILE 126 -9.226 7.786 -6.771 1.00 0.00 ATOM 1024 CG1 ILE 126 -7.796 7.279 -6.649 1.00 0.00 ATOM 1025 CG2 ILE 126 -9.275 9.209 -6.223 1.00 0.00 ATOM 1026 CD1 ILE 126 -6.856 7.784 -7.739 1.00 0.00 ATOM 1027 O ILE 126 -11.761 7.815 -4.895 1.00 0.00 ATOM 1028 C ILE 126 -10.550 7.671 -4.890 1.00 0.00 ATOM 1029 N GLU 127 -9.799 8.111 -3.894 1.00 0.00 ATOM 1030 CA GLU 127 -10.447 8.706 -2.747 1.00 0.00 ATOM 1031 CB GLU 127 -10.864 7.374 -1.896 1.00 0.00 ATOM 1032 CG GLU 127 -12.344 7.303 -1.528 1.00 0.00 ATOM 1033 CD GLU 127 -12.981 8.662 -1.528 1.00 0.00 ATOM 1034 OE1 GLU 127 -12.698 9.558 -0.719 1.00 0.00 ATOM 1035 OE2 GLU 127 -13.878 8.753 -2.491 1.00 0.00 ATOM 1036 O GLU 127 -10.382 10.605 -1.343 1.00 0.00 ATOM 1037 C GLU 127 -9.804 9.956 -2.203 1.00 0.00 ATOM 1038 N LYS 128 -8.616 10.302 -2.647 1.00 0.00 ATOM 1039 CA LYS 128 -7.951 11.510 -2.179 1.00 0.00 ATOM 1040 CB LYS 128 -6.626 10.917 -1.506 1.00 0.00 ATOM 1041 CG LYS 128 -5.733 11.893 -0.818 1.00 0.00 ATOM 1042 CD LYS 128 -4.356 11.367 -0.385 1.00 0.00 ATOM 1043 CE LYS 128 -4.321 10.060 0.377 1.00 0.00 ATOM 1044 NZ LYS 128 -3.029 9.550 0.974 1.00 0.00 ATOM 1045 O LYS 128 -7.763 13.755 -2.980 1.00 0.00 ATOM 1046 C LYS 128 -7.760 12.558 -3.266 1.00 0.00 ATOM 1047 N GLY 129 -7.585 12.125 -4.509 1.00 0.00 ATOM 1048 CA GLY 129 -7.363 13.053 -5.600 1.00 0.00 ATOM 1049 O GLY 129 -5.733 11.511 -6.431 1.00 0.00 ATOM 1050 C GLY 129 -6.080 12.689 -6.331 1.00 0.00 ATOM 1051 N THR 130 -5.370 13.704 -6.807 1.00 0.00 ATOM 1052 CA THR 130 -4.124 13.487 -7.551 1.00 0.00 ATOM 1053 CB THR 130 -4.220 13.786 -9.052 1.00 0.00 ATOM 1054 CG2 THR 130 -5.436 13.147 -9.685 1.00 0.00 ATOM 1055 OG1 THR 130 -4.198 15.191 -9.339 1.00 0.00 ATOM 1056 O THR 130 -3.313 15.424 -6.382 1.00 0.00 ATOM 1057 C THR 130 -3.039 14.430 -7.072 1.00 0.00 ATOM 1058 N LYS 131 -1.793 14.062 -7.419 1.00 0.00 ATOM 1059 CA LYS 131 -0.665 14.942 -7.060 1.00 0.00 ATOM 1060 CB LYS 131 0.636 14.514 -8.056 1.00 0.00 ATOM 1061 CG LYS 131 1.758 13.538 -7.685 1.00 0.00 ATOM 1062 CD LYS 131 1.760 12.311 -8.581 1.00 0.00 ATOM 1063 CE LYS 131 0.968 11.149 -8.014 1.00 0.00 ATOM 1064 NZ LYS 131 1.637 10.641 -6.792 1.00 0.00 ATOM 1065 O LYS 131 -0.573 17.363 -7.059 1.00 0.00 ATOM 1066 C LYS 131 -0.768 16.312 -7.684 1.00 0.00 ATOM 1067 N THR 132 -1.055 16.276 -8.971 1.00 0.00 ATOM 1068 CA THR 132 -1.114 17.575 -9.600 1.00 0.00 ATOM 1069 CB THR 132 -1.116 17.417 -11.136 1.00 0.00 ATOM 1070 CG2 THR 132 -1.458 18.721 -11.873 1.00 0.00 ATOM 1071 OG1 THR 132 0.125 16.846 -11.549 1.00 0.00 ATOM 1072 O THR 132 -2.155 19.633 -8.970 1.00 0.00 ATOM 1073 C THR 132 -2.286 18.418 -9.077 1.00 0.00 ATOM 1074 N VAL 133 -3.441 17.860 -8.777 1.00 0.00 ATOM 1075 CA VAL 133 -4.554 18.664 -8.262 1.00 0.00 ATOM 1076 CB VAL 133 -5.790 17.794 -7.967 1.00 0.00 ATOM 1077 CG1 VAL 133 -6.853 18.608 -7.246 1.00 0.00 ATOM 1078 CG2 VAL 133 -6.387 17.262 -9.260 1.00 0.00 ATOM 1079 O VAL 133 -4.617 20.602 -6.856 1.00 0.00 ATOM 1080 C VAL 133 -4.291 19.422 -6.963 1.00 0.00 ATOM 1081 N ASN 134 -3.730 18.740 -5.971 1.00 0.00 ATOM 1082 CA ASN 134 -3.440 19.344 -4.673 1.00 0.00 ATOM 1083 CB ASN 134 -3.858 18.405 -3.540 1.00 0.00 ATOM 1084 CG ASN 134 -5.364 18.288 -3.408 1.00 0.00 ATOM 1085 ND2 ASN 134 -5.899 17.127 -3.768 1.00 0.00 ATOM 1086 OD1 ASN 134 -6.036 19.229 -2.984 1.00 0.00 ATOM 1087 O ASN 134 -1.436 19.722 -3.400 1.00 0.00 ATOM 1088 C ASN 134 -1.953 19.636 -4.521 1.00 0.00 ATOM 1089 N GLY 135 -1.277 19.809 -5.650 1.00 0.00 ATOM 1090 CA GLY 135 0.149 20.054 -5.635 1.00 0.00 ATOM 1091 O GLY 135 0.151 17.989 -6.830 1.00 0.00 ATOM 1092 C GLY 135 0.817 18.933 -6.405 1.00 0.00 ATOM 1093 N ILE 136 2.130 19.007 -6.557 1.00 0.00 ATOM 1094 CA ILE 136 2.872 17.998 -7.298 1.00 0.00 ATOM 1095 CB ILE 136 4.388 18.271 -7.266 1.00 0.00 ATOM 1096 CG1 ILE 136 4.707 19.583 -7.985 1.00 0.00 ATOM 1097 CG2 ILE 136 5.147 17.147 -7.952 1.00 0.00 ATOM 1098 CD1 ILE 136 6.131 20.054 -7.790 1.00 0.00 ATOM 1099 O ILE 136 3.016 16.253 -5.645 1.00 0.00 ATOM 1100 C ILE 136 2.718 16.573 -6.800 1.00 0.00 ATOM 1101 N SER 137 2.226 15.729 -7.699 1.00 0.00 ATOM 1102 CA SER 137 2.036 14.313 -7.435 1.00 0.00 ATOM 1103 CB SER 137 3.218 13.498 -8.066 1.00 0.00 ATOM 1104 OG SER 137 4.460 13.980 -7.613 1.00 0.00 ATOM 1105 O SER 137 1.109 12.910 -5.731 1.00 0.00 ATOM 1106 C SER 137 1.014 13.963 -6.357 1.00 0.00 ATOM 1107 N VAL 138 0.051 14.866 -6.133 1.00 0.00 ATOM 1108 CA VAL 138 -1.001 14.635 -5.163 1.00 0.00 ATOM 1109 CB VAL 138 -1.191 15.866 -4.246 1.00 0.00 ATOM 1110 CG1 VAL 138 -2.399 15.666 -3.301 1.00 0.00 ATOM 1111 CG2 VAL 138 0.038 16.010 -3.395 1.00 0.00 ATOM 1112 O VAL 138 -2.523 15.222 -6.928 1.00 0.00 ATOM 1113 C VAL 138 -2.176 14.379 -6.096 1.00 0.00 ATOM 1114 N PHE 139 -2.751 13.180 -5.968 1.00 0.00 ATOM 1115 CA PHE 139 -3.836 12.791 -6.843 1.00 0.00 ATOM 1116 CB PHE 139 -3.342 11.857 -7.986 1.00 0.00 ATOM 1117 CG PHE 139 -4.453 11.593 -8.983 1.00 0.00 ATOM 1118 CD1 PHE 139 -5.309 10.506 -8.797 1.00 0.00 ATOM 1119 CD2 PHE 139 -4.621 12.449 -10.071 1.00 0.00 ATOM 1120 CE1 PHE 139 -6.338 10.252 -9.701 1.00 0.00 ATOM 1121 CE2 PHE 139 -5.648 12.205 -10.987 1.00 0.00 ATOM 1122 CZ PHE 139 -6.494 11.112 -10.794 1.00 0.00 ATOM 1123 O PHE 139 -4.377 11.136 -5.210 1.00 0.00 ATOM 1124 C PHE 139 -4.780 11.841 -6.146 1.00 0.00 ATOM 1125 N ALA 140 -6.920 11.512 -6.783 1.00 0.00 ATOM 1126 CA ALA 140 -7.725 11.008 -5.680 1.00 0.00 ATOM 1127 CB ALA 140 -7.603 11.908 -4.509 1.00 0.00 ATOM 1128 O ALA 140 -9.529 12.162 -6.739 1.00 0.00 ATOM 1129 C ALA 140 -9.176 11.183 -6.081 1.00 0.00 ATOM 1130 N ASN 141 -10.000 10.220 -5.688 1.00 0.00 ATOM 1131 CA ASN 141 -11.421 10.255 -5.997 1.00 0.00 ATOM 1132 CB ASN 141 -12.076 11.462 -5.327 1.00 0.00 ATOM 1133 CG ASN 141 -13.565 11.293 -5.161 1.00 0.00 ATOM 1134 ND2 ASN 141 -14.052 10.089 -5.421 1.00 0.00 ATOM 1135 OD1 ASN 141 -14.274 12.232 -4.796 1.00 0.00 ATOM 1136 O ASN 141 -12.439 11.034 -8.039 1.00 0.00 ATOM 1137 C ASN 141 -11.548 10.364 -7.516 1.00 0.00 ATOM 1138 N TYR 142 -10.631 9.695 -8.209 1.00 0.00 ATOM 1139 CA TYR 142 -10.585 9.685 -9.665 1.00 0.00 ATOM 1140 CB TYR 142 -9.342 8.913 -10.107 1.00 0.00 ATOM 1141 CG TYR 142 -8.966 9.098 -11.557 1.00 0.00 ATOM 1142 CD1 TYR 142 -8.522 10.332 -12.034 1.00 0.00 ATOM 1143 CD2 TYR 142 -9.034 8.031 -12.449 1.00 0.00 ATOM 1144 CE1 TYR 142 -8.150 10.495 -13.371 1.00 0.00 ATOM 1145 CE2 TYR 142 -8.668 8.182 -13.778 1.00 0.00 ATOM 1146 CZ TYR 142 -8.227 9.409 -14.234 1.00 0.00 ATOM 1147 OH TYR 142 -7.860 9.532 -15.548 1.00 0.00 ATOM 1148 O TYR 142 -12.312 8.015 -9.807 1.00 0.00 ATOM 1149 C TYR 142 -11.848 9.056 -10.268 1.00 0.00 ATOM 1150 N ASP 143 -12.393 9.691 -11.304 1.00 0.00 ATOM 1151 CA ASP 143 -13.613 9.220 -11.969 1.00 0.00 ATOM 1152 CB ASP 143 -14.449 10.425 -12.437 1.00 0.00 ATOM 1153 CG ASP 143 -15.763 10.022 -13.101 1.00 0.00 ATOM 1154 OD1 ASP 143 -16.203 8.860 -12.948 1.00 0.00 ATOM 1155 OD2 ASP 143 -16.369 10.884 -13.771 1.00 0.00 ATOM 1156 O ASP 143 -12.841 8.764 -14.194 1.00 0.00 ATOM 1157 C ASP 143 -13.314 8.310 -13.152 1.00 0.00 ATOM 1158 N GLY 144 -13.621 7.028 -12.989 1.00 0.00 ATOM 1159 CA GLY 144 -13.366 6.044 -14.026 1.00 0.00 ATOM 1160 O GLY 144 -10.997 6.064 -13.641 1.00 0.00 ATOM 1161 C GLY 144 -11.922 5.792 -14.430 1.00 0.00 ATOM 1162 N PRO 145 -11.720 5.247 -15.659 1.00 0.00 ATOM 1163 CA PRO 145 -10.462 4.892 -16.322 1.00 0.00 ATOM 1164 CB PRO 145 -10.904 4.493 -17.734 1.00 0.00 ATOM 1165 CG PRO 145 -12.185 3.813 -17.469 1.00 0.00 ATOM 1166 CD PRO 145 -12.859 4.776 -16.482 1.00 0.00 ATOM 1167 O PRO 145 -9.660 7.192 -16.547 1.00 0.00 ATOM 1168 C PRO 145 -9.401 5.984 -16.344 1.00 0.00 ATOM 1169 N GLY 146 -8.193 5.498 -16.108 1.00 0.00 ATOM 1170 CA GLY 146 -7.050 6.351 -16.086 1.00 0.00 ATOM 1171 O GLY 146 -6.687 5.994 -18.477 1.00 0.00 ATOM 1172 C GLY 146 -6.205 6.116 -17.328 1.00 0.00 ATOM 1173 N GLN 147 -4.923 6.063 -17.024 1.00 0.00 ATOM 1174 CA GLN 147 -3.899 5.918 -18.061 1.00 0.00 ATOM 1175 CB GLN 147 -2.575 6.507 -17.560 1.00 0.00 ATOM 1176 CG GLN 147 -2.566 8.009 -17.429 1.00 0.00 ATOM 1177 CD GLN 147 -1.188 8.567 -17.111 1.00 0.00 ATOM 1178 OE1 GLN 147 -0.215 7.812 -17.056 1.00 0.00 ATOM 1179 NE2 GLN 147 -1.098 9.875 -16.904 1.00 0.00 ATOM 1180 O GLN 147 -3.691 3.572 -17.480 1.00 0.00 ATOM 1181 C GLN 147 -3.705 4.448 -18.384 1.00 0.00 ATOM 1182 N ASP 148 -3.515 4.122 -19.656 1.00 0.00 ATOM 1183 CA ASP 148 -3.249 2.740 -20.044 1.00 0.00 ATOM 1184 CB ASP 148 -3.138 2.622 -21.568 1.00 0.00 ATOM 1185 CG ASP 148 -4.490 2.639 -22.264 1.00 0.00 ATOM 1186 OD1 ASP 148 -4.508 2.681 -23.513 1.00 0.00 ATOM 1187 OD2 ASP 148 -5.530 2.606 -21.570 1.00 0.00 ATOM 1188 O ASP 148 -1.968 1.113 -18.852 1.00 0.00 ATOM 1189 C ASP 148 -1.973 2.206 -19.409 1.00 0.00 ATOM 1190 N ARG 149 -0.895 2.985 -19.495 1.00 0.00 ATOM 1191 CA ARG 149 0.397 2.582 -18.947 1.00 0.00 ATOM 1192 CB ARG 149 1.472 3.600 -19.341 1.00 0.00 ATOM 1193 CG ARG 149 2.910 3.137 -19.134 1.00 0.00 ATOM 1194 CD ARG 149 3.230 1.899 -19.970 1.00 0.00 ATOM 1195 NE ARG 149 2.623 1.967 -21.301 1.00 0.00 ATOM 1196 CZ ARG 149 2.951 2.847 -22.241 1.00 0.00 ATOM 1197 NH1 ARG 149 3.900 3.747 -22.020 1.00 0.00 ATOM 1198 NH2 ARG 149 2.308 2.847 -23.401 1.00 0.00 ATOM 1199 O ARG 149 0.962 1.516 -16.875 1.00 0.00 ATOM 1200 C ARG 149 0.363 2.437 -17.429 1.00 0.00 ATOM 1201 N VAL 150 -0.329 3.353 -16.756 1.00 0.00 ATOM 1202 CA VAL 150 -0.428 3.297 -15.305 1.00 0.00 ATOM 1203 CB VAL 150 -1.046 4.717 -14.814 1.00 0.00 ATOM 1204 CG1 VAL 150 -1.171 4.744 -13.303 1.00 0.00 ATOM 1205 CG2 VAL 150 -0.216 5.901 -15.301 1.00 0.00 ATOM 1206 O VAL 150 -0.796 1.358 -13.944 1.00 0.00 ATOM 1207 C VAL 150 -1.192 2.048 -14.881 1.00 0.00 ATOM 1208 N LEU 151 -2.279 1.742 -15.576 1.00 0.00 ATOM 1209 CA LEU 151 -3.057 0.557 -15.243 1.00 0.00 ATOM 1210 CB LEU 151 -4.257 0.406 -16.162 1.00 0.00 ATOM 1211 CG LEU 151 -5.432 1.312 -15.814 1.00 0.00 ATOM 1212 CD1 LEU 151 -6.420 1.353 -16.966 1.00 0.00 ATOM 1213 CD2 LEU 151 -6.083 0.797 -14.540 1.00 0.00 ATOM 1214 O LEU 151 -2.364 -1.674 -14.724 1.00 0.00 ATOM 1215 C LEU 151 -2.232 -0.705 -15.467 1.00 0.00 ATOM 1216 N PHE 152 -1.383 -0.697 -16.484 1.00 0.00 ATOM 1217 CA PHE 152 -0.524 -1.860 -16.741 1.00 0.00 ATOM 1218 CB PHE 152 -0.355 -2.079 -18.245 1.00 0.00 ATOM 1219 CG PHE 152 -1.601 -2.555 -18.933 1.00 0.00 ATOM 1220 CD1 PHE 152 -2.672 -3.034 -18.201 1.00 0.00 ATOM 1221 CD2 PHE 152 -1.703 -2.523 -20.314 1.00 0.00 ATOM 1222 CE1 PHE 152 -3.821 -3.474 -18.834 1.00 0.00 ATOM 1223 CE2 PHE 152 -2.852 -2.961 -20.947 1.00 0.00 ATOM 1224 CZ PHE 152 -3.908 -3.434 -20.213 1.00 0.00 ATOM 1225 O PHE 152 1.867 -1.992 -16.786 1.00 0.00 ATOM 1226 C PHE 152 0.867 -1.684 -16.137 1.00 0.00 ATOM 1227 N VAL 153 0.974 -1.199 -14.909 1.00 0.00 ATOM 1228 CA VAL 153 2.215 -0.978 -14.210 1.00 0.00 ATOM 1229 CB VAL 153 2.021 -0.174 -12.927 1.00 0.00 ATOM 1230 CG1 VAL 153 3.264 -0.185 -12.078 1.00 0.00 ATOM 1231 CG2 VAL 153 1.685 1.255 -13.250 1.00 0.00 ATOM 1232 O VAL 153 4.179 -2.354 -14.263 1.00 0.00 ATOM 1233 C VAL 153 2.948 -2.290 -14.022 1.00 0.00 ATOM 1234 N LYS 154 2.256 -3.336 -13.664 1.00 0.00 ATOM 1235 CA LYS 154 2.830 -4.667 -13.473 1.00 0.00 ATOM 1236 CB LYS 154 1.739 -5.589 -12.910 1.00 0.00 ATOM 1237 CG LYS 154 2.131 -7.035 -12.708 1.00 0.00 ATOM 1238 CD LYS 154 1.342 -7.631 -11.545 1.00 0.00 ATOM 1239 CE LYS 154 -0.168 -7.587 -11.776 1.00 0.00 ATOM 1240 NZ LYS 154 -0.954 -7.684 -10.499 1.00 0.00 ATOM 1241 O LYS 154 4.468 -5.776 -14.839 1.00 0.00 ATOM 1242 C LYS 154 3.389 -5.224 -14.788 1.00 0.00 ATOM 1243 N ASN 155 2.614 -5.064 -15.849 1.00 0.00 ATOM 1244 CA ASN 155 2.999 -5.550 -17.178 1.00 0.00 ATOM 1245 CB ASN 155 1.769 -5.947 -17.985 1.00 0.00 ATOM 1246 CG ASN 155 1.384 -7.376 -17.776 1.00 0.00 ATOM 1247 ND2 ASN 155 2.159 -8.296 -18.354 1.00 0.00 ATOM 1248 OD1 ASN 155 0.387 -7.662 -17.113 1.00 0.00 ATOM 1249 O ASN 155 4.125 -4.858 -19.168 1.00 0.00 ATOM 1250 C ASN 155 3.800 -4.571 -18.015 1.00 0.00 ATOM 1251 N ILE 156 4.034 -3.381 -17.465 1.00 0.00 ATOM 1252 CA ILE 156 4.795 -2.377 -18.218 1.00 0.00 ATOM 1253 CB ILE 156 4.846 -1.006 -17.475 1.00 0.00 ATOM 1254 CG1 ILE 156 3.430 -0.418 -17.391 1.00 0.00 ATOM 1255 CG2 ILE 156 5.759 -0.038 -18.212 1.00 0.00 ATOM 1256 CD1 ILE 156 3.351 0.860 -16.617 1.00 0.00 ATOM 1257 O ILE 156 6.598 -2.916 -19.730 1.00 0.00 ATOM 1258 C ILE 156 6.219 -2.887 -18.556 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:29:30 2002 Date: Thu, 5 Sep 2002 15:29:23 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Sep 5 14:58:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_816631_42046 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_4 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 4 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 4 PARENT N/A ATOM 1 N MET 1 -9.446 14.039 -9.865 1.00 0.00 ATOM 2 CA MET 1 -8.483 12.977 -9.464 1.00 0.00 ATOM 3 CB MET 1 -8.503 12.781 -7.947 1.00 0.00 ATOM 4 CG MET 1 -7.953 13.960 -7.161 1.00 0.00 ATOM 5 SD MET 1 -8.012 13.696 -5.379 1.00 0.00 ATOM 6 CE MET 1 -7.403 15.272 -4.783 1.00 0.00 ATOM 7 O MET 1 -10.072 11.479 -10.471 1.00 0.00 ATOM 8 C MET 1 -8.892 11.675 -10.156 1.00 0.00 ATOM 9 N ASP 2 -7.905 10.808 -10.414 1.00 0.00 ATOM 10 CA ASP 2 -8.145 9.559 -11.085 1.00 0.00 ATOM 11 CB ASP 2 -8.038 9.736 -12.601 1.00 0.00 ATOM 12 CG ASP 2 -6.647 10.146 -13.042 1.00 0.00 ATOM 13 OD1 ASP 2 -6.510 10.669 -14.168 1.00 0.00 ATOM 14 OD2 ASP 2 -5.692 9.942 -12.263 1.00 0.00 ATOM 15 O ASP 2 -6.145 8.973 -9.969 1.00 0.00 ATOM 16 C ASP 2 -7.097 8.578 -10.602 1.00 0.00 ATOM 17 N ILE 3 -7.287 7.294 -10.875 1.00 0.00 ATOM 18 CA ILE 3 -6.378 6.265 -10.429 1.00 0.00 ATOM 19 CB ILE 3 -7.024 5.367 -9.359 1.00 0.00 ATOM 20 CG1 ILE 3 -6.007 4.353 -8.828 1.00 0.00 ATOM 21 CG2 ILE 3 -8.202 4.604 -9.944 1.00 0.00 ATOM 22 CD1 ILE 3 -6.457 3.637 -7.574 1.00 0.00 ATOM 23 O ILE 3 -6.820 5.100 -12.466 1.00 0.00 ATOM 24 C ILE 3 -5.986 5.400 -11.626 1.00 0.00 ATOM 25 N ARG 4 -4.723 4.997 -11.671 1.00 0.00 ATOM 26 CA ARG 4 -4.170 4.177 -12.724 1.00 0.00 ATOM 27 CB ARG 4 -3.733 5.044 -13.906 1.00 0.00 ATOM 28 CG ARG 4 -2.639 6.044 -13.571 1.00 0.00 ATOM 29 CD ARG 4 -2.284 6.901 -14.776 1.00 0.00 ATOM 30 NE ARG 4 -1.252 7.886 -14.463 1.00 0.00 ATOM 31 CZ ARG 4 -0.757 8.752 -15.340 1.00 0.00 ATOM 32 NH1 ARG 4 0.180 9.612 -14.966 1.00 0.00 ATOM 33 NH2 ARG 4 -1.198 8.755 -16.591 1.00 0.00 ATOM 34 O ARG 4 -2.496 3.706 -11.067 1.00 0.00 ATOM 35 C ARG 4 -2.953 3.421 -12.167 1.00 0.00 ATOM 36 N THR 5 -2.443 2.461 -12.929 1.00 0.00 ATOM 37 CA THR 5 -1.241 1.730 -12.542 1.00 0.00 ATOM 38 CB THR 5 -0.962 0.556 -13.499 1.00 0.00 ATOM 39 CG2 THR 5 -2.116 -0.434 -13.479 1.00 0.00 ATOM 40 OG1 THR 5 -0.799 1.052 -14.833 1.00 0.00 ATOM 41 O THR 5 -0.016 3.657 -13.325 1.00 0.00 ATOM 42 C THR 5 -0.045 2.681 -12.573 1.00 0.00 ATOM 43 N ILE 6 0.957 2.369 -11.764 1.00 0.00 ATOM 44 CA ILE 6 2.149 3.167 -11.703 1.00 0.00 ATOM 45 CB ILE 6 3.079 2.708 -10.564 1.00 0.00 ATOM 46 CG1 ILE 6 4.156 3.761 -10.297 1.00 0.00 ATOM 47 CG2 ILE 6 3.763 1.399 -10.930 1.00 0.00 ATOM 48 CD1 ILE 6 4.921 3.540 -9.010 1.00 0.00 ATOM 49 O ILE 6 2.831 2.057 -13.715 1.00 0.00 ATOM 50 C ILE 6 2.913 3.055 -13.020 1.00 0.00 ATOM 51 N THR 7 3.673 4.082 -13.364 1.00 0.00 ATOM 52 CA THR 7 4.445 4.027 -14.602 1.00 0.00 ATOM 53 CB THR 7 3.868 4.976 -15.669 1.00 0.00 ATOM 54 CG2 THR 7 2.415 4.634 -15.956 1.00 0.00 ATOM 55 OG1 THR 7 3.944 6.328 -15.202 1.00 0.00 ATOM 56 O THR 7 6.155 5.043 -13.275 1.00 0.00 ATOM 57 C THR 7 5.871 4.435 -14.311 1.00 0.00 ATOM 58 N SER 8 6.761 4.105 -15.241 1.00 0.00 ATOM 59 CA SER 8 8.177 4.425 -15.144 1.00 0.00 ATOM 60 CB SER 8 8.893 4.091 -16.454 1.00 0.00 ATOM 61 OG SER 8 8.875 2.697 -16.704 1.00 0.00 ATOM 62 O SER 8 9.338 6.201 -14.107 1.00 0.00 ATOM 63 C SER 8 8.434 5.877 -14.857 1.00 0.00 ATOM 64 N SER 9 7.648 6.757 -15.466 1.00 0.00 ATOM 65 CA SER 9 7.815 8.186 -15.226 1.00 0.00 ATOM 66 CB SER 9 7.005 8.998 -16.239 1.00 0.00 ATOM 67 OG SER 9 5.614 8.808 -16.049 1.00 0.00 ATOM 68 O SER 9 7.605 9.808 -13.524 1.00 0.00 ATOM 69 C SER 9 7.368 8.654 -13.856 1.00 0.00 ATOM 70 N ASP 10 6.741 7.789 -13.042 1.00 0.00 ATOM 71 CA ASP 10 6.286 8.222 -11.693 1.00 0.00 ATOM 72 CB ASP 10 5.202 7.280 -11.165 1.00 0.00 ATOM 73 CG ASP 10 3.897 7.410 -11.925 1.00 0.00 ATOM 74 OD1 ASP 10 2.828 7.218 -11.307 1.00 0.00 ATOM 75 OD2 ASP 10 3.943 7.704 -13.138 1.00 0.00 ATOM 76 O ASP 10 7.195 8.631 -9.513 1.00 0.00 ATOM 77 C ASP 10 7.426 8.239 -10.635 1.00 0.00 ATOM 78 N TYR 11 8.646 7.843 -10.985 1.00 0.00 ATOM 79 CA TYR 11 9.702 7.786 -9.963 1.00 0.00 ATOM 80 CB TYR 11 11.083 7.860 -10.626 1.00 0.00 ATOM 81 CG TYR 11 12.149 7.551 -9.604 1.00 0.00 ATOM 82 CD1 TYR 11 12.451 6.245 -9.262 1.00 0.00 ATOM 83 CD2 TYR 11 12.862 8.546 -8.977 1.00 0.00 ATOM 84 CE1 TYR 11 13.423 5.919 -8.328 1.00 0.00 ATOM 85 CE2 TYR 11 13.837 8.245 -8.039 1.00 0.00 ATOM 86 CZ TYR 11 14.123 6.936 -7.704 1.00 0.00 ATOM 87 OH TYR 11 15.100 6.634 -6.778 1.00 0.00 ATOM 88 O TYR 11 9.730 8.707 -7.778 1.00 0.00 ATOM 89 C TYR 11 9.821 8.928 -8.953 1.00 0.00 ATOM 90 N GLU 12 10.039 10.147 -9.404 1.00 0.00 ATOM 91 CA GLU 12 10.158 11.289 -8.507 1.00 0.00 ATOM 92 CB GLU 12 10.213 12.594 -9.304 1.00 0.00 ATOM 93 CG GLU 12 10.351 13.840 -8.445 1.00 0.00 ATOM 94 CD GLU 12 10.454 15.108 -9.271 1.00 0.00 ATOM 95 OE1 GLU 12 10.414 15.011 -10.515 1.00 0.00 ATOM 96 OE2 GLU 12 10.573 16.197 -8.673 1.00 0.00 ATOM 97 O GLU 12 9.210 11.379 -6.337 1.00 0.00 ATOM 98 C GLU 12 9.010 11.410 -7.546 1.00 0.00 ATOM 99 N MET 13 7.806 11.558 -8.091 1.00 0.00 ATOM 100 CA MET 13 6.631 11.758 -7.260 1.00 0.00 ATOM 101 CB MET 13 5.386 11.942 -8.130 1.00 0.00 ATOM 102 CG MET 13 5.359 13.247 -8.907 1.00 0.00 ATOM 103 SD MET 13 5.360 14.696 -7.833 1.00 0.00 ATOM 104 CE MET 13 3.742 14.562 -7.080 1.00 0.00 ATOM 105 O MET 13 5.812 10.950 -5.190 1.00 0.00 ATOM 106 C MET 13 6.253 10.664 -6.288 1.00 0.00 ATOM 107 N VAL 14 6.443 9.426 -6.711 1.00 0.00 ATOM 108 CA VAL 14 6.164 8.239 -5.934 1.00 0.00 ATOM 109 CB VAL 14 6.241 6.967 -6.798 1.00 0.00 ATOM 110 CG1 VAL 14 6.127 5.724 -5.930 1.00 0.00 ATOM 111 CG2 VAL 14 5.111 6.946 -7.817 1.00 0.00 ATOM 112 O VAL 14 6.811 7.884 -3.684 1.00 0.00 ATOM 113 C VAL 14 7.180 8.125 -4.817 1.00 0.00 ATOM 114 N THR 15 8.460 8.304 -5.108 1.00 0.00 ATOM 115 CA THR 15 9.434 8.223 -4.020 1.00 0.00 ATOM 116 CB THR 15 10.874 8.403 -4.535 1.00 0.00 ATOM 117 CG2 THR 15 11.862 8.360 -3.381 1.00 0.00 ATOM 118 OG1 THR 15 11.190 7.352 -5.457 1.00 0.00 ATOM 119 O THR 15 9.218 9.155 -1.792 1.00 0.00 ATOM 120 C THR 15 9.115 9.326 -3.027 1.00 0.00 ATOM 121 N SER 16 8.697 10.464 -3.553 1.00 0.00 ATOM 122 CA SER 16 8.366 11.562 -2.686 1.00 0.00 ATOM 123 CB SER 16 8.019 12.806 -3.505 1.00 0.00 ATOM 124 OG SER 16 9.148 13.277 -4.222 1.00 0.00 ATOM 125 O SER 16 7.186 11.550 -0.594 1.00 0.00 ATOM 126 C SER 16 7.154 11.241 -1.787 1.00 0.00 ATOM 127 N VAL 17 6.093 10.623 -2.305 1.00 0.00 ATOM 128 CA VAL 17 4.973 10.367 -1.399 1.00 0.00 ATOM 129 CB VAL 17 3.671 10.091 -2.174 1.00 0.00 ATOM 130 CG1 VAL 17 2.562 9.673 -1.221 1.00 0.00 ATOM 131 CG2 VAL 17 3.220 11.338 -2.920 1.00 0.00 ATOM 132 O VAL 17 4.643 9.100 0.610 1.00 0.00 ATOM 133 C VAL 17 5.202 9.149 -0.483 1.00 0.00 ATOM 134 N LEU 18 6.075 8.221 -0.901 1.00 0.00 ATOM 135 CA LEU 18 6.403 7.033 -0.112 1.00 0.00 ATOM 136 CB LEU 18 6.870 5.930 -1.199 1.00 0.00 ATOM 137 CG LEU 18 7.276 4.507 -0.767 1.00 0.00 ATOM 138 CD1 LEU 18 8.690 4.496 -0.166 1.00 0.00 ATOM 139 CD2 LEU 18 6.280 3.928 0.210 1.00 0.00 ATOM 140 O LEU 18 7.294 6.668 2.067 1.00 0.00 ATOM 141 C LEU 18 7.252 7.411 1.083 1.00 0.00 ATOM 142 N ASN 19 7.920 8.564 0.992 1.00 0.00 ATOM 143 CA ASN 19 8.775 9.036 2.082 1.00 0.00 ATOM 144 CB ASN 19 9.399 10.387 1.728 1.00 0.00 ATOM 145 CG ASN 19 10.441 10.830 2.735 1.00 0.00 ATOM 146 ND2 ASN 19 10.196 11.965 3.378 1.00 0.00 ATOM 147 OD1 ASN 19 11.454 10.158 2.930 1.00 0.00 ATOM 148 O ASN 19 8.463 9.080 4.459 1.00 0.00 ATOM 149 C ASN 19 7.959 9.197 3.356 1.00 0.00 ATOM 150 N GLU 20 6.694 9.498 3.178 1.00 0.00 ATOM 151 CA GLU 20 5.751 9.701 4.272 1.00 0.00 ATOM 152 CB GLU 20 4.467 10.347 3.714 1.00 0.00 ATOM 153 CG GLU 20 3.378 10.692 4.755 1.00 0.00 ATOM 154 CD GLU 20 3.773 11.754 5.785 1.00 0.00 ATOM 155 OE1 GLU 20 2.855 12.258 6.471 1.00 0.00 ATOM 156 OE2 GLU 20 4.976 12.084 5.946 1.00 0.00 ATOM 157 O GLU 20 5.292 8.368 6.229 1.00 0.00 ATOM 158 C GLU 20 5.617 8.388 5.060 1.00 0.00 ATOM 159 N TRP 21 5.881 7.283 4.393 1.00 0.00 ATOM 160 CA TRP 21 5.762 5.988 5.011 1.00 0.00 ATOM 161 CB TRP 21 5.406 4.928 3.967 1.00 0.00 ATOM 162 CG TRP 21 5.160 3.570 4.551 1.00 0.00 ATOM 163 CD1 TRP 21 3.990 3.103 5.075 1.00 0.00 ATOM 164 CD2 TRP 21 6.109 2.503 4.672 1.00 0.00 ATOM 165 CE2 TRP 21 5.442 1.420 5.278 1.00 0.00 ATOM 166 CE3 TRP 21 7.456 2.357 4.328 1.00 0.00 ATOM 167 NE1 TRP 21 4.148 1.812 5.514 1.00 0.00 ATOM 168 CZ2 TRP 21 6.076 0.208 5.547 1.00 0.00 ATOM 169 CZ3 TRP 21 8.081 1.154 4.596 1.00 0.00 ATOM 170 CH2 TRP 21 7.394 0.094 5.199 1.00 0.00 ATOM 171 O TRP 21 7.122 5.207 6.806 1.00 0.00 ATOM 172 C TRP 21 7.086 5.617 5.664 1.00 0.00 ATOM 173 N TRP 22 8.186 5.780 4.952 1.00 0.00 ATOM 174 CA TRP 22 9.454 5.386 5.512 1.00 0.00 ATOM 175 CB TRP 22 9.558 3.862 5.584 1.00 0.00 ATOM 176 CG TRP 22 10.767 3.377 6.322 1.00 0.00 ATOM 177 CD1 TRP 22 11.902 2.847 5.777 1.00 0.00 ATOM 178 CD2 TRP 22 10.965 3.377 7.741 1.00 0.00 ATOM 179 CE2 TRP 22 12.241 2.833 7.985 1.00 0.00 ATOM 180 CE3 TRP 22 10.187 3.782 8.830 1.00 0.00 ATOM 181 NE1 TRP 22 12.795 2.517 6.769 1.00 0.00 ATOM 182 CZ2 TRP 22 12.758 2.684 9.272 1.00 0.00 ATOM 183 CZ3 TRP 22 10.703 3.634 10.103 1.00 0.00 ATOM 184 CH2 TRP 22 11.974 3.090 10.317 1.00 0.00 ATOM 185 O TRP 22 10.447 6.903 3.979 1.00 0.00 ATOM 186 C TRP 22 10.595 5.901 4.665 1.00 0.00 ATOM 187 N GLY 23 11.731 5.205 4.719 1.00 0.00 ATOM 188 CA GLY 23 12.912 5.565 3.953 1.00 0.00 ATOM 189 O GLY 23 12.690 3.686 2.453 1.00 0.00 ATOM 190 C GLY 23 12.868 4.903 2.580 1.00 0.00 ATOM 191 N GLY 24 13.027 5.717 1.540 1.00 0.00 ATOM 192 CA GLY 24 12.981 5.177 0.186 1.00 0.00 ATOM 193 O GLY 24 14.627 4.059 -1.153 1.00 0.00 ATOM 194 C GLY 24 14.370 5.018 -0.419 1.00 0.00 ATOM 195 N ARG 25 15.268 5.948 -0.113 1.00 0.00 ATOM 196 CA ARG 25 16.617 5.844 -0.629 1.00 0.00 ATOM 197 CB ARG 25 17.104 4.395 -0.564 1.00 0.00 ATOM 198 CG ARG 25 17.255 3.853 0.847 1.00 0.00 ATOM 199 CD ARG 25 17.720 2.406 0.836 1.00 0.00 ATOM 200 NE ARG 25 17.852 1.863 2.186 1.00 0.00 ATOM 201 CZ ARG 25 18.154 0.598 2.456 1.00 0.00 ATOM 202 NH1 ARG 25 18.252 0.193 3.716 1.00 0.00 ATOM 203 NH2 ARG 25 18.355 -0.262 1.467 1.00 0.00 ATOM 204 O ARG 25 16.012 6.864 -2.748 1.00 0.00 ATOM 205 C ARG 25 16.857 6.266 -2.073 1.00 0.00 ATOM 206 N GLN 26 18.058 5.960 -2.543 1.00 0.00 ATOM 207 CA GLN 26 18.477 6.287 -3.901 1.00 0.00 ATOM 208 CB GLN 26 20.003 6.309 -4.000 1.00 0.00 ATOM 209 CG GLN 26 20.530 6.725 -5.363 1.00 0.00 ATOM 210 CD GLN 26 22.045 6.798 -5.405 1.00 0.00 ATOM 211 OE1 GLN 26 22.716 6.524 -4.411 1.00 0.00 ATOM 212 NE2 GLN 26 22.586 7.171 -6.559 1.00 0.00 ATOM 213 O GLN 26 18.083 4.042 -4.626 1.00 0.00 ATOM 214 C GLN 26 17.934 5.241 -4.860 1.00 0.00 ATOM 215 N LEU 27 17.293 5.696 -5.941 1.00 0.00 ATOM 216 CA LEU 27 16.768 4.739 -6.924 1.00 0.00 ATOM 217 CB LEU 27 15.300 5.039 -7.232 1.00 0.00 ATOM 218 CG LEU 27 14.327 4.945 -6.056 1.00 0.00 ATOM 219 CD1 LEU 27 12.934 5.390 -6.473 1.00 0.00 ATOM 220 CD2 LEU 27 14.236 3.515 -5.547 1.00 0.00 ATOM 221 O LEU 27 18.127 5.972 -8.426 1.00 0.00 ATOM 222 C LEU 27 17.599 4.863 -8.210 1.00 0.00 ATOM 223 N LYS 28 17.640 3.775 -8.950 1.00 0.00 ATOM 224 CA LYS 28 18.345 3.766 -10.233 1.00 0.00 ATOM 225 CB LYS 28 19.641 2.959 -10.126 1.00 0.00 ATOM 226 CG LYS 28 20.661 3.546 -9.166 1.00 0.00 ATOM 227 CD LYS 28 21.926 2.705 -9.120 1.00 0.00 ATOM 228 CE LYS 28 22.946 3.293 -8.159 1.00 0.00 ATOM 229 NZ LYS 28 24.186 2.471 -8.094 1.00 0.00 ATOM 230 O LYS 28 16.484 2.369 -10.966 1.00 0.00 ATOM 231 C LYS 28 17.432 3.124 -11.303 1.00 0.00 ATOM 232 N GLU 29 17.751 3.464 -12.551 1.00 0.00 ATOM 233 CA GLU 29 17.059 2.880 -13.702 1.00 0.00 ATOM 234 CB GLU 29 17.854 3.126 -14.986 1.00 0.00 ATOM 235 CG GLU 29 17.904 4.582 -15.417 1.00 0.00 ATOM 236 CD GLU 29 18.744 4.794 -16.661 1.00 0.00 ATOM 237 OE1 GLU 29 19.329 3.808 -17.157 1.00 0.00 ATOM 238 OE2 GLU 29 18.818 5.945 -17.140 1.00 0.00 ATOM 239 O GLU 29 15.892 0.809 -14.066 1.00 0.00 ATOM 240 C GLU 29 16.868 1.376 -13.565 1.00 0.00 ATOM 241 N LYS 30 17.793 0.715 -12.896 1.00 0.00 ATOM 242 CA LYS 30 17.676 -0.736 -12.750 1.00 0.00 ATOM 243 CB LYS 30 18.999 -1.336 -12.272 1.00 0.00 ATOM 244 CG LYS 30 18.985 -2.851 -12.144 1.00 0.00 ATOM 245 CD LYS 30 20.344 -3.382 -11.720 1.00 0.00 ATOM 246 CE LYS 30 20.324 -4.895 -11.577 1.00 0.00 ATOM 247 NZ LYS 30 21.653 -5.432 -11.173 1.00 0.00 ATOM 248 O LYS 30 15.793 -2.000 -11.993 1.00 0.00 ATOM 249 C LYS 30 16.607 -1.120 -11.746 1.00 0.00 ATOM 250 N LEU 31 16.633 -0.467 -10.595 1.00 0.00 ATOM 251 CA LEU 31 15.637 -0.759 -9.569 1.00 0.00 ATOM 252 CB LEU 31 15.789 0.201 -8.387 1.00 0.00 ATOM 253 CG LEU 31 16.996 -0.029 -7.477 1.00 0.00 ATOM 254 CD1 LEU 31 17.094 1.067 -6.426 1.00 0.00 ATOM 255 CD2 LEU 31 16.884 -1.366 -6.761 1.00 0.00 ATOM 256 O LEU 31 13.449 -1.502 -10.256 1.00 0.00 ATOM 257 C LEU 31 14.275 -0.579 -10.247 1.00 0.00 ATOM 258 N PRO 32 14.075 0.594 -10.858 1.00 0.00 ATOM 259 CA PRO 32 12.831 0.931 -11.547 1.00 0.00 ATOM 260 CB PRO 32 13.163 2.221 -12.301 1.00 0.00 ATOM 261 CG PRO 32 14.198 2.889 -11.459 1.00 0.00 ATOM 262 CD PRO 32 15.063 1.790 -10.911 1.00 0.00 ATOM 263 O PRO 32 11.111 -0.405 -12.524 1.00 0.00 ATOM 264 C PRO 32 12.307 -0.112 -12.538 1.00 0.00 ATOM 265 N ARG 33 13.184 -0.640 -13.401 1.00 0.00 ATOM 266 CA ARG 33 12.800 -1.657 -14.385 1.00 0.00 ATOM 267 CB ARG 33 13.992 -2.020 -15.272 1.00 0.00 ATOM 268 CG ARG 33 14.403 -0.923 -16.240 1.00 0.00 ATOM 269 CD ARG 33 15.603 -1.342 -17.073 1.00 0.00 ATOM 270 NE ARG 33 16.022 -0.290 -17.997 1.00 0.00 ATOM 271 CZ ARG 33 17.100 -0.363 -18.772 1.00 0.00 ATOM 272 NH1 ARG 33 17.403 0.642 -19.582 1.00 0.00 ATOM 273 NH2 ARG 33 17.871 -1.441 -18.737 1.00 0.00 ATOM 274 O ARG 33 11.419 -3.619 -14.159 1.00 0.00 ATOM 275 C ARG 33 12.316 -2.926 -13.679 1.00 0.00 ATOM 276 N LEU 34 12.930 -3.244 -12.549 1.00 0.00 ATOM 277 CA LEU 34 12.518 -4.412 -11.788 1.00 0.00 ATOM 278 CB LEU 34 13.532 -4.717 -10.684 1.00 0.00 ATOM 279 CG LEU 34 14.892 -5.252 -11.140 1.00 0.00 ATOM 280 CD1 LEU 34 15.839 -5.389 -9.959 1.00 0.00 ATOM 281 CD2 LEU 34 14.740 -6.619 -11.789 1.00 0.00 ATOM 282 O LEU 34 10.237 -4.852 -11.229 1.00 0.00 ATOM 283 C LEU 34 11.160 -4.049 -11.200 1.00 0.00 ATOM 284 N PHE 35 11.026 -2.847 -10.657 1.00 0.00 ATOM 285 CA PHE 35 9.769 -2.381 -10.091 1.00 0.00 ATOM 286 CB PHE 35 9.956 -0.951 -9.547 1.00 0.00 ATOM 287 CG PHE 35 8.660 -0.270 -9.132 1.00 0.00 ATOM 288 CD1 PHE 35 8.094 -0.558 -7.907 1.00 0.00 ATOM 289 CD2 PHE 35 8.004 0.553 -10.035 1.00 0.00 ATOM 290 CE1 PHE 35 6.837 -0.072 -7.606 1.00 0.00 ATOM 291 CE2 PHE 35 6.743 1.025 -9.733 1.00 0.00 ATOM 292 CZ PHE 35 6.158 0.697 -8.524 1.00 0.00 ATOM 293 O PHE 35 7.604 -2.972 -10.902 1.00 0.00 ATOM 294 C PHE 35 8.666 -2.417 -11.145 1.00 0.00 ATOM 295 N PHE 36 8.912 -1.832 -12.323 1.00 0.00 ATOM 296 CA PHE 36 7.868 -1.730 -13.340 1.00 0.00 ATOM 297 CB PHE 36 8.271 -0.702 -14.397 1.00 0.00 ATOM 298 CG PHE 36 8.471 0.691 -13.832 1.00 0.00 ATOM 299 CD1 PHE 36 9.725 1.127 -13.381 1.00 0.00 ATOM 300 CD2 PHE 36 7.384 1.561 -13.745 1.00 0.00 ATOM 301 CE1 PHE 36 9.880 2.438 -12.856 1.00 0.00 ATOM 302 CE2 PHE 36 7.528 2.851 -13.226 1.00 0.00 ATOM 303 CZ PHE 36 8.787 3.295 -12.778 1.00 0.00 ATOM 304 O PHE 36 6.392 -3.407 -14.206 1.00 0.00 ATOM 305 C PHE 36 7.560 -3.078 -13.972 1.00 0.00 ATOM 306 N GLU 37 8.612 -3.847 -14.263 1.00 0.00 ATOM 307 CA GLU 37 8.451 -5.183 -14.825 1.00 0.00 ATOM 308 CB GLU 37 9.828 -5.809 -14.999 1.00 0.00 ATOM 309 CG GLU 37 9.830 -7.247 -15.513 1.00 0.00 ATOM 310 CD GLU 37 9.663 -7.394 -17.014 1.00 0.00 ATOM 311 OE1 GLU 37 9.656 -6.388 -17.771 1.00 0.00 ATOM 312 OE2 GLU 37 9.524 -8.564 -17.439 1.00 0.00 ATOM 313 O GLU 37 6.717 -6.755 -14.352 1.00 0.00 ATOM 314 C GLU 37 7.597 -6.030 -13.891 1.00 0.00 ATOM 315 N HIS 38 7.841 -5.931 -12.581 1.00 0.00 ATOM 316 CA HIS 38 7.089 -6.675 -11.583 1.00 0.00 ATOM 317 CB HIS 38 7.970 -7.766 -10.952 1.00 0.00 ATOM 318 CG HIS 38 7.998 -9.027 -11.761 1.00 0.00 ATOM 319 CD2 HIS 38 8.973 -9.539 -12.555 1.00 0.00 ATOM 320 ND1 HIS 38 6.907 -9.857 -11.930 1.00 0.00 ATOM 321 CE1 HIS 38 7.230 -10.806 -12.807 1.00 0.00 ATOM 322 NE2 HIS 38 8.472 -10.655 -13.212 1.00 0.00 ATOM 323 O HIS 38 6.047 -6.335 -9.441 1.00 0.00 ATOM 324 C HIS 38 6.395 -5.826 -10.510 1.00 0.00 ATOM 325 N PHE 39 6.195 -4.536 -10.777 1.00 0.00 ATOM 326 CA PHE 39 5.493 -3.681 -9.811 1.00 0.00 ATOM 327 CB PHE 39 5.685 -2.445 -9.570 1.00 0.00 ATOM 328 CG PHE 39 5.900 -2.368 -8.083 1.00 0.00 ATOM 329 CD1 PHE 39 5.031 -3.013 -7.209 1.00 0.00 ATOM 330 CD2 PHE 39 6.941 -1.614 -7.555 1.00 0.00 ATOM 331 CE1 PHE 39 5.194 -2.909 -5.828 1.00 0.00 ATOM 332 CE2 PHE 39 7.114 -1.503 -6.177 1.00 0.00 ATOM 333 CZ PHE 39 6.236 -2.151 -5.312 1.00 0.00 ATOM 334 O PHE 39 3.446 -4.114 -11.016 1.00 0.00 ATOM 335 C PHE 39 4.009 -4.017 -9.905 1.00 0.00 ATOM 336 N GLN 40 3.387 -4.235 -8.756 1.00 0.00 ATOM 337 CA GLN 40 1.975 -4.579 -8.676 1.00 0.00 ATOM 338 CB GLN 40 1.806 -5.983 -8.064 1.00 0.00 ATOM 339 CG GLN 40 2.684 -7.092 -8.666 1.00 0.00 ATOM 340 CD GLN 40 2.282 -7.479 -10.079 1.00 0.00 ATOM 341 OE1 GLN 40 3.074 -7.373 -11.024 1.00 0.00 ATOM 342 NE2 GLN 40 1.045 -7.942 -10.230 1.00 0.00 ATOM 343 O GLN 40 0.143 -3.850 -7.293 1.00 0.00 ATOM 344 C GLN 40 1.242 -3.570 -7.782 1.00 0.00 ATOM 345 N ASP 41 0.299 -1.889 -8.387 1.00 0.00 ATOM 346 CA ASP 41 0.756 -0.597 -7.840 1.00 0.00 ATOM 347 CB ASP 41 2.239 -0.401 -8.165 1.00 0.00 ATOM 348 CG ASP 41 2.753 0.960 -7.707 1.00 0.00 ATOM 349 OD1 ASP 41 1.983 1.769 -7.129 1.00 0.00 ATOM 350 OD2 ASP 41 3.944 1.218 -7.938 1.00 0.00 ATOM 351 O ASP 41 0.283 0.974 -9.529 1.00 0.00 ATOM 352 C ASP 41 0.046 0.575 -8.408 1.00 0.00 ATOM 353 N THR 42 -0.821 1.137 -7.589 1.00 0.00 ATOM 354 CA THR 42 -1.651 2.240 -8.004 1.00 0.00 ATOM 355 CB THR 42 -3.097 2.081 -7.495 1.00 0.00 ATOM 356 CG2 THR 42 -3.712 0.799 -8.032 1.00 0.00 ATOM 357 OG1 THR 42 -3.098 2.033 -6.063 1.00 0.00 ATOM 358 O THR 42 -0.593 3.698 -6.491 1.00 0.00 ATOM 359 C THR 42 -1.202 3.589 -7.521 1.00 0.00 ATOM 360 N SER 43 -1.478 4.619 -8.307 1.00 0.00 ATOM 361 CA SER 43 -1.246 5.962 -7.844 1.00 0.00 ATOM 362 CB SER 43 -0.101 6.609 -8.626 1.00 0.00 ATOM 363 OG SER 43 1.116 5.912 -8.418 1.00 0.00 ATOM 364 O SER 43 -3.231 6.419 -9.131 1.00 0.00 ATOM 365 C SER 43 -2.573 6.665 -8.096 1.00 0.00 ATOM 366 N PHE 44 -2.997 7.496 -7.136 1.00 0.00 ATOM 367 CA PHE 44 -4.172 8.299 -7.339 1.00 0.00 ATOM 368 CB PHE 44 -4.984 8.397 -6.046 1.00 0.00 ATOM 369 CG PHE 44 -6.229 9.228 -6.174 1.00 0.00 ATOM 370 CD1 PHE 44 -7.362 8.716 -6.782 1.00 0.00 ATOM 371 CD2 PHE 44 -6.267 10.523 -5.688 1.00 0.00 ATOM 372 CE1 PHE 44 -8.507 9.480 -6.900 1.00 0.00 ATOM 373 CE2 PHE 44 -7.412 11.288 -5.805 1.00 0.00 ATOM 374 CZ PHE 44 -8.528 10.771 -6.408 1.00 0.00 ATOM 375 O PHE 44 -2.599 10.105 -7.072 1.00 0.00 ATOM 376 C PHE 44 -3.527 9.622 -7.758 1.00 0.00 ATOM 377 N ILE 45 -3.976 10.183 -8.893 1.00 0.00 ATOM 378 CA ILE 45 -3.416 11.418 -9.413 1.00 0.00 ATOM 379 CB ILE 45 -2.909 11.244 -10.857 1.00 0.00 ATOM 380 CG1 ILE 45 -1.799 10.192 -10.909 1.00 0.00 ATOM 381 CG2 ILE 45 -2.355 12.556 -11.388 1.00 0.00 ATOM 382 CD1 ILE 45 -1.415 9.780 -12.313 1.00 0.00 ATOM 383 O ILE 45 -5.517 12.461 -9.872 1.00 0.00 ATOM 384 C ILE 45 -4.350 12.598 -9.472 1.00 0.00 ATOM 385 N THR 46 -3.831 13.761 -9.091 1.00 0.00 ATOM 386 CA THR 46 -4.619 14.985 -9.203 1.00 0.00 ATOM 387 CB THR 46 -4.029 16.116 -8.340 1.00 0.00 ATOM 388 CG2 THR 46 -4.870 17.377 -8.467 1.00 0.00 ATOM 389 OG1 THR 46 -4.005 15.711 -6.966 1.00 0.00 ATOM 390 O THR 46 -3.509 15.677 -11.240 1.00 0.00 ATOM 391 C THR 46 -4.567 15.352 -10.703 1.00 0.00 ATOM 392 N SER 47 -5.713 15.266 -11.363 1.00 0.00 ATOM 393 CA SER 47 -5.810 15.556 -12.771 1.00 0.00 ATOM 394 CB SER 47 -7.254 15.397 -13.252 1.00 0.00 ATOM 395 OG SER 47 -8.101 16.364 -12.655 1.00 0.00 ATOM 396 O SER 47 -4.864 17.263 -14.190 1.00 0.00 ATOM 397 C SER 47 -5.369 16.992 -13.106 1.00 0.00 ATOM 398 N GLU 48 -5.561 17.893 -12.158 1.00 0.00 ATOM 399 CA GLU 48 -5.236 19.310 -12.313 1.00 0.00 ATOM 400 CB GLU 48 -5.406 20.047 -10.983 1.00 0.00 ATOM 401 CG GLU 48 -6.851 20.193 -10.534 1.00 0.00 ATOM 402 CD GLU 48 -6.977 20.881 -9.189 1.00 0.00 ATOM 403 OE1 GLU 48 -5.931 21.198 -8.584 1.00 0.00 ATOM 404 OE2 GLU 48 -8.121 21.103 -8.740 1.00 0.00 ATOM 405 O GLU 48 -3.616 20.566 -13.544 1.00 0.00 ATOM 406 C GLU 48 -3.827 19.646 -12.773 1.00 0.00 ATOM 407 N HIS 49 -2.862 18.904 -12.253 1.00 0.00 ATOM 408 CA HIS 49 -1.465 19.144 -12.534 1.00 0.00 ATOM 409 CB HIS 49 -0.818 19.932 -11.394 1.00 0.00 ATOM 410 CG HIS 49 -1.459 21.259 -11.135 1.00 0.00 ATOM 411 CD2 HIS 49 -1.376 22.586 -11.727 1.00 0.00 ATOM 412 ND1 HIS 49 -2.381 21.458 -10.130 1.00 0.00 ATOM 413 CE1 HIS 49 -2.777 22.743 -10.145 1.00 0.00 ATOM 414 NE2 HIS 49 -2.177 23.426 -11.101 1.00 0.00 ATOM 415 O HIS 49 0.466 17.769 -12.614 1.00 0.00 ATOM 416 C HIS 49 -0.751 17.819 -12.686 1.00 0.00 ATOM 417 N ASN 50 -1.511 16.754 -12.908 1.00 0.00 ATOM 418 CA ASN 50 -0.924 15.422 -12.998 1.00 0.00 ATOM 419 CB ASN 50 -0.183 15.252 -14.326 1.00 0.00 ATOM 420 CG ASN 50 -1.115 15.294 -15.521 1.00 0.00 ATOM 421 ND2 ASN 50 -0.960 16.317 -16.355 1.00 0.00 ATOM 422 OD1 ASN 50 -1.962 14.417 -15.692 1.00 0.00 ATOM 423 O ASN 50 1.216 14.690 -12.115 1.00 0.00 ATOM 424 C ASN 50 0.096 15.146 -11.858 1.00 0.00 ATOM 425 N SER 51 -0.300 15.418 -10.605 1.00 0.00 ATOM 426 CA SER 51 0.574 15.183 -9.463 1.00 0.00 ATOM 427 CB SER 51 0.630 16.422 -8.568 1.00 0.00 ATOM 428 OG SER 51 1.226 17.514 -9.245 1.00 0.00 ATOM 429 O SER 51 -1.168 13.906 -8.482 1.00 0.00 ATOM 430 C SER 51 0.036 14.023 -8.673 1.00 0.00 ATOM 431 N MET 52 0.944 13.150 -8.251 1.00 0.00 ATOM 432 CA MET 52 0.603 11.945 -7.500 1.00 0.00 ATOM 433 CB MET 52 1.822 11.030 -7.375 1.00 0.00 ATOM 434 CG MET 52 1.533 9.702 -6.694 1.00 0.00 ATOM 435 SD MET 52 2.991 8.647 -6.579 1.00 0.00 ATOM 436 CE MET 52 3.231 8.213 -8.300 1.00 0.00 ATOM 437 O MET 52 0.855 12.958 -5.374 1.00 0.00 ATOM 438 C MET 52 0.135 12.335 -6.120 1.00 0.00 ATOM 439 N THR 53 -1.115 12.002 -5.810 1.00 0.00 ATOM 440 CA THR 53 -1.669 12.368 -4.518 1.00 0.00 ATOM 441 CB THR 53 -3.160 12.741 -4.627 1.00 0.00 ATOM 442 CG2 THR 53 -3.347 13.911 -5.580 1.00 0.00 ATOM 443 OG1 THR 53 -3.901 11.618 -5.120 1.00 0.00 ATOM 444 O THR 53 -1.623 11.464 -2.322 1.00 0.00 ATOM 445 C THR 53 -1.559 11.216 -3.512 1.00 0.00 ATOM 446 N GLY 54 -1.342 9.987 -4.001 1.00 0.00 ATOM 447 CA GLY 54 -1.281 8.806 -3.150 1.00 0.00 ATOM 448 O GLY 54 -1.123 7.483 -5.114 1.00 0.00 ATOM 449 C GLY 54 -0.923 7.553 -3.924 1.00 0.00 ATOM 450 N PHE 55 -0.366 6.564 -3.235 1.00 0.00 ATOM 451 CA PHE 55 -0.012 5.309 -3.865 1.00 0.00 ATOM 452 CB PHE 55 1.437 5.305 -4.377 1.00 0.00 ATOM 453 CG PHE 55 2.511 5.102 -3.317 1.00 0.00 ATOM 454 CD1 PHE 55 2.710 6.034 -2.303 1.00 0.00 ATOM 455 CD2 PHE 55 3.338 3.975 -3.357 1.00 0.00 ATOM 456 CE1 PHE 55 3.709 5.850 -1.345 1.00 0.00 ATOM 457 CE2 PHE 55 4.346 3.779 -2.403 1.00 0.00 ATOM 458 CZ PHE 55 4.531 4.718 -1.393 1.00 0.00 ATOM 459 O PHE 55 -0.359 4.426 -1.653 1.00 0.00 ATOM 460 C PHE 55 -0.325 4.209 -2.869 1.00 0.00 ATOM 461 N LEU 56 -0.573 3.036 -3.408 1.00 0.00 ATOM 462 CA LEU 56 -0.886 1.861 -2.625 1.00 0.00 ATOM 463 CB LEU 56 -2.323 1.930 -2.106 1.00 0.00 ATOM 464 CG LEU 56 -2.812 0.726 -1.299 1.00 0.00 ATOM 465 CD1 LEU 56 -2.000 0.569 -0.023 1.00 0.00 ATOM 466 CD2 LEU 56 -4.274 0.893 -0.914 1.00 0.00 ATOM 467 O LEU 56 -0.799 0.865 -4.785 1.00 0.00 ATOM 468 C LEU 56 -0.702 0.686 -3.580 1.00 0.00 ATOM 469 N ILE 57 -0.422 -0.508 -3.059 1.00 0.00 ATOM 470 CA ILE 57 -0.229 -1.709 -3.895 1.00 0.00 ATOM 471 CB ILE 57 1.273 -2.121 -3.985 1.00 0.00 ATOM 472 CG1 ILE 57 1.819 -2.584 -2.627 1.00 0.00 ATOM 473 CG2 ILE 57 2.065 -0.936 -4.428 1.00 0.00 ATOM 474 CD1 ILE 57 3.259 -3.125 -2.739 1.00 0.00 ATOM 475 O ILE 57 -1.362 -2.910 -2.127 1.00 0.00 ATOM 476 C ILE 57 -1.030 -2.881 -3.320 1.00 0.00 ATOM 477 N GLY 58 -1.395 -3.826 -4.169 1.00 0.00 ATOM 478 CA GLY 58 -2.029 -5.021 -3.655 1.00 0.00 ATOM 479 O GLY 58 -1.347 -6.159 -5.644 1.00 0.00 ATOM 480 C GLY 58 -1.374 -6.143 -4.425 1.00 0.00 ATOM 481 N PHE 59 -0.761 -7.041 -3.677 1.00 0.00 ATOM 482 CA PHE 59 -0.058 -8.157 -4.204 1.00 0.00 ATOM 483 CB PHE 59 1.220 -8.412 -3.403 1.00 0.00 ATOM 484 CG PHE 59 2.020 -9.584 -3.894 1.00 0.00 ATOM 485 CD1 PHE 59 2.815 -9.476 -5.022 1.00 0.00 ATOM 486 CD2 PHE 59 1.978 -10.798 -3.228 1.00 0.00 ATOM 487 CE1 PHE 59 3.549 -10.554 -5.475 1.00 0.00 ATOM 488 CE2 PHE 59 2.713 -11.876 -3.681 1.00 0.00 ATOM 489 CZ PHE 59 3.497 -11.759 -4.799 1.00 0.00 ATOM 490 O PHE 59 -1.552 -9.670 -3.106 1.00 0.00 ATOM 491 C PHE 59 -0.927 -9.392 -4.136 1.00 0.00 ATOM 492 N GLN 60 -0.966 -10.141 -5.226 1.00 0.00 ATOM 493 CA GLN 60 -1.786 -11.340 -5.297 1.00 0.00 ATOM 494 CB GLN 60 -2.878 -11.180 -6.357 1.00 0.00 ATOM 495 CG GLN 60 -3.791 -12.387 -6.496 1.00 0.00 ATOM 496 CD GLN 60 -4.898 -12.167 -7.508 1.00 0.00 ATOM 497 OE1 GLN 60 -4.984 -11.108 -8.129 1.00 0.00 ATOM 498 NE2 GLN 60 -5.751 -13.171 -7.676 1.00 0.00 ATOM 499 O GLN 60 -0.271 -12.547 -6.700 1.00 0.00 ATOM 500 C GLN 60 -0.936 -12.544 -5.661 1.00 0.00 ATOM 501 N SER 61 -0.956 -13.556 -4.795 1.00 0.00 ATOM 502 CA SER 61 -0.193 -14.789 -5.004 1.00 0.00 ATOM 503 CB SER 61 0.261 -15.371 -3.664 1.00 0.00 ATOM 504 OG SER 61 1.166 -14.499 -3.009 1.00 0.00 ATOM 505 O SER 61 -2.222 -15.988 -5.441 1.00 0.00 ATOM 506 C SER 61 -1.033 -15.843 -5.717 1.00 0.00 ATOM 507 N GLN 62 -0.395 -16.576 -6.624 1.00 0.00 ATOM 508 CA GLN 62 -1.072 -17.623 -7.387 1.00 0.00 ATOM 509 CB GLN 62 -0.204 -18.074 -8.565 1.00 0.00 ATOM 510 CG GLN 62 0.002 -17.006 -9.627 1.00 0.00 ATOM 511 CD GLN 62 0.920 -17.466 -10.743 1.00 0.00 ATOM 512 OE1 GLN 62 1.431 -18.585 -10.718 1.00 0.00 ATOM 513 NE2 GLN 62 1.132 -16.600 -11.727 1.00 0.00 ATOM 514 O GLN 62 -2.178 -19.700 -6.898 1.00 0.00 ATOM 515 C GLN 62 -1.366 -18.855 -6.526 1.00 0.00 ATOM 516 N SER 63 -0.713 -18.976 -5.371 1.00 0.00 ATOM 517 CA SER 63 -0.892 -20.108 -4.472 1.00 0.00 ATOM 518 CB SER 63 -0.142 -19.873 -3.159 1.00 0.00 ATOM 519 OG SER 63 -0.315 -20.964 -2.271 1.00 0.00 ATOM 520 O SER 63 -2.869 -21.573 -4.275 1.00 0.00 ATOM 521 C SER 63 -2.335 -20.468 -4.033 1.00 0.00 ATOM 522 N ASP 64 -2.996 -19.472 -3.474 1.00 0.00 ATOM 523 CA ASP 64 -4.338 -19.670 -2.938 1.00 0.00 ATOM 524 CB ASP 64 -4.466 -19.016 -1.560 1.00 0.00 ATOM 525 CG ASP 64 -3.559 -19.654 -0.526 1.00 0.00 ATOM 526 OD1 ASP 64 -3.759 -20.847 -0.217 1.00 0.00 ATOM 527 OD2 ASP 64 -2.649 -18.960 -0.025 1.00 0.00 ATOM 528 O ASP 64 -5.214 -18.046 -4.492 1.00 0.00 ATOM 529 C ASP 64 -5.443 -19.066 -3.829 1.00 0.00 ATOM 530 N PRO 65 -6.602 -19.692 -3.898 1.00 0.00 ATOM 531 CA PRO 65 -7.698 -19.154 -4.734 1.00 0.00 ATOM 532 CB PRO 65 -8.832 -20.166 -4.554 1.00 0.00 ATOM 533 CG PRO 65 -8.637 -20.703 -3.177 1.00 0.00 ATOM 534 CD PRO 65 -7.156 -20.898 -3.010 1.00 0.00 ATOM 535 O PRO 65 -7.992 -17.483 -3.022 1.00 0.00 ATOM 536 C PRO 65 -8.072 -17.773 -4.230 1.00 0.00 ATOM 537 N GLU 66 -6.928 -17.516 -3.952 1.00 0.00 ATOM 538 CA GLU 66 -6.142 -16.315 -4.106 1.00 0.00 ATOM 539 CB GLU 66 -6.619 -15.514 -5.319 1.00 0.00 ATOM 540 CG GLU 66 -6.390 -16.210 -6.651 1.00 0.00 ATOM 541 CD GLU 66 -6.923 -15.411 -7.824 1.00 0.00 ATOM 542 OE1 GLU 66 -7.518 -14.338 -7.591 1.00 0.00 ATOM 543 OE2 GLU 66 -6.746 -15.859 -8.976 1.00 0.00 ATOM 544 O GLU 66 -7.396 -15.284 -2.306 1.00 0.00 ATOM 545 C GLU 66 -6.292 -15.458 -2.843 1.00 0.00 ATOM 546 N THR 67 -5.175 -14.928 -2.363 1.00 0.00 ATOM 547 CA THR 67 -5.246 -14.046 -1.228 1.00 0.00 ATOM 548 CB THR 67 -4.554 -14.656 0.005 1.00 0.00 ATOM 549 CG2 THR 67 -4.647 -13.708 1.191 1.00 0.00 ATOM 550 OG1 THR 67 -5.189 -15.894 0.350 1.00 0.00 ATOM 551 O THR 67 -3.403 -12.770 -2.116 1.00 0.00 ATOM 552 C THR 67 -4.543 -12.752 -1.628 1.00 0.00 ATOM 553 N ALA 68 -5.215 -11.645 -1.420 1.00 0.00 ATOM 554 CA ALA 68 -4.615 -10.353 -1.723 1.00 0.00 ATOM 555 CB ALA 68 -5.683 -9.361 -2.160 1.00 0.00 ATOM 556 O ALA 68 -4.271 -9.966 0.662 1.00 0.00 ATOM 557 C ALA 68 -3.887 -9.749 -0.496 1.00 0.00 ATOM 558 N TYR 69 -2.823 -9.002 -0.743 1.00 0.00 ATOM 559 CA TYR 69 -2.068 -8.409 0.334 1.00 0.00 ATOM 560 CB TYR 69 -0.695 -9.072 0.456 1.00 0.00 ATOM 561 CG TYR 69 -0.755 -10.549 0.774 1.00 0.00 ATOM 562 CD1 TYR 69 -0.635 -11.500 -0.232 1.00 0.00 ATOM 563 CD2 TYR 69 -0.931 -10.989 2.080 1.00 0.00 ATOM 564 CE1 TYR 69 -0.689 -12.851 0.050 1.00 0.00 ATOM 565 CE2 TYR 69 -0.987 -12.336 2.380 1.00 0.00 ATOM 566 CZ TYR 69 -0.864 -13.269 1.352 1.00 0.00 ATOM 567 OH TYR 69 -0.917 -14.615 1.635 1.00 0.00 ATOM 568 O TYR 69 -1.159 -6.533 -0.871 1.00 0.00 ATOM 569 C TYR 69 -1.894 -6.918 0.027 1.00 0.00 ATOM 570 N ILE 70 -2.575 -6.074 0.774 1.00 0.00 ATOM 571 CA ILE 70 -2.415 -4.641 0.550 1.00 0.00 ATOM 572 CB ILE 70 -3.602 -3.845 1.125 1.00 0.00 ATOM 573 CG1 ILE 70 -4.904 -4.257 0.436 1.00 0.00 ATOM 574 CG2 ILE 70 -3.394 -2.353 0.911 1.00 0.00 ATOM 575 CD1 ILE 70 -6.147 -3.708 1.104 1.00 0.00 ATOM 576 O ILE 70 -0.953 -4.384 2.397 1.00 0.00 ATOM 577 C ILE 70 -1.136 -4.154 1.226 1.00 0.00 ATOM 578 N HIS 71 -0.251 -3.513 0.472 1.00 0.00 ATOM 579 CA HIS 71 1.039 -3.044 0.977 1.00 0.00 ATOM 580 CB HIS 71 2.180 -3.874 0.384 1.00 0.00 ATOM 581 CG HIS 71 2.130 -5.322 0.759 1.00 0.00 ATOM 582 CD2 HIS 71 2.814 -6.532 0.323 1.00 0.00 ATOM 583 ND1 HIS 71 1.289 -5.811 1.735 1.00 0.00 ATOM 584 CE1 HIS 71 1.470 -7.139 1.845 1.00 0.00 ATOM 585 NE2 HIS 71 2.383 -7.578 1.000 1.00 0.00 ATOM 586 O HIS 71 0.692 -1.044 -0.302 1.00 0.00 ATOM 587 C HIS 71 1.308 -1.585 0.625 1.00 0.00 ATOM 588 N PHE 72 2.261 -0.977 1.347 1.00 0.00 ATOM 589 CA PHE 72 2.735 0.385 1.092 1.00 0.00 ATOM 590 CB PHE 72 3.658 0.412 -0.127 1.00 0.00 ATOM 591 CG PHE 72 4.906 -0.407 0.040 1.00 0.00 ATOM 592 CD1 PHE 72 4.984 -1.689 -0.476 1.00 0.00 ATOM 593 CD2 PHE 72 6.002 0.103 0.714 1.00 0.00 ATOM 594 CE1 PHE 72 6.132 -2.444 -0.323 1.00 0.00 ATOM 595 CE2 PHE 72 7.150 -0.652 0.868 1.00 0.00 ATOM 596 CZ PHE 72 7.217 -1.919 0.353 1.00 0.00 ATOM 597 O PHE 72 1.791 2.160 -0.250 1.00 0.00 ATOM 598 C PHE 72 1.745 1.501 0.799 1.00 0.00 ATOM 599 N SER 73 0.850 1.724 1.747 1.00 0.00 ATOM 600 CA SER 73 -0.145 2.747 1.580 1.00 0.00 ATOM 601 CB SER 73 -1.363 2.458 2.461 1.00 0.00 ATOM 602 OG SER 73 -2.308 3.511 2.385 1.00 0.00 ATOM 603 O SER 73 0.838 4.235 3.042 1.00 0.00 ATOM 604 C SER 73 0.384 4.080 1.954 1.00 0.00 ATOM 605 N GLY 74 0.312 5.060 1.071 1.00 0.00 ATOM 606 CA GLY 74 0.819 6.373 1.449 1.00 0.00 ATOM 607 O GLY 74 -0.124 7.467 -0.496 1.00 0.00 ATOM 608 C GLY 74 0.032 7.465 0.744 1.00 0.00 ATOM 609 N VAL 75 -0.499 8.368 1.549 1.00 0.00 ATOM 610 CA VAL 75 -1.208 9.505 1.038 1.00 0.00 ATOM 611 CB VAL 75 -2.445 9.830 1.895 1.00 0.00 ATOM 612 CG1 VAL 75 -3.144 11.075 1.370 1.00 0.00 ATOM 613 CG2 VAL 75 -3.433 8.675 1.866 1.00 0.00 ATOM 614 O VAL 75 0.485 10.870 2.086 1.00 0.00 ATOM 615 C VAL 75 -0.191 10.653 1.086 1.00 0.00 ATOM 616 N HIS 76 -0.049 11.371 -0.018 1.00 0.00 ATOM 617 CA HIS 76 0.928 12.450 -0.080 1.00 0.00 ATOM 618 CB HIS 76 0.951 13.071 -1.478 1.00 0.00 ATOM 619 CG HIS 76 2.030 14.091 -1.668 1.00 0.00 ATOM 620 CD2 HIS 76 2.105 15.545 -1.621 1.00 0.00 ATOM 621 ND1 HIS 76 3.332 13.752 -1.964 1.00 0.00 ATOM 622 CE1 HIS 76 4.064 14.875 -2.075 1.00 0.00 ATOM 623 NE2 HIS 76 3.334 15.955 -1.869 1.00 0.00 ATOM 624 O HIS 76 -0.607 13.737 1.224 1.00 0.00 ATOM 625 C HIS 76 0.569 13.521 0.926 1.00 0.00 ATOM 626 N PRO 77 1.585 14.179 1.463 1.00 0.00 ATOM 627 CA PRO 77 1.378 15.191 2.497 1.00 0.00 ATOM 628 CB PRO 77 2.782 15.734 2.770 1.00 0.00 ATOM 629 CG PRO 77 3.694 14.607 2.417 1.00 0.00 ATOM 630 CD PRO 77 3.085 13.940 1.215 1.00 0.00 ATOM 631 O PRO 77 -0.303 16.816 3.025 1.00 0.00 ATOM 632 C PRO 77 0.460 16.362 2.164 1.00 0.00 ATOM 633 N ASP 78 0.515 16.859 0.936 1.00 0.00 ATOM 634 CA ASP 78 -0.359 17.988 0.591 1.00 0.00 ATOM 635 CB ASP 78 0.191 18.739 -0.624 1.00 0.00 ATOM 636 CG ASP 78 1.468 19.494 -0.313 1.00 0.00 ATOM 637 OD1 ASP 78 1.692 20.559 -0.924 1.00 0.00 ATOM 638 OD2 ASP 78 2.246 19.018 0.541 1.00 0.00 ATOM 639 O ASP 78 -2.649 18.329 -0.082 1.00 0.00 ATOM 640 C ASP 78 -1.775 17.518 0.252 1.00 0.00 ATOM 641 N PHE 79 -2.000 16.210 0.334 1.00 0.00 ATOM 642 CA PHE 79 -3.282 15.680 -0.044 1.00 0.00 ATOM 643 CB PHE 79 -3.127 14.651 -1.167 1.00 0.00 ATOM 644 CG PHE 79 -2.533 15.215 -2.426 1.00 0.00 ATOM 645 CD1 PHE 79 -1.184 15.066 -2.699 1.00 0.00 ATOM 646 CD2 PHE 79 -3.323 15.892 -3.338 1.00 0.00 ATOM 647 CE1 PHE 79 -0.638 15.584 -3.858 1.00 0.00 ATOM 648 CE2 PHE 79 -2.776 16.410 -4.497 1.00 0.00 ATOM 649 CZ PHE 79 -1.439 16.259 -4.759 1.00 0.00 ATOM 650 O PHE 79 -5.025 14.396 0.890 1.00 0.00 ATOM 651 C PHE 79 -3.986 15.000 1.075 1.00 0.00 ATOM 652 N ARG 80 -3.424 15.104 2.260 1.00 0.00 ATOM 653 CA ARG 80 -4.029 14.451 3.403 1.00 0.00 ATOM 654 CB ARG 80 -3.129 14.580 4.633 1.00 0.00 ATOM 655 CG ARG 80 -1.816 13.822 4.524 1.00 0.00 ATOM 656 CD ARG 80 -0.964 14.010 5.769 1.00 0.00 ATOM 657 NE ARG 80 0.311 13.302 5.672 1.00 0.00 ATOM 658 CZ ARG 80 1.277 13.376 6.581 1.00 0.00 ATOM 659 NH1 ARG 80 2.402 12.697 6.409 1.00 0.00 ATOM 660 NH2 ARG 80 1.116 14.130 7.660 1.00 0.00 ATOM 661 O ARG 80 -5.625 16.203 3.328 1.00 0.00 ATOM 662 C ARG 80 -5.346 15.069 3.716 1.00 0.00 ATOM 663 N LYS 81 -6.146 14.295 4.426 1.00 0.00 ATOM 664 CA LYS 81 -7.467 14.712 4.834 1.00 0.00 ATOM 665 CB LYS 81 -7.398 16.035 5.599 1.00 0.00 ATOM 666 CG LYS 81 -6.568 15.975 6.870 1.00 0.00 ATOM 667 CD LYS 81 -6.555 17.317 7.585 1.00 0.00 ATOM 668 CE LYS 81 -5.724 17.257 8.857 1.00 0.00 ATOM 669 NZ LYS 81 -5.691 18.569 9.560 1.00 0.00 ATOM 670 O LYS 81 -9.492 15.554 4.041 1.00 0.00 ATOM 671 C LYS 81 -8.490 14.950 3.747 1.00 0.00 ATOM 672 N MET 82 -8.264 14.512 2.509 1.00 0.00 ATOM 673 CA MET 82 -9.273 14.740 1.461 1.00 0.00 ATOM 674 CB MET 82 -8.606 15.229 0.173 1.00 0.00 ATOM 675 CG MET 82 -7.878 16.556 0.318 1.00 0.00 ATOM 676 SD MET 82 -8.978 17.906 0.783 1.00 0.00 ATOM 677 CE MET 82 -9.963 18.069 -0.704 1.00 0.00 ATOM 678 O MET 82 -10.755 13.472 0.126 1.00 0.00 ATOM 679 C MET 82 -10.046 13.488 1.119 1.00 0.00 ATOM 680 N GLN 83 -10.560 11.897 2.039 1.00 0.00 ATOM 681 CA GLN 83 -10.995 10.602 1.559 1.00 0.00 ATOM 682 CB GLN 83 -12.359 10.715 0.873 1.00 0.00 ATOM 683 CG GLN 83 -13.488 11.127 1.802 1.00 0.00 ATOM 684 CD GLN 83 -14.808 11.295 1.076 1.00 0.00 ATOM 685 OE1 GLN 83 -14.884 11.126 -0.142 1.00 0.00 ATOM 686 NE2 GLN 83 -15.855 11.628 1.822 1.00 0.00 ATOM 687 O GLN 83 -10.393 8.932 0.016 1.00 0.00 ATOM 688 C GLN 83 -10.068 9.963 0.556 1.00 0.00 ATOM 689 N ILE 84 -8.932 10.582 0.307 1.00 0.00 ATOM 690 CA ILE 84 -7.993 10.013 -0.707 1.00 0.00 ATOM 691 CB ILE 84 -6.880 11.016 -0.940 1.00 0.00 ATOM 692 CG1 ILE 84 -7.363 12.286 -1.677 1.00 0.00 ATOM 693 CG2 ILE 84 -5.692 10.440 -1.723 1.00 0.00 ATOM 694 CD1 ILE 84 -6.431 13.449 -1.599 1.00 0.00 ATOM 695 O ILE 84 -7.423 7.672 -0.987 1.00 0.00 ATOM 696 C ILE 84 -7.504 8.640 -0.236 1.00 0.00 ATOM 697 N GLY 85 -7.214 8.501 1.061 1.00 0.00 ATOM 698 CA GLY 85 -6.772 7.157 1.541 1.00 0.00 ATOM 699 O GLY 85 -7.755 5.025 0.990 1.00 0.00 ATOM 700 C GLY 85 -7.899 6.165 1.460 1.00 0.00 ATOM 701 N LYS 86 -9.113 6.514 1.890 1.00 0.00 ATOM 702 CA LYS 86 -10.233 5.571 1.801 1.00 0.00 ATOM 703 CB LYS 86 -11.492 6.232 2.410 1.00 0.00 ATOM 704 CG LYS 86 -12.678 5.293 2.210 1.00 0.00 ATOM 705 CD LYS 86 -13.856 5.811 2.988 1.00 0.00 ATOM 706 CE LYS 86 -13.629 5.675 4.490 1.00 0.00 ATOM 707 NZ LYS 86 -15.000 5.848 5.107 1.00 0.00 ATOM 708 O LYS 86 -10.843 3.937 0.113 1.00 0.00 ATOM 709 C LYS 86 -10.524 5.109 0.406 1.00 0.00 ATOM 710 N GLN 87 -10.449 6.068 -0.547 1.00 0.00 ATOM 711 CA GLN 87 -10.746 5.730 -1.954 1.00 0.00 ATOM 712 CB GLN 87 -10.705 6.985 -2.828 1.00 0.00 ATOM 713 CG GLN 87 -11.840 7.962 -2.566 1.00 0.00 ATOM 714 CD GLN 87 -11.729 9.222 -3.401 1.00 0.00 ATOM 715 OE1 GLN 87 -10.781 9.387 -4.170 1.00 0.00 ATOM 716 NE2 GLN 87 -12.699 10.116 -3.251 1.00 0.00 ATOM 717 O GLN 87 -10.075 3.811 -3.176 1.00 0.00 ATOM 718 C GLN 87 -9.719 4.742 -2.466 1.00 0.00 ATOM 719 N LEU 88 -8.445 4.955 -2.097 1.00 0.00 ATOM 720 CA LEU 88 -7.363 4.076 -2.568 1.00 0.00 ATOM 721 CB LEU 88 -6.013 4.552 -2.028 1.00 0.00 ATOM 722 CG LEU 88 -5.457 5.842 -2.634 1.00 0.00 ATOM 723 CD1 LEU 88 -4.182 6.265 -1.921 1.00 0.00 ATOM 724 CD2 LEU 88 -5.136 5.648 -4.109 1.00 0.00 ATOM 725 O LEU 88 -7.493 1.674 -2.914 1.00 0.00 ATOM 726 C LEU 88 -7.567 2.623 -2.107 1.00 0.00 ATOM 727 N TYR 89 -7.847 2.461 -0.824 1.00 0.00 ATOM 728 CA TYR 89 -8.085 1.145 -0.265 1.00 0.00 ATOM 729 CB TYR 89 -8.388 1.244 1.231 1.00 0.00 ATOM 730 CG TYR 89 -7.172 1.529 2.084 1.00 0.00 ATOM 731 CD1 TYR 89 -6.886 2.820 2.506 1.00 0.00 ATOM 732 CD2 TYR 89 -6.316 0.504 2.465 1.00 0.00 ATOM 733 CE1 TYR 89 -5.778 3.090 3.286 1.00 0.00 ATOM 734 CE2 TYR 89 -5.202 0.755 3.245 1.00 0.00 ATOM 735 CZ TYR 89 -4.938 2.061 3.654 1.00 0.00 ATOM 736 OH TYR 89 -3.833 2.327 4.430 1.00 0.00 ATOM 737 O TYR 89 -9.207 -0.602 -1.468 1.00 0.00 ATOM 738 C TYR 89 -9.280 0.532 -0.992 1.00 0.00 ATOM 739 N ASP 90 -10.367 1.272 -1.111 1.00 0.00 ATOM 740 CA ASP 90 -11.544 0.731 -1.786 1.00 0.00 ATOM 741 CB ASP 90 -12.611 1.814 -1.954 1.00 0.00 ATOM 742 CG ASP 90 -13.271 2.190 -0.642 1.00 0.00 ATOM 743 OD1 ASP 90 -14.258 2.954 -0.671 1.00 0.00 ATOM 744 OD2 ASP 90 -12.801 1.720 0.415 1.00 0.00 ATOM 745 O ASP 90 -11.706 -0.850 -3.522 1.00 0.00 ATOM 746 C ASP 90 -11.221 0.207 -3.136 1.00 0.00 ATOM 747 N VAL 91 -10.404 0.939 -3.880 1.00 0.00 ATOM 748 CA VAL 91 -9.983 0.486 -5.203 1.00 0.00 ATOM 749 CB VAL 91 -9.062 1.514 -5.885 1.00 0.00 ATOM 750 CG1 VAL 91 -8.470 0.937 -7.161 1.00 0.00 ATOM 751 CG2 VAL 91 -9.840 2.771 -6.242 1.00 0.00 ATOM 752 O VAL 91 -9.436 -1.763 -5.853 1.00 0.00 ATOM 753 C VAL 91 -9.220 -0.832 -5.078 1.00 0.00 ATOM 754 N PHE 92 -8.334 -0.901 -4.084 1.00 0.00 ATOM 755 CA PHE 92 -7.557 -2.108 -3.856 1.00 0.00 ATOM 756 CB PHE 92 -6.438 -1.762 -2.833 1.00 0.00 ATOM 757 CG PHE 92 -5.503 -2.894 -2.535 1.00 0.00 ATOM 758 CD1 PHE 92 -4.457 -3.199 -3.400 1.00 0.00 ATOM 759 CD2 PHE 92 -5.653 -3.638 -1.368 1.00 0.00 ATOM 760 CE1 PHE 92 -3.568 -4.230 -3.105 1.00 0.00 ATOM 761 CE2 PHE 92 -4.774 -4.670 -1.060 1.00 0.00 ATOM 762 CZ PHE 92 -3.727 -4.968 -1.929 1.00 0.00 ATOM 763 O PHE 92 -8.311 -4.405 -3.877 1.00 0.00 ATOM 764 C PHE 92 -8.502 -3.245 -3.475 1.00 0.00 ATOM 765 N ILE 93 -9.523 -2.911 -2.693 1.00 0.00 ATOM 766 CA ILE 93 -10.486 -3.912 -2.252 1.00 0.00 ATOM 767 CB ILE 93 -11.460 -3.336 -1.207 1.00 0.00 ATOM 768 CG1 ILE 93 -10.717 -3.001 0.087 1.00 0.00 ATOM 769 CG2 ILE 93 -12.555 -4.343 -0.888 1.00 0.00 ATOM 770 CD1 ILE 93 -11.541 -2.206 1.076 1.00 0.00 ATOM 771 O ILE 93 -11.551 -5.632 -3.549 1.00 0.00 ATOM 772 C ILE 93 -11.318 -4.428 -3.417 1.00 0.00 ATOM 773 N GLU 94 -11.772 -3.534 -4.275 1.00 0.00 ATOM 774 CA GLU 94 -12.586 -3.931 -5.414 1.00 0.00 ATOM 775 CB GLU 94 -13.082 -2.699 -6.174 1.00 0.00 ATOM 776 CG GLU 94 -14.109 -1.874 -5.416 1.00 0.00 ATOM 777 CD GLU 94 -14.536 -0.635 -6.177 1.00 0.00 ATOM 778 OE1 GLU 94 -13.991 -0.394 -7.275 1.00 0.00 ATOM 779 OE2 GLU 94 -15.416 0.096 -5.676 1.00 0.00 ATOM 780 O GLU 94 -12.328 -5.774 -6.940 1.00 0.00 ATOM 781 C GLU 94 -11.802 -4.802 -6.397 1.00 0.00 ATOM 782 N THR 95 -10.536 -4.456 -6.622 1.00 0.00 ATOM 783 CA THR 95 -9.708 -5.204 -7.555 1.00 0.00 ATOM 784 CB THR 95 -8.362 -4.497 -7.807 1.00 0.00 ATOM 785 CG2 THR 95 -7.501 -5.316 -8.755 1.00 0.00 ATOM 786 OG1 THR 95 -8.598 -3.209 -8.389 1.00 0.00 ATOM 787 O THR 95 -9.451 -7.585 -7.773 1.00 0.00 ATOM 788 C THR 95 -9.397 -6.602 -7.029 1.00 0.00 ATOM 789 N VAL 96 -9.073 -6.702 -5.745 1.00 0.00 ATOM 790 CA VAL 96 -8.773 -7.996 -5.163 1.00 0.00 ATOM 791 CB VAL 96 -8.377 -7.870 -3.681 1.00 0.00 ATOM 792 CG1 VAL 96 -8.270 -9.245 -3.039 1.00 0.00 ATOM 793 CG2 VAL 96 -7.034 -7.170 -3.545 1.00 0.00 ATOM 794 O VAL 96 -9.800 -10.070 -5.682 1.00 0.00 ATOM 795 C VAL 96 -9.945 -8.940 -5.223 1.00 0.00 ATOM 796 N LYS 97 -11.108 -8.506 -4.784 1.00 0.00 ATOM 797 CA LYS 97 -12.309 -9.327 -4.783 1.00 0.00 ATOM 798 CB LYS 97 -13.488 -8.551 -4.191 1.00 0.00 ATOM 799 CG LYS 97 -14.774 -9.356 -4.093 1.00 0.00 ATOM 800 CD LYS 97 -15.885 -8.544 -3.446 1.00 0.00 ATOM 801 CE LYS 97 -17.174 -9.344 -3.361 1.00 0.00 ATOM 802 NZ LYS 97 -18.269 -8.565 -2.718 1.00 0.00 ATOM 803 O LYS 97 -13.144 -10.894 -6.467 1.00 0.00 ATOM 804 C LYS 97 -12.701 -9.762 -6.190 1.00 0.00 ATOM 805 N GLN 98 -12.559 -8.852 -7.150 1.00 0.00 ATOM 806 CA GLN 98 -12.945 -9.264 -8.512 1.00 0.00 ATOM 807 CB GLN 98 -13.150 -8.038 -9.405 1.00 0.00 ATOM 808 CG GLN 98 -14.327 -7.165 -8.999 1.00 0.00 ATOM 809 CD GLN 98 -14.458 -5.927 -9.864 1.00 0.00 ATOM 810 OE1 GLN 98 -13.651 -5.697 -10.764 1.00 0.00 ATOM 811 NE2 GLN 98 -15.480 -5.123 -9.592 1.00 0.00 ATOM 812 O GLN 98 -12.207 -11.044 -9.886 1.00 0.00 ATOM 813 C GLN 98 -11.852 -10.133 -9.119 1.00 0.00 ATOM 814 N ARG 99 -10.438 -10.234 -9.028 1.00 0.00 ATOM 815 CA ARG 99 -9.514 -11.278 -9.417 1.00 0.00 ATOM 816 CB ARG 99 -8.107 -10.967 -8.903 1.00 0.00 ATOM 817 CG ARG 99 -7.436 -9.796 -9.600 1.00 0.00 ATOM 818 CD ARG 99 -6.054 -9.529 -9.026 1.00 0.00 ATOM 819 NE ARG 99 -5.401 -8.393 -9.673 1.00 0.00 ATOM 820 CZ ARG 99 -4.228 -7.893 -9.300 1.00 0.00 ATOM 821 NH1 ARG 99 -3.712 -6.858 -9.948 1.00 0.00 ATOM 822 NH2 ARG 99 -3.574 -8.429 -8.279 1.00 0.00 ATOM 823 O ARG 99 -9.693 -13.661 -9.314 1.00 0.00 ATOM 824 C ARG 99 -10.001 -12.599 -8.814 1.00 0.00 ATOM 825 N GLY 100 -10.768 -12.537 -7.738 1.00 0.00 ATOM 826 CA GLY 100 -11.229 -13.765 -7.126 1.00 0.00 ATOM 827 O GLY 100 -10.688 -15.171 -5.309 1.00 0.00 ATOM 828 C GLY 100 -10.617 -14.058 -5.756 1.00 0.00 ATOM 829 N CYS 101 -10.001 -13.085 -5.097 1.00 0.00 ATOM 830 CA CYS 101 -9.451 -13.334 -3.778 1.00 0.00 ATOM 831 CB CYS 101 -8.735 -12.088 -3.251 1.00 0.00 ATOM 832 SG CYS 101 -7.239 -11.644 -4.164 1.00 0.00 ATOM 833 O CYS 101 -11.685 -13.124 -2.935 1.00 0.00 ATOM 834 C CYS 101 -10.602 -13.698 -2.845 1.00 0.00 ATOM 835 N THR 102 -10.372 -14.676 -1.977 1.00 0.00 ATOM 836 CA THR 102 -11.361 -15.090 -1.020 1.00 0.00 ATOM 837 CB THR 102 -11.182 -16.568 -0.626 1.00 0.00 ATOM 838 CG2 THR 102 -11.259 -17.460 -1.854 1.00 0.00 ATOM 839 OG1 THR 102 -9.904 -16.748 -0.001 1.00 0.00 ATOM 840 O THR 102 -11.974 -14.111 1.084 1.00 0.00 ATOM 841 C THR 102 -11.151 -14.177 0.195 1.00 0.00 ATOM 842 N ARG 103 -10.016 -13.490 0.232 1.00 0.00 ATOM 843 CA ARG 103 -9.756 -12.519 1.290 1.00 0.00 ATOM 844 CB ARG 103 -9.410 -13.231 2.599 1.00 0.00 ATOM 845 CG ARG 103 -8.146 -14.072 2.533 1.00 0.00 ATOM 846 CD ARG 103 -7.887 -14.785 3.850 1.00 0.00 ATOM 847 NE ARG 103 -6.691 -15.621 3.795 1.00 0.00 ATOM 848 CZ ARG 103 -6.235 -16.343 4.813 1.00 0.00 ATOM 849 NH1 ARG 103 -5.138 -17.074 4.671 1.00 0.00 ATOM 850 NH2 ARG 103 -6.878 -16.332 5.973 1.00 0.00 ATOM 851 O ARG 103 -7.752 -11.943 0.084 1.00 0.00 ATOM 852 C ARG 103 -8.593 -11.611 0.926 1.00 0.00 ATOM 853 N VAL 104 -8.568 -10.461 1.590 1.00 0.00 ATOM 854 CA VAL 104 -7.518 -9.502 1.400 1.00 0.00 ATOM 855 CB VAL 104 -8.009 -8.276 0.608 1.00 0.00 ATOM 856 CG1 VAL 104 -9.176 -7.613 1.324 1.00 0.00 ATOM 857 CG2 VAL 104 -6.893 -7.255 0.460 1.00 0.00 ATOM 858 O VAL 104 -7.887 -8.773 3.664 1.00 0.00 ATOM 859 C VAL 104 -7.073 -9.085 2.784 1.00 0.00 ATOM 860 N LYS 105 -5.771 -9.116 3.000 1.00 0.00 ATOM 861 CA LYS 105 -5.225 -8.746 4.284 1.00 0.00 ATOM 862 CB LYS 105 -4.557 -9.950 4.949 1.00 0.00 ATOM 863 CG LYS 105 -3.433 -10.566 4.130 1.00 0.00 ATOM 864 CD LYS 105 -2.827 -11.765 4.841 1.00 0.00 ATOM 865 CE LYS 105 -1.700 -12.379 4.025 1.00 0.00 ATOM 866 NZ LYS 105 -1.103 -13.563 4.704 1.00 0.00 ATOM 867 O LYS 105 -3.640 -7.383 3.050 1.00 0.00 ATOM 868 C LYS 105 -4.176 -7.639 4.146 1.00 0.00 ATOM 869 N CYS 106 -3.902 -6.999 5.270 1.00 0.00 ATOM 870 CA CYS 106 -2.926 -5.954 5.357 1.00 0.00 ATOM 871 CB CYS 106 -3.498 -4.642 4.817 1.00 0.00 ATOM 872 SG CYS 106 -2.321 -3.269 4.791 1.00 0.00 ATOM 873 O CYS 106 -3.259 -6.215 7.774 1.00 0.00 ATOM 874 C CYS 106 -2.543 -5.786 6.842 1.00 0.00 ATOM 875 N VAL 107 -1.412 -5.161 7.072 1.00 0.00 ATOM 876 CA VAL 107 -0.970 -4.962 8.435 1.00 0.00 ATOM 877 CB VAL 107 0.463 -5.484 8.645 1.00 0.00 ATOM 878 CG1 VAL 107 0.518 -6.989 8.436 1.00 0.00 ATOM 879 CG2 VAL 107 1.419 -4.827 7.661 1.00 0.00 ATOM 880 O VAL 107 -0.725 -2.658 7.946 1.00 0.00 ATOM 881 C VAL 107 -0.979 -3.499 8.803 1.00 0.00 ATOM 882 N THR 108 -1.303 -3.171 10.035 1.00 0.00 ATOM 883 CA THR 108 -1.288 -1.775 10.463 1.00 0.00 ATOM 884 CB THR 108 -2.696 -1.290 10.857 1.00 0.00 ATOM 885 CG2 THR 108 -2.650 0.160 11.312 1.00 0.00 ATOM 886 OG1 THR 108 -3.573 -1.395 9.730 1.00 0.00 ATOM 887 O THR 108 -0.631 -2.244 12.673 1.00 0.00 ATOM 888 C THR 108 -0.377 -1.587 11.672 1.00 0.00 ATOM 889 N SER 109 0.644 -0.744 11.575 1.00 0.00 ATOM 890 CA SER 109 1.538 -0.465 12.706 1.00 0.00 ATOM 891 CB SER 109 2.987 -0.784 12.335 1.00 0.00 ATOM 892 OG SER 109 3.470 0.112 11.348 1.00 0.00 ATOM 893 O SER 109 0.824 1.796 12.301 1.00 0.00 ATOM 894 C SER 109 1.407 1.020 13.054 1.00 0.00 ATOM 895 N PRO 110 1.927 1.448 14.191 1.00 0.00 ATOM 896 CA PRO 110 1.717 2.828 14.651 1.00 0.00 ATOM 897 CB PRO 110 1.965 2.756 16.160 1.00 0.00 ATOM 898 CG PRO 110 2.950 1.647 16.323 1.00 0.00 ATOM 899 CD PRO 110 2.515 0.560 15.381 1.00 0.00 ATOM 900 O PRO 110 3.757 4.116 14.492 1.00 0.00 ATOM 901 C PRO 110 2.690 3.805 13.972 1.00 0.00 ATOM 902 N VAL 111 2.260 4.219 12.782 1.00 0.00 ATOM 903 CA VAL 111 3.086 5.057 11.924 1.00 0.00 ATOM 904 CB VAL 111 3.569 4.289 10.680 1.00 0.00 ATOM 905 CG1 VAL 111 4.433 3.105 11.088 1.00 0.00 ATOM 906 CG2 VAL 111 2.383 3.766 9.883 1.00 0.00 ATOM 907 O VAL 111 1.045 6.268 11.522 1.00 0.00 ATOM 908 C VAL 111 2.284 6.272 11.454 1.00 0.00 ATOM 909 N ASN 112 2.986 7.280 10.961 1.00 0.00 ATOM 910 CA ASN 112 2.343 8.462 10.407 1.00 0.00 ATOM 911 CB ASN 112 3.381 9.547 10.111 1.00 0.00 ATOM 912 CG ASN 112 3.903 10.213 11.368 1.00 0.00 ATOM 913 ND2 ASN 112 3.527 9.673 12.522 1.00 0.00 ATOM 914 OD1 ASN 112 4.635 11.200 11.301 1.00 0.00 ATOM 915 O ASN 112 0.485 8.644 8.835 1.00 0.00 ATOM 916 C ASN 112 1.609 8.133 9.096 1.00 0.00 ATOM 917 N LYS 113 2.271 7.292 8.285 1.00 0.00 ATOM 918 CA LYS 113 1.734 6.932 6.966 1.00 0.00 ATOM 919 CB LYS 113 3.297 6.578 6.208 1.00 0.00 ATOM 920 CG LYS 113 4.524 7.320 6.853 1.00 0.00 ATOM 921 CD LYS 113 5.827 6.644 6.473 1.00 0.00 ATOM 922 CE LYS 113 6.894 6.845 7.595 1.00 0.00 ATOM 923 NZ LYS 113 6.543 6.068 8.865 1.00 0.00 ATOM 924 O LYS 113 -0.040 5.495 6.144 1.00 0.00 ATOM 925 C LYS 113 0.690 5.821 7.091 1.00 0.00 ATOM 926 N VAL 114 0.563 5.291 8.281 1.00 0.00 ATOM 927 CA VAL 114 -0.400 4.208 8.482 1.00 0.00 ATOM 928 CB VAL 114 0.262 2.976 9.127 1.00 0.00 ATOM 929 CG1 VAL 114 -0.770 1.887 9.378 1.00 0.00 ATOM 930 CG2 VAL 114 1.344 2.415 8.218 1.00 0.00 ATOM 931 O VAL 114 -1.285 5.194 10.477 1.00 0.00 ATOM 932 C VAL 114 -1.519 4.667 9.387 1.00 0.00 ATOM 933 N SER 115 -2.782 4.519 8.998 1.00 0.00 ATOM 934 CA SER 115 -3.783 5.018 9.938 1.00 0.00 ATOM 935 CB SER 115 -4.760 5.959 9.230 1.00 0.00 ATOM 936 OG SER 115 -5.796 6.371 10.105 1.00 0.00 ATOM 937 O SER 115 -5.006 2.963 9.792 1.00 0.00 ATOM 938 C SER 115 -4.552 3.835 10.512 1.00 0.00 ATOM 939 N ILE 116 -4.619 3.821 11.844 1.00 0.00 ATOM 940 CA ILE 116 -5.371 2.784 12.547 1.00 0.00 ATOM 941 CB ILE 116 -5.087 2.898 14.032 1.00 0.00 ATOM 942 CG1 ILE 116 -3.610 2.657 14.371 1.00 0.00 ATOM 943 CG2 ILE 116 -5.995 1.978 14.818 1.00 0.00 ATOM 944 CD1 ILE 116 -2.936 3.764 15.143 1.00 0.00 ATOM 945 O ILE 116 -7.496 1.921 11.820 1.00 0.00 ATOM 946 C ILE 116 -6.846 2.914 12.138 1.00 0.00 ATOM 947 N ALA 117 -7.364 4.141 12.133 1.00 0.00 ATOM 948 CA ALA 117 -8.758 4.388 11.736 1.00 0.00 ATOM 949 CB ALA 117 -9.085 5.869 11.841 1.00 0.00 ATOM 950 O ALA 117 -10.051 3.308 10.031 1.00 0.00 ATOM 951 C ALA 117 -9.038 3.953 10.288 1.00 0.00 ATOM 952 N TYR 118 -8.148 4.331 9.355 1.00 0.00 ATOM 953 CA TYR 118 -8.366 3.933 7.966 1.00 0.00 ATOM 954 CB TYR 118 -7.326 4.603 7.063 1.00 0.00 ATOM 955 CG TYR 118 -7.702 6.038 6.730 1.00 0.00 ATOM 956 CD1 TYR 118 -7.014 7.123 7.224 1.00 0.00 ATOM 957 CD2 TYR 118 -8.781 6.225 5.865 1.00 0.00 ATOM 958 CE1 TYR 118 -7.368 8.423 6.829 1.00 0.00 ATOM 959 CE2 TYR 118 -9.098 7.505 5.433 1.00 0.00 ATOM 960 CZ TYR 118 -8.397 8.569 5.929 1.00 0.00 ATOM 961 OH TYR 118 -8.742 9.830 5.453 1.00 0.00 ATOM 962 O TYR 118 -9.134 1.860 7.003 1.00 0.00 ATOM 963 C TYR 118 -8.374 2.435 7.759 1.00 0.00 ATOM 964 N HIS 119 -7.367 1.727 8.361 1.00 0.00 ATOM 965 CA HIS 119 -7.365 0.282 8.178 1.00 0.00 ATOM 966 CB HIS 119 -6.098 -0.365 8.787 1.00 0.00 ATOM 967 CG HIS 119 -4.869 -0.072 7.984 1.00 0.00 ATOM 968 CD2 HIS 119 -4.719 0.267 6.670 1.00 0.00 ATOM 969 ND1 HIS 119 -3.597 -0.089 8.532 1.00 0.00 ATOM 970 CE1 HIS 119 -2.716 0.206 7.575 1.00 0.00 ATOM 971 NE2 HIS 119 -3.374 0.382 6.429 1.00 0.00 ATOM 972 O HIS 119 -9.210 -1.204 8.014 1.00 0.00 ATOM 973 C HIS 119 -8.619 -0.374 8.703 1.00 0.00 ATOM 974 N THR 120 -9.055 0.004 9.906 1.00 0.00 ATOM 975 CA THR 120 -10.282 -0.600 10.473 1.00 0.00 ATOM 976 CB THR 120 -10.435 -0.268 11.968 1.00 0.00 ATOM 977 CG2 THR 120 -11.719 -0.869 12.518 1.00 0.00 ATOM 978 OG1 THR 120 -9.323 -0.805 12.696 1.00 0.00 ATOM 979 O THR 120 -12.407 -0.974 9.516 1.00 0.00 ATOM 980 C THR 120 -11.546 -0.119 9.790 1.00 0.00 ATOM 981 N LYS 121 -11.669 1.135 9.377 1.00 0.00 ATOM 982 CA LYS 121 -12.847 1.568 8.621 1.00 0.00 ATOM 983 CB LYS 121 -12.766 3.064 8.312 1.00 0.00 ATOM 984 CG LYS 121 -12.845 3.956 9.541 1.00 0.00 ATOM 985 CD LYS 121 -12.772 5.426 9.161 1.00 0.00 ATOM 986 CE LYS 121 -12.851 6.318 10.389 1.00 0.00 ATOM 987 NZ LYS 121 -12.767 7.762 10.033 1.00 0.00 ATOM 988 O LYS 121 -13.980 0.289 6.904 1.00 0.00 ATOM 989 C LYS 121 -12.945 0.819 7.318 1.00 0.00 ATOM 990 N LEU 122 -13.092 0.983 5.906 1.00 0.00 ATOM 991 CA LEU 122 -12.911 0.591 4.505 1.00 0.00 ATOM 992 CB LEU 122 -11.445 0.741 4.092 1.00 0.00 ATOM 993 CG LEU 122 -10.880 2.163 4.102 1.00 0.00 ATOM 994 CD1 LEU 122 -9.390 2.151 3.797 1.00 0.00 ATOM 995 CD2 LEU 122 -11.573 3.024 3.057 1.00 0.00 ATOM 996 O LEU 122 -13.150 -1.454 3.242 1.00 0.00 ATOM 997 C LEU 122 -13.333 -0.878 4.320 1.00 0.00 ATOM 998 N GLY 123 -13.862 -1.488 5.383 1.00 0.00 ATOM 999 CA GLY 123 -14.349 -2.848 5.277 1.00 0.00 ATOM 1000 O GLY 123 -13.457 -4.981 4.654 1.00 0.00 ATOM 1001 C GLY 123 -13.230 -3.869 5.121 1.00 0.00 ATOM 1002 N PHE 124 -12.017 -3.498 5.511 1.00 0.00 ATOM 1003 CA PHE 124 -10.909 -4.412 5.386 1.00 0.00 ATOM 1004 CB PHE 124 -9.593 -3.643 5.256 1.00 0.00 ATOM 1005 CG PHE 124 -9.437 -2.923 3.948 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.728 -1.574 3.844 1.00 0.00 ATOM 1007 CD2 PHE 124 -9.000 -3.595 2.820 1.00 0.00 ATOM 1008 CE1 PHE 124 -9.585 -0.911 2.640 1.00 0.00 ATOM 1009 CE2 PHE 124 -8.858 -2.932 1.614 1.00 0.00 ATOM 1010 CZ PHE 124 -9.148 -1.596 1.522 1.00 0.00 ATOM 1011 O PHE 124 -11.392 -4.998 7.676 1.00 0.00 ATOM 1012 C PHE 124 -10.818 -5.323 6.620 1.00 0.00 ATOM 1013 N ASP 125 -10.132 -6.460 6.458 1.00 0.00 ATOM 1014 CA ASP 125 -9.944 -7.452 7.513 1.00 0.00 ATOM 1015 CB ASP 125 -10.708 -8.737 7.183 1.00 0.00 ATOM 1016 CG ASP 125 -12.209 -8.531 7.155 1.00 0.00 ATOM 1017 OD1 ASP 125 -12.786 -8.216 8.216 1.00 0.00 ATOM 1018 OD2 ASP 125 -12.810 -8.686 6.071 1.00 0.00 ATOM 1019 O ASP 125 -7.698 -7.739 6.723 1.00 0.00 ATOM 1020 C ASP 125 -8.477 -7.797 7.671 1.00 0.00 ATOM 1021 N ILE 126 -8.109 -8.202 8.868 1.00 0.00 ATOM 1022 CA ILE 126 -6.738 -8.585 9.123 1.00 0.00 ATOM 1023 CB ILE 126 -6.031 -8.566 10.171 1.00 0.00 ATOM 1024 CG1 ILE 126 -5.236 -7.281 9.986 1.00 0.00 ATOM 1025 CG2 ILE 126 -5.047 -9.728 10.238 1.00 0.00 ATOM 1026 CD1 ILE 126 -4.608 -6.741 11.267 1.00 0.00 ATOM 1027 O ILE 126 -7.259 -10.738 8.243 1.00 0.00 ATOM 1028 C ILE 126 -6.450 -9.826 8.291 1.00 0.00 ATOM 1029 N GLU 127 -5.307 -9.873 7.627 1.00 0.00 ATOM 1030 CA GLU 127 -5.053 -11.001 6.760 1.00 0.00 ATOM 1031 CB GLU 127 -5.744 -10.581 5.361 1.00 0.00 ATOM 1032 CG GLU 127 -7.228 -10.336 5.465 1.00 0.00 ATOM 1033 CD GLU 127 -8.044 -11.591 5.303 1.00 0.00 ATOM 1034 OE1 GLU 127 -7.511 -12.529 4.686 1.00 0.00 ATOM 1035 OE2 GLU 127 -9.187 -11.679 5.758 1.00 0.00 ATOM 1036 O GLU 127 -3.420 -12.629 6.246 1.00 0.00 ATOM 1037 C GLU 127 -3.661 -11.578 6.823 1.00 0.00 ATOM 1038 N LYS 128 -2.731 -10.895 7.487 1.00 0.00 ATOM 1039 CA LYS 128 -1.404 -11.444 7.575 1.00 0.00 ATOM 1040 CB LYS 128 -0.632 -11.817 6.625 1.00 0.00 ATOM 1041 CG LYS 128 0.624 -12.527 7.115 1.00 0.00 ATOM 1042 CD LYS 128 0.580 -14.028 6.761 1.00 0.00 ATOM 1043 CE LYS 128 0.394 -14.299 5.251 1.00 0.00 ATOM 1044 NZ LYS 128 -0.303 -15.553 4.970 1.00 0.00 ATOM 1045 O LYS 128 -0.915 -9.495 8.767 1.00 0.00 ATOM 1046 C LYS 128 -0.469 -10.430 8.141 1.00 0.00 ATOM 1047 N GLY 129 0.821 -10.612 7.891 1.00 0.00 ATOM 1048 CA GLY 129 1.853 -9.738 8.365 1.00 0.00 ATOM 1049 O GLY 129 2.990 -9.985 6.279 1.00 0.00 ATOM 1050 C GLY 129 2.698 -9.245 7.207 1.00 0.00 ATOM 1051 N THR 130 3.099 -7.996 7.252 1.00 0.00 ATOM 1052 CA THR 130 3.926 -7.450 6.184 1.00 0.00 ATOM 1053 CB THR 130 3.579 -5.969 5.899 1.00 0.00 ATOM 1054 CG2 THR 130 4.611 -5.345 4.960 1.00 0.00 ATOM 1055 OG1 THR 130 2.285 -5.891 5.291 1.00 0.00 ATOM 1056 O THR 130 5.769 -7.115 7.678 1.00 0.00 ATOM 1057 C THR 130 5.394 -7.537 6.583 1.00 0.00 ATOM 1058 N LYS 131 6.221 -8.077 5.709 1.00 0.00 ATOM 1059 CA LYS 131 7.653 -8.237 5.986 1.00 0.00 ATOM 1060 CB LYS 131 8.334 -9.006 4.851 1.00 0.00 ATOM 1061 CG LYS 131 7.955 -10.476 4.782 1.00 0.00 ATOM 1062 CD LYS 131 8.676 -11.180 3.645 1.00 0.00 ATOM 1063 CE LYS 131 8.297 -12.650 3.575 1.00 0.00 ATOM 1064 NZ LYS 131 8.986 -13.350 2.457 1.00 0.00 ATOM 1065 O LYS 131 8.284 -6.018 5.307 1.00 0.00 ATOM 1066 C LYS 131 8.417 -6.922 6.136 1.00 0.00 ATOM 1067 N THR 132 9.199 -6.827 7.210 1.00 0.00 ATOM 1068 CA THR 132 10.029 -5.657 7.508 1.00 0.00 ATOM 1069 CB THR 132 11.003 -5.347 6.356 1.00 0.00 ATOM 1070 CG2 THR 132 11.935 -6.526 6.115 1.00 0.00 ATOM 1071 OG1 THR 132 10.262 -5.089 5.157 1.00 0.00 ATOM 1072 O THR 132 9.868 -3.265 7.623 1.00 0.00 ATOM 1073 C THR 132 9.285 -4.342 7.754 1.00 0.00 ATOM 1074 N VAL 133 8.037 -4.440 8.205 1.00 0.00 ATOM 1075 CA VAL 133 7.198 -3.265 8.462 1.00 0.00 ATOM 1076 CB VAL 133 5.810 -3.667 8.993 1.00 0.00 ATOM 1077 CG1 VAL 133 5.036 -2.439 9.445 1.00 0.00 ATOM 1078 CG2 VAL 133 5.007 -4.368 7.908 1.00 0.00 ATOM 1079 O VAL 133 7.719 -1.062 9.245 1.00 0.00 ATOM 1080 C VAL 133 7.734 -2.267 9.486 1.00 0.00 ATOM 1081 N ASN 134 8.178 -2.765 10.634 1.00 0.00 ATOM 1082 CA ASN 134 8.702 -1.916 11.702 1.00 0.00 ATOM 1083 CB ASN 134 8.148 -2.358 13.058 1.00 0.00 ATOM 1084 CG ASN 134 6.674 -2.041 13.215 1.00 0.00 ATOM 1085 ND2 ASN 134 5.843 -3.077 13.205 1.00 0.00 ATOM 1086 OD1 ASN 134 6.288 -0.878 13.345 1.00 0.00 ATOM 1087 O ASN 134 10.825 -1.726 12.816 1.00 0.00 ATOM 1088 C ASN 134 10.223 -1.987 11.768 1.00 0.00 ATOM 1089 N GLY 135 10.837 -2.318 10.638 1.00 0.00 ATOM 1090 CA GLY 135 12.277 -2.456 10.586 1.00 0.00 ATOM 1091 O GLY 135 11.680 -4.701 10.040 1.00 0.00 ATOM 1092 C GLY 135 12.588 -3.881 10.175 1.00 0.00 ATOM 1093 N ILE 136 13.865 -4.193 10.011 1.00 0.00 ATOM 1094 CA ILE 136 14.278 -5.526 9.597 1.00 0.00 ATOM 1095 CB ILE 136 15.812 -5.655 9.553 1.00 0.00 ATOM 1096 CG1 ILE 136 16.393 -4.727 8.485 1.00 0.00 ATOM 1097 CG2 ILE 136 16.217 -7.083 9.224 1.00 0.00 ATOM 1098 CD1 ILE 136 17.900 -4.604 8.538 1.00 0.00 ATOM 1099 O ILE 136 14.104 -6.712 11.685 1.00 0.00 ATOM 1100 C ILE 136 13.812 -6.663 10.486 1.00 0.00 ATOM 1101 N SER 137 13.062 -7.569 9.869 1.00 0.00 ATOM 1102 CA SER 137 12.547 -8.756 10.531 1.00 0.00 ATOM 1103 CB SER 137 13.690 -9.558 11.157 1.00 0.00 ATOM 1104 OG SER 137 14.616 -9.981 10.171 1.00 0.00 ATOM 1105 O SER 137 11.428 -9.335 12.567 1.00 0.00 ATOM 1106 C SER 137 11.552 -8.512 11.662 1.00 0.00 ATOM 1107 N VAL 138 10.863 -7.374 11.615 1.00 0.00 ATOM 1108 CA VAL 138 9.843 -7.022 12.612 1.00 0.00 ATOM 1109 CB VAL 138 10.223 -5.744 13.381 1.00 0.00 ATOM 1110 CG1 VAL 138 9.211 -5.464 14.482 1.00 0.00 ATOM 1111 CG2 VAL 138 11.597 -5.895 14.019 1.00 0.00 ATOM 1112 O VAL 138 8.151 -5.668 11.554 1.00 0.00 ATOM 1113 C VAL 138 8.557 -6.806 11.818 1.00 0.00 ATOM 1114 N PHE 139 7.891 -7.907 11.431 1.00 0.00 ATOM 1115 CA PHE 139 6.656 -7.835 10.652 1.00 0.00 ATOM 1116 CB PHE 139 6.357 -9.183 9.994 1.00 0.00 ATOM 1117 CG PHE 139 7.314 -9.548 8.897 1.00 0.00 ATOM 1118 CD1 PHE 139 8.165 -8.599 8.357 1.00 0.00 ATOM 1119 CD2 PHE 139 7.366 -10.840 8.403 1.00 0.00 ATOM 1120 CE1 PHE 139 9.047 -8.933 7.347 1.00 0.00 ATOM 1121 CE2 PHE 139 8.247 -11.175 7.393 1.00 0.00 ATOM 1122 CZ PHE 139 9.086 -10.229 6.864 1.00 0.00 ATOM 1123 O PHE 139 5.333 -7.378 12.627 1.00 0.00 ATOM 1124 C PHE 139 5.379 -7.476 11.394 1.00 0.00 ATOM 1125 N ALA 140 4.345 -7.255 10.592 1.00 0.00 ATOM 1126 CA ALA 140 3.012 -6.982 11.087 1.00 0.00 ATOM 1127 CB ALA 140 2.460 -5.714 10.454 1.00 0.00 ATOM 1128 O ALA 140 2.421 -8.690 9.507 1.00 0.00 ATOM 1129 C ALA 140 2.275 -8.240 10.649 1.00 0.00 ATOM 1130 N ASN 141 1.565 -8.872 11.559 1.00 0.00 ATOM 1131 CA ASN 141 0.797 -10.107 11.301 1.00 0.00 ATOM 1132 CB ASN 141 -0.700 -9.621 10.741 1.00 0.00 ATOM 1133 CG ASN 141 -1.215 -8.329 11.268 1.00 0.00 ATOM 1134 ND2 ASN 141 -2.126 -8.408 12.252 1.00 0.00 ATOM 1135 OD1 ASN 141 -0.790 -7.255 10.819 1.00 0.00 ATOM 1136 O ASN 141 1.371 -11.935 9.780 1.00 0.00 ATOM 1137 C ASN 141 1.688 -11.180 10.711 1.00 0.00 ATOM 1138 N TYR 142 2.841 -11.253 11.355 1.00 0.00 ATOM 1139 CA TYR 142 3.956 -12.080 10.917 1.00 0.00 ATOM 1140 CB TYR 142 5.115 -11.986 11.912 1.00 0.00 ATOM 1141 CG TYR 142 6.313 -12.830 11.538 1.00 0.00 ATOM 1142 CD1 TYR 142 7.198 -12.412 10.553 1.00 0.00 ATOM 1143 CD2 TYR 142 6.553 -14.044 12.171 1.00 0.00 ATOM 1144 CE1 TYR 142 8.295 -13.178 10.205 1.00 0.00 ATOM 1145 CE2 TYR 142 7.645 -14.822 11.836 1.00 0.00 ATOM 1146 CZ TYR 142 8.519 -14.378 10.845 1.00 0.00 ATOM 1147 OH TYR 142 9.609 -15.142 10.500 1.00 0.00 ATOM 1148 O TYR 142 4.197 -14.197 9.895 1.00 0.00 ATOM 1149 C TYR 142 3.634 -13.563 10.780 1.00 0.00 ATOM 1150 N ASP 143 2.789 -14.123 11.633 1.00 0.00 ATOM 1151 CA ASP 143 2.497 -15.535 11.547 1.00 0.00 ATOM 1152 CB ASP 143 2.377 -16.143 12.945 1.00 0.00 ATOM 1153 CG ASP 143 3.687 -16.120 13.706 1.00 0.00 ATOM 1154 OD1 ASP 143 4.634 -16.814 13.280 1.00 0.00 ATOM 1155 OD2 ASP 143 3.768 -15.408 14.729 1.00 0.00 ATOM 1156 O ASP 143 0.765 -16.978 10.743 1.00 0.00 ATOM 1157 C ASP 143 1.184 -15.819 10.810 1.00 0.00 ATOM 1158 N GLY 144 0.545 -14.824 10.208 1.00 0.00 ATOM 1159 CA GLY 144 -0.808 -15.070 9.636 1.00 0.00 ATOM 1160 O GLY 144 -1.553 -14.125 11.734 1.00 0.00 ATOM 1161 C GLY 144 -1.844 -14.603 10.647 1.00 0.00 ATOM 1162 N PRO 145 -3.107 -14.741 10.238 1.00 0.00 ATOM 1163 CA PRO 145 -4.260 -14.316 11.044 1.00 0.00 ATOM 1164 CB PRO 145 -5.471 -14.758 10.220 1.00 0.00 ATOM 1165 CG PRO 145 -4.961 -14.844 8.821 1.00 0.00 ATOM 1166 CD PRO 145 -3.559 -15.377 8.921 1.00 0.00 ATOM 1167 O PRO 145 -4.049 -16.131 12.611 1.00 0.00 ATOM 1168 C PRO 145 -4.311 -14.950 12.446 1.00 0.00 ATOM 1169 N GLY 146 -4.596 -14.121 13.443 1.00 0.00 ATOM 1170 CA GLY 146 -4.727 -14.566 14.822 1.00 0.00 ATOM 1171 O GLY 146 -3.975 -13.816 16.977 1.00 0.00 ATOM 1172 C GLY 146 -3.713 -13.912 15.777 1.00 0.00 ATOM 1173 N GLN 147 -2.558 -13.453 15.267 1.00 0.00 ATOM 1174 CA GLN 147 -1.531 -12.804 16.085 1.00 0.00 ATOM 1175 CB GLN 147 -0.466 -12.159 15.195 1.00 0.00 ATOM 1176 CG GLN 147 0.351 -13.152 14.384 1.00 0.00 ATOM 1177 CD GLN 147 1.128 -14.117 15.257 1.00 0.00 ATOM 1178 OE1 GLN 147 1.898 -13.704 16.124 1.00 0.00 ATOM 1179 NE2 GLN 147 0.927 -15.411 15.032 1.00 0.00 ATOM 1180 O GLN 147 -3.293 -11.361 16.932 1.00 0.00 ATOM 1181 C GLN 147 -2.114 -11.703 16.981 1.00 0.00 ATOM 1182 N ASP 148 -1.323 -11.131 17.864 1.00 0.00 ATOM 1183 CA ASP 148 -1.820 -10.111 18.781 1.00 0.00 ATOM 1184 CB ASP 148 -0.823 -9.880 19.910 1.00 0.00 ATOM 1185 CG ASP 148 -0.611 -11.109 20.747 1.00 0.00 ATOM 1186 OD1 ASP 148 -1.601 -11.669 21.244 1.00 0.00 ATOM 1187 OD2 ASP 148 0.544 -11.533 20.914 1.00 0.00 ATOM 1188 O ASP 148 -3.088 -8.120 18.362 1.00 0.00 ATOM 1189 C ASP 148 -2.112 -8.800 18.053 1.00 0.00 ATOM 1190 N ARG 149 -1.265 -8.440 17.095 1.00 0.00 ATOM 1191 CA ARG 149 -1.475 -7.228 16.313 1.00 0.00 ATOM 1192 CB ARG 149 -0.236 -6.900 15.485 1.00 0.00 ATOM 1193 CG ARG 149 0.930 -6.382 16.282 1.00 0.00 ATOM 1194 CD ARG 149 0.634 -5.022 16.870 1.00 0.00 ATOM 1195 NE ARG 149 1.846 -4.412 17.408 1.00 0.00 ATOM 1196 CZ ARG 149 1.881 -3.504 18.378 1.00 0.00 ATOM 1197 NH1 ARG 149 0.767 -3.067 18.955 1.00 0.00 ATOM 1198 NH2 ARG 149 3.048 -3.028 18.770 1.00 0.00 ATOM 1199 O ARG 149 -3.371 -6.446 15.083 1.00 0.00 ATOM 1200 C ARG 149 -2.670 -7.403 15.384 1.00 0.00 ATOM 1201 N VAL 150 -2.857 -8.623 14.892 1.00 0.00 ATOM 1202 CA VAL 150 -3.967 -8.939 14.014 1.00 0.00 ATOM 1203 CB VAL 150 -3.821 -10.370 13.430 1.00 0.00 ATOM 1204 CG1 VAL 150 -5.114 -10.812 12.745 1.00 0.00 ATOM 1205 CG2 VAL 150 -2.663 -10.405 12.431 1.00 0.00 ATOM 1206 O VAL 150 -6.235 -8.224 14.347 1.00 0.00 ATOM 1207 C VAL 150 -5.261 -8.801 14.815 1.00 0.00 ATOM 1208 N LEU 151 -5.251 -9.305 16.047 1.00 0.00 ATOM 1209 CA LEU 151 -6.428 -9.209 16.900 1.00 0.00 ATOM 1210 CB LEU 151 -6.221 -10.004 18.189 1.00 0.00 ATOM 1211 CG LEU 151 -7.384 -10.038 19.188 1.00 0.00 ATOM 1212 CD1 LEU 151 -8.672 -10.514 18.513 1.00 0.00 ATOM 1213 CD2 LEU 151 -7.008 -10.970 20.338 1.00 0.00 ATOM 1214 O LEU 151 -7.905 -7.374 17.322 1.00 0.00 ATOM 1215 C LEU 151 -6.742 -7.749 17.215 1.00 0.00 ATOM 1216 N PHE 152 -5.710 -6.931 17.360 1.00 0.00 ATOM 1217 CA PHE 152 -5.931 -5.502 17.625 1.00 0.00 ATOM 1218 CB PHE 152 -4.871 -4.966 18.589 1.00 0.00 ATOM 1219 CG PHE 152 -5.008 -5.486 19.991 1.00 0.00 ATOM 1220 CD1 PHE 152 -6.166 -6.126 20.397 1.00 0.00 ATOM 1221 CD2 PHE 152 -3.979 -5.336 20.904 1.00 0.00 ATOM 1222 CE1 PHE 152 -6.292 -6.605 21.688 1.00 0.00 ATOM 1223 CE2 PHE 152 -4.105 -5.815 22.195 1.00 0.00 ATOM 1224 CZ PHE 152 -5.255 -6.447 22.588 1.00 0.00 ATOM 1225 O PHE 152 -5.247 -3.604 16.337 1.00 0.00 ATOM 1226 C PHE 152 -5.861 -4.670 16.346 1.00 0.00 ATOM 1227 N VAL 153 -6.495 -5.156 15.268 1.00 0.00 ATOM 1228 CA VAL 153 -6.478 -4.424 14.005 1.00 0.00 ATOM 1229 CB VAL 153 -7.098 -5.252 12.864 1.00 0.00 ATOM 1230 CG1 VAL 153 -7.240 -4.406 11.609 1.00 0.00 ATOM 1231 CG2 VAL 153 -6.220 -6.451 12.539 1.00 0.00 ATOM 1232 O VAL 153 -6.852 -2.105 13.528 1.00 0.00 ATOM 1233 C VAL 153 -7.256 -3.129 14.084 1.00 0.00 ATOM 1234 N LYS 154 -8.379 -3.119 14.800 1.00 0.00 ATOM 1235 CA LYS 154 -9.109 -1.858 14.992 1.00 0.00 ATOM 1236 CB LYS 154 -10.347 -2.084 15.862 1.00 0.00 ATOM 1237 CG LYS 154 -11.200 -0.840 16.062 1.00 0.00 ATOM 1238 CD LYS 154 -12.439 -1.147 16.886 1.00 0.00 ATOM 1239 CE LYS 154 -13.284 0.098 17.099 1.00 0.00 ATOM 1240 NZ LYS 154 -14.509 -0.191 17.896 1.00 0.00 ATOM 1241 O LYS 154 -8.168 0.338 15.289 1.00 0.00 ATOM 1242 C LYS 154 -8.197 -0.843 15.678 1.00 0.00 ATOM 1243 N ASN 155 -7.424 -1.256 16.664 1.00 0.00 ATOM 1244 CA ASN 155 -6.550 -0.333 17.395 1.00 0.00 ATOM 1245 CB ASN 155 -6.379 -0.783 18.840 1.00 0.00 ATOM 1246 CG ASN 155 -7.428 -0.216 19.744 1.00 0.00 ATOM 1247 ND2 ASN 155 -7.318 1.079 20.049 1.00 0.00 ATOM 1248 OD1 ASN 155 -8.326 -0.933 20.184 1.00 0.00 ATOM 1249 O ASN 155 -4.332 0.555 17.374 1.00 0.00 ATOM 1250 C ASN 155 -5.164 -0.155 16.805 1.00 0.00 ATOM 1251 N ILE 156 -4.879 -0.862 15.724 1.00 0.00 ATOM 1252 CA ILE 156 -3.574 -0.763 15.094 1.00 0.00 ATOM 1253 CB ILE 156 -3.310 -1.982 14.193 1.00 0.00 ATOM 1254 CG1 ILE 156 -3.186 -3.231 15.058 1.00 0.00 ATOM 1255 CG2 ILE 156 -2.042 -1.794 13.371 1.00 0.00 ATOM 1256 CD1 ILE 156 -3.080 -4.471 14.269 1.00 0.00 ATOM 1257 O ILE 156 -2.400 1.170 14.376 1.00 0.00 ATOM 1258 C ILE 156 -3.479 0.537 14.302 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:41:51 2002 Date: Thu, 5 Sep 2002 15:41:45 -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 Sep 5 14:58:58 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_818632_42047 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_5 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 5 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 5 PARENT N/A ATOM 1 N MET 1 -2.651 16.789 -0.020 1.00 0.00 ATOM 2 CA MET 1 -1.740 17.427 0.854 1.00 0.00 ATOM 3 CB MET 1 -1.775 18.920 0.922 1.00 0.00 ATOM 4 CG MET 1 -1.417 19.510 -0.420 1.00 0.00 ATOM 5 SD MET 1 0.412 19.668 -0.413 1.00 0.00 ATOM 6 CE MET 1 0.797 19.271 -2.132 1.00 0.00 ATOM 7 O MET 1 -1.078 17.384 3.128 1.00 0.00 ATOM 8 C MET 1 -1.738 16.818 2.242 1.00 0.00 ATOM 9 N ASP 2 -2.441 15.681 2.422 1.00 0.00 ATOM 10 CA ASP 2 -2.510 15.050 3.712 1.00 0.00 ATOM 11 CB ASP 2 -3.682 15.609 4.522 1.00 0.00 ATOM 12 CG ASP 2 -5.023 15.315 3.881 1.00 0.00 ATOM 13 OD1 ASP 2 -6.008 16.004 4.220 1.00 0.00 ATOM 14 OD2 ASP 2 -5.092 14.393 3.041 1.00 0.00 ATOM 15 O ASP 2 -2.985 13.158 2.376 1.00 0.00 ATOM 16 C ASP 2 -2.700 13.566 3.479 1.00 0.00 ATOM 17 N ILE 3 -2.520 12.755 4.502 1.00 0.00 ATOM 18 CA ILE 3 -2.629 11.303 4.408 1.00 0.00 ATOM 19 CB ILE 3 -1.291 10.593 4.713 1.00 0.00 ATOM 20 CG1 ILE 3 -0.215 10.978 3.691 1.00 0.00 ATOM 21 CG2 ILE 3 -1.470 9.094 4.801 1.00 0.00 ATOM 22 CD1 ILE 3 1.179 10.480 3.962 1.00 0.00 ATOM 23 O ILE 3 -3.871 11.363 6.462 1.00 0.00 ATOM 24 C ILE 3 -3.753 10.854 5.341 1.00 0.00 ATOM 25 N ARG 4 -4.597 9.960 4.828 1.00 0.00 ATOM 26 CA ARG 4 -5.774 9.463 5.514 1.00 0.00 ATOM 27 CB ARG 4 -6.952 9.855 5.555 1.00 0.00 ATOM 28 CG ARG 4 -7.966 8.815 5.995 1.00 0.00 ATOM 29 CD ARG 4 -9.338 9.444 6.143 1.00 0.00 ATOM 30 NE ARG 4 -10.147 8.814 7.183 1.00 0.00 ATOM 31 CZ ARG 4 -11.055 9.455 7.916 1.00 0.00 ATOM 32 NH1 ARG 4 -11.272 10.751 7.724 1.00 0.00 ATOM 33 NH2 ARG 4 -11.743 8.801 8.847 1.00 0.00 ATOM 34 O ARG 4 -5.251 7.397 4.390 1.00 0.00 ATOM 35 C ARG 4 -5.870 7.956 5.331 1.00 0.00 ATOM 36 N THR 5 -6.630 7.243 6.144 1.00 0.00 ATOM 37 CA THR 5 -6.930 5.844 5.860 1.00 0.00 ATOM 38 CB THR 5 -7.676 5.178 7.033 1.00 0.00 ATOM 39 CG2 THR 5 -6.824 5.208 8.292 1.00 0.00 ATOM 40 OG1 THR 5 -8.900 5.880 7.283 1.00 0.00 ATOM 41 O THR 5 -8.567 6.684 4.298 1.00 0.00 ATOM 42 C THR 5 -7.810 5.764 4.614 1.00 0.00 ATOM 43 N ILE 6 -7.723 4.638 3.921 1.00 0.00 ATOM 44 CA ILE 6 -8.505 4.422 2.736 1.00 0.00 ATOM 45 CB ILE 6 -8.091 3.125 2.014 1.00 0.00 ATOM 46 CG1 ILE 6 -8.680 3.089 0.602 1.00 0.00 ATOM 47 CG2 ILE 6 -8.591 1.908 2.779 1.00 0.00 ATOM 48 CD1 ILE 6 -8.088 2.011 -0.279 1.00 0.00 ATOM 49 O ILE 6 -10.332 3.909 4.201 1.00 0.00 ATOM 50 C ILE 6 -9.982 4.314 3.106 1.00 0.00 ATOM 51 N THR 7 -10.861 4.670 2.182 1.00 0.00 ATOM 52 CA THR 7 -12.288 4.570 2.466 1.00 0.00 ATOM 53 CB THR 7 -12.929 5.961 2.633 1.00 0.00 ATOM 54 CG2 THR 7 -12.239 6.736 3.742 1.00 0.00 ATOM 55 OG1 THR 7 -12.809 6.695 1.408 1.00 0.00 ATOM 56 O THR 7 -12.413 3.745 0.226 1.00 0.00 ATOM 57 C THR 7 -12.971 3.856 1.321 1.00 0.00 ATOM 58 N SER 8 -14.186 3.386 1.584 1.00 0.00 ATOM 59 CA SER 8 -15.000 2.683 0.605 1.00 0.00 ATOM 60 CB SER 8 -16.410 2.449 1.151 1.00 0.00 ATOM 61 OG SER 8 -16.388 1.575 2.264 1.00 0.00 ATOM 62 O SER 8 -15.141 2.834 -1.748 1.00 0.00 ATOM 63 C SER 8 -15.145 3.434 -0.689 1.00 0.00 ATOM 64 N SER 9 -15.289 4.751 -0.604 1.00 0.00 ATOM 65 CA SER 9 -15.413 5.559 -1.811 1.00 0.00 ATOM 66 CB SER 9 -15.852 6.983 -1.462 1.00 0.00 ATOM 67 OG SER 9 -14.845 7.662 -0.733 1.00 0.00 ATOM 68 O SER 9 -14.189 6.237 -3.712 1.00 0.00 ATOM 69 C SER 9 -14.137 5.697 -2.615 1.00 0.00 ATOM 70 N ASP 10 -12.991 5.209 -2.111 1.00 0.00 ATOM 71 CA ASP 10 -11.720 5.334 -2.876 1.00 0.00 ATOM 72 CB ASP 10 -10.516 5.179 -1.944 1.00 0.00 ATOM 73 CG ASP 10 -10.359 6.353 -0.998 1.00 0.00 ATOM 74 OD1 ASP 10 -9.205 6.680 -0.646 1.00 0.00 ATOM 75 OD2 ASP 10 -11.386 6.946 -0.609 1.00 0.00 ATOM 76 O ASP 10 -10.603 4.298 -4.727 1.00 0.00 ATOM 77 C ASP 10 -11.568 4.265 -3.995 1.00 0.00 ATOM 78 N TYR 11 -12.512 3.341 -4.147 1.00 0.00 ATOM 79 CA TYR 11 -12.326 2.285 -5.153 1.00 0.00 ATOM 80 CB TYR 11 -13.684 1.646 -5.484 1.00 0.00 ATOM 81 CG TYR 11 -13.607 0.615 -6.581 1.00 0.00 ATOM 82 CD1 TYR 11 -13.256 -0.700 -6.298 1.00 0.00 ATOM 83 CD2 TYR 11 -13.824 0.970 -7.906 1.00 0.00 ATOM 84 CE1 TYR 11 -13.115 -1.630 -7.305 1.00 0.00 ATOM 85 CE2 TYR 11 -13.681 0.046 -8.917 1.00 0.00 ATOM 86 CZ TYR 11 -13.326 -1.250 -8.611 1.00 0.00 ATOM 87 OH TYR 11 -13.162 -2.175 -9.620 1.00 0.00 ATOM 88 O TYR 11 -10.756 2.158 -6.926 1.00 0.00 ATOM 89 C TYR 11 -11.772 2.658 -6.529 1.00 0.00 ATOM 90 N GLU 12 -12.440 3.526 -7.262 1.00 0.00 ATOM 91 CA GLU 12 -11.975 3.937 -8.580 1.00 0.00 ATOM 92 CB GLU 12 -12.832 5.086 -9.118 1.00 0.00 ATOM 93 CG GLU 12 -12.423 5.573 -10.498 1.00 0.00 ATOM 94 CD GLU 12 -13.326 6.674 -11.018 1.00 0.00 ATOM 95 OE1 GLU 12 -14.269 7.059 -10.295 1.00 0.00 ATOM 96 OE2 GLU 12 -13.089 7.153 -12.145 1.00 0.00 ATOM 97 O GLU 12 -9.711 3.853 -9.277 1.00 0.00 ATOM 98 C GLU 12 -10.551 4.415 -8.582 1.00 0.00 ATOM 99 N MET 13 -10.285 5.464 -7.810 1.00 0.00 ATOM 100 CA MET 13 -8.959 6.058 -7.788 1.00 0.00 ATOM 101 CB MET 13 -8.931 7.269 -6.853 1.00 0.00 ATOM 102 CG MET 13 -9.724 8.462 -7.360 1.00 0.00 ATOM 103 SD MET 13 -9.094 9.102 -8.924 1.00 0.00 ATOM 104 CE MET 13 -7.516 9.770 -8.408 1.00 0.00 ATOM 105 O MET 13 -6.717 5.300 -7.868 1.00 0.00 ATOM 106 C MET 13 -7.803 5.200 -7.327 1.00 0.00 ATOM 107 N VAL 14 -8.064 4.363 -6.338 1.00 0.00 ATOM 108 CA VAL 14 -7.107 3.446 -5.762 1.00 0.00 ATOM 109 CB VAL 14 -7.644 2.807 -4.468 1.00 0.00 ATOM 110 CG1 VAL 14 -6.704 1.715 -3.982 1.00 0.00 ATOM 111 CG2 VAL 14 -7.771 3.855 -3.371 1.00 0.00 ATOM 112 O VAL 14 -5.664 2.019 -6.982 1.00 0.00 ATOM 113 C VAL 14 -6.814 2.343 -6.758 1.00 0.00 ATOM 114 N THR 15 -7.834 1.762 -7.372 1.00 0.00 ATOM 115 CA THR 15 -7.543 0.718 -8.355 1.00 0.00 ATOM 116 CB THR 15 -8.835 0.113 -8.937 1.00 0.00 ATOM 117 CG2 THR 15 -8.507 -0.935 -9.986 1.00 0.00 ATOM 118 OG1 THR 15 -9.593 -0.502 -7.886 1.00 0.00 ATOM 119 O THR 15 -5.797 0.738 -10.037 1.00 0.00 ATOM 120 C THR 15 -6.735 1.345 -9.476 1.00 0.00 ATOM 121 N SER 16 -7.072 2.582 -9.798 1.00 0.00 ATOM 122 CA SER 16 -6.356 3.258 -10.845 1.00 0.00 ATOM 123 CB SER 16 -6.981 4.625 -11.128 1.00 0.00 ATOM 124 OG SER 16 -8.290 4.488 -11.654 1.00 0.00 ATOM 125 O SER 16 -4.000 3.275 -11.315 1.00 0.00 ATOM 126 C SER 16 -4.877 3.489 -10.475 1.00 0.00 ATOM 127 N VAL 17 -4.559 3.905 -9.248 1.00 0.00 ATOM 128 CA VAL 17 -3.139 4.121 -8.973 1.00 0.00 ATOM 129 CB VAL 17 -2.933 5.015 -7.736 1.00 0.00 ATOM 130 CG1 VAL 17 -1.458 5.095 -7.376 1.00 0.00 ATOM 131 CG2 VAL 17 -3.440 6.424 -8.006 1.00 0.00 ATOM 132 O VAL 17 -1.167 2.756 -8.943 1.00 0.00 ATOM 133 C VAL 17 -2.370 2.814 -8.699 1.00 0.00 ATOM 134 N LEU 18 -3.081 1.760 -8.271 1.00 0.00 ATOM 135 CA LEU 18 -2.476 0.456 -8.002 1.00 0.00 ATOM 136 CB LEU 18 -3.446 -0.234 -6.907 1.00 0.00 ATOM 137 CG LEU 18 -3.134 -1.630 -6.331 1.00 0.00 ATOM 138 CD1 LEU 18 -3.500 -2.734 -7.334 1.00 0.00 ATOM 139 CD2 LEU 18 -1.682 -1.740 -5.927 1.00 0.00 ATOM 140 O LEU 18 -1.233 -1.108 -9.301 1.00 0.00 ATOM 141 C LEU 18 -2.095 -0.226 -9.299 1.00 0.00 ATOM 142 N ASN 19 -2.739 0.187 -10.394 1.00 0.00 ATOM 143 CA ASN 19 -2.459 -0.397 -11.707 1.00 0.00 ATOM 144 CB ASN 19 -3.312 0.273 -12.785 1.00 0.00 ATOM 145 CG ASN 19 -3.206 -0.420 -14.129 1.00 0.00 ATOM 146 ND2 ASN 19 -2.722 0.304 -15.130 1.00 0.00 ATOM 147 OD1 ASN 19 -3.555 -1.594 -14.260 1.00 0.00 ATOM 148 O ASN 19 -0.404 -0.986 -12.794 1.00 0.00 ATOM 149 C ASN 19 -0.991 -0.207 -12.062 1.00 0.00 ATOM 150 N GLU 20 -0.423 0.859 -11.554 1.00 0.00 ATOM 151 CA GLU 20 0.971 1.219 -11.784 1.00 0.00 ATOM 152 CB GLU 20 1.275 2.638 -11.332 1.00 0.00 ATOM 153 CG GLU 20 2.701 3.119 -11.649 1.00 0.00 ATOM 154 CD GLU 20 3.092 2.991 -13.128 1.00 0.00 ATOM 155 OE1 GLU 20 2.211 3.063 -14.011 1.00 0.00 ATOM 156 OE2 GLU 20 4.302 2.829 -13.411 1.00 0.00 ATOM 157 O GLU 20 2.989 -0.092 -11.618 1.00 0.00 ATOM 158 C GLU 20 1.869 0.119 -11.197 1.00 0.00 ATOM 159 N TRP 21 1.352 -0.589 -10.214 1.00 0.00 ATOM 160 CA TRP 21 2.104 -1.628 -9.562 1.00 0.00 ATOM 161 CB TRP 21 1.137 -2.290 -8.411 1.00 0.00 ATOM 162 CG TRP 21 1.722 -3.362 -7.553 1.00 0.00 ATOM 163 CD1 TRP 21 1.423 -4.701 -7.594 1.00 0.00 ATOM 164 CD2 TRP 21 2.669 -3.195 -6.491 1.00 0.00 ATOM 165 CE2 TRP 21 2.894 -4.475 -5.929 1.00 0.00 ATOM 166 CE3 TRP 21 3.348 -2.087 -5.958 1.00 0.00 ATOM 167 NE1 TRP 21 2.124 -5.373 -6.625 1.00 0.00 ATOM 168 CZ2 TRP 21 3.769 -4.681 -4.855 1.00 0.00 ATOM 169 CZ3 TRP 21 4.222 -2.292 -4.885 1.00 0.00 ATOM 170 CH2 TRP 21 4.422 -3.579 -4.345 1.00 0.00 ATOM 171 O TRP 21 2.828 -3.645 -10.606 1.00 0.00 ATOM 172 C TRP 21 1.886 -2.944 -10.293 1.00 0.00 ATOM 173 N TRP 22 0.645 -3.280 -10.592 1.00 0.00 ATOM 174 CA TRP 22 0.390 -4.544 -11.233 1.00 0.00 ATOM 175 CB TRP 22 0.613 -5.696 -10.253 1.00 0.00 ATOM 176 CG TRP 22 0.548 -7.049 -10.890 1.00 0.00 ATOM 177 CD1 TRP 22 -0.479 -7.947 -10.806 1.00 0.00 ATOM 178 CD2 TRP 22 1.548 -7.662 -11.713 1.00 0.00 ATOM 179 CE2 TRP 22 1.063 -8.928 -12.091 1.00 0.00 ATOM 180 CE3 TRP 22 2.811 -7.263 -12.164 1.00 0.00 ATOM 181 NE1 TRP 22 -0.180 -9.079 -11.526 1.00 0.00 ATOM 182 CZ2 TRP 22 1.793 -9.799 -12.899 1.00 0.00 ATOM 183 CZ3 TRP 22 3.531 -8.128 -12.966 1.00 0.00 ATOM 184 CH2 TRP 22 3.024 -9.382 -13.327 1.00 0.00 ATOM 185 O TRP 22 -1.639 -3.587 -12.010 1.00 0.00 ATOM 186 C TRP 22 -1.036 -4.614 -11.731 1.00 0.00 ATOM 187 N GLY 23 -1.566 -5.833 -11.836 1.00 0.00 ATOM 188 CA GLY 23 -2.927 -6.063 -12.287 1.00 0.00 ATOM 189 O GLY 23 -3.698 -6.717 -10.093 1.00 0.00 ATOM 190 C GLY 23 -3.885 -6.025 -11.100 1.00 0.00 ATOM 191 N GLY 24 -4.922 -5.201 -11.221 1.00 0.00 ATOM 192 CA GLY 24 -5.883 -5.083 -10.128 1.00 0.00 ATOM 193 O GLY 24 -7.751 -6.439 -9.482 1.00 0.00 ATOM 194 C GLY 24 -7.163 -5.861 -10.401 1.00 0.00 ATOM 195 N ARG 25 -7.598 -5.884 -11.656 1.00 0.00 ATOM 196 CA ARG 25 -8.792 -6.629 -11.993 1.00 0.00 ATOM 197 CB ARG 25 -9.081 -7.829 -11.559 1.00 0.00 ATOM 198 CG ARG 25 -10.062 -8.517 -12.431 1.00 0.00 ATOM 199 CD ARG 25 -10.408 -9.911 -11.964 1.00 0.00 ATOM 200 NE ARG 25 -9.241 -10.773 -11.740 1.00 0.00 ATOM 201 CZ ARG 25 -8.642 -11.473 -12.692 1.00 0.00 ATOM 202 NH1 ARG 25 -9.059 -11.400 -13.958 1.00 0.00 ATOM 203 NH2 ARG 25 -7.579 -12.214 -12.396 1.00 0.00 ATOM 204 O ARG 25 -10.256 -4.810 -11.327 1.00 0.00 ATOM 205 C ARG 25 -10.138 -5.990 -11.672 1.00 0.00 ATOM 206 N GLN 26 -11.178 -6.799 -11.816 1.00 0.00 ATOM 207 CA GLN 26 -12.548 -6.368 -11.562 1.00 0.00 ATOM 208 CB GLN 26 -13.539 -7.281 -12.288 1.00 0.00 ATOM 209 CG GLN 26 -14.990 -6.855 -12.147 1.00 0.00 ATOM 210 CD GLN 26 -15.938 -7.743 -12.930 1.00 0.00 ATOM 211 OE1 GLN 26 -15.512 -8.698 -13.580 1.00 0.00 ATOM 212 NE2 GLN 26 -17.227 -7.428 -12.875 1.00 0.00 ATOM 213 O GLN 26 -12.549 -7.435 -9.421 1.00 0.00 ATOM 214 C GLN 26 -12.825 -6.425 -10.069 1.00 0.00 ATOM 215 N LEU 27 -13.359 -5.355 -9.500 1.00 0.00 ATOM 216 CA LEU 27 -13.687 -5.318 -8.088 1.00 0.00 ATOM 217 CB LEU 27 -12.789 -4.303 -7.358 1.00 0.00 ATOM 218 CG LEU 27 -11.317 -4.634 -7.052 1.00 0.00 ATOM 219 CD1 LEU 27 -10.556 -4.908 -8.315 1.00 0.00 ATOM 220 CD2 LEU 27 -10.666 -3.468 -6.311 1.00 0.00 ATOM 221 O LEU 27 -15.685 -4.329 -8.961 1.00 0.00 ATOM 222 C LEU 27 -15.130 -4.853 -7.997 1.00 0.00 ATOM 223 N LYS 28 -15.740 -5.064 -6.850 1.00 0.00 ATOM 224 CA LYS 28 -17.124 -4.633 -6.645 1.00 0.00 ATOM 225 CB LYS 28 -18.064 -5.840 -6.625 1.00 0.00 ATOM 226 CG LYS 28 -18.123 -6.605 -7.936 1.00 0.00 ATOM 227 CD LYS 28 -19.083 -7.779 -7.849 1.00 0.00 ATOM 228 CE LYS 28 -19.141 -8.543 -9.161 1.00 0.00 ATOM 229 NZ LYS 28 -20.069 -9.705 -9.087 1.00 0.00 ATOM 230 O LYS 28 -16.355 -4.064 -4.401 1.00 0.00 ATOM 231 C LYS 28 -17.223 -3.886 -5.295 1.00 0.00 ATOM 232 N GLU 29 -18.273 -3.073 -5.209 1.00 0.00 ATOM 233 CA GLU 29 -18.585 -2.355 -3.972 1.00 0.00 ATOM 234 CB GLU 29 -20.018 -1.815 -4.011 1.00 0.00 ATOM 235 CG GLU 29 -20.236 -0.705 -5.024 1.00 0.00 ATOM 236 CD GLU 29 -21.677 -0.234 -5.073 1.00 0.00 ATOM 237 OE1 GLU 29 -22.513 -0.812 -4.348 1.00 0.00 ATOM 238 OE2 GLU 29 -21.968 0.712 -5.834 1.00 0.00 ATOM 239 O GLU 29 -18.128 -2.771 -1.648 1.00 0.00 ATOM 240 C GLU 29 -18.465 -3.239 -2.739 1.00 0.00 ATOM 241 N LYS 30 -18.742 -4.520 -2.894 1.00 0.00 ATOM 242 CA LYS 30 -18.666 -5.416 -1.740 1.00 0.00 ATOM 243 CB LYS 30 -19.360 -6.743 -2.046 1.00 0.00 ATOM 244 CG LYS 30 -19.376 -7.720 -0.880 1.00 0.00 ATOM 245 CD LYS 30 -20.128 -8.991 -1.234 1.00 0.00 ATOM 246 CE LYS 30 -20.130 -9.973 -0.074 1.00 0.00 ATOM 247 NZ LYS 30 -20.873 -11.220 -0.403 1.00 0.00 ATOM 248 O LYS 30 -16.866 -5.681 -0.188 1.00 0.00 ATOM 249 C LYS 30 -17.232 -5.724 -1.356 1.00 0.00 ATOM 250 N LEU 31 -16.433 -6.061 -2.351 1.00 0.00 ATOM 251 CA LEU 31 -15.006 -6.370 -2.082 1.00 0.00 ATOM 252 CB LEU 31 -14.398 -7.156 -3.221 1.00 0.00 ATOM 253 CG LEU 31 -14.532 -8.703 -3.129 1.00 0.00 ATOM 254 CD1 LEU 31 -15.981 -9.141 -3.286 1.00 0.00 ATOM 255 CD2 LEU 31 -13.561 -9.375 -4.073 1.00 0.00 ATOM 256 O LEU 31 -13.639 -5.118 -0.649 1.00 0.00 ATOM 257 C LEU 31 -14.249 -5.109 -1.719 1.00 0.00 ATOM 258 N PRO 32 -14.227 -4.039 -2.497 1.00 0.00 ATOM 259 CA PRO 32 -13.534 -2.825 -2.063 1.00 0.00 ATOM 260 CB PRO 32 -14.006 -1.788 -3.098 1.00 0.00 ATOM 261 CG PRO 32 -14.345 -2.595 -4.310 1.00 0.00 ATOM 262 CD PRO 32 -14.960 -3.860 -3.768 1.00 0.00 ATOM 263 O PRO 32 -13.169 -1.882 0.081 1.00 0.00 ATOM 264 C PRO 32 -13.990 -2.320 -0.710 1.00 0.00 ATOM 265 N ARG 33 -15.290 -2.325 -0.406 1.00 0.00 ATOM 266 CA ARG 33 -15.767 -1.874 0.905 1.00 0.00 ATOM 267 CB ARG 33 -17.294 -1.920 0.965 1.00 0.00 ATOM 268 CG ARG 33 -17.983 -0.870 0.110 1.00 0.00 ATOM 269 CD ARG 33 -19.495 -0.987 0.201 1.00 0.00 ATOM 270 NE ARG 33 -20.171 0.005 -0.631 1.00 0.00 ATOM 271 CZ ARG 33 -21.488 0.061 -0.805 1.00 0.00 ATOM 272 NH1 ARG 33 -22.015 0.999 -1.579 1.00 0.00 ATOM 273 NH2 ARG 33 -22.275 -0.821 -0.204 1.00 0.00 ATOM 274 O ARG 33 -14.924 -2.316 3.121 1.00 0.00 ATOM 275 C ARG 33 -15.210 -2.772 2.013 1.00 0.00 ATOM 276 N LEU 34 -15.080 -4.058 1.721 1.00 0.00 ATOM 277 CA LEU 34 -14.526 -4.985 2.696 1.00 0.00 ATOM 278 CB LEU 34 -14.723 -6.428 2.233 1.00 0.00 ATOM 279 CG LEU 34 -16.160 -6.959 2.254 1.00 0.00 ATOM 280 CD1 LEU 34 -16.227 -8.354 1.652 1.00 0.00 ATOM 281 CD2 LEU 34 -16.685 -7.031 3.678 1.00 0.00 ATOM 282 O LEU 34 -12.494 -4.558 3.876 1.00 0.00 ATOM 283 C LEU 34 -13.047 -4.635 2.788 1.00 0.00 ATOM 284 N PHE 35 -12.394 -4.428 1.651 1.00 0.00 ATOM 285 CA PHE 35 -10.984 -4.060 1.620 1.00 0.00 ATOM 286 CB PHE 35 -10.515 -4.007 0.160 1.00 0.00 ATOM 287 CG PHE 35 -9.032 -3.822 -0.014 1.00 0.00 ATOM 288 CD1 PHE 35 -8.123 -4.493 0.803 1.00 0.00 ATOM 289 CD2 PHE 35 -8.543 -3.066 -1.077 1.00 0.00 ATOM 290 CE1 PHE 35 -6.754 -4.421 0.555 1.00 0.00 ATOM 291 CE2 PHE 35 -7.175 -2.990 -1.333 1.00 0.00 ATOM 292 CZ PHE 35 -6.280 -3.669 -0.516 1.00 0.00 ATOM 293 O PHE 35 -9.814 -2.590 3.113 1.00 0.00 ATOM 294 C PHE 35 -10.757 -2.725 2.339 1.00 0.00 ATOM 295 N PHE 36 -11.623 -1.743 2.102 1.00 0.00 ATOM 296 CA PHE 36 -11.491 -0.455 2.779 1.00 0.00 ATOM 297 CB PHE 36 -12.335 0.599 2.063 1.00 0.00 ATOM 298 CG PHE 36 -11.923 0.817 0.620 1.00 0.00 ATOM 299 CD1 PHE 36 -12.506 0.089 -0.429 1.00 0.00 ATOM 300 CD2 PHE 36 -10.933 1.753 0.320 1.00 0.00 ATOM 301 CE1 PHE 36 -12.097 0.317 -1.771 1.00 0.00 ATOM 302 CE2 PHE 36 -10.523 1.979 -0.997 1.00 0.00 ATOM 303 CZ PHE 36 -11.110 1.256 -2.053 1.00 0.00 ATOM 304 O PHE 36 -11.184 0.039 5.103 1.00 0.00 ATOM 305 C PHE 36 -11.857 -0.549 4.250 1.00 0.00 ATOM 306 N GLU 37 -12.943 -1.276 4.540 1.00 0.00 ATOM 307 CA GLU 37 -13.367 -1.482 5.915 1.00 0.00 ATOM 308 CB GLU 37 -14.490 -2.517 5.990 1.00 0.00 ATOM 309 CG GLU 37 -14.997 -2.691 7.404 1.00 0.00 ATOM 310 CD GLU 37 -15.965 -3.849 7.579 1.00 0.00 ATOM 311 OE1 GLU 37 -16.869 -4.039 6.742 1.00 0.00 ATOM 312 OE2 GLU 37 -15.824 -4.554 8.591 1.00 0.00 ATOM 313 O GLU 37 -12.095 -1.233 7.952 1.00 0.00 ATOM 314 C GLU 37 -12.253 -1.871 6.904 1.00 0.00 ATOM 315 N HIS 38 -11.470 -2.896 6.601 1.00 0.00 ATOM 316 CA HIS 38 -10.414 -3.350 7.492 1.00 0.00 ATOM 317 CB HIS 38 -10.781 -4.711 8.107 1.00 0.00 ATOM 318 CG HIS 38 -11.648 -4.582 9.321 1.00 0.00 ATOM 319 CD2 HIS 38 -12.974 -4.825 9.485 1.00 0.00 ATOM 320 ND1 HIS 38 -11.221 -4.039 10.518 1.00 0.00 ATOM 321 CE1 HIS 38 -12.266 -3.949 11.339 1.00 0.00 ATOM 322 NE2 HIS 38 -13.349 -4.416 10.756 1.00 0.00 ATOM 323 O HIS 38 -8.116 -4.055 7.404 1.00 0.00 ATOM 324 C HIS 38 -9.004 -3.370 6.890 1.00 0.00 ATOM 325 N PHE 39 -8.787 -2.632 5.801 1.00 0.00 ATOM 326 CA PHE 39 -7.447 -2.572 5.204 1.00 0.00 ATOM 327 CB PHE 39 -7.117 -2.526 3.950 1.00 0.00 ATOM 328 CG PHE 39 -6.843 -3.941 3.470 1.00 0.00 ATOM 329 CD1 PHE 39 -7.731 -4.572 2.618 1.00 0.00 ATOM 330 CD2 PHE 39 -5.705 -4.640 3.850 1.00 0.00 ATOM 331 CE1 PHE 39 -7.490 -5.856 2.154 1.00 0.00 ATOM 332 CE2 PHE 39 -5.457 -5.908 3.413 1.00 0.00 ATOM 333 CZ PHE 39 -6.362 -6.511 2.549 1.00 0.00 ATOM 334 O PHE 39 -7.041 -0.566 6.486 1.00 0.00 ATOM 335 C PHE 39 -6.598 -1.665 6.090 1.00 0.00 ATOM 336 N GLN 40 -5.404 -2.146 6.432 1.00 0.00 ATOM 337 CA GLN 40 -4.486 -1.392 7.288 1.00 0.00 ATOM 338 CB GLN 40 -3.658 -2.327 8.162 1.00 0.00 ATOM 339 CG GLN 40 -4.430 -2.976 9.307 1.00 0.00 ATOM 340 CD GLN 40 -4.918 -1.876 10.247 1.00 0.00 ATOM 341 OE1 GLN 40 -4.111 -1.242 10.929 1.00 0.00 ATOM 342 NE2 GLN 40 -6.209 -1.627 10.226 1.00 0.00 ATOM 343 O GLN 40 -2.797 0.280 7.150 1.00 0.00 ATOM 344 C GLN 40 -3.589 -0.431 6.524 1.00 0.00 ATOM 345 N ASP 41 -4.028 0.926 5.515 1.00 0.00 ATOM 346 CA ASP 41 -4.062 1.350 4.102 1.00 0.00 ATOM 347 CB ASP 41 -5.232 0.664 3.391 1.00 0.00 ATOM 348 CG ASP 41 -5.380 1.132 1.946 1.00 0.00 ATOM 349 OD1 ASP 41 -4.588 1.982 1.468 1.00 0.00 ATOM 350 OD2 ASP 41 -6.312 0.641 1.291 1.00 0.00 ATOM 351 O ASP 41 -5.349 3.323 4.096 1.00 0.00 ATOM 352 C ASP 41 -4.263 2.808 3.923 1.00 0.00 ATOM 353 N THR 42 -3.185 3.466 3.543 1.00 0.00 ATOM 354 CA THR 42 -3.182 4.899 3.394 1.00 0.00 ATOM 355 CB THR 42 -1.895 5.524 3.966 1.00 0.00 ATOM 356 CG2 THR 42 -1.760 5.203 5.445 1.00 0.00 ATOM 357 OG1 THR 42 -0.758 5.000 3.271 1.00 0.00 ATOM 358 O THR 42 -2.838 4.729 1.073 1.00 0.00 ATOM 359 C THR 42 -3.272 5.391 1.977 1.00 0.00 ATOM 360 N SER 43 -3.882 6.551 1.793 1.00 0.00 ATOM 361 CA SER 43 -3.856 7.183 0.500 1.00 0.00 ATOM 362 CB SER 43 -5.252 7.180 -0.126 1.00 0.00 ATOM 363 OG SER 43 -5.709 5.856 -0.349 1.00 0.00 ATOM 364 O SER 43 -3.757 9.193 1.823 1.00 0.00 ATOM 365 C SER 43 -3.370 8.595 0.796 1.00 0.00 ATOM 366 N PHE 44 -2.484 9.110 -0.066 1.00 0.00 ATOM 367 CA PHE 44 -2.065 10.480 0.060 1.00 0.00 ATOM 368 CB PHE 44 -0.576 10.615 -0.264 1.00 0.00 ATOM 369 CG PHE 44 -0.060 12.024 -0.161 1.00 0.00 ATOM 370 CD1 PHE 44 0.213 12.589 1.072 1.00 0.00 ATOM 371 CD2 PHE 44 0.153 12.782 -1.298 1.00 0.00 ATOM 372 CE1 PHE 44 0.688 13.883 1.167 1.00 0.00 ATOM 373 CE2 PHE 44 0.628 14.076 -1.205 1.00 0.00 ATOM 374 CZ PHE 44 0.894 14.627 0.021 1.00 0.00 ATOM 375 O PHE 44 -3.061 10.656 -2.126 1.00 0.00 ATOM 376 C PHE 44 -2.978 11.139 -0.976 1.00 0.00 ATOM 377 N ILE 45 -3.691 12.203 -0.567 1.00 0.00 ATOM 378 CA ILE 45 -4.620 12.889 -1.447 1.00 0.00 ATOM 379 CB ILE 45 -6.021 13.024 -0.807 1.00 0.00 ATOM 380 CG1 ILE 45 -6.443 11.687 -0.197 1.00 0.00 ATOM 381 CG2 ILE 45 -7.043 13.531 -1.824 1.00 0.00 ATOM 382 CD1 ILE 45 -6.887 11.805 1.194 1.00 0.00 ATOM 383 O ILE 45 -3.885 15.096 -0.899 1.00 0.00 ATOM 384 C ILE 45 -4.287 14.319 -1.780 1.00 0.00 ATOM 385 N THR 46 -4.470 14.671 -3.048 1.00 0.00 ATOM 386 CA THR 46 -4.273 16.060 -3.458 1.00 0.00 ATOM 387 CB THR 46 -4.113 16.180 -4.985 1.00 0.00 ATOM 388 CG2 THR 46 -3.900 17.631 -5.386 1.00 0.00 ATOM 389 OG1 THR 46 -2.981 15.411 -5.413 1.00 0.00 ATOM 390 O THR 46 -6.644 16.542 -3.458 1.00 0.00 ATOM 391 C THR 46 -5.541 16.799 -2.977 1.00 0.00 ATOM 392 N SER 47 -5.366 17.686 -2.010 1.00 0.00 ATOM 393 CA SER 47 -6.463 18.433 -1.446 1.00 0.00 ATOM 394 CB SER 47 -5.957 19.396 -0.370 1.00 0.00 ATOM 395 OG SER 47 -5.127 20.398 -0.932 1.00 0.00 ATOM 396 O SER 47 -8.401 19.513 -2.392 1.00 0.00 ATOM 397 C SER 47 -7.205 19.270 -2.502 1.00 0.00 ATOM 398 N GLU 48 -6.479 19.694 -3.523 1.00 0.00 ATOM 399 CA GLU 48 -7.006 20.529 -4.599 1.00 0.00 ATOM 400 CB GLU 48 -5.966 20.693 -5.710 1.00 0.00 ATOM 401 CG GLU 48 -4.773 21.550 -5.320 1.00 0.00 ATOM 402 CD GLU 48 -3.740 21.647 -6.427 1.00 0.00 ATOM 403 OE1 GLU 48 -3.934 21.002 -7.478 1.00 0.00 ATOM 404 OE2 GLU 48 -2.737 22.369 -6.241 1.00 0.00 ATOM 405 O GLU 48 -9.131 20.806 -5.660 1.00 0.00 ATOM 406 C GLU 48 -8.260 20.033 -5.302 1.00 0.00 ATOM 407 N HIS 49 -8.313 18.730 -5.528 1.00 0.00 ATOM 408 CA HIS 49 -9.403 18.115 -6.249 1.00 0.00 ATOM 409 CB HIS 49 -9.008 17.865 -7.704 1.00 0.00 ATOM 410 CG HIS 49 -8.621 19.104 -8.447 1.00 0.00 ATOM 411 CD2 HIS 49 -9.336 20.179 -9.120 1.00 0.00 ATOM 412 ND1 HIS 49 -7.308 19.477 -8.640 1.00 0.00 ATOM 413 CE1 HIS 49 -7.276 20.628 -9.337 1.00 0.00 ATOM 414 NE2 HIS 49 -8.491 21.054 -9.628 1.00 0.00 ATOM 415 O HIS 49 -10.411 15.967 -6.206 1.00 0.00 ATOM 416 C HIS 49 -9.750 16.794 -5.597 1.00 0.00 ATOM 417 N ASN 50 -9.312 16.606 -4.358 1.00 0.00 ATOM 418 CA ASN 50 -9.533 15.340 -3.671 1.00 0.00 ATOM 419 CB ASN 50 -10.997 15.210 -3.243 1.00 0.00 ATOM 420 CG ASN 50 -11.391 16.237 -2.199 1.00 0.00 ATOM 421 ND2 ASN 50 -12.294 17.139 -2.569 1.00 0.00 ATOM 422 OD1 ASN 50 -10.889 16.219 -1.075 1.00 0.00 ATOM 423 O ASN 50 -10.002 13.178 -4.673 1.00 0.00 ATOM 424 C ASN 50 -9.201 14.113 -4.565 1.00 0.00 ATOM 425 N SER 51 -8.017 14.122 -5.198 1.00 0.00 ATOM 426 CA SER 51 -7.601 13.016 -6.051 1.00 0.00 ATOM 427 CB SER 51 -7.114 13.536 -7.404 1.00 0.00 ATOM 428 OG SER 51 -8.168 14.155 -8.122 1.00 0.00 ATOM 429 O SER 51 -5.598 12.886 -4.787 1.00 0.00 ATOM 430 C SER 51 -6.484 12.275 -5.372 1.00 0.00 ATOM 431 N MET 52 -6.561 10.951 -5.426 1.00 0.00 ATOM 432 CA MET 52 -5.585 10.068 -4.793 1.00 0.00 ATOM 433 CB MET 52 -6.076 8.619 -4.823 1.00 0.00 ATOM 434 CG MET 52 -5.167 7.643 -4.094 1.00 0.00 ATOM 435 SD MET 52 -5.787 5.951 -4.139 1.00 0.00 ATOM 436 CE MET 52 -7.222 6.087 -3.078 1.00 0.00 ATOM 437 O MET 52 -4.209 9.885 -6.714 1.00 0.00 ATOM 438 C MET 52 -4.275 10.160 -5.538 1.00 0.00 ATOM 439 N THR 53 -3.236 10.609 -4.839 1.00 0.00 ATOM 440 CA THR 53 -1.942 10.770 -5.479 1.00 0.00 ATOM 441 CB THR 53 -1.129 11.857 -4.830 1.00 0.00 ATOM 442 CG2 THR 53 -1.924 13.150 -5.047 1.00 0.00 ATOM 443 OG1 THR 53 -0.978 11.587 -3.435 1.00 0.00 ATOM 444 O THR 53 -0.100 9.357 -5.987 1.00 0.00 ATOM 445 C THR 53 -1.040 9.552 -5.239 1.00 0.00 ATOM 446 N GLY 54 -1.371 8.728 -4.235 1.00 0.00 ATOM 447 CA GLY 54 -0.558 7.574 -3.871 1.00 0.00 ATOM 448 O GLY 54 -2.004 7.226 -2.020 1.00 0.00 ATOM 449 C GLY 54 -1.194 6.741 -2.775 1.00 0.00 ATOM 450 N PHE 55 -0.836 5.465 -2.710 1.00 0.00 ATOM 451 CA PHE 55 -1.355 4.584 -1.686 1.00 0.00 ATOM 452 CB PHE 55 -2.622 3.844 -2.142 1.00 0.00 ATOM 453 CG PHE 55 -2.395 2.662 -3.076 1.00 0.00 ATOM 454 CD1 PHE 55 -1.853 2.839 -4.346 1.00 0.00 ATOM 455 CD2 PHE 55 -2.750 1.371 -2.677 1.00 0.00 ATOM 456 CE1 PHE 55 -1.666 1.752 -5.203 1.00 0.00 ATOM 457 CE2 PHE 55 -2.569 0.271 -3.528 1.00 0.00 ATOM 458 CZ PHE 55 -2.024 0.461 -4.793 1.00 0.00 ATOM 459 O PHE 55 0.729 3.428 -2.020 1.00 0.00 ATOM 460 C PHE 55 -0.218 3.673 -1.265 1.00 0.00 ATOM 461 N LEU 56 -0.318 3.197 -0.044 1.00 0.00 ATOM 462 CA LEU 56 0.661 2.306 0.538 1.00 0.00 ATOM 463 CB LEU 56 1.917 3.081 0.940 1.00 0.00 ATOM 464 CG LEU 56 3.026 2.273 1.617 1.00 0.00 ATOM 465 CD1 LEU 56 3.572 1.214 0.673 1.00 0.00 ATOM 466 CD2 LEU 56 4.176 3.179 2.032 1.00 0.00 ATOM 467 O LEU 56 -0.945 2.299 2.293 1.00 0.00 ATOM 468 C LEU 56 -0.026 1.699 1.757 1.00 0.00 ATOM 469 N ILE 57 0.398 0.513 2.190 1.00 0.00 ATOM 470 CA ILE 57 -0.196 -0.159 3.362 1.00 0.00 ATOM 471 CB ILE 57 -0.730 -1.510 2.869 1.00 0.00 ATOM 472 CG1 ILE 57 -1.906 -1.275 1.938 1.00 0.00 ATOM 473 CG2 ILE 57 -1.219 -2.343 4.046 1.00 0.00 ATOM 474 CD1 ILE 57 -2.352 -2.600 1.342 1.00 0.00 ATOM 475 O ILE 57 2.054 -0.889 3.867 1.00 0.00 ATOM 476 C ILE 57 0.910 -0.668 4.290 1.00 0.00 ATOM 477 N GLY 58 0.600 -0.805 5.568 1.00 0.00 ATOM 478 CA GLY 58 1.563 -1.415 6.459 1.00 0.00 ATOM 479 O GLY 58 -0.243 -1.954 7.932 1.00 0.00 ATOM 480 C GLY 58 0.733 -2.345 7.313 1.00 0.00 ATOM 481 N PHE 59 1.092 -3.613 7.256 1.00 0.00 ATOM 482 CA PHE 59 0.424 -4.652 7.958 1.00 0.00 ATOM 483 CB PHE 59 0.335 -5.911 7.092 1.00 0.00 ATOM 484 CG PHE 59 -0.355 -7.062 7.766 1.00 0.00 ATOM 485 CD1 PHE 59 -1.734 -7.100 7.869 1.00 0.00 ATOM 486 CD2 PHE 59 0.378 -8.110 8.299 1.00 0.00 ATOM 487 CE1 PHE 59 -2.367 -8.157 8.490 1.00 0.00 ATOM 488 CE2 PHE 59 -0.256 -9.167 8.919 1.00 0.00 ATOM 489 CZ PHE 59 -1.623 -9.197 9.016 1.00 0.00 ATOM 490 O PHE 59 2.409 -5.142 9.203 1.00 0.00 ATOM 491 C PHE 59 1.182 -4.989 9.222 1.00 0.00 ATOM 492 N GLN 60 0.458 -5.111 10.322 1.00 0.00 ATOM 493 CA GLN 60 1.070 -5.406 11.608 1.00 0.00 ATOM 494 CB GLN 60 0.861 -4.243 12.580 1.00 0.00 ATOM 495 CG GLN 60 1.476 -4.461 13.952 1.00 0.00 ATOM 496 CD GLN 60 1.304 -3.263 14.865 1.00 0.00 ATOM 497 OE1 GLN 60 0.707 -2.258 14.482 1.00 0.00 ATOM 498 NE2 GLN 60 1.831 -3.367 16.081 1.00 0.00 ATOM 499 O GLN 60 -0.759 -6.720 12.415 1.00 0.00 ATOM 500 C GLN 60 0.457 -6.655 12.215 1.00 0.00 ATOM 501 N SER 61 1.304 -7.645 12.494 1.00 0.00 ATOM 502 CA SER 61 0.870 -8.913 13.085 1.00 0.00 ATOM 503 CB SER 61 1.743 -10.064 12.584 1.00 0.00 ATOM 504 OG SER 61 1.589 -10.252 11.187 1.00 0.00 ATOM 505 O SER 61 1.914 -8.320 15.160 1.00 0.00 ATOM 506 C SER 61 0.965 -8.873 14.607 1.00 0.00 ATOM 507 N GLN 62 -0.020 -9.474 15.265 1.00 0.00 ATOM 508 CA GLN 62 -0.062 -9.514 16.726 1.00 0.00 ATOM 509 CB GLN 62 -1.441 -9.971 17.210 1.00 0.00 ATOM 510 CG GLN 62 -2.561 -8.993 16.899 1.00 0.00 ATOM 511 CD GLN 62 -3.920 -9.508 17.334 1.00 0.00 ATOM 512 OE1 GLN 62 -4.037 -10.618 17.851 1.00 0.00 ATOM 513 NE2 GLN 62 -4.952 -8.701 17.122 1.00 0.00 ATOM 514 O GLN 62 1.295 -10.434 18.485 1.00 0.00 ATOM 515 C GLN 62 0.978 -10.484 17.297 1.00 0.00 ATOM 516 N SER 63 1.519 -11.376 16.468 1.00 0.00 ATOM 517 CA SER 63 2.503 -12.361 16.894 1.00 0.00 ATOM 518 CB SER 63 3.057 -13.120 15.686 1.00 0.00 ATOM 519 OG SER 63 4.024 -14.077 16.084 1.00 0.00 ATOM 520 O SER 63 4.056 -12.204 18.806 1.00 0.00 ATOM 521 C SER 63 3.764 -11.854 17.642 1.00 0.00 ATOM 522 N ASP 64 4.449 -10.935 16.987 1.00 0.00 ATOM 523 CA ASP 64 5.702 -10.412 17.521 1.00 0.00 ATOM 524 CB ASP 64 6.767 -10.349 16.423 1.00 0.00 ATOM 525 CG ASP 64 7.137 -11.719 15.892 1.00 0.00 ATOM 526 OD1 ASP 64 7.679 -12.530 16.671 1.00 0.00 ATOM 527 OD2 ASP 64 6.887 -11.982 14.697 1.00 0.00 ATOM 528 O ASP 64 4.754 -8.196 17.610 1.00 0.00 ATOM 529 C ASP 64 5.566 -8.990 18.101 1.00 0.00 ATOM 530 N PRO 65 6.297 -8.671 19.153 1.00 0.00 ATOM 531 CA PRO 65 6.210 -7.319 19.748 1.00 0.00 ATOM 532 CB PRO 65 7.179 -7.372 20.931 1.00 0.00 ATOM 533 CG PRO 65 8.231 -8.342 20.508 1.00 0.00 ATOM 534 CD PRO 65 7.509 -9.468 19.822 1.00 0.00 ATOM 535 O PRO 65 7.485 -6.557 17.849 1.00 0.00 ATOM 536 C PRO 65 6.623 -6.295 18.708 1.00 0.00 ATOM 537 N GLU 66 6.122 -6.931 17.817 1.00 0.00 ATOM 538 CA GLU 66 5.353 -6.538 16.661 1.00 0.00 ATOM 539 CB GLU 66 4.473 -5.333 16.971 1.00 0.00 ATOM 540 CG GLU 66 3.016 -5.592 16.674 1.00 0.00 ATOM 541 CD GLU 66 2.339 -6.371 17.773 1.00 0.00 ATOM 542 OE1 GLU 66 1.946 -5.737 18.771 1.00 0.00 ATOM 543 OE2 GLU 66 2.214 -7.610 17.652 1.00 0.00 ATOM 544 O GLU 66 7.364 -5.647 15.645 1.00 0.00 ATOM 545 C GLU 66 6.309 -6.279 15.491 1.00 0.00 ATOM 546 N THR 67 5.943 -6.778 14.318 1.00 0.00 ATOM 547 CA THR 67 6.748 -6.510 13.156 1.00 0.00 ATOM 548 CB THR 67 7.400 -7.793 12.611 1.00 0.00 ATOM 549 CG2 THR 67 8.248 -7.481 11.388 1.00 0.00 ATOM 550 OG1 THR 67 8.237 -8.374 13.620 1.00 0.00 ATOM 551 O THR 67 4.758 -6.476 11.795 1.00 0.00 ATOM 552 C THR 67 5.819 -5.913 12.102 1.00 0.00 ATOM 553 N ALA 68 6.218 -4.790 11.555 1.00 0.00 ATOM 554 CA ALA 68 5.428 -4.164 10.503 1.00 0.00 ATOM 555 CB ALA 68 5.570 -2.650 10.563 1.00 0.00 ATOM 556 O ALA 68 7.046 -4.930 8.845 1.00 0.00 ATOM 557 C ALA 68 5.871 -4.623 9.091 1.00 0.00 ATOM 558 N TYR 69 4.930 -4.687 8.163 1.00 0.00 ATOM 559 CA TYR 69 5.240 -5.120 6.823 1.00 0.00 ATOM 560 CB TYR 69 4.783 -6.588 6.595 1.00 0.00 ATOM 561 CG TYR 69 4.829 -7.430 7.852 1.00 0.00 ATOM 562 CD1 TYR 69 3.818 -7.340 8.807 1.00 0.00 ATOM 563 CD2 TYR 69 5.912 -8.277 8.116 1.00 0.00 ATOM 564 CE1 TYR 69 3.879 -8.064 9.996 1.00 0.00 ATOM 565 CE2 TYR 69 5.983 -9.006 9.303 1.00 0.00 ATOM 566 CZ TYR 69 4.961 -8.891 10.238 1.00 0.00 ATOM 567 OH TYR 69 5.027 -9.595 11.420 1.00 0.00 ATOM 568 O TYR 69 3.466 -3.972 5.668 1.00 0.00 ATOM 569 C TYR 69 4.671 -4.085 5.846 1.00 0.00 ATOM 570 N ILE 70 5.540 -3.325 5.213 1.00 0.00 ATOM 571 CA ILE 70 5.053 -2.350 4.242 1.00 0.00 ATOM 572 CB ILE 70 6.133 -1.255 4.040 1.00 0.00 ATOM 573 CG1 ILE 70 6.465 -0.602 5.389 1.00 0.00 ATOM 574 CG2 ILE 70 5.660 -0.206 3.039 1.00 0.00 ATOM 575 CD1 ILE 70 7.615 0.393 5.331 1.00 0.00 ATOM 576 O ILE 70 5.600 -3.726 2.392 1.00 0.00 ATOM 577 C ILE 70 4.751 -3.049 2.918 1.00 0.00 ATOM 578 N HIS 71 3.533 -2.901 2.412 1.00 0.00 ATOM 579 CA HIS 71 3.092 -3.560 1.185 1.00 0.00 ATOM 580 CB HIS 71 1.901 -4.188 1.262 1.00 0.00 ATOM 581 CG HIS 71 1.176 -4.412 2.549 1.00 0.00 ATOM 582 CD2 HIS 71 -0.047 -3.960 2.937 1.00 0.00 ATOM 583 ND1 HIS 71 1.749 -5.112 3.582 1.00 0.00 ATOM 584 CE1 HIS 71 0.871 -5.087 4.572 1.00 0.00 ATOM 585 NE2 HIS 71 -0.235 -4.405 4.234 1.00 0.00 ATOM 586 O HIS 71 1.989 -1.510 0.605 1.00 0.00 ATOM 587 C HIS 71 2.434 -2.592 0.205 1.00 0.00 ATOM 588 N PHE 72 2.345 -3.017 -1.063 1.00 0.00 ATOM 589 CA PHE 72 1.657 -2.280 -2.125 1.00 0.00 ATOM 590 CB PHE 72 0.845 -3.046 -3.074 1.00 0.00 ATOM 591 CG PHE 72 -0.621 -3.205 -2.843 1.00 0.00 ATOM 592 CD1 PHE 72 -1.126 -4.039 -1.871 1.00 0.00 ATOM 593 CD2 PHE 72 -1.513 -2.507 -3.642 1.00 0.00 ATOM 594 CE1 PHE 72 -2.494 -4.169 -1.687 1.00 0.00 ATOM 595 CE2 PHE 72 -2.874 -2.639 -3.482 1.00 0.00 ATOM 596 CZ PHE 72 -3.365 -3.469 -2.495 1.00 0.00 ATOM 597 O PHE 72 0.895 0.013 -2.217 1.00 0.00 ATOM 598 C PHE 72 1.849 -0.777 -2.267 1.00 0.00 ATOM 599 N SER 73 3.097 -0.384 -2.459 1.00 0.00 ATOM 600 CA SER 73 3.404 1.013 -2.596 1.00 0.00 ATOM 601 CB SER 73 4.868 1.277 -2.236 1.00 0.00 ATOM 602 OG SER 73 5.214 2.631 -2.466 1.00 0.00 ATOM 603 O SER 73 3.749 0.929 -4.875 1.00 0.00 ATOM 604 C SER 73 3.185 1.480 -3.985 1.00 0.00 ATOM 605 N GLY 74 2.384 2.512 -4.188 1.00 0.00 ATOM 606 CA GLY 74 2.182 2.977 -5.554 1.00 0.00 ATOM 607 O GLY 74 1.046 5.001 -4.861 1.00 0.00 ATOM 608 C GLY 74 1.932 4.476 -5.568 1.00 0.00 ATOM 609 N VAL 75 2.748 5.162 -6.347 1.00 0.00 ATOM 610 CA VAL 75 2.597 6.577 -6.532 1.00 0.00 ATOM 611 CB VAL 75 3.961 7.288 -6.581 1.00 0.00 ATOM 612 CG1 VAL 75 3.776 8.776 -6.839 1.00 0.00 ATOM 613 CG2 VAL 75 4.700 7.116 -5.263 1.00 0.00 ATOM 614 O VAL 75 2.210 6.102 -8.867 1.00 0.00 ATOM 615 C VAL 75 1.856 6.720 -7.868 1.00 0.00 ATOM 616 N HIS 76 0.793 7.510 -7.880 1.00 0.00 ATOM 617 CA HIS 76 -0.000 7.667 -9.092 1.00 0.00 ATOM 618 CB HIS 76 -1.209 8.565 -8.826 1.00 0.00 ATOM 619 CG HIS 76 -2.156 8.661 -9.983 1.00 0.00 ATOM 620 CD2 HIS 76 -2.381 9.611 -11.064 1.00 0.00 ATOM 621 ND1 HIS 76 -3.114 7.706 -10.243 1.00 0.00 ATOM 622 CE1 HIS 76 -3.806 8.066 -11.338 1.00 0.00 ATOM 623 NE2 HIS 76 -3.371 9.208 -11.837 1.00 0.00 ATOM 624 O HIS 76 1.750 9.083 -9.895 1.00 0.00 ATOM 625 C HIS 76 0.847 8.293 -10.178 1.00 0.00 ATOM 626 N PRO 77 0.566 7.928 -11.418 1.00 0.00 ATOM 627 CA PRO 77 1.353 8.408 -12.552 1.00 0.00 ATOM 628 CB PRO 77 0.650 7.809 -13.772 1.00 0.00 ATOM 629 CG PRO 77 -0.001 6.570 -13.255 1.00 0.00 ATOM 630 CD PRO 77 -0.488 6.901 -11.871 1.00 0.00 ATOM 631 O PRO 77 2.528 10.418 -13.123 1.00 0.00 ATOM 632 C PRO 77 1.463 9.917 -12.747 1.00 0.00 ATOM 633 N ASP 78 0.386 10.649 -12.497 1.00 0.00 ATOM 634 CA ASP 78 0.465 12.106 -12.678 1.00 0.00 ATOM 635 CB ASP 78 -0.934 12.700 -12.859 1.00 0.00 ATOM 636 CG ASP 78 -1.563 12.315 -14.184 1.00 0.00 ATOM 637 OD1 ASP 78 -2.339 13.125 -14.731 1.00 0.00 ATOM 638 OD2 ASP 78 -1.281 11.199 -14.672 1.00 0.00 ATOM 639 O ASP 78 1.248 14.017 -11.434 1.00 0.00 ATOM 640 C ASP 78 1.112 12.786 -11.470 1.00 0.00 ATOM 641 N PHE 79 1.508 11.988 -10.483 1.00 0.00 ATOM 642 CA PHE 79 2.052 12.556 -9.279 1.00 0.00 ATOM 643 CB PHE 79 1.228 12.127 -8.062 1.00 0.00 ATOM 644 CG PHE 79 -0.203 12.579 -8.112 1.00 0.00 ATOM 645 CD1 PHE 79 -1.200 11.720 -8.541 1.00 0.00 ATOM 646 CD2 PHE 79 -0.553 13.861 -7.729 1.00 0.00 ATOM 647 CE1 PHE 79 -2.517 12.135 -8.585 1.00 0.00 ATOM 648 CE2 PHE 79 -1.871 14.276 -7.774 1.00 0.00 ATOM 649 CZ PHE 79 -2.851 13.419 -8.200 1.00 0.00 ATOM 650 O PHE 79 4.021 12.439 -7.986 1.00 0.00 ATOM 651 C PHE 79 3.457 12.143 -9.021 1.00 0.00 ATOM 652 N ARG 80 4.041 11.453 -9.978 1.00 0.00 ATOM 653 CA ARG 80 5.401 10.987 -9.802 1.00 0.00 ATOM 654 CB ARG 80 6.052 10.149 -10.489 1.00 0.00 ATOM 655 CG ARG 80 6.177 8.995 -9.555 1.00 0.00 ATOM 656 CD ARG 80 6.840 7.825 -10.223 1.00 0.00 ATOM 657 NE ARG 80 6.857 6.696 -9.306 1.00 0.00 ATOM 658 CZ ARG 80 7.800 6.488 -8.394 1.00 0.00 ATOM 659 NH1 ARG 80 8.849 7.306 -8.295 1.00 0.00 ATOM 660 NH2 ARG 80 7.705 5.435 -7.603 1.00 0.00 ATOM 661 O ARG 80 6.030 13.239 -10.198 1.00 0.00 ATOM 662 C ARG 80 6.340 12.140 -9.739 1.00 0.00 ATOM 663 N LYS 81 7.494 11.861 -9.159 1.00 0.00 ATOM 664 CA LYS 81 8.540 12.844 -9.002 1.00 0.00 ATOM 665 CB LYS 81 8.903 13.459 -10.355 1.00 0.00 ATOM 666 CG LYS 81 9.421 12.458 -11.373 1.00 0.00 ATOM 667 CD LYS 81 9.775 13.140 -12.686 1.00 0.00 ATOM 668 CE LYS 81 10.293 12.138 -13.705 1.00 0.00 ATOM 669 NZ LYS 81 10.631 12.790 -15.001 1.00 0.00 ATOM 670 O LYS 81 8.995 14.978 -8.180 1.00 0.00 ATOM 671 C LYS 81 8.257 14.028 -8.105 1.00 0.00 ATOM 672 N MET 82 7.217 14.019 -7.276 1.00 0.00 ATOM 673 CA MET 82 6.955 15.145 -6.413 1.00 0.00 ATOM 674 CB MET 82 5.454 15.298 -6.262 1.00 0.00 ATOM 675 CG MET 82 4.809 15.492 -7.620 1.00 0.00 ATOM 676 SD MET 82 3.234 16.120 -7.411 1.00 0.00 ATOM 677 CE MET 82 3.610 17.793 -6.920 1.00 0.00 ATOM 678 O MET 82 8.006 14.105 -4.537 1.00 0.00 ATOM 679 C MET 82 7.651 15.151 -5.070 1.00 0.00 ATOM 680 N GLN 83 8.601 13.790 -4.062 1.00 0.00 ATOM 681 CA GLN 83 8.675 13.327 -2.692 1.00 0.00 ATOM 682 CB GLN 83 9.527 14.844 -2.117 1.00 0.00 ATOM 683 CG GLN 83 8.417 15.625 -1.435 1.00 0.00 ATOM 684 CD GLN 83 8.722 17.120 -1.342 1.00 0.00 ATOM 685 OE1 GLN 83 9.625 17.550 -0.615 1.00 0.00 ATOM 686 NE2 GLN 83 7.977 17.914 -2.092 1.00 0.00 ATOM 687 O GLN 83 7.350 12.314 -1.034 1.00 0.00 ATOM 688 C GLN 83 7.427 12.643 -2.195 1.00 0.00 ATOM 689 N ILE 84 6.439 12.433 -3.062 1.00 0.00 ATOM 690 CA ILE 84 5.205 11.813 -2.626 1.00 0.00 ATOM 691 CB ILE 84 4.211 11.696 -3.798 1.00 0.00 ATOM 692 CG1 ILE 84 3.757 13.055 -4.291 1.00 0.00 ATOM 693 CG2 ILE 84 3.032 10.815 -3.417 1.00 0.00 ATOM 694 CD1 ILE 84 3.005 13.110 -5.584 1.00 0.00 ATOM 695 O ILE 84 4.937 10.049 -1.006 1.00 0.00 ATOM 696 C ILE 84 5.481 10.458 -2.011 1.00 0.00 ATOM 697 N GLY 85 6.366 9.708 -2.677 1.00 0.00 ATOM 698 CA GLY 85 6.661 8.338 -2.160 1.00 0.00 ATOM 699 O GLY 85 7.066 7.711 0.133 1.00 0.00 ATOM 700 C GLY 85 7.382 8.410 -0.842 1.00 0.00 ATOM 701 N LYS 86 8.395 9.266 -0.695 1.00 0.00 ATOM 702 CA LYS 86 9.101 9.368 0.586 1.00 0.00 ATOM 703 CB LYS 86 9.749 10.914 0.563 1.00 0.00 ATOM 704 CG LYS 86 11.001 11.201 1.394 1.00 0.00 ATOM 705 CD LYS 86 11.129 12.671 1.583 1.00 0.00 ATOM 706 CE LYS 86 12.453 12.989 2.301 1.00 0.00 ATOM 707 NZ LYS 86 12.583 14.427 2.649 1.00 0.00 ATOM 708 O LYS 86 8.317 9.252 2.880 1.00 0.00 ATOM 709 C LYS 86 8.216 9.743 1.735 1.00 0.00 ATOM 710 N GLN 87 7.289 10.691 1.464 1.00 0.00 ATOM 711 CA GLN 87 6.380 11.157 2.533 1.00 0.00 ATOM 712 CB GLN 87 5.499 12.301 2.027 1.00 0.00 ATOM 713 CG GLN 87 6.251 13.595 1.764 1.00 0.00 ATOM 714 CD GLN 87 5.358 14.684 1.201 1.00 0.00 ATOM 715 OE1 GLN 87 4.167 14.470 0.978 1.00 0.00 ATOM 716 NE2 GLN 87 5.935 15.857 0.969 1.00 0.00 ATOM 717 O GLN 87 5.253 9.863 4.169 1.00 0.00 ATOM 718 C GLN 87 5.492 10.014 2.978 1.00 0.00 ATOM 719 N LEU 88 5.013 9.214 2.012 1.00 0.00 ATOM 720 CA LEU 88 4.112 8.095 2.331 1.00 0.00 ATOM 721 CB LEU 88 3.692 7.365 1.055 1.00 0.00 ATOM 722 CG LEU 88 2.717 8.108 0.139 1.00 0.00 ATOM 723 CD1 LEU 88 2.484 7.328 -1.145 1.00 0.00 ATOM 724 CD2 LEU 88 1.374 8.302 0.828 1.00 0.00 ATOM 725 O LEU 88 4.216 6.666 4.294 1.00 0.00 ATOM 726 C LEU 88 4.784 7.069 3.260 1.00 0.00 ATOM 727 N TYR 89 5.994 6.675 2.899 1.00 0.00 ATOM 728 CA TYR 89 6.749 5.728 3.698 1.00 0.00 ATOM 729 CB TYR 89 8.108 5.450 3.059 1.00 0.00 ATOM 730 CG TYR 89 8.041 4.562 1.837 1.00 0.00 ATOM 731 CD1 TYR 89 8.047 5.108 0.559 1.00 0.00 ATOM 732 CD2 TYR 89 7.972 3.181 1.964 1.00 0.00 ATOM 733 CE1 TYR 89 7.986 4.305 -0.563 1.00 0.00 ATOM 734 CE2 TYR 89 7.910 2.362 0.853 1.00 0.00 ATOM 735 CZ TYR 89 7.917 2.936 -0.418 1.00 0.00 ATOM 736 OH TYR 89 7.854 2.133 -1.534 1.00 0.00 ATOM 737 O TYR 89 6.666 5.686 6.095 1.00 0.00 ATOM 738 C TYR 89 6.946 6.335 5.086 1.00 0.00 ATOM 739 N ASP 90 7.396 7.574 5.152 1.00 0.00 ATOM 740 CA ASP 90 7.615 8.199 6.454 1.00 0.00 ATOM 741 CB ASP 90 7.972 9.677 6.286 1.00 0.00 ATOM 742 CG ASP 90 9.360 9.881 5.714 1.00 0.00 ATOM 743 OD1 ASP 90 9.820 11.041 5.671 1.00 0.00 ATOM 744 OD2 ASP 90 9.988 8.880 5.310 1.00 0.00 ATOM 745 O ASP 90 6.523 7.850 8.509 1.00 0.00 ATOM 746 C ASP 90 6.413 8.122 7.319 1.00 0.00 ATOM 747 N VAL 91 5.246 8.368 6.742 1.00 0.00 ATOM 748 CA VAL 91 3.998 8.268 7.495 1.00 0.00 ATOM 749 CB VAL 91 2.783 8.628 6.621 1.00 0.00 ATOM 750 CG1 VAL 91 1.488 8.316 7.355 1.00 0.00 ATOM 751 CG2 VAL 91 2.793 10.108 6.275 1.00 0.00 ATOM 752 O VAL 91 3.442 6.622 9.154 1.00 0.00 ATOM 753 C VAL 91 3.817 6.839 8.004 1.00 0.00 ATOM 754 N PHE 92 4.097 5.869 7.142 1.00 0.00 ATOM 755 CA PHE 92 3.980 4.463 7.501 1.00 0.00 ATOM 756 CB PHE 92 4.411 3.576 6.328 1.00 0.00 ATOM 757 CG PHE 92 4.369 2.093 6.615 1.00 0.00 ATOM 758 CD1 PHE 92 5.387 1.449 7.292 1.00 0.00 ATOM 759 CD2 PHE 92 3.311 1.324 6.171 1.00 0.00 ATOM 760 CE1 PHE 92 5.352 0.086 7.574 1.00 0.00 ATOM 761 CE2 PHE 92 3.250 -0.040 6.448 1.00 0.00 ATOM 762 CZ PHE 92 4.280 -0.659 7.143 1.00 0.00 ATOM 763 O PHE 92 4.423 3.539 9.686 1.00 0.00 ATOM 764 C PHE 92 4.877 4.118 8.702 1.00 0.00 ATOM 765 N ILE 93 6.150 4.485 8.607 1.00 0.00 ATOM 766 CA ILE 93 7.121 4.209 9.663 1.00 0.00 ATOM 767 CB ILE 93 8.537 4.683 9.225 1.00 0.00 ATOM 768 CG1 ILE 93 9.021 3.816 8.059 1.00 0.00 ATOM 769 CG2 ILE 93 9.528 4.600 10.388 1.00 0.00 ATOM 770 CD1 ILE 93 10.387 4.211 7.509 1.00 0.00 ATOM 771 O ILE 93 6.770 4.235 12.040 1.00 0.00 ATOM 772 C ILE 93 6.729 4.867 10.985 1.00 0.00 ATOM 773 N GLU 94 6.332 6.133 10.924 1.00 0.00 ATOM 774 CA GLU 94 5.937 6.868 12.116 1.00 0.00 ATOM 775 CB GLU 94 5.696 8.339 11.761 1.00 0.00 ATOM 776 CG GLU 94 6.092 9.323 12.851 1.00 0.00 ATOM 777 CD GLU 94 7.575 9.273 13.172 1.00 0.00 ATOM 778 OE1 GLU 94 7.928 8.792 14.270 1.00 0.00 ATOM 779 OE2 GLU 94 8.388 9.714 12.328 1.00 0.00 ATOM 780 O GLU 94 4.573 6.189 13.979 1.00 0.00 ATOM 781 C GLU 94 4.677 6.280 12.754 1.00 0.00 ATOM 782 N THR 95 3.721 5.875 11.923 1.00 0.00 ATOM 783 CA THR 95 2.473 5.321 12.428 1.00 0.00 ATOM 784 CB THR 95 1.429 5.189 11.295 1.00 0.00 ATOM 785 CG2 THR 95 0.103 4.651 11.837 1.00 0.00 ATOM 786 OG1 THR 95 1.195 6.477 10.714 1.00 0.00 ATOM 787 O THR 95 2.138 3.681 14.156 1.00 0.00 ATOM 788 C THR 95 2.692 3.963 13.089 1.00 0.00 ATOM 789 N VAL 96 3.500 3.118 12.468 1.00 0.00 ATOM 790 CA VAL 96 3.777 1.802 13.033 1.00 0.00 ATOM 791 CB VAL 96 4.572 0.921 12.045 1.00 0.00 ATOM 792 CG1 VAL 96 5.105 -0.328 12.756 1.00 0.00 ATOM 793 CG2 VAL 96 3.662 0.516 10.885 1.00 0.00 ATOM 794 O VAL 96 4.300 1.305 15.325 1.00 0.00 ATOM 795 C VAL 96 4.573 1.967 14.321 1.00 0.00 ATOM 796 N LYS 97 5.562 2.854 14.293 1.00 0.00 ATOM 797 CA LYS 97 6.371 3.098 15.479 1.00 0.00 ATOM 798 CB LYS 97 7.416 4.178 15.200 1.00 0.00 ATOM 799 CG LYS 97 8.304 4.499 16.399 1.00 0.00 ATOM 800 CD LYS 97 9.343 5.551 16.031 1.00 0.00 ATOM 801 CE LYS 97 10.258 5.871 17.198 1.00 0.00 ATOM 802 NZ LYS 97 11.356 6.789 16.778 1.00 0.00 ATOM 803 O LYS 97 5.649 3.061 17.763 1.00 0.00 ATOM 804 C LYS 97 5.484 3.538 16.639 1.00 0.00 ATOM 805 N GLN 98 4.545 4.435 16.373 1.00 0.00 ATOM 806 CA GLN 98 3.653 4.937 17.400 1.00 0.00 ATOM 807 CB GLN 98 2.701 5.962 16.783 1.00 0.00 ATOM 808 CG GLN 98 1.625 6.472 17.728 1.00 0.00 ATOM 809 CD GLN 98 1.039 7.764 17.225 1.00 0.00 ATOM 810 OE1 GLN 98 1.258 8.819 17.812 1.00 0.00 ATOM 811 NE2 GLN 98 0.358 7.698 16.074 1.00 0.00 ATOM 812 O GLN 98 2.848 3.674 19.247 1.00 0.00 ATOM 813 C GLN 98 2.883 3.805 18.044 1.00 0.00 ATOM 814 N ARG 99 2.232 2.938 17.138 1.00 0.00 ATOM 815 CA ARG 99 1.438 1.794 17.552 1.00 0.00 ATOM 816 CB ARG 99 0.828 1.066 16.344 1.00 0.00 ATOM 817 CG ARG 99 -0.395 1.872 15.815 1.00 0.00 ATOM 818 CD ARG 99 -0.885 1.282 14.494 1.00 0.00 ATOM 819 NE ARG 99 -2.184 1.821 14.145 1.00 0.00 ATOM 820 CZ ARG 99 -2.796 1.640 12.987 1.00 0.00 ATOM 821 NH1 ARG 99 -2.218 1.084 11.963 1.00 0.00 ATOM 822 NH2 ARG 99 -4.060 2.055 12.879 1.00 0.00 ATOM 823 O ARG 99 1.990 0.379 19.400 1.00 0.00 ATOM 824 C ARG 99 2.366 0.841 18.316 1.00 0.00 ATOM 825 N GLY 100 4.416 0.770 18.199 1.00 0.00 ATOM 826 CA GLY 100 5.403 0.060 18.984 1.00 0.00 ATOM 827 O GLY 100 6.883 -1.766 18.769 1.00 0.00 ATOM 828 C GLY 100 6.263 -0.920 18.185 1.00 0.00 ATOM 829 N CYS 101 6.287 -0.834 16.861 1.00 0.00 ATOM 830 CA CYS 101 7.128 -1.728 16.088 1.00 0.00 ATOM 831 CB CYS 101 6.938 -1.483 14.591 1.00 0.00 ATOM 832 SG CYS 101 5.303 -1.928 13.962 1.00 0.00 ATOM 833 O CYS 101 8.974 -0.319 16.682 1.00 0.00 ATOM 834 C CYS 101 8.581 -1.464 16.473 1.00 0.00 ATOM 835 N THR 102 9.362 -2.531 16.597 1.00 0.00 ATOM 836 CA THR 102 10.757 -2.416 16.919 1.00 0.00 ATOM 837 CB THR 102 11.272 -3.667 17.655 1.00 0.00 ATOM 838 CG2 THR 102 10.475 -3.904 18.927 1.00 0.00 ATOM 839 OG1 THR 102 11.140 -4.813 16.803 1.00 0.00 ATOM 840 O THR 102 12.628 -1.894 15.508 1.00 0.00 ATOM 841 C THR 102 11.469 -2.249 15.571 1.00 0.00 ATOM 842 N ARG 103 10.760 -2.540 14.486 1.00 0.00 ATOM 843 CA ARG 103 11.305 -2.324 13.150 1.00 0.00 ATOM 844 CB ARG 103 12.056 -3.550 12.696 1.00 0.00 ATOM 845 CG ARG 103 13.563 -3.341 12.766 1.00 0.00 ATOM 846 CD ARG 103 14.317 -4.561 12.258 1.00 0.00 ATOM 847 NE ARG 103 14.076 -5.738 13.090 1.00 0.00 ATOM 848 CZ ARG 103 14.074 -6.989 12.637 1.00 0.00 ATOM 849 NH1 ARG 103 14.301 -7.234 11.352 1.00 0.00 ATOM 850 NH2 ARG 103 13.845 -7.997 13.468 1.00 0.00 ATOM 851 O ARG 103 9.131 -2.937 12.312 1.00 0.00 ATOM 852 C ARG 103 10.209 -2.371 12.099 1.00 0.00 ATOM 853 N VAL 104 10.519 -1.768 10.956 1.00 0.00 ATOM 854 CA VAL 104 9.618 -1.752 9.841 1.00 0.00 ATOM 855 CB VAL 104 8.989 -0.361 9.642 1.00 0.00 ATOM 856 CG1 VAL 104 10.074 0.685 9.431 1.00 0.00 ATOM 857 CG2 VAL 104 8.074 -0.356 8.428 1.00 0.00 ATOM 858 O VAL 104 11.537 -1.609 8.396 1.00 0.00 ATOM 859 C VAL 104 10.438 -2.133 8.628 1.00 0.00 ATOM 860 N LYS 105 9.927 -3.081 7.867 1.00 0.00 ATOM 861 CA LYS 105 10.622 -3.535 6.685 1.00 0.00 ATOM 862 CB LYS 105 11.229 -4.569 6.368 1.00 0.00 ATOM 863 CG LYS 105 11.534 -4.487 4.863 1.00 0.00 ATOM 864 CD LYS 105 12.263 -5.719 4.379 1.00 0.00 ATOM 865 CE LYS 105 12.751 -5.494 2.930 1.00 0.00 ATOM 866 NZ LYS 105 13.359 -6.745 2.426 1.00 0.00 ATOM 867 O LYS 105 8.495 -3.315 5.534 1.00 0.00 ATOM 868 C LYS 105 9.734 -3.429 5.441 1.00 0.00 ATOM 869 N CYS 106 10.388 -3.470 4.293 1.00 0.00 ATOM 870 CA CYS 106 9.737 -3.421 3.020 1.00 0.00 ATOM 871 CB CYS 106 9.343 -1.982 2.676 1.00 0.00 ATOM 872 SG CYS 106 8.429 -1.808 1.127 1.00 0.00 ATOM 873 O CYS 106 11.956 -4.030 2.165 1.00 0.00 ATOM 874 C CYS 106 10.723 -3.958 1.962 1.00 0.00 ATOM 875 N VAL 107 10.188 -4.342 0.826 1.00 0.00 ATOM 876 CA VAL 107 11.036 -4.865 -0.223 1.00 0.00 ATOM 877 CB VAL 107 10.457 -6.221 -0.771 1.00 0.00 ATOM 878 CG1 VAL 107 11.285 -6.729 -1.963 1.00 0.00 ATOM 879 CG2 VAL 107 10.441 -7.262 0.286 1.00 0.00 ATOM 880 O VAL 107 10.055 -3.298 -1.703 1.00 0.00 ATOM 881 C VAL 107 11.060 -3.944 -1.416 1.00 0.00 ATOM 882 N THR 108 12.184 -3.832 -2.091 1.00 0.00 ATOM 883 CA THR 108 12.257 -2.988 -3.280 1.00 0.00 ATOM 884 CB THR 108 13.184 -1.791 -2.987 1.00 0.00 ATOM 885 CG2 THR 108 13.351 -0.899 -4.210 1.00 0.00 ATOM 886 OG1 THR 108 12.587 -1.005 -1.918 1.00 0.00 ATOM 887 O THR 108 13.817 -4.347 -4.401 1.00 0.00 ATOM 888 C THR 108 12.730 -3.790 -4.488 1.00 0.00 ATOM 889 N SER 109 11.943 -3.860 -5.554 1.00 0.00 ATOM 890 CA SER 109 12.342 -4.568 -6.777 1.00 0.00 ATOM 891 CB SER 109 11.325 -5.656 -7.123 1.00 0.00 ATOM 892 OG SER 109 10.082 -5.091 -7.502 1.00 0.00 ATOM 893 O SER 109 11.952 -2.412 -7.771 1.00 0.00 ATOM 894 C SER 109 12.411 -3.542 -7.912 1.00 0.00 ATOM 895 N PRO 110 12.987 -3.899 -9.048 1.00 0.00 ATOM 896 CA PRO 110 13.210 -2.924 -10.124 1.00 0.00 ATOM 897 CB PRO 110 14.334 -3.546 -10.957 1.00 0.00 ATOM 898 CG PRO 110 14.158 -5.017 -10.782 1.00 0.00 ATOM 899 CD PRO 110 13.825 -5.229 -9.331 1.00 0.00 ATOM 900 O PRO 110 11.741 -3.349 -11.997 1.00 0.00 ATOM 901 C PRO 110 11.943 -2.713 -10.967 1.00 0.00 ATOM 902 N VAL 111 11.113 -1.818 -10.436 1.00 0.00 ATOM 903 CA VAL 111 9.803 -1.557 -11.018 1.00 0.00 ATOM 904 CB VAL 111 8.670 -2.078 -10.114 1.00 0.00 ATOM 905 CG1 VAL 111 8.773 -3.586 -9.946 1.00 0.00 ATOM 906 CG2 VAL 111 8.747 -1.434 -8.738 1.00 0.00 ATOM 907 O VAL 111 10.327 0.755 -10.596 1.00 0.00 ATOM 908 C VAL 111 9.608 -0.051 -11.210 1.00 0.00 ATOM 909 N ASN 112 8.632 0.313 -12.025 1.00 0.00 ATOM 910 CA ASN 112 8.291 1.711 -12.235 1.00 0.00 ATOM 911 CB ASN 112 7.284 1.851 -13.378 1.00 0.00 ATOM 912 CG ASN 112 7.910 1.627 -14.738 1.00 0.00 ATOM 913 ND2 ASN 112 9.165 1.192 -14.745 1.00 0.00 ATOM 914 OD1 ASN 112 7.273 1.842 -15.770 1.00 0.00 ATOM 915 O ASN 112 7.952 3.502 -10.609 1.00 0.00 ATOM 916 C ASN 112 7.667 2.326 -10.969 1.00 0.00 ATOM 917 N LYS 113 6.809 1.519 -10.326 1.00 0.00 ATOM 918 CA LYS 113 6.080 1.981 -9.138 1.00 0.00 ATOM 919 CB LYS 113 4.705 0.901 -9.339 1.00 0.00 ATOM 920 CG LYS 113 4.644 0.179 -10.701 1.00 0.00 ATOM 921 CD LYS 113 4.317 1.115 -11.820 1.00 0.00 ATOM 922 CE LYS 113 4.349 0.451 -13.186 1.00 0.00 ATOM 923 NZ LYS 113 5.759 0.319 -13.658 1.00 0.00 ATOM 924 O LYS 113 6.628 2.391 -6.809 1.00 0.00 ATOM 925 C LYS 113 6.955 1.874 -7.888 1.00 0.00 ATOM 926 N VAL 114 8.105 1.270 -8.049 1.00 0.00 ATOM 927 CA VAL 114 8.993 1.107 -6.899 1.00 0.00 ATOM 928 CB VAL 114 9.411 -0.364 -6.711 1.00 0.00 ATOM 929 CG1 VAL 114 10.379 -0.498 -5.545 1.00 0.00 ATOM 930 CG2 VAL 114 8.193 -1.231 -6.430 1.00 0.00 ATOM 931 O VAL 114 10.917 1.845 -8.119 1.00 0.00 ATOM 932 C VAL 114 10.247 1.929 -7.088 1.00 0.00 ATOM 933 N SER 115 10.629 2.774 -6.135 1.00 0.00 ATOM 934 CA SER 115 11.841 3.536 -6.430 1.00 0.00 ATOM 935 CB SER 115 11.597 5.031 -6.221 1.00 0.00 ATOM 936 OG SER 115 12.791 5.774 -6.407 1.00 0.00 ATOM 937 O SER 115 12.771 2.964 -4.299 1.00 0.00 ATOM 938 C SER 115 12.952 3.073 -5.498 1.00 0.00 ATOM 939 N ILE 116 14.089 2.749 -6.116 1.00 0.00 ATOM 940 CA ILE 116 15.272 2.341 -5.364 1.00 0.00 ATOM 941 CB ILE 116 16.354 1.862 -6.344 1.00 0.00 ATOM 942 CG1 ILE 116 15.881 0.589 -7.042 1.00 0.00 ATOM 943 CG2 ILE 116 17.669 1.681 -5.630 1.00 0.00 ATOM 944 CD1 ILE 116 16.744 0.134 -8.205 1.00 0.00 ATOM 945 O ILE 116 16.048 3.222 -3.298 1.00 0.00 ATOM 946 C ILE 116 15.810 3.462 -4.478 1.00 0.00 ATOM 947 N ALA 117 15.952 4.676 -4.989 1.00 0.00 ATOM 948 CA ALA 117 16.543 5.749 -4.194 1.00 0.00 ATOM 949 CB ALA 117 16.797 6.924 -5.145 1.00 0.00 ATOM 950 O ALA 117 16.228 6.806 -2.070 1.00 0.00 ATOM 951 C ALA 117 15.701 6.271 -3.043 1.00 0.00 ATOM 952 N TYR 118 14.379 6.114 -3.175 1.00 0.00 ATOM 953 CA TYR 118 13.484 6.719 -2.190 1.00 0.00 ATOM 954 CB TYR 118 12.028 6.544 -2.633 1.00 0.00 ATOM 955 CG TYR 118 11.620 7.580 -3.668 1.00 0.00 ATOM 956 CD1 TYR 118 11.374 7.264 -4.985 1.00 0.00 ATOM 957 CD2 TYR 118 11.474 8.895 -3.224 1.00 0.00 ATOM 958 CE1 TYR 118 10.938 8.254 -5.880 1.00 0.00 ATOM 959 CE2 TYR 118 10.993 9.863 -4.095 1.00 0.00 ATOM 960 CZ TYR 118 10.747 9.526 -5.395 1.00 0.00 ATOM 961 OH TYR 118 10.250 10.526 -6.225 1.00 0.00 ATOM 962 O TYR 118 13.638 6.894 0.209 1.00 0.00 ATOM 963 C TYR 118 13.685 6.196 -0.786 1.00 0.00 ATOM 964 N HIS 119 13.787 4.837 -0.646 1.00 0.00 ATOM 965 CA HIS 119 13.989 4.317 0.700 1.00 0.00 ATOM 966 CB HIS 119 13.938 2.771 0.724 1.00 0.00 ATOM 967 CG HIS 119 12.549 2.247 0.527 1.00 0.00 ATOM 968 CD2 HIS 119 11.333 2.826 0.750 1.00 0.00 ATOM 969 ND1 HIS 119 12.294 0.981 0.023 1.00 0.00 ATOM 970 CE1 HIS 119 10.973 0.803 -0.032 1.00 0.00 ATOM 971 NE2 HIS 119 10.375 1.894 0.445 1.00 0.00 ATOM 972 O HIS 119 15.231 5.258 2.491 1.00 0.00 ATOM 973 C HIS 119 15.256 4.832 1.339 1.00 0.00 ATOM 974 N THR 120 16.360 4.824 0.605 1.00 0.00 ATOM 975 CA THR 120 17.591 5.309 1.169 1.00 0.00 ATOM 976 CB THR 120 18.710 4.987 0.204 1.00 0.00 ATOM 977 CG2 THR 120 19.972 5.670 0.654 1.00 0.00 ATOM 978 OG1 THR 120 18.893 3.605 0.277 1.00 0.00 ATOM 979 O THR 120 18.071 7.368 2.311 1.00 0.00 ATOM 980 C THR 120 17.563 6.816 1.354 1.00 0.00 ATOM 981 N LYS 121 16.911 7.509 0.481 1.00 0.00 ATOM 982 CA LYS 121 16.862 8.953 0.709 1.00 0.00 ATOM 983 CB LYS 121 16.461 9.637 -0.586 1.00 0.00 ATOM 984 CG LYS 121 17.679 9.741 -1.531 1.00 0.00 ATOM 985 CD LYS 121 17.363 10.358 -2.895 1.00 0.00 ATOM 986 CE LYS 121 16.884 11.797 -2.802 1.00 0.00 ATOM 987 NZ LYS 121 16.966 12.510 -4.085 1.00 0.00 ATOM 988 O LYS 121 16.188 10.496 2.503 1.00 0.00 ATOM 989 C LYS 121 16.048 9.410 1.939 1.00 0.00 ATOM 990 N LEU 122 15.403 8.263 3.304 1.00 0.00 ATOM 991 CA LEU 122 14.308 8.346 4.273 1.00 0.00 ATOM 992 CB LEU 122 13.020 7.727 3.718 1.00 0.00 ATOM 993 CG LEU 122 11.975 8.615 3.010 1.00 0.00 ATOM 994 CD1 LEU 122 12.630 9.744 2.257 1.00 0.00 ATOM 995 CD2 LEU 122 11.146 7.782 2.062 1.00 0.00 ATOM 996 O LEU 122 13.941 7.575 6.532 1.00 0.00 ATOM 997 C LEU 122 14.750 7.722 5.609 1.00 0.00 ATOM 998 N GLY 123 16.020 7.325 5.694 1.00 0.00 ATOM 999 CA GLY 123 16.537 6.790 6.937 1.00 0.00 ATOM 1000 O GLY 123 16.005 4.986 8.420 1.00 0.00 ATOM 1001 C GLY 123 15.978 5.413 7.270 1.00 0.00 ATOM 1002 N PHE 124 15.467 4.711 6.265 1.00 0.00 ATOM 1003 CA PHE 124 14.915 3.401 6.509 1.00 0.00 ATOM 1004 CB PHE 124 14.325 2.919 5.208 1.00 0.00 ATOM 1005 CG PHE 124 12.978 3.566 5.073 1.00 0.00 ATOM 1006 CD1 PHE 124 11.890 3.051 5.761 1.00 0.00 ATOM 1007 CD2 PHE 124 12.832 4.682 4.260 1.00 0.00 ATOM 1008 CE1 PHE 124 10.646 3.662 5.629 1.00 0.00 ATOM 1009 CE2 PHE 124 11.590 5.286 4.135 1.00 0.00 ATOM 1010 CZ PHE 124 10.491 4.780 4.819 1.00 0.00 ATOM 1011 O PHE 124 17.097 2.583 5.885 1.00 0.00 ATOM 1012 C PHE 124 16.014 2.330 6.447 1.00 0.00 ATOM 1013 N ASP 125 15.736 1.170 7.053 1.00 0.00 ATOM 1014 CA ASP 125 16.659 0.040 7.106 1.00 0.00 ATOM 1015 CB ASP 125 17.151 -0.184 8.537 1.00 0.00 ATOM 1016 CG ASP 125 17.982 0.972 9.054 1.00 0.00 ATOM 1017 OD1 ASP 125 19.071 1.219 8.498 1.00 0.00 ATOM 1018 OD2 ASP 125 17.543 1.635 10.019 1.00 0.00 ATOM 1019 O ASP 125 14.771 -1.402 6.772 1.00 0.00 ATOM 1020 C ASP 125 15.979 -1.230 6.631 1.00 0.00 ATOM 1021 N ILE 126 16.770 -2.141 6.107 1.00 0.00 ATOM 1022 CA ILE 126 16.232 -3.403 5.650 1.00 0.00 ATOM 1023 CB ILE 126 17.286 -4.292 5.068 1.00 0.00 ATOM 1024 CG1 ILE 126 17.808 -3.614 3.815 1.00 0.00 ATOM 1025 CG2 ILE 126 16.667 -5.637 4.754 1.00 0.00 ATOM 1026 CD1 ILE 126 19.055 -4.347 3.203 1.00 0.00 ATOM 1027 O ILE 126 16.353 -4.181 7.898 1.00 0.00 ATOM 1028 C ILE 126 15.701 -4.141 6.870 1.00 0.00 ATOM 1029 N GLU 127 14.516 -4.722 6.772 1.00 0.00 ATOM 1030 CA GLU 127 13.952 -5.351 7.945 1.00 0.00 ATOM 1031 CB GLU 127 13.375 -4.102 8.800 1.00 0.00 ATOM 1032 CG GLU 127 14.470 -3.178 9.323 1.00 0.00 ATOM 1033 CD GLU 127 13.969 -1.930 10.014 1.00 0.00 ATOM 1034 OE1 GLU 127 12.741 -1.686 10.002 1.00 0.00 ATOM 1035 OE2 GLU 127 14.816 -1.192 10.566 1.00 0.00 ATOM 1036 O GLU 127 12.947 -7.356 8.685 1.00 0.00 ATOM 1037 C GLU 127 13.298 -6.691 7.721 1.00 0.00 ATOM 1038 N LYS 128 13.097 -7.087 6.466 1.00 0.00 ATOM 1039 CA LYS 128 12.495 -8.374 6.237 1.00 0.00 ATOM 1040 CB LYS 128 11.237 -8.529 6.228 1.00 0.00 ATOM 1041 CG LYS 128 11.180 -9.515 7.359 1.00 0.00 ATOM 1042 CD LYS 128 11.947 -10.758 6.975 1.00 0.00 ATOM 1043 CE LYS 128 11.953 -11.780 8.087 1.00 0.00 ATOM 1044 NZ LYS 128 12.540 -13.054 7.584 1.00 0.00 ATOM 1045 O LYS 128 12.679 -7.811 3.976 1.00 0.00 ATOM 1046 C LYS 128 12.141 -8.521 4.796 1.00 0.00 ATOM 1047 N GLY 129 11.210 -9.439 4.527 1.00 0.00 ATOM 1048 CA GLY 129 10.774 -9.697 3.164 1.00 0.00 ATOM 1049 O GLY 129 9.419 -7.732 3.370 1.00 0.00 ATOM 1050 C GLY 129 9.833 -8.630 2.633 1.00 0.00 ATOM 1051 N THR 130 9.487 -8.737 1.356 1.00 0.00 ATOM 1052 CA THR 130 8.591 -7.789 0.701 1.00 0.00 ATOM 1053 CB THR 130 9.333 -6.979 -0.396 1.00 0.00 ATOM 1054 CG2 THR 130 9.913 -7.903 -1.462 1.00 0.00 ATOM 1055 OG1 THR 130 8.426 -6.059 -1.013 1.00 0.00 ATOM 1056 O THR 130 7.543 -9.715 -0.270 1.00 0.00 ATOM 1057 C THR 130 7.422 -8.542 0.070 1.00 0.00 ATOM 1058 N LYS 131 6.284 -7.875 -0.075 1.00 0.00 ATOM 1059 CA LYS 131 5.120 -8.517 -0.675 1.00 0.00 ATOM 1060 CB LYS 131 3.993 -7.243 -0.721 1.00 0.00 ATOM 1061 CG LYS 131 2.522 -7.457 -0.401 1.00 0.00 ATOM 1062 CD LYS 131 1.728 -6.255 -0.808 1.00 0.00 ATOM 1063 CE LYS 131 0.277 -6.372 -0.425 1.00 0.00 ATOM 1064 NZ LYS 131 -0.413 -5.169 -1.015 1.00 0.00 ATOM 1065 O LYS 131 4.610 -9.707 -2.688 1.00 0.00 ATOM 1066 C LYS 131 5.330 -8.867 -2.145 1.00 0.00 ATOM 1067 N THR 132 6.312 -8.236 -2.792 1.00 0.00 ATOM 1068 CA THR 132 6.584 -8.533 -4.197 1.00 0.00 ATOM 1069 CB THR 132 6.833 -7.255 -5.019 1.00 0.00 ATOM 1070 CG2 THR 132 5.536 -6.477 -5.187 1.00 0.00 ATOM 1071 OG1 THR 132 7.809 -6.439 -4.358 1.00 0.00 ATOM 1072 O THR 132 8.238 -9.647 -5.532 1.00 0.00 ATOM 1073 C THR 132 7.763 -9.483 -4.410 1.00 0.00 ATOM 1074 N VAL 133 8.244 -10.104 -3.338 1.00 0.00 ATOM 1075 CA VAL 133 9.334 -11.064 -3.446 1.00 0.00 ATOM 1076 CB VAL 133 9.742 -11.644 -2.057 1.00 0.00 ATOM 1077 CG1 VAL 133 10.909 -12.615 -2.211 1.00 0.00 ATOM 1078 CG2 VAL 133 10.135 -10.528 -1.093 1.00 0.00 ATOM 1079 O VAL 133 9.515 -12.582 -5.322 1.00 0.00 ATOM 1080 C VAL 133 8.857 -12.225 -4.336 1.00 0.00 ATOM 1081 N ASN 134 7.717 -12.810 -3.984 1.00 0.00 ATOM 1082 CA ASN 134 7.154 -13.935 -4.727 1.00 0.00 ATOM 1083 CB ASN 134 6.665 -15.021 -3.766 1.00 0.00 ATOM 1084 CG ASN 134 7.804 -15.746 -3.079 1.00 0.00 ATOM 1085 ND2 ASN 134 7.962 -15.503 -1.784 1.00 0.00 ATOM 1086 OD1 ASN 134 8.533 -16.517 -3.707 1.00 0.00 ATOM 1087 O ASN 134 5.104 -14.305 -5.930 1.00 0.00 ATOM 1088 C ASN 134 5.973 -13.496 -5.584 1.00 0.00 ATOM 1089 N GLY 135 5.979 -12.198 -5.937 1.00 0.00 ATOM 1090 CA GLY 135 4.865 -11.684 -6.726 1.00 0.00 ATOM 1091 O GLY 135 5.625 -9.534 -6.058 1.00 0.00 ATOM 1092 C GLY 135 4.766 -10.159 -6.654 1.00 0.00 ATOM 1093 N ILE 136 3.897 -9.580 -7.484 1.00 0.00 ATOM 1094 CA ILE 136 3.794 -8.105 -7.403 1.00 0.00 ATOM 1095 CB ILE 136 4.086 -7.434 -8.781 1.00 0.00 ATOM 1096 CG1 ILE 136 5.556 -7.636 -9.156 1.00 0.00 ATOM 1097 CG2 ILE 136 3.791 -5.973 -8.711 1.00 0.00 ATOM 1098 CD1 ILE 136 6.437 -7.490 -8.012 1.00 0.00 ATOM 1099 O ILE 136 1.410 -8.281 -7.506 1.00 0.00 ATOM 1100 C ILE 136 2.380 -7.839 -6.875 1.00 0.00 ATOM 1101 N SER 137 2.282 -7.116 -5.780 1.00 0.00 ATOM 1102 CA SER 137 0.996 -6.774 -5.195 1.00 0.00 ATOM 1103 CB SER 137 0.723 -5.263 -5.649 1.00 0.00 ATOM 1104 OG SER 137 -0.532 -4.861 -5.244 1.00 0.00 ATOM 1105 O SER 137 -1.056 -7.860 -4.611 1.00 0.00 ATOM 1106 C SER 137 0.169 -7.945 -4.672 1.00 0.00 ATOM 1107 N VAL 138 0.841 -9.037 -4.314 1.00 0.00 ATOM 1108 CA VAL 138 0.184 -10.225 -3.754 1.00 0.00 ATOM 1109 CB VAL 138 0.382 -11.458 -4.656 1.00 0.00 ATOM 1110 CG1 VAL 138 -0.401 -12.644 -4.117 1.00 0.00 ATOM 1111 CG2 VAL 138 -0.102 -11.166 -6.071 1.00 0.00 ATOM 1112 O VAL 138 1.703 -11.316 -2.233 1.00 0.00 ATOM 1113 C VAL 138 0.837 -10.448 -2.394 1.00 0.00 ATOM 1114 N PHE 139 0.412 -9.662 -1.401 1.00 0.00 ATOM 1115 CA PHE 139 0.983 -9.777 -0.046 1.00 0.00 ATOM 1116 CB PHE 139 0.420 -8.598 0.815 1.00 0.00 ATOM 1117 CG PHE 139 0.992 -8.547 2.194 1.00 0.00 ATOM 1118 CD1 PHE 139 2.231 -7.960 2.406 1.00 0.00 ATOM 1119 CD2 PHE 139 0.286 -9.116 3.244 1.00 0.00 ATOM 1120 CE1 PHE 139 2.785 -7.936 3.703 1.00 0.00 ATOM 1121 CE2 PHE 139 0.815 -9.102 4.550 1.00 0.00 ATOM 1122 CZ PHE 139 2.063 -8.507 4.751 1.00 0.00 ATOM 1123 O PHE 139 1.538 -11.771 1.198 1.00 0.00 ATOM 1124 C PHE 139 0.680 -11.110 0.590 1.00 0.00 ATOM 1125 N ALA 140 -0.602 -11.491 0.510 1.00 0.00 ATOM 1126 CA ALA 140 -1.043 -12.778 1.041 1.00 0.00 ATOM 1127 CB ALA 140 -2.637 -12.717 1.154 1.00 0.00 ATOM 1128 O ALA 140 -0.334 -15.055 0.806 1.00 0.00 ATOM 1129 C ALA 140 -0.486 -13.964 0.258 1.00 0.00 ATOM 1130 N ASN 141 -0.173 -13.771 -1.012 1.00 0.00 ATOM 1131 CA ASN 141 0.341 -14.852 -1.839 1.00 0.00 ATOM 1132 CB ASN 141 0.303 -14.511 -3.332 1.00 0.00 ATOM 1133 CG ASN 141 -0.953 -15.021 -4.021 1.00 0.00 ATOM 1134 ND2 ASN 141 -2.047 -14.247 -3.971 1.00 0.00 ATOM 1135 OD1 ASN 141 -0.969 -16.120 -4.563 1.00 0.00 ATOM 1136 O ASN 141 2.139 -16.351 -1.457 1.00 0.00 ATOM 1137 C ASN 141 1.768 -15.182 -1.402 1.00 0.00 ATOM 1138 N TYR 142 2.530 -14.205 -0.967 1.00 0.00 ATOM 1139 CA TYR 142 3.891 -14.415 -0.517 1.00 0.00 ATOM 1140 CB TYR 142 4.768 -13.258 -1.001 1.00 0.00 ATOM 1141 CG TYR 142 6.124 -13.263 -0.296 1.00 0.00 ATOM 1142 CD1 TYR 142 7.078 -14.225 -0.585 1.00 0.00 ATOM 1143 CD2 TYR 142 6.413 -12.278 0.642 1.00 0.00 ATOM 1144 CE1 TYR 142 8.289 -14.264 0.078 1.00 0.00 ATOM 1145 CE2 TYR 142 7.623 -12.334 1.300 1.00 0.00 ATOM 1146 CZ TYR 142 8.566 -13.284 1.003 1.00 0.00 ATOM 1147 OH TYR 142 9.775 -13.314 1.676 1.00 0.00 ATOM 1148 O TYR 142 4.463 -15.517 1.542 1.00 0.00 ATOM 1149 C TYR 142 3.927 -14.546 1.004 1.00 0.00 ATOM 1150 N ASP 143 3.321 -13.592 1.720 1.00 0.00 ATOM 1151 CA ASP 143 3.405 -13.639 3.189 1.00 0.00 ATOM 1152 CB ASP 143 4.487 -12.625 3.605 1.00 0.00 ATOM 1153 CG ASP 143 4.733 -12.666 5.102 1.00 0.00 ATOM 1154 OD1 ASP 143 4.191 -13.549 5.800 1.00 0.00 ATOM 1155 OD2 ASP 143 5.535 -11.813 5.554 1.00 0.00 ATOM 1156 O ASP 143 1.682 -12.121 3.784 1.00 0.00 ATOM 1157 C ASP 143 2.091 -13.285 3.841 1.00 0.00 ATOM 1158 N GLY 144 1.425 -14.279 4.394 1.00 0.00 ATOM 1159 CA GLY 144 0.099 -14.025 5.021 1.00 0.00 ATOM 1160 O GLY 144 -0.738 -14.798 2.888 1.00 0.00 ATOM 1161 C GLY 144 -0.981 -14.386 4.013 1.00 0.00 ATOM 1162 N PRO 145 -2.223 -14.234 4.460 1.00 0.00 ATOM 1163 CA PRO 145 -3.393 -14.557 3.675 1.00 0.00 ATOM 1164 CB PRO 145 -4.496 -14.562 4.689 1.00 0.00 ATOM 1165 CG PRO 145 -4.064 -13.476 5.653 1.00 0.00 ATOM 1166 CD PRO 145 -2.592 -13.840 5.816 1.00 0.00 ATOM 1167 O PRO 145 -4.387 -14.081 1.629 1.00 0.00 ATOM 1168 C PRO 145 -3.660 -13.644 2.512 1.00 0.00 ATOM 1169 N GLY 146 -3.115 -12.433 2.478 1.00 0.00 ATOM 1170 CA GLY 146 -3.397 -11.539 1.365 1.00 0.00 ATOM 1171 O GLY 146 -5.344 -10.909 2.596 1.00 0.00 ATOM 1172 C GLY 146 -4.795 -10.954 1.488 1.00 0.00 ATOM 1173 N GLN 147 -5.409 -10.503 0.388 1.00 0.00 ATOM 1174 CA GLN 147 -6.736 -9.895 0.449 1.00 0.00 ATOM 1175 CB GLN 147 -6.993 -8.958 -0.767 1.00 0.00 ATOM 1176 CG GLN 147 -6.704 -9.568 -2.136 1.00 0.00 ATOM 1177 CD GLN 147 -7.652 -9.231 -3.292 1.00 0.00 ATOM 1178 OE1 GLN 147 -7.270 -9.278 -4.479 1.00 0.00 ATOM 1179 NE2 GLN 147 -8.925 -8.931 -2.994 1.00 0.00 ATOM 1180 O GLN 147 -7.712 -12.048 -0.037 1.00 0.00 ATOM 1181 C GLN 147 -7.844 -10.935 0.500 1.00 0.00 ATOM 1182 N ASP 148 -8.957 -10.484 1.100 1.00 0.00 ATOM 1183 CA ASP 148 -10.196 -11.242 1.260 1.00 0.00 ATOM 1184 CB ASP 148 -11.235 -10.370 1.979 1.00 0.00 ATOM 1185 CG ASP 148 -11.828 -9.193 1.152 1.00 0.00 ATOM 1186 OD1 ASP 148 -11.070 -8.340 0.641 1.00 0.00 ATOM 1187 OD2 ASP 148 -13.066 -9.165 0.989 1.00 0.00 ATOM 1188 O ASP 148 -10.858 -10.770 -1.028 1.00 0.00 ATOM 1189 C ASP 148 -10.712 -11.619 -0.132 1.00 0.00 ATOM 1190 N ARG 149 -10.939 -12.852 -0.464 1.00 0.00 ATOM 1191 CA ARG 149 -11.442 -13.201 -1.786 1.00 0.00 ATOM 1192 CB ARG 149 -13.117 -13.050 -1.566 1.00 0.00 ATOM 1193 CG ARG 149 -13.616 -12.917 -0.144 1.00 0.00 ATOM 1194 CD ARG 149 -13.933 -14.234 0.516 1.00 0.00 ATOM 1195 NE ARG 149 -15.158 -14.861 0.001 1.00 0.00 ATOM 1196 CZ ARG 149 -16.310 -14.812 0.669 1.00 0.00 ATOM 1197 NH1 ARG 149 -16.389 -14.174 1.842 1.00 0.00 ATOM 1198 NH2 ARG 149 -17.394 -15.393 0.169 1.00 0.00 ATOM 1199 O ARG 149 -10.890 -12.209 -3.924 1.00 0.00 ATOM 1200 C ARG 149 -10.467 -12.749 -2.883 1.00 0.00 ATOM 1201 N VAL 150 -9.166 -12.977 -2.607 1.00 0.00 ATOM 1202 CA VAL 150 -8.115 -12.617 -3.579 1.00 0.00 ATOM 1203 CB VAL 150 -6.760 -13.434 -2.996 1.00 0.00 ATOM 1204 CG1 VAL 150 -5.405 -12.907 -3.429 1.00 0.00 ATOM 1205 CG2 VAL 150 -6.829 -13.711 -1.505 1.00 0.00 ATOM 1206 O VAL 150 -8.217 -13.086 -5.956 1.00 0.00 ATOM 1207 C VAL 150 -8.262 -13.543 -4.802 1.00 0.00 ATOM 1208 N LEU 151 -8.475 -14.833 -4.587 1.00 0.00 ATOM 1209 CA LEU 151 -8.663 -15.760 -5.695 1.00 0.00 ATOM 1210 CB LEU 151 -8.771 -17.222 -5.209 1.00 0.00 ATOM 1211 CG LEU 151 -9.037 -18.270 -6.305 1.00 0.00 ATOM 1212 CD1 LEU 151 -7.920 -18.291 -7.340 1.00 0.00 ATOM 1213 CD2 LEU 151 -9.257 -19.658 -5.707 1.00 0.00 ATOM 1214 O LEU 151 -9.927 -15.123 -7.671 1.00 0.00 ATOM 1215 C LEU 151 -9.947 -15.420 -6.470 1.00 0.00 ATOM 1216 N PHE 152 -11.074 -15.421 -5.748 1.00 0.00 ATOM 1217 CA PHE 152 -12.375 -15.144 -6.346 1.00 0.00 ATOM 1218 CB PHE 152 -13.486 -15.206 -5.279 1.00 0.00 ATOM 1219 CG PHE 152 -14.886 -14.938 -5.818 1.00 0.00 ATOM 1220 CD1 PHE 152 -15.582 -15.934 -6.487 1.00 0.00 ATOM 1221 CD2 PHE 152 -15.483 -13.692 -5.686 1.00 0.00 ATOM 1222 CE1 PHE 152 -16.855 -15.703 -7.015 1.00 0.00 ATOM 1223 CE2 PHE 152 -16.761 -13.441 -6.212 1.00 0.00 ATOM 1224 CZ PHE 152 -17.446 -14.458 -6.880 1.00 0.00 ATOM 1225 O PHE 152 -12.826 -13.576 -8.116 1.00 0.00 ATOM 1226 C PHE 152 -12.371 -13.756 -6.989 1.00 0.00 ATOM 1227 N VAL 153 -11.861 -12.768 -6.259 1.00 0.00 ATOM 1228 CA VAL 153 -11.829 -11.412 -6.785 1.00 0.00 ATOM 1229 CB VAL 153 -11.562 -10.470 -5.514 1.00 0.00 ATOM 1230 CG1 VAL 153 -11.215 -9.033 -5.893 1.00 0.00 ATOM 1231 CG2 VAL 153 -12.753 -10.516 -4.557 1.00 0.00 ATOM 1232 O VAL 153 -11.190 -10.432 -8.858 1.00 0.00 ATOM 1233 C VAL 153 -10.882 -11.201 -7.958 1.00 0.00 ATOM 1234 N LYS 154 -9.729 -11.860 -7.989 1.00 0.00 ATOM 1235 CA LYS 154 -8.808 -11.731 -9.120 1.00 0.00 ATOM 1236 CB LYS 154 -7.462 -12.444 -8.760 1.00 0.00 ATOM 1237 CG LYS 154 -6.558 -11.516 -7.978 1.00 0.00 ATOM 1238 CD LYS 154 -5.564 -12.252 -7.089 1.00 0.00 ATOM 1239 CE LYS 154 -4.817 -11.210 -6.238 1.00 0.00 ATOM 1240 NZ LYS 154 -4.888 -11.578 -4.796 1.00 0.00 ATOM 1241 O LYS 154 -9.180 -11.696 -11.488 1.00 0.00 ATOM 1242 C LYS 154 -9.434 -12.243 -10.409 1.00 0.00 ATOM 1243 N ASN 155 -10.268 -13.284 -10.341 1.00 0.00 ATOM 1244 CA ASN 155 -10.938 -13.799 -11.532 1.00 0.00 ATOM 1245 CB ASN 155 -10.714 -15.296 -11.658 1.00 0.00 ATOM 1246 CG ASN 155 -9.268 -15.634 -11.944 1.00 0.00 ATOM 1247 ND2 ASN 155 -8.724 -16.593 -11.201 1.00 0.00 ATOM 1248 OD1 ASN 155 -8.640 -15.028 -12.811 1.00 0.00 ATOM 1249 O ASN 155 -13.164 -14.087 -12.418 1.00 0.00 ATOM 1250 C ASN 155 -12.431 -13.450 -11.662 1.00 0.00 ATOM 1251 N ILE 156 -12.861 -12.415 -10.955 1.00 0.00 ATOM 1252 CA ILE 156 -14.227 -11.919 -11.096 1.00 0.00 ATOM 1253 CB ILE 156 -14.500 -10.782 -10.078 1.00 0.00 ATOM 1254 CG1 ILE 156 -14.425 -11.343 -8.660 1.00 0.00 ATOM 1255 CG2 ILE 156 -15.869 -10.160 -10.326 1.00 0.00 ATOM 1256 CD1 ILE 156 -14.511 -10.301 -7.581 1.00 0.00 ATOM 1257 O ILE 156 -13.689 -10.506 -12.953 1.00 0.00 ATOM 1258 C ILE 156 -14.455 -11.400 -12.518 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:45:19 2002 Date: Thu, 5 Sep 2002 15:45:13 -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 Sep 5 15:15:48 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_387678_42092 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_5 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 5 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 5 PARENT N/A ATOM 1 N MET 1 -2.651 16.789 -0.020 1.00 0.00 ATOM 2 CA MET 1 -1.740 17.427 0.854 1.00 0.00 ATOM 3 CB MET 1 -1.775 18.920 0.922 1.00 0.00 ATOM 4 CG MET 1 -1.417 19.510 -0.420 1.00 0.00 ATOM 5 SD MET 1 0.412 19.668 -0.413 1.00 0.00 ATOM 6 CE MET 1 0.797 19.271 -2.132 1.00 0.00 ATOM 7 O MET 1 -1.078 17.384 3.128 1.00 0.00 ATOM 8 C MET 1 -1.738 16.818 2.242 1.00 0.00 ATOM 9 N ASP 2 -2.441 15.681 2.422 1.00 0.00 ATOM 10 CA ASP 2 -2.510 15.050 3.712 1.00 0.00 ATOM 11 CB ASP 2 -3.682 15.609 4.522 1.00 0.00 ATOM 12 CG ASP 2 -5.023 15.315 3.881 1.00 0.00 ATOM 13 OD1 ASP 2 -6.008 16.004 4.220 1.00 0.00 ATOM 14 OD2 ASP 2 -5.092 14.393 3.041 1.00 0.00 ATOM 15 O ASP 2 -2.985 13.158 2.376 1.00 0.00 ATOM 16 C ASP 2 -2.700 13.566 3.479 1.00 0.00 ATOM 17 N ILE 3 -2.520 12.755 4.502 1.00 0.00 ATOM 18 CA ILE 3 -2.629 11.303 4.408 1.00 0.00 ATOM 19 CB ILE 3 -1.291 10.593 4.713 1.00 0.00 ATOM 20 CG1 ILE 3 -0.215 10.978 3.691 1.00 0.00 ATOM 21 CG2 ILE 3 -1.470 9.094 4.801 1.00 0.00 ATOM 22 CD1 ILE 3 1.179 10.480 3.962 1.00 0.00 ATOM 23 O ILE 3 -3.871 11.363 6.462 1.00 0.00 ATOM 24 C ILE 3 -3.753 10.854 5.341 1.00 0.00 ATOM 25 N ARG 4 -4.597 9.960 4.828 1.00 0.00 ATOM 26 CA ARG 4 -5.774 9.463 5.514 1.00 0.00 ATOM 27 CB ARG 4 -6.952 9.855 5.555 1.00 0.00 ATOM 28 CG ARG 4 -7.966 8.815 5.995 1.00 0.00 ATOM 29 CD ARG 4 -9.338 9.444 6.143 1.00 0.00 ATOM 30 NE ARG 4 -10.147 8.814 7.183 1.00 0.00 ATOM 31 CZ ARG 4 -11.055 9.455 7.916 1.00 0.00 ATOM 32 NH1 ARG 4 -11.272 10.751 7.724 1.00 0.00 ATOM 33 NH2 ARG 4 -11.743 8.801 8.847 1.00 0.00 ATOM 34 O ARG 4 -5.251 7.397 4.390 1.00 0.00 ATOM 35 C ARG 4 -5.870 7.956 5.331 1.00 0.00 ATOM 36 N THR 5 -6.630 7.243 6.144 1.00 0.00 ATOM 37 CA THR 5 -6.930 5.844 5.860 1.00 0.00 ATOM 38 CB THR 5 -7.676 5.178 7.033 1.00 0.00 ATOM 39 CG2 THR 5 -6.824 5.208 8.292 1.00 0.00 ATOM 40 OG1 THR 5 -8.900 5.880 7.283 1.00 0.00 ATOM 41 O THR 5 -8.567 6.684 4.298 1.00 0.00 ATOM 42 C THR 5 -7.810 5.764 4.614 1.00 0.00 ATOM 43 N ILE 6 -7.723 4.638 3.921 1.00 0.00 ATOM 44 CA ILE 6 -8.505 4.422 2.736 1.00 0.00 ATOM 45 CB ILE 6 -8.091 3.125 2.014 1.00 0.00 ATOM 46 CG1 ILE 6 -8.680 3.089 0.602 1.00 0.00 ATOM 47 CG2 ILE 6 -8.591 1.908 2.779 1.00 0.00 ATOM 48 CD1 ILE 6 -8.088 2.011 -0.279 1.00 0.00 ATOM 49 O ILE 6 -10.332 3.909 4.201 1.00 0.00 ATOM 50 C ILE 6 -9.982 4.314 3.106 1.00 0.00 ATOM 51 N THR 7 -10.861 4.670 2.182 1.00 0.00 ATOM 52 CA THR 7 -12.288 4.570 2.466 1.00 0.00 ATOM 53 CB THR 7 -12.929 5.961 2.633 1.00 0.00 ATOM 54 CG2 THR 7 -12.239 6.736 3.742 1.00 0.00 ATOM 55 OG1 THR 7 -12.809 6.695 1.408 1.00 0.00 ATOM 56 O THR 7 -12.413 3.745 0.226 1.00 0.00 ATOM 57 C THR 7 -12.971 3.856 1.321 1.00 0.00 ATOM 58 N SER 8 -14.186 3.386 1.584 1.00 0.00 ATOM 59 CA SER 8 -15.000 2.683 0.605 1.00 0.00 ATOM 60 CB SER 8 -16.410 2.449 1.151 1.00 0.00 ATOM 61 OG SER 8 -16.388 1.575 2.264 1.00 0.00 ATOM 62 O SER 8 -15.141 2.834 -1.748 1.00 0.00 ATOM 63 C SER 8 -15.145 3.434 -0.689 1.00 0.00 ATOM 64 N SER 9 -15.289 4.751 -0.604 1.00 0.00 ATOM 65 CA SER 9 -15.413 5.559 -1.811 1.00 0.00 ATOM 66 CB SER 9 -15.852 6.983 -1.462 1.00 0.00 ATOM 67 OG SER 9 -14.845 7.662 -0.733 1.00 0.00 ATOM 68 O SER 9 -14.189 6.237 -3.712 1.00 0.00 ATOM 69 C SER 9 -14.137 5.697 -2.615 1.00 0.00 ATOM 70 N ASP 10 -12.991 5.209 -2.111 1.00 0.00 ATOM 71 CA ASP 10 -11.720 5.334 -2.876 1.00 0.00 ATOM 72 CB ASP 10 -10.516 5.179 -1.944 1.00 0.00 ATOM 73 CG ASP 10 -10.359 6.353 -0.998 1.00 0.00 ATOM 74 OD1 ASP 10 -9.205 6.680 -0.646 1.00 0.00 ATOM 75 OD2 ASP 10 -11.386 6.946 -0.609 1.00 0.00 ATOM 76 O ASP 10 -10.603 4.298 -4.727 1.00 0.00 ATOM 77 C ASP 10 -11.568 4.265 -3.995 1.00 0.00 ATOM 78 N TYR 11 -12.512 3.341 -4.147 1.00 0.00 ATOM 79 CA TYR 11 -12.326 2.285 -5.153 1.00 0.00 ATOM 80 CB TYR 11 -13.684 1.646 -5.484 1.00 0.00 ATOM 81 CG TYR 11 -13.607 0.615 -6.581 1.00 0.00 ATOM 82 CD1 TYR 11 -13.256 -0.700 -6.298 1.00 0.00 ATOM 83 CD2 TYR 11 -13.824 0.970 -7.906 1.00 0.00 ATOM 84 CE1 TYR 11 -13.115 -1.630 -7.305 1.00 0.00 ATOM 85 CE2 TYR 11 -13.681 0.046 -8.917 1.00 0.00 ATOM 86 CZ TYR 11 -13.326 -1.250 -8.611 1.00 0.00 ATOM 87 OH TYR 11 -13.162 -2.175 -9.620 1.00 0.00 ATOM 88 O TYR 11 -10.756 2.158 -6.926 1.00 0.00 ATOM 89 C TYR 11 -11.772 2.658 -6.529 1.00 0.00 ATOM 90 N GLU 12 -12.440 3.526 -7.262 1.00 0.00 ATOM 91 CA GLU 12 -11.975 3.937 -8.580 1.00 0.00 ATOM 92 CB GLU 12 -12.832 5.086 -9.118 1.00 0.00 ATOM 93 CG GLU 12 -12.423 5.573 -10.498 1.00 0.00 ATOM 94 CD GLU 12 -13.326 6.674 -11.018 1.00 0.00 ATOM 95 OE1 GLU 12 -14.269 7.059 -10.295 1.00 0.00 ATOM 96 OE2 GLU 12 -13.089 7.153 -12.145 1.00 0.00 ATOM 97 O GLU 12 -9.711 3.853 -9.277 1.00 0.00 ATOM 98 C GLU 12 -10.551 4.415 -8.582 1.00 0.00 ATOM 99 N MET 13 -10.285 5.464 -7.810 1.00 0.00 ATOM 100 CA MET 13 -8.959 6.058 -7.788 1.00 0.00 ATOM 101 CB MET 13 -8.931 7.269 -6.853 1.00 0.00 ATOM 102 CG MET 13 -9.724 8.462 -7.360 1.00 0.00 ATOM 103 SD MET 13 -9.094 9.102 -8.924 1.00 0.00 ATOM 104 CE MET 13 -7.516 9.770 -8.408 1.00 0.00 ATOM 105 O MET 13 -6.717 5.300 -7.868 1.00 0.00 ATOM 106 C MET 13 -7.803 5.200 -7.327 1.00 0.00 ATOM 107 N VAL 14 -8.064 4.363 -6.338 1.00 0.00 ATOM 108 CA VAL 14 -7.107 3.446 -5.762 1.00 0.00 ATOM 109 CB VAL 14 -7.644 2.807 -4.468 1.00 0.00 ATOM 110 CG1 VAL 14 -6.704 1.715 -3.982 1.00 0.00 ATOM 111 CG2 VAL 14 -7.771 3.855 -3.371 1.00 0.00 ATOM 112 O VAL 14 -5.664 2.019 -6.982 1.00 0.00 ATOM 113 C VAL 14 -6.814 2.343 -6.758 1.00 0.00 ATOM 114 N THR 15 -7.834 1.762 -7.372 1.00 0.00 ATOM 115 CA THR 15 -7.543 0.718 -8.355 1.00 0.00 ATOM 116 CB THR 15 -8.835 0.113 -8.937 1.00 0.00 ATOM 117 CG2 THR 15 -8.507 -0.935 -9.986 1.00 0.00 ATOM 118 OG1 THR 15 -9.593 -0.502 -7.886 1.00 0.00 ATOM 119 O THR 15 -5.797 0.738 -10.037 1.00 0.00 ATOM 120 C THR 15 -6.735 1.345 -9.476 1.00 0.00 ATOM 121 N SER 16 -7.072 2.582 -9.798 1.00 0.00 ATOM 122 CA SER 16 -6.356 3.258 -10.845 1.00 0.00 ATOM 123 CB SER 16 -6.981 4.625 -11.128 1.00 0.00 ATOM 124 OG SER 16 -8.290 4.488 -11.654 1.00 0.00 ATOM 125 O SER 16 -4.000 3.275 -11.315 1.00 0.00 ATOM 126 C SER 16 -4.877 3.489 -10.475 1.00 0.00 ATOM 127 N VAL 17 -4.559 3.905 -9.248 1.00 0.00 ATOM 128 CA VAL 17 -3.139 4.121 -8.973 1.00 0.00 ATOM 129 CB VAL 17 -2.933 5.015 -7.736 1.00 0.00 ATOM 130 CG1 VAL 17 -1.458 5.095 -7.376 1.00 0.00 ATOM 131 CG2 VAL 17 -3.440 6.424 -8.006 1.00 0.00 ATOM 132 O VAL 17 -1.167 2.756 -8.943 1.00 0.00 ATOM 133 C VAL 17 -2.370 2.814 -8.699 1.00 0.00 ATOM 134 N LEU 18 -3.081 1.760 -8.271 1.00 0.00 ATOM 135 CA LEU 18 -2.476 0.456 -8.002 1.00 0.00 ATOM 136 CB LEU 18 -3.446 -0.234 -6.907 1.00 0.00 ATOM 137 CG LEU 18 -3.134 -1.630 -6.331 1.00 0.00 ATOM 138 CD1 LEU 18 -3.500 -2.734 -7.334 1.00 0.00 ATOM 139 CD2 LEU 18 -1.682 -1.740 -5.927 1.00 0.00 ATOM 140 O LEU 18 -1.233 -1.108 -9.301 1.00 0.00 ATOM 141 C LEU 18 -2.095 -0.226 -9.299 1.00 0.00 ATOM 142 N ASN 19 -2.739 0.187 -10.394 1.00 0.00 ATOM 143 CA ASN 19 -2.459 -0.397 -11.707 1.00 0.00 ATOM 144 CB ASN 19 -3.312 0.273 -12.785 1.00 0.00 ATOM 145 CG ASN 19 -3.206 -0.420 -14.129 1.00 0.00 ATOM 146 ND2 ASN 19 -2.722 0.304 -15.130 1.00 0.00 ATOM 147 OD1 ASN 19 -3.555 -1.594 -14.260 1.00 0.00 ATOM 148 O ASN 19 -0.404 -0.986 -12.794 1.00 0.00 ATOM 149 C ASN 19 -0.991 -0.207 -12.062 1.00 0.00 ATOM 150 N GLU 20 -0.423 0.859 -11.554 1.00 0.00 ATOM 151 CA GLU 20 0.971 1.219 -11.784 1.00 0.00 ATOM 152 CB GLU 20 1.275 2.638 -11.332 1.00 0.00 ATOM 153 CG GLU 20 2.701 3.119 -11.649 1.00 0.00 ATOM 154 CD GLU 20 3.092 2.991 -13.128 1.00 0.00 ATOM 155 OE1 GLU 20 2.211 3.063 -14.011 1.00 0.00 ATOM 156 OE2 GLU 20 4.302 2.829 -13.411 1.00 0.00 ATOM 157 O GLU 20 2.989 -0.092 -11.618 1.00 0.00 ATOM 158 C GLU 20 1.869 0.119 -11.197 1.00 0.00 ATOM 159 N TRP 21 1.352 -0.589 -10.214 1.00 0.00 ATOM 160 CA TRP 21 2.104 -1.628 -9.562 1.00 0.00 ATOM 161 CB TRP 21 1.137 -2.290 -8.411 1.00 0.00 ATOM 162 CG TRP 21 1.722 -3.362 -7.553 1.00 0.00 ATOM 163 CD1 TRP 21 1.423 -4.701 -7.594 1.00 0.00 ATOM 164 CD2 TRP 21 2.669 -3.195 -6.491 1.00 0.00 ATOM 165 CE2 TRP 21 2.894 -4.475 -5.929 1.00 0.00 ATOM 166 CE3 TRP 21 3.348 -2.087 -5.958 1.00 0.00 ATOM 167 NE1 TRP 21 2.124 -5.373 -6.625 1.00 0.00 ATOM 168 CZ2 TRP 21 3.769 -4.681 -4.855 1.00 0.00 ATOM 169 CZ3 TRP 21 4.222 -2.292 -4.885 1.00 0.00 ATOM 170 CH2 TRP 21 4.422 -3.579 -4.345 1.00 0.00 ATOM 171 O TRP 21 2.828 -3.645 -10.606 1.00 0.00 ATOM 172 C TRP 21 1.886 -2.944 -10.293 1.00 0.00 ATOM 173 N TRP 22 0.645 -3.280 -10.592 1.00 0.00 ATOM 174 CA TRP 22 0.390 -4.544 -11.233 1.00 0.00 ATOM 175 CB TRP 22 0.613 -5.696 -10.253 1.00 0.00 ATOM 176 CG TRP 22 0.548 -7.049 -10.890 1.00 0.00 ATOM 177 CD1 TRP 22 -0.479 -7.947 -10.806 1.00 0.00 ATOM 178 CD2 TRP 22 1.548 -7.662 -11.713 1.00 0.00 ATOM 179 CE2 TRP 22 1.063 -8.928 -12.091 1.00 0.00 ATOM 180 CE3 TRP 22 2.811 -7.263 -12.164 1.00 0.00 ATOM 181 NE1 TRP 22 -0.180 -9.079 -11.526 1.00 0.00 ATOM 182 CZ2 TRP 22 1.793 -9.799 -12.899 1.00 0.00 ATOM 183 CZ3 TRP 22 3.531 -8.128 -12.966 1.00 0.00 ATOM 184 CH2 TRP 22 3.024 -9.382 -13.327 1.00 0.00 ATOM 185 O TRP 22 -1.639 -3.587 -12.010 1.00 0.00 ATOM 186 C TRP 22 -1.036 -4.614 -11.731 1.00 0.00 ATOM 187 N GLY 23 -1.566 -5.833 -11.836 1.00 0.00 ATOM 188 CA GLY 23 -2.927 -6.063 -12.287 1.00 0.00 ATOM 189 O GLY 23 -3.698 -6.717 -10.093 1.00 0.00 ATOM 190 C GLY 23 -3.885 -6.025 -11.100 1.00 0.00 ATOM 191 N GLY 24 -4.922 -5.201 -11.221 1.00 0.00 ATOM 192 CA GLY 24 -5.883 -5.083 -10.128 1.00 0.00 ATOM 193 O GLY 24 -7.751 -6.439 -9.482 1.00 0.00 ATOM 194 C GLY 24 -7.163 -5.861 -10.401 1.00 0.00 ATOM 195 N ARG 25 -7.598 -5.884 -11.656 1.00 0.00 ATOM 196 CA ARG 25 -8.792 -6.629 -11.993 1.00 0.00 ATOM 197 CB ARG 25 -9.081 -7.829 -11.559 1.00 0.00 ATOM 198 CG ARG 25 -10.062 -8.517 -12.431 1.00 0.00 ATOM 199 CD ARG 25 -10.408 -9.911 -11.964 1.00 0.00 ATOM 200 NE ARG 25 -9.241 -10.773 -11.740 1.00 0.00 ATOM 201 CZ ARG 25 -8.642 -11.473 -12.692 1.00 0.00 ATOM 202 NH1 ARG 25 -9.059 -11.400 -13.958 1.00 0.00 ATOM 203 NH2 ARG 25 -7.579 -12.214 -12.396 1.00 0.00 ATOM 204 O ARG 25 -10.256 -4.810 -11.327 1.00 0.00 ATOM 205 C ARG 25 -10.138 -5.990 -11.672 1.00 0.00 ATOM 206 N GLN 26 -11.178 -6.799 -11.816 1.00 0.00 ATOM 207 CA GLN 26 -12.548 -6.368 -11.562 1.00 0.00 ATOM 208 CB GLN 26 -13.539 -7.281 -12.288 1.00 0.00 ATOM 209 CG GLN 26 -14.990 -6.855 -12.147 1.00 0.00 ATOM 210 CD GLN 26 -15.938 -7.743 -12.930 1.00 0.00 ATOM 211 OE1 GLN 26 -15.512 -8.698 -13.580 1.00 0.00 ATOM 212 NE2 GLN 26 -17.227 -7.428 -12.875 1.00 0.00 ATOM 213 O GLN 26 -12.549 -7.435 -9.421 1.00 0.00 ATOM 214 C GLN 26 -12.825 -6.425 -10.069 1.00 0.00 ATOM 215 N LEU 27 -13.359 -5.355 -9.500 1.00 0.00 ATOM 216 CA LEU 27 -13.687 -5.318 -8.088 1.00 0.00 ATOM 217 CB LEU 27 -12.789 -4.303 -7.358 1.00 0.00 ATOM 218 CG LEU 27 -11.317 -4.634 -7.052 1.00 0.00 ATOM 219 CD1 LEU 27 -10.556 -4.908 -8.315 1.00 0.00 ATOM 220 CD2 LEU 27 -10.666 -3.468 -6.311 1.00 0.00 ATOM 221 O LEU 27 -15.685 -4.329 -8.961 1.00 0.00 ATOM 222 C LEU 27 -15.130 -4.853 -7.997 1.00 0.00 ATOM 223 N LYS 28 -15.740 -5.064 -6.850 1.00 0.00 ATOM 224 CA LYS 28 -17.124 -4.633 -6.645 1.00 0.00 ATOM 225 CB LYS 28 -18.064 -5.840 -6.625 1.00 0.00 ATOM 226 CG LYS 28 -18.123 -6.605 -7.936 1.00 0.00 ATOM 227 CD LYS 28 -19.083 -7.779 -7.849 1.00 0.00 ATOM 228 CE LYS 28 -19.141 -8.543 -9.161 1.00 0.00 ATOM 229 NZ LYS 28 -20.069 -9.705 -9.087 1.00 0.00 ATOM 230 O LYS 28 -16.355 -4.064 -4.401 1.00 0.00 ATOM 231 C LYS 28 -17.223 -3.886 -5.295 1.00 0.00 ATOM 232 N GLU 29 -18.273 -3.073 -5.209 1.00 0.00 ATOM 233 CA GLU 29 -18.585 -2.355 -3.972 1.00 0.00 ATOM 234 CB GLU 29 -20.018 -1.815 -4.011 1.00 0.00 ATOM 235 CG GLU 29 -20.236 -0.705 -5.024 1.00 0.00 ATOM 236 CD GLU 29 -21.677 -0.234 -5.073 1.00 0.00 ATOM 237 OE1 GLU 29 -22.513 -0.812 -4.348 1.00 0.00 ATOM 238 OE2 GLU 29 -21.968 0.712 -5.834 1.00 0.00 ATOM 239 O GLU 29 -18.128 -2.771 -1.648 1.00 0.00 ATOM 240 C GLU 29 -18.465 -3.239 -2.739 1.00 0.00 ATOM 241 N LYS 30 -18.742 -4.520 -2.894 1.00 0.00 ATOM 242 CA LYS 30 -18.666 -5.416 -1.740 1.00 0.00 ATOM 243 CB LYS 30 -19.360 -6.743 -2.046 1.00 0.00 ATOM 244 CG LYS 30 -19.376 -7.720 -0.880 1.00 0.00 ATOM 245 CD LYS 30 -20.128 -8.991 -1.234 1.00 0.00 ATOM 246 CE LYS 30 -20.130 -9.973 -0.074 1.00 0.00 ATOM 247 NZ LYS 30 -20.873 -11.220 -0.403 1.00 0.00 ATOM 248 O LYS 30 -16.866 -5.681 -0.188 1.00 0.00 ATOM 249 C LYS 30 -17.232 -5.724 -1.356 1.00 0.00 ATOM 250 N LEU 31 -16.433 -6.061 -2.351 1.00 0.00 ATOM 251 CA LEU 31 -15.006 -6.370 -2.082 1.00 0.00 ATOM 252 CB LEU 31 -14.398 -7.156 -3.221 1.00 0.00 ATOM 253 CG LEU 31 -14.532 -8.703 -3.129 1.00 0.00 ATOM 254 CD1 LEU 31 -15.981 -9.141 -3.286 1.00 0.00 ATOM 255 CD2 LEU 31 -13.561 -9.375 -4.073 1.00 0.00 ATOM 256 O LEU 31 -13.639 -5.118 -0.649 1.00 0.00 ATOM 257 C LEU 31 -14.249 -5.109 -1.719 1.00 0.00 ATOM 258 N PRO 32 -14.227 -4.039 -2.497 1.00 0.00 ATOM 259 CA PRO 32 -13.534 -2.825 -2.063 1.00 0.00 ATOM 260 CB PRO 32 -14.006 -1.788 -3.098 1.00 0.00 ATOM 261 CG PRO 32 -14.345 -2.595 -4.310 1.00 0.00 ATOM 262 CD PRO 32 -14.960 -3.860 -3.768 1.00 0.00 ATOM 263 O PRO 32 -13.169 -1.882 0.081 1.00 0.00 ATOM 264 C PRO 32 -13.990 -2.320 -0.710 1.00 0.00 ATOM 265 N ARG 33 -15.290 -2.325 -0.406 1.00 0.00 ATOM 266 CA ARG 33 -15.767 -1.874 0.905 1.00 0.00 ATOM 267 CB ARG 33 -17.294 -1.920 0.965 1.00 0.00 ATOM 268 CG ARG 33 -17.983 -0.870 0.110 1.00 0.00 ATOM 269 CD ARG 33 -19.495 -0.987 0.201 1.00 0.00 ATOM 270 NE ARG 33 -20.171 0.005 -0.631 1.00 0.00 ATOM 271 CZ ARG 33 -21.488 0.061 -0.805 1.00 0.00 ATOM 272 NH1 ARG 33 -22.015 0.999 -1.579 1.00 0.00 ATOM 273 NH2 ARG 33 -22.275 -0.821 -0.204 1.00 0.00 ATOM 274 O ARG 33 -14.924 -2.316 3.121 1.00 0.00 ATOM 275 C ARG 33 -15.210 -2.772 2.013 1.00 0.00 ATOM 276 N LEU 34 -15.080 -4.058 1.721 1.00 0.00 ATOM 277 CA LEU 34 -14.526 -4.985 2.696 1.00 0.00 ATOM 278 CB LEU 34 -14.723 -6.428 2.233 1.00 0.00 ATOM 279 CG LEU 34 -16.160 -6.959 2.254 1.00 0.00 ATOM 280 CD1 LEU 34 -16.227 -8.354 1.652 1.00 0.00 ATOM 281 CD2 LEU 34 -16.685 -7.031 3.678 1.00 0.00 ATOM 282 O LEU 34 -12.494 -4.558 3.876 1.00 0.00 ATOM 283 C LEU 34 -13.047 -4.635 2.788 1.00 0.00 ATOM 284 N PHE 35 -12.394 -4.428 1.651 1.00 0.00 ATOM 285 CA PHE 35 -10.984 -4.060 1.620 1.00 0.00 ATOM 286 CB PHE 35 -10.515 -4.007 0.160 1.00 0.00 ATOM 287 CG PHE 35 -9.032 -3.822 -0.014 1.00 0.00 ATOM 288 CD1 PHE 35 -8.123 -4.493 0.803 1.00 0.00 ATOM 289 CD2 PHE 35 -8.543 -3.066 -1.077 1.00 0.00 ATOM 290 CE1 PHE 35 -6.754 -4.421 0.555 1.00 0.00 ATOM 291 CE2 PHE 35 -7.175 -2.990 -1.333 1.00 0.00 ATOM 292 CZ PHE 35 -6.280 -3.669 -0.516 1.00 0.00 ATOM 293 O PHE 35 -9.814 -2.590 3.113 1.00 0.00 ATOM 294 C PHE 35 -10.757 -2.725 2.339 1.00 0.00 ATOM 295 N PHE 36 -11.623 -1.743 2.102 1.00 0.00 ATOM 296 CA PHE 36 -11.491 -0.455 2.779 1.00 0.00 ATOM 297 CB PHE 36 -12.335 0.599 2.063 1.00 0.00 ATOM 298 CG PHE 36 -11.923 0.817 0.620 1.00 0.00 ATOM 299 CD1 PHE 36 -12.506 0.089 -0.429 1.00 0.00 ATOM 300 CD2 PHE 36 -10.933 1.753 0.320 1.00 0.00 ATOM 301 CE1 PHE 36 -12.097 0.317 -1.771 1.00 0.00 ATOM 302 CE2 PHE 36 -10.523 1.979 -0.997 1.00 0.00 ATOM 303 CZ PHE 36 -11.110 1.256 -2.053 1.00 0.00 ATOM 304 O PHE 36 -11.184 0.039 5.103 1.00 0.00 ATOM 305 C PHE 36 -11.857 -0.549 4.250 1.00 0.00 ATOM 306 N GLU 37 -12.943 -1.276 4.540 1.00 0.00 ATOM 307 CA GLU 37 -13.367 -1.482 5.915 1.00 0.00 ATOM 308 CB GLU 37 -14.490 -2.517 5.990 1.00 0.00 ATOM 309 CG GLU 37 -14.997 -2.691 7.404 1.00 0.00 ATOM 310 CD GLU 37 -15.965 -3.849 7.579 1.00 0.00 ATOM 311 OE1 GLU 37 -16.869 -4.039 6.742 1.00 0.00 ATOM 312 OE2 GLU 37 -15.824 -4.554 8.591 1.00 0.00 ATOM 313 O GLU 37 -12.095 -1.233 7.952 1.00 0.00 ATOM 314 C GLU 37 -12.253 -1.871 6.904 1.00 0.00 ATOM 315 N HIS 38 -11.470 -2.896 6.601 1.00 0.00 ATOM 316 CA HIS 38 -10.414 -3.350 7.492 1.00 0.00 ATOM 317 CB HIS 38 -10.781 -4.711 8.107 1.00 0.00 ATOM 318 CG HIS 38 -11.648 -4.582 9.321 1.00 0.00 ATOM 319 CD2 HIS 38 -12.974 -4.825 9.485 1.00 0.00 ATOM 320 ND1 HIS 38 -11.221 -4.039 10.518 1.00 0.00 ATOM 321 CE1 HIS 38 -12.266 -3.949 11.339 1.00 0.00 ATOM 322 NE2 HIS 38 -13.349 -4.416 10.756 1.00 0.00 ATOM 323 O HIS 38 -8.116 -4.055 7.404 1.00 0.00 ATOM 324 C HIS 38 -9.004 -3.370 6.890 1.00 0.00 ATOM 325 N PHE 39 -8.787 -2.632 5.801 1.00 0.00 ATOM 326 CA PHE 39 -7.447 -2.572 5.204 1.00 0.00 ATOM 327 CB PHE 39 -7.117 -2.526 3.950 1.00 0.00 ATOM 328 CG PHE 39 -6.843 -3.941 3.470 1.00 0.00 ATOM 329 CD1 PHE 39 -7.731 -4.572 2.618 1.00 0.00 ATOM 330 CD2 PHE 39 -5.705 -4.640 3.850 1.00 0.00 ATOM 331 CE1 PHE 39 -7.490 -5.856 2.154 1.00 0.00 ATOM 332 CE2 PHE 39 -5.457 -5.908 3.413 1.00 0.00 ATOM 333 CZ PHE 39 -6.362 -6.511 2.549 1.00 0.00 ATOM 334 O PHE 39 -7.041 -0.566 6.486 1.00 0.00 ATOM 335 C PHE 39 -6.598 -1.665 6.090 1.00 0.00 ATOM 336 N GLN 40 -5.404 -2.146 6.432 1.00 0.00 ATOM 337 CA GLN 40 -4.486 -1.392 7.288 1.00 0.00 ATOM 338 CB GLN 40 -3.658 -2.327 8.162 1.00 0.00 ATOM 339 CG GLN 40 -4.430 -2.976 9.307 1.00 0.00 ATOM 340 CD GLN 40 -4.918 -1.876 10.247 1.00 0.00 ATOM 341 OE1 GLN 40 -4.111 -1.242 10.929 1.00 0.00 ATOM 342 NE2 GLN 40 -6.209 -1.627 10.226 1.00 0.00 ATOM 343 O GLN 40 -2.797 0.280 7.150 1.00 0.00 ATOM 344 C GLN 40 -3.589 -0.431 6.524 1.00 0.00 ATOM 345 N ASP 41 -4.028 0.926 5.515 1.00 0.00 ATOM 346 CA ASP 41 -4.062 1.350 4.102 1.00 0.00 ATOM 347 CB ASP 41 -5.232 0.664 3.391 1.00 0.00 ATOM 348 CG ASP 41 -5.380 1.132 1.946 1.00 0.00 ATOM 349 OD1 ASP 41 -4.588 1.982 1.468 1.00 0.00 ATOM 350 OD2 ASP 41 -6.312 0.641 1.291 1.00 0.00 ATOM 351 O ASP 41 -5.349 3.323 4.096 1.00 0.00 ATOM 352 C ASP 41 -4.263 2.808 3.923 1.00 0.00 ATOM 353 N THR 42 -3.185 3.466 3.543 1.00 0.00 ATOM 354 CA THR 42 -3.182 4.899 3.394 1.00 0.00 ATOM 355 CB THR 42 -1.895 5.524 3.966 1.00 0.00 ATOM 356 CG2 THR 42 -1.760 5.203 5.445 1.00 0.00 ATOM 357 OG1 THR 42 -0.758 5.000 3.271 1.00 0.00 ATOM 358 O THR 42 -2.838 4.729 1.073 1.00 0.00 ATOM 359 C THR 42 -3.272 5.391 1.977 1.00 0.00 ATOM 360 N SER 43 -3.882 6.551 1.793 1.00 0.00 ATOM 361 CA SER 43 -3.856 7.183 0.500 1.00 0.00 ATOM 362 CB SER 43 -5.252 7.180 -0.126 1.00 0.00 ATOM 363 OG SER 43 -5.709 5.856 -0.349 1.00 0.00 ATOM 364 O SER 43 -3.757 9.193 1.823 1.00 0.00 ATOM 365 C SER 43 -3.370 8.595 0.796 1.00 0.00 ATOM 366 N PHE 44 -2.484 9.110 -0.066 1.00 0.00 ATOM 367 CA PHE 44 -2.065 10.480 0.060 1.00 0.00 ATOM 368 CB PHE 44 -0.576 10.615 -0.264 1.00 0.00 ATOM 369 CG PHE 44 -0.060 12.024 -0.161 1.00 0.00 ATOM 370 CD1 PHE 44 0.213 12.589 1.072 1.00 0.00 ATOM 371 CD2 PHE 44 0.153 12.782 -1.298 1.00 0.00 ATOM 372 CE1 PHE 44 0.688 13.883 1.167 1.00 0.00 ATOM 373 CE2 PHE 44 0.628 14.076 -1.205 1.00 0.00 ATOM 374 CZ PHE 44 0.894 14.627 0.021 1.00 0.00 ATOM 375 O PHE 44 -3.061 10.656 -2.126 1.00 0.00 ATOM 376 C PHE 44 -2.978 11.139 -0.976 1.00 0.00 ATOM 377 N ILE 45 -3.691 12.203 -0.567 1.00 0.00 ATOM 378 CA ILE 45 -4.620 12.889 -1.447 1.00 0.00 ATOM 379 CB ILE 45 -6.021 13.024 -0.807 1.00 0.00 ATOM 380 CG1 ILE 45 -6.443 11.687 -0.197 1.00 0.00 ATOM 381 CG2 ILE 45 -7.043 13.531 -1.824 1.00 0.00 ATOM 382 CD1 ILE 45 -6.887 11.805 1.194 1.00 0.00 ATOM 383 O ILE 45 -3.885 15.096 -0.899 1.00 0.00 ATOM 384 C ILE 45 -4.287 14.319 -1.780 1.00 0.00 ATOM 385 N THR 46 -4.470 14.671 -3.048 1.00 0.00 ATOM 386 CA THR 46 -4.273 16.060 -3.458 1.00 0.00 ATOM 387 CB THR 46 -4.113 16.180 -4.985 1.00 0.00 ATOM 388 CG2 THR 46 -3.900 17.631 -5.386 1.00 0.00 ATOM 389 OG1 THR 46 -2.981 15.411 -5.413 1.00 0.00 ATOM 390 O THR 46 -6.644 16.542 -3.458 1.00 0.00 ATOM 391 C THR 46 -5.541 16.799 -2.977 1.00 0.00 ATOM 392 N SER 47 -5.366 17.686 -2.010 1.00 0.00 ATOM 393 CA SER 47 -6.463 18.433 -1.446 1.00 0.00 ATOM 394 CB SER 47 -5.957 19.396 -0.370 1.00 0.00 ATOM 395 OG SER 47 -5.127 20.398 -0.932 1.00 0.00 ATOM 396 O SER 47 -8.401 19.513 -2.392 1.00 0.00 ATOM 397 C SER 47 -7.205 19.270 -2.502 1.00 0.00 ATOM 398 N GLU 48 -6.479 19.694 -3.523 1.00 0.00 ATOM 399 CA GLU 48 -7.006 20.529 -4.599 1.00 0.00 ATOM 400 CB GLU 48 -5.966 20.693 -5.710 1.00 0.00 ATOM 401 CG GLU 48 -4.773 21.550 -5.320 1.00 0.00 ATOM 402 CD GLU 48 -3.740 21.647 -6.427 1.00 0.00 ATOM 403 OE1 GLU 48 -3.934 21.002 -7.478 1.00 0.00 ATOM 404 OE2 GLU 48 -2.737 22.369 -6.241 1.00 0.00 ATOM 405 O GLU 48 -9.131 20.806 -5.660 1.00 0.00 ATOM 406 C GLU 48 -8.260 20.033 -5.302 1.00 0.00 ATOM 407 N HIS 49 -8.313 18.730 -5.528 1.00 0.00 ATOM 408 CA HIS 49 -9.403 18.115 -6.249 1.00 0.00 ATOM 409 CB HIS 49 -9.008 17.865 -7.704 1.00 0.00 ATOM 410 CG HIS 49 -8.621 19.104 -8.447 1.00 0.00 ATOM 411 CD2 HIS 49 -9.336 20.179 -9.120 1.00 0.00 ATOM 412 ND1 HIS 49 -7.308 19.477 -8.640 1.00 0.00 ATOM 413 CE1 HIS 49 -7.276 20.628 -9.337 1.00 0.00 ATOM 414 NE2 HIS 49 -8.491 21.054 -9.628 1.00 0.00 ATOM 415 O HIS 49 -10.411 15.967 -6.206 1.00 0.00 ATOM 416 C HIS 49 -9.750 16.794 -5.597 1.00 0.00 ATOM 417 N ASN 50 -9.312 16.606 -4.358 1.00 0.00 ATOM 418 CA ASN 50 -9.533 15.340 -3.671 1.00 0.00 ATOM 419 CB ASN 50 -10.997 15.210 -3.243 1.00 0.00 ATOM 420 CG ASN 50 -11.391 16.237 -2.199 1.00 0.00 ATOM 421 ND2 ASN 50 -12.294 17.139 -2.569 1.00 0.00 ATOM 422 OD1 ASN 50 -10.889 16.219 -1.075 1.00 0.00 ATOM 423 O ASN 50 -10.002 13.178 -4.673 1.00 0.00 ATOM 424 C ASN 50 -9.201 14.113 -4.565 1.00 0.00 ATOM 425 N SER 51 -8.017 14.122 -5.198 1.00 0.00 ATOM 426 CA SER 51 -7.601 13.016 -6.051 1.00 0.00 ATOM 427 CB SER 51 -7.114 13.536 -7.404 1.00 0.00 ATOM 428 OG SER 51 -8.168 14.155 -8.122 1.00 0.00 ATOM 429 O SER 51 -5.598 12.886 -4.787 1.00 0.00 ATOM 430 C SER 51 -6.484 12.275 -5.372 1.00 0.00 ATOM 431 N MET 52 -6.561 10.951 -5.426 1.00 0.00 ATOM 432 CA MET 52 -5.585 10.068 -4.793 1.00 0.00 ATOM 433 CB MET 52 -6.076 8.619 -4.823 1.00 0.00 ATOM 434 CG MET 52 -5.167 7.643 -4.094 1.00 0.00 ATOM 435 SD MET 52 -5.787 5.951 -4.139 1.00 0.00 ATOM 436 CE MET 52 -7.222 6.087 -3.078 1.00 0.00 ATOM 437 O MET 52 -4.209 9.885 -6.714 1.00 0.00 ATOM 438 C MET 52 -4.275 10.160 -5.538 1.00 0.00 ATOM 439 N THR 53 -3.236 10.609 -4.839 1.00 0.00 ATOM 440 CA THR 53 -1.942 10.770 -5.479 1.00 0.00 ATOM 441 CB THR 53 -1.129 11.857 -4.830 1.00 0.00 ATOM 442 CG2 THR 53 -1.924 13.150 -5.047 1.00 0.00 ATOM 443 OG1 THR 53 -0.978 11.587 -3.435 1.00 0.00 ATOM 444 O THR 53 -0.100 9.357 -5.987 1.00 0.00 ATOM 445 C THR 53 -1.040 9.552 -5.239 1.00 0.00 ATOM 446 N GLY 54 -1.371 8.728 -4.235 1.00 0.00 ATOM 447 CA GLY 54 -0.558 7.574 -3.871 1.00 0.00 ATOM 448 O GLY 54 -2.004 7.226 -2.020 1.00 0.00 ATOM 449 C GLY 54 -1.194 6.741 -2.775 1.00 0.00 ATOM 450 N PHE 55 -0.836 5.465 -2.710 1.00 0.00 ATOM 451 CA PHE 55 -1.355 4.584 -1.686 1.00 0.00 ATOM 452 CB PHE 55 -2.622 3.844 -2.142 1.00 0.00 ATOM 453 CG PHE 55 -2.395 2.662 -3.076 1.00 0.00 ATOM 454 CD1 PHE 55 -1.853 2.839 -4.346 1.00 0.00 ATOM 455 CD2 PHE 55 -2.750 1.371 -2.677 1.00 0.00 ATOM 456 CE1 PHE 55 -1.666 1.752 -5.203 1.00 0.00 ATOM 457 CE2 PHE 55 -2.569 0.271 -3.528 1.00 0.00 ATOM 458 CZ PHE 55 -2.024 0.461 -4.793 1.00 0.00 ATOM 459 O PHE 55 0.729 3.428 -2.020 1.00 0.00 ATOM 460 C PHE 55 -0.218 3.673 -1.265 1.00 0.00 ATOM 461 N LEU 56 -0.318 3.197 -0.044 1.00 0.00 ATOM 462 CA LEU 56 0.661 2.306 0.538 1.00 0.00 ATOM 463 CB LEU 56 1.917 3.081 0.940 1.00 0.00 ATOM 464 CG LEU 56 3.026 2.273 1.617 1.00 0.00 ATOM 465 CD1 LEU 56 3.572 1.214 0.673 1.00 0.00 ATOM 466 CD2 LEU 56 4.176 3.179 2.032 1.00 0.00 ATOM 467 O LEU 56 -0.945 2.299 2.293 1.00 0.00 ATOM 468 C LEU 56 -0.026 1.699 1.757 1.00 0.00 ATOM 469 N ILE 57 0.398 0.513 2.190 1.00 0.00 ATOM 470 CA ILE 57 -0.196 -0.159 3.362 1.00 0.00 ATOM 471 CB ILE 57 -0.730 -1.510 2.869 1.00 0.00 ATOM 472 CG1 ILE 57 -1.906 -1.275 1.938 1.00 0.00 ATOM 473 CG2 ILE 57 -1.219 -2.343 4.046 1.00 0.00 ATOM 474 CD1 ILE 57 -2.352 -2.600 1.342 1.00 0.00 ATOM 475 O ILE 57 2.054 -0.889 3.867 1.00 0.00 ATOM 476 C ILE 57 0.910 -0.668 4.290 1.00 0.00 ATOM 477 N GLY 58 0.600 -0.805 5.568 1.00 0.00 ATOM 478 CA GLY 58 1.563 -1.415 6.459 1.00 0.00 ATOM 479 O GLY 58 -0.243 -1.954 7.932 1.00 0.00 ATOM 480 C GLY 58 0.733 -2.345 7.313 1.00 0.00 ATOM 481 N PHE 59 1.092 -3.613 7.256 1.00 0.00 ATOM 482 CA PHE 59 0.424 -4.652 7.958 1.00 0.00 ATOM 483 CB PHE 59 0.335 -5.911 7.092 1.00 0.00 ATOM 484 CG PHE 59 -0.355 -7.062 7.766 1.00 0.00 ATOM 485 CD1 PHE 59 -1.734 -7.100 7.869 1.00 0.00 ATOM 486 CD2 PHE 59 0.378 -8.110 8.299 1.00 0.00 ATOM 487 CE1 PHE 59 -2.367 -8.157 8.490 1.00 0.00 ATOM 488 CE2 PHE 59 -0.256 -9.167 8.919 1.00 0.00 ATOM 489 CZ PHE 59 -1.623 -9.197 9.016 1.00 0.00 ATOM 490 O PHE 59 2.409 -5.142 9.203 1.00 0.00 ATOM 491 C PHE 59 1.182 -4.989 9.222 1.00 0.00 ATOM 492 N GLN 60 0.458 -5.111 10.322 1.00 0.00 ATOM 493 CA GLN 60 1.070 -5.406 11.608 1.00 0.00 ATOM 494 CB GLN 60 0.861 -4.243 12.580 1.00 0.00 ATOM 495 CG GLN 60 1.476 -4.461 13.952 1.00 0.00 ATOM 496 CD GLN 60 1.304 -3.263 14.865 1.00 0.00 ATOM 497 OE1 GLN 60 0.707 -2.258 14.482 1.00 0.00 ATOM 498 NE2 GLN 60 1.831 -3.367 16.081 1.00 0.00 ATOM 499 O GLN 60 -0.759 -6.720 12.415 1.00 0.00 ATOM 500 C GLN 60 0.457 -6.655 12.215 1.00 0.00 ATOM 501 N SER 61 1.304 -7.645 12.494 1.00 0.00 ATOM 502 CA SER 61 0.870 -8.913 13.085 1.00 0.00 ATOM 503 CB SER 61 1.743 -10.064 12.584 1.00 0.00 ATOM 504 OG SER 61 1.589 -10.252 11.187 1.00 0.00 ATOM 505 O SER 61 1.914 -8.320 15.160 1.00 0.00 ATOM 506 C SER 61 0.965 -8.873 14.607 1.00 0.00 ATOM 507 N GLN 62 -0.020 -9.474 15.265 1.00 0.00 ATOM 508 CA GLN 62 -0.062 -9.514 16.726 1.00 0.00 ATOM 509 CB GLN 62 -1.441 -9.971 17.210 1.00 0.00 ATOM 510 CG GLN 62 -2.561 -8.993 16.899 1.00 0.00 ATOM 511 CD GLN 62 -3.920 -9.508 17.334 1.00 0.00 ATOM 512 OE1 GLN 62 -4.037 -10.618 17.851 1.00 0.00 ATOM 513 NE2 GLN 62 -4.952 -8.701 17.122 1.00 0.00 ATOM 514 O GLN 62 1.295 -10.434 18.485 1.00 0.00 ATOM 515 C GLN 62 0.978 -10.484 17.297 1.00 0.00 ATOM 516 N SER 63 1.519 -11.376 16.468 1.00 0.00 ATOM 517 CA SER 63 2.503 -12.361 16.894 1.00 0.00 ATOM 518 CB SER 63 3.057 -13.120 15.686 1.00 0.00 ATOM 519 OG SER 63 4.024 -14.077 16.084 1.00 0.00 ATOM 520 O SER 63 4.056 -12.204 18.806 1.00 0.00 ATOM 521 C SER 63 3.764 -11.854 17.642 1.00 0.00 ATOM 522 N ASP 64 4.449 -10.935 16.987 1.00 0.00 ATOM 523 CA ASP 64 5.702 -10.412 17.521 1.00 0.00 ATOM 524 CB ASP 64 6.767 -10.349 16.423 1.00 0.00 ATOM 525 CG ASP 64 7.137 -11.719 15.892 1.00 0.00 ATOM 526 OD1 ASP 64 7.679 -12.530 16.671 1.00 0.00 ATOM 527 OD2 ASP 64 6.887 -11.982 14.697 1.00 0.00 ATOM 528 O ASP 64 4.754 -8.196 17.610 1.00 0.00 ATOM 529 C ASP 64 5.566 -8.990 18.101 1.00 0.00 ATOM 530 N PRO 65 6.297 -8.671 19.153 1.00 0.00 ATOM 531 CA PRO 65 6.210 -7.319 19.748 1.00 0.00 ATOM 532 CB PRO 65 7.179 -7.372 20.931 1.00 0.00 ATOM 533 CG PRO 65 8.231 -8.342 20.508 1.00 0.00 ATOM 534 CD PRO 65 7.509 -9.468 19.822 1.00 0.00 ATOM 535 O PRO 65 7.485 -6.557 17.849 1.00 0.00 ATOM 536 C PRO 65 6.623 -6.295 18.708 1.00 0.00 ATOM 537 N GLU 66 6.122 -6.931 17.817 1.00 0.00 ATOM 538 CA GLU 66 5.353 -6.538 16.661 1.00 0.00 ATOM 539 CB GLU 66 4.473 -5.333 16.971 1.00 0.00 ATOM 540 CG GLU 66 3.016 -5.592 16.674 1.00 0.00 ATOM 541 CD GLU 66 2.339 -6.371 17.773 1.00 0.00 ATOM 542 OE1 GLU 66 1.946 -5.737 18.771 1.00 0.00 ATOM 543 OE2 GLU 66 2.214 -7.610 17.652 1.00 0.00 ATOM 544 O GLU 66 7.364 -5.647 15.645 1.00 0.00 ATOM 545 C GLU 66 6.309 -6.279 15.491 1.00 0.00 ATOM 546 N THR 67 5.943 -6.778 14.318 1.00 0.00 ATOM 547 CA THR 67 6.748 -6.510 13.156 1.00 0.00 ATOM 548 CB THR 67 7.400 -7.793 12.611 1.00 0.00 ATOM 549 CG2 THR 67 8.248 -7.481 11.388 1.00 0.00 ATOM 550 OG1 THR 67 8.237 -8.374 13.620 1.00 0.00 ATOM 551 O THR 67 4.758 -6.476 11.795 1.00 0.00 ATOM 552 C THR 67 5.819 -5.913 12.102 1.00 0.00 ATOM 553 N ALA 68 6.218 -4.790 11.555 1.00 0.00 ATOM 554 CA ALA 68 5.428 -4.164 10.503 1.00 0.00 ATOM 555 CB ALA 68 5.570 -2.650 10.563 1.00 0.00 ATOM 556 O ALA 68 7.046 -4.930 8.845 1.00 0.00 ATOM 557 C ALA 68 5.871 -4.623 9.091 1.00 0.00 ATOM 558 N TYR 69 4.930 -4.687 8.163 1.00 0.00 ATOM 559 CA TYR 69 5.240 -5.120 6.823 1.00 0.00 ATOM 560 CB TYR 69 4.783 -6.588 6.595 1.00 0.00 ATOM 561 CG TYR 69 4.829 -7.430 7.852 1.00 0.00 ATOM 562 CD1 TYR 69 3.818 -7.340 8.807 1.00 0.00 ATOM 563 CD2 TYR 69 5.912 -8.277 8.116 1.00 0.00 ATOM 564 CE1 TYR 69 3.879 -8.064 9.996 1.00 0.00 ATOM 565 CE2 TYR 69 5.983 -9.006 9.303 1.00 0.00 ATOM 566 CZ TYR 69 4.961 -8.891 10.238 1.00 0.00 ATOM 567 OH TYR 69 5.027 -9.595 11.420 1.00 0.00 ATOM 568 O TYR 69 3.466 -3.972 5.668 1.00 0.00 ATOM 569 C TYR 69 4.671 -4.085 5.846 1.00 0.00 ATOM 570 N ILE 70 5.540 -3.325 5.213 1.00 0.00 ATOM 571 CA ILE 70 5.053 -2.350 4.242 1.00 0.00 ATOM 572 CB ILE 70 6.133 -1.255 4.040 1.00 0.00 ATOM 573 CG1 ILE 70 6.465 -0.602 5.389 1.00 0.00 ATOM 574 CG2 ILE 70 5.660 -0.206 3.039 1.00 0.00 ATOM 575 CD1 ILE 70 7.615 0.393 5.331 1.00 0.00 ATOM 576 O ILE 70 5.600 -3.726 2.392 1.00 0.00 ATOM 577 C ILE 70 4.751 -3.049 2.918 1.00 0.00 ATOM 578 N HIS 71 3.533 -2.901 2.412 1.00 0.00 ATOM 579 CA HIS 71 3.092 -3.560 1.185 1.00 0.00 ATOM 580 CB HIS 71 1.901 -4.188 1.262 1.00 0.00 ATOM 581 CG HIS 71 1.176 -4.412 2.549 1.00 0.00 ATOM 582 CD2 HIS 71 -0.047 -3.960 2.937 1.00 0.00 ATOM 583 ND1 HIS 71 1.749 -5.112 3.582 1.00 0.00 ATOM 584 CE1 HIS 71 0.871 -5.087 4.572 1.00 0.00 ATOM 585 NE2 HIS 71 -0.235 -4.405 4.234 1.00 0.00 ATOM 586 O HIS 71 1.989 -1.510 0.605 1.00 0.00 ATOM 587 C HIS 71 2.434 -2.592 0.205 1.00 0.00 ATOM 588 N PHE 72 2.345 -3.017 -1.063 1.00 0.00 ATOM 589 CA PHE 72 1.657 -2.280 -2.125 1.00 0.00 ATOM 590 CB PHE 72 0.845 -3.046 -3.074 1.00 0.00 ATOM 591 CG PHE 72 -0.621 -3.205 -2.843 1.00 0.00 ATOM 592 CD1 PHE 72 -1.126 -4.039 -1.871 1.00 0.00 ATOM 593 CD2 PHE 72 -1.513 -2.507 -3.642 1.00 0.00 ATOM 594 CE1 PHE 72 -2.494 -4.169 -1.687 1.00 0.00 ATOM 595 CE2 PHE 72 -2.874 -2.639 -3.482 1.00 0.00 ATOM 596 CZ PHE 72 -3.365 -3.469 -2.495 1.00 0.00 ATOM 597 O PHE 72 0.895 0.013 -2.217 1.00 0.00 ATOM 598 C PHE 72 1.849 -0.777 -2.267 1.00 0.00 ATOM 599 N SER 73 3.097 -0.384 -2.459 1.00 0.00 ATOM 600 CA SER 73 3.404 1.013 -2.596 1.00 0.00 ATOM 601 CB SER 73 4.868 1.277 -2.236 1.00 0.00 ATOM 602 OG SER 73 5.214 2.631 -2.466 1.00 0.00 ATOM 603 O SER 73 3.749 0.929 -4.875 1.00 0.00 ATOM 604 C SER 73 3.185 1.480 -3.985 1.00 0.00 ATOM 605 N GLY 74 2.384 2.512 -4.188 1.00 0.00 ATOM 606 CA GLY 74 2.182 2.977 -5.554 1.00 0.00 ATOM 607 O GLY 74 1.046 5.001 -4.861 1.00 0.00 ATOM 608 C GLY 74 1.932 4.476 -5.568 1.00 0.00 ATOM 609 N VAL 75 2.748 5.162 -6.347 1.00 0.00 ATOM 610 CA VAL 75 2.597 6.577 -6.532 1.00 0.00 ATOM 611 CB VAL 75 3.961 7.288 -6.581 1.00 0.00 ATOM 612 CG1 VAL 75 3.776 8.776 -6.839 1.00 0.00 ATOM 613 CG2 VAL 75 4.700 7.116 -5.263 1.00 0.00 ATOM 614 O VAL 75 2.210 6.102 -8.867 1.00 0.00 ATOM 615 C VAL 75 1.856 6.720 -7.868 1.00 0.00 ATOM 616 N HIS 76 0.793 7.510 -7.880 1.00 0.00 ATOM 617 CA HIS 76 -0.000 7.667 -9.092 1.00 0.00 ATOM 618 CB HIS 76 -1.209 8.565 -8.826 1.00 0.00 ATOM 619 CG HIS 76 -2.156 8.661 -9.983 1.00 0.00 ATOM 620 CD2 HIS 76 -2.381 9.611 -11.064 1.00 0.00 ATOM 621 ND1 HIS 76 -3.114 7.706 -10.243 1.00 0.00 ATOM 622 CE1 HIS 76 -3.806 8.066 -11.338 1.00 0.00 ATOM 623 NE2 HIS 76 -3.371 9.208 -11.837 1.00 0.00 ATOM 624 O HIS 76 1.750 9.083 -9.895 1.00 0.00 ATOM 625 C HIS 76 0.847 8.293 -10.178 1.00 0.00 ATOM 626 N PRO 77 0.566 7.928 -11.418 1.00 0.00 ATOM 627 CA PRO 77 1.353 8.408 -12.552 1.00 0.00 ATOM 628 CB PRO 77 0.650 7.809 -13.772 1.00 0.00 ATOM 629 CG PRO 77 -0.001 6.570 -13.255 1.00 0.00 ATOM 630 CD PRO 77 -0.488 6.901 -11.871 1.00 0.00 ATOM 631 O PRO 77 2.528 10.418 -13.123 1.00 0.00 ATOM 632 C PRO 77 1.463 9.917 -12.747 1.00 0.00 ATOM 633 N ASP 78 0.386 10.649 -12.497 1.00 0.00 ATOM 634 CA ASP 78 0.465 12.106 -12.678 1.00 0.00 ATOM 635 CB ASP 78 -0.934 12.700 -12.859 1.00 0.00 ATOM 636 CG ASP 78 -1.563 12.315 -14.184 1.00 0.00 ATOM 637 OD1 ASP 78 -2.339 13.125 -14.731 1.00 0.00 ATOM 638 OD2 ASP 78 -1.281 11.199 -14.672 1.00 0.00 ATOM 639 O ASP 78 1.248 14.017 -11.434 1.00 0.00 ATOM 640 C ASP 78 1.112 12.786 -11.470 1.00 0.00 ATOM 641 N PHE 79 1.508 11.988 -10.483 1.00 0.00 ATOM 642 CA PHE 79 2.052 12.556 -9.279 1.00 0.00 ATOM 643 CB PHE 79 1.228 12.127 -8.062 1.00 0.00 ATOM 644 CG PHE 79 -0.203 12.579 -8.112 1.00 0.00 ATOM 645 CD1 PHE 79 -1.200 11.720 -8.541 1.00 0.00 ATOM 646 CD2 PHE 79 -0.553 13.861 -7.729 1.00 0.00 ATOM 647 CE1 PHE 79 -2.517 12.135 -8.585 1.00 0.00 ATOM 648 CE2 PHE 79 -1.871 14.276 -7.774 1.00 0.00 ATOM 649 CZ PHE 79 -2.851 13.419 -8.200 1.00 0.00 ATOM 650 O PHE 79 4.021 12.439 -7.986 1.00 0.00 ATOM 651 C PHE 79 3.457 12.143 -9.021 1.00 0.00 ATOM 652 N ARG 80 4.041 11.453 -9.978 1.00 0.00 ATOM 653 CA ARG 80 5.401 10.987 -9.802 1.00 0.00 ATOM 654 CB ARG 80 6.052 10.149 -10.489 1.00 0.00 ATOM 655 CG ARG 80 6.177 8.995 -9.555 1.00 0.00 ATOM 656 CD ARG 80 6.840 7.825 -10.223 1.00 0.00 ATOM 657 NE ARG 80 6.857 6.696 -9.306 1.00 0.00 ATOM 658 CZ ARG 80 7.800 6.488 -8.394 1.00 0.00 ATOM 659 NH1 ARG 80 8.849 7.306 -8.295 1.00 0.00 ATOM 660 NH2 ARG 80 7.705 5.435 -7.603 1.00 0.00 ATOM 661 O ARG 80 6.030 13.239 -10.198 1.00 0.00 ATOM 662 C ARG 80 6.340 12.140 -9.739 1.00 0.00 ATOM 663 N LYS 81 7.494 11.861 -9.159 1.00 0.00 ATOM 664 CA LYS 81 8.540 12.844 -9.002 1.00 0.00 ATOM 665 CB LYS 81 8.903 13.459 -10.355 1.00 0.00 ATOM 666 CG LYS 81 9.421 12.458 -11.373 1.00 0.00 ATOM 667 CD LYS 81 9.775 13.140 -12.686 1.00 0.00 ATOM 668 CE LYS 81 10.293 12.138 -13.705 1.00 0.00 ATOM 669 NZ LYS 81 10.631 12.790 -15.001 1.00 0.00 ATOM 670 O LYS 81 8.995 14.978 -8.180 1.00 0.00 ATOM 671 C LYS 81 8.257 14.028 -8.105 1.00 0.00 ATOM 672 N MET 82 7.217 14.019 -7.276 1.00 0.00 ATOM 673 CA MET 82 6.955 15.145 -6.413 1.00 0.00 ATOM 674 CB MET 82 5.454 15.298 -6.262 1.00 0.00 ATOM 675 CG MET 82 4.809 15.492 -7.620 1.00 0.00 ATOM 676 SD MET 82 3.234 16.120 -7.411 1.00 0.00 ATOM 677 CE MET 82 3.610 17.793 -6.920 1.00 0.00 ATOM 678 O MET 82 8.006 14.105 -4.537 1.00 0.00 ATOM 679 C MET 82 7.651 15.151 -5.070 1.00 0.00 ATOM 680 N GLN 83 8.601 13.790 -4.062 1.00 0.00 ATOM 681 CA GLN 83 8.675 13.327 -2.692 1.00 0.00 ATOM 682 CB GLN 83 9.527 14.844 -2.117 1.00 0.00 ATOM 683 CG GLN 83 8.417 15.625 -1.435 1.00 0.00 ATOM 684 CD GLN 83 8.722 17.120 -1.342 1.00 0.00 ATOM 685 OE1 GLN 83 9.625 17.550 -0.615 1.00 0.00 ATOM 686 NE2 GLN 83 7.977 17.914 -2.092 1.00 0.00 ATOM 687 O GLN 83 7.350 12.314 -1.034 1.00 0.00 ATOM 688 C GLN 83 7.427 12.643 -2.195 1.00 0.00 ATOM 689 N ILE 84 6.439 12.433 -3.062 1.00 0.00 ATOM 690 CA ILE 84 5.205 11.813 -2.626 1.00 0.00 ATOM 691 CB ILE 84 4.211 11.696 -3.798 1.00 0.00 ATOM 692 CG1 ILE 84 3.757 13.055 -4.291 1.00 0.00 ATOM 693 CG2 ILE 84 3.032 10.815 -3.417 1.00 0.00 ATOM 694 CD1 ILE 84 3.005 13.110 -5.584 1.00 0.00 ATOM 695 O ILE 84 4.937 10.049 -1.006 1.00 0.00 ATOM 696 C ILE 84 5.481 10.458 -2.011 1.00 0.00 ATOM 697 N GLY 85 6.366 9.708 -2.677 1.00 0.00 ATOM 698 CA GLY 85 6.661 8.338 -2.160 1.00 0.00 ATOM 699 O GLY 85 7.066 7.711 0.133 1.00 0.00 ATOM 700 C GLY 85 7.382 8.410 -0.842 1.00 0.00 ATOM 701 N LYS 86 8.395 9.266 -0.695 1.00 0.00 ATOM 702 CA LYS 86 9.101 9.368 0.586 1.00 0.00 ATOM 703 CB LYS 86 9.749 10.914 0.563 1.00 0.00 ATOM 704 CG LYS 86 11.001 11.201 1.394 1.00 0.00 ATOM 705 CD LYS 86 11.129 12.671 1.583 1.00 0.00 ATOM 706 CE LYS 86 12.453 12.989 2.301 1.00 0.00 ATOM 707 NZ LYS 86 12.583 14.427 2.649 1.00 0.00 ATOM 708 O LYS 86 8.317 9.252 2.880 1.00 0.00 ATOM 709 C LYS 86 8.216 9.743 1.735 1.00 0.00 ATOM 710 N GLN 87 7.289 10.691 1.464 1.00 0.00 ATOM 711 CA GLN 87 6.380 11.157 2.533 1.00 0.00 ATOM 712 CB GLN 87 5.499 12.301 2.027 1.00 0.00 ATOM 713 CG GLN 87 6.251 13.595 1.764 1.00 0.00 ATOM 714 CD GLN 87 5.358 14.684 1.201 1.00 0.00 ATOM 715 OE1 GLN 87 4.167 14.470 0.978 1.00 0.00 ATOM 716 NE2 GLN 87 5.935 15.857 0.969 1.00 0.00 ATOM 717 O GLN 87 5.253 9.863 4.169 1.00 0.00 ATOM 718 C GLN 87 5.492 10.014 2.978 1.00 0.00 ATOM 719 N LEU 88 5.013 9.214 2.012 1.00 0.00 ATOM 720 CA LEU 88 4.112 8.095 2.331 1.00 0.00 ATOM 721 CB LEU 88 3.692 7.365 1.055 1.00 0.00 ATOM 722 CG LEU 88 2.717 8.108 0.139 1.00 0.00 ATOM 723 CD1 LEU 88 2.484 7.328 -1.145 1.00 0.00 ATOM 724 CD2 LEU 88 1.374 8.302 0.828 1.00 0.00 ATOM 725 O LEU 88 4.216 6.666 4.294 1.00 0.00 ATOM 726 C LEU 88 4.784 7.069 3.260 1.00 0.00 ATOM 727 N TYR 89 5.994 6.675 2.899 1.00 0.00 ATOM 728 CA TYR 89 6.749 5.728 3.698 1.00 0.00 ATOM 729 CB TYR 89 8.108 5.450 3.059 1.00 0.00 ATOM 730 CG TYR 89 8.041 4.562 1.837 1.00 0.00 ATOM 731 CD1 TYR 89 8.047 5.108 0.559 1.00 0.00 ATOM 732 CD2 TYR 89 7.972 3.181 1.964 1.00 0.00 ATOM 733 CE1 TYR 89 7.986 4.305 -0.563 1.00 0.00 ATOM 734 CE2 TYR 89 7.910 2.362 0.853 1.00 0.00 ATOM 735 CZ TYR 89 7.917 2.936 -0.418 1.00 0.00 ATOM 736 OH TYR 89 7.854 2.133 -1.534 1.00 0.00 ATOM 737 O TYR 89 6.666 5.686 6.095 1.00 0.00 ATOM 738 C TYR 89 6.946 6.335 5.086 1.00 0.00 ATOM 739 N ASP 90 7.396 7.574 5.152 1.00 0.00 ATOM 740 CA ASP 90 7.615 8.199 6.454 1.00 0.00 ATOM 741 CB ASP 90 7.972 9.677 6.286 1.00 0.00 ATOM 742 CG ASP 90 9.360 9.881 5.714 1.00 0.00 ATOM 743 OD1 ASP 90 9.820 11.041 5.671 1.00 0.00 ATOM 744 OD2 ASP 90 9.988 8.880 5.310 1.00 0.00 ATOM 745 O ASP 90 6.523 7.850 8.509 1.00 0.00 ATOM 746 C ASP 90 6.413 8.122 7.319 1.00 0.00 ATOM 747 N VAL 91 5.246 8.368 6.742 1.00 0.00 ATOM 748 CA VAL 91 3.998 8.268 7.495 1.00 0.00 ATOM 749 CB VAL 91 2.783 8.628 6.621 1.00 0.00 ATOM 750 CG1 VAL 91 1.488 8.316 7.355 1.00 0.00 ATOM 751 CG2 VAL 91 2.793 10.108 6.275 1.00 0.00 ATOM 752 O VAL 91 3.442 6.622 9.154 1.00 0.00 ATOM 753 C VAL 91 3.817 6.839 8.004 1.00 0.00 ATOM 754 N PHE 92 4.097 5.869 7.142 1.00 0.00 ATOM 755 CA PHE 92 3.980 4.463 7.501 1.00 0.00 ATOM 756 CB PHE 92 4.411 3.576 6.328 1.00 0.00 ATOM 757 CG PHE 92 4.369 2.093 6.615 1.00 0.00 ATOM 758 CD1 PHE 92 5.387 1.449 7.292 1.00 0.00 ATOM 759 CD2 PHE 92 3.311 1.324 6.171 1.00 0.00 ATOM 760 CE1 PHE 92 5.352 0.086 7.574 1.00 0.00 ATOM 761 CE2 PHE 92 3.250 -0.040 6.448 1.00 0.00 ATOM 762 CZ PHE 92 4.280 -0.659 7.143 1.00 0.00 ATOM 763 O PHE 92 4.423 3.539 9.686 1.00 0.00 ATOM 764 C PHE 92 4.877 4.118 8.702 1.00 0.00 ATOM 765 N ILE 93 6.150 4.485 8.607 1.00 0.00 ATOM 766 CA ILE 93 7.121 4.209 9.663 1.00 0.00 ATOM 767 CB ILE 93 8.537 4.683 9.225 1.00 0.00 ATOM 768 CG1 ILE 93 9.021 3.816 8.059 1.00 0.00 ATOM 769 CG2 ILE 93 9.528 4.600 10.388 1.00 0.00 ATOM 770 CD1 ILE 93 10.387 4.211 7.509 1.00 0.00 ATOM 771 O ILE 93 6.770 4.235 12.040 1.00 0.00 ATOM 772 C ILE 93 6.729 4.867 10.985 1.00 0.00 ATOM 773 N GLU 94 6.332 6.133 10.924 1.00 0.00 ATOM 774 CA GLU 94 5.937 6.868 12.116 1.00 0.00 ATOM 775 CB GLU 94 5.696 8.339 11.761 1.00 0.00 ATOM 776 CG GLU 94 6.092 9.323 12.851 1.00 0.00 ATOM 777 CD GLU 94 7.575 9.273 13.172 1.00 0.00 ATOM 778 OE1 GLU 94 7.928 8.792 14.270 1.00 0.00 ATOM 779 OE2 GLU 94 8.388 9.714 12.328 1.00 0.00 ATOM 780 O GLU 94 4.573 6.189 13.979 1.00 0.00 ATOM 781 C GLU 94 4.677 6.280 12.754 1.00 0.00 ATOM 782 N THR 95 3.721 5.875 11.923 1.00 0.00 ATOM 783 CA THR 95 2.473 5.321 12.428 1.00 0.00 ATOM 784 CB THR 95 1.429 5.189 11.295 1.00 0.00 ATOM 785 CG2 THR 95 0.103 4.651 11.837 1.00 0.00 ATOM 786 OG1 THR 95 1.195 6.477 10.714 1.00 0.00 ATOM 787 O THR 95 2.138 3.681 14.156 1.00 0.00 ATOM 788 C THR 95 2.692 3.963 13.089 1.00 0.00 ATOM 789 N VAL 96 3.500 3.118 12.468 1.00 0.00 ATOM 790 CA VAL 96 3.777 1.802 13.033 1.00 0.00 ATOM 791 CB VAL 96 4.572 0.921 12.045 1.00 0.00 ATOM 792 CG1 VAL 96 5.105 -0.328 12.756 1.00 0.00 ATOM 793 CG2 VAL 96 3.662 0.516 10.885 1.00 0.00 ATOM 794 O VAL 96 4.300 1.305 15.325 1.00 0.00 ATOM 795 C VAL 96 4.573 1.967 14.321 1.00 0.00 ATOM 796 N LYS 97 5.562 2.854 14.293 1.00 0.00 ATOM 797 CA LYS 97 6.371 3.098 15.479 1.00 0.00 ATOM 798 CB LYS 97 7.416 4.178 15.200 1.00 0.00 ATOM 799 CG LYS 97 8.304 4.499 16.399 1.00 0.00 ATOM 800 CD LYS 97 9.343 5.551 16.031 1.00 0.00 ATOM 801 CE LYS 97 10.258 5.871 17.198 1.00 0.00 ATOM 802 NZ LYS 97 11.356 6.789 16.778 1.00 0.00 ATOM 803 O LYS 97 5.649 3.061 17.763 1.00 0.00 ATOM 804 C LYS 97 5.484 3.538 16.639 1.00 0.00 ATOM 805 N GLN 98 4.545 4.435 16.373 1.00 0.00 ATOM 806 CA GLN 98 3.653 4.937 17.400 1.00 0.00 ATOM 807 CB GLN 98 2.701 5.962 16.783 1.00 0.00 ATOM 808 CG GLN 98 1.625 6.472 17.728 1.00 0.00 ATOM 809 CD GLN 98 1.039 7.764 17.225 1.00 0.00 ATOM 810 OE1 GLN 98 1.258 8.819 17.812 1.00 0.00 ATOM 811 NE2 GLN 98 0.358 7.698 16.074 1.00 0.00 ATOM 812 O GLN 98 2.848 3.674 19.247 1.00 0.00 ATOM 813 C GLN 98 2.883 3.805 18.044 1.00 0.00 ATOM 814 N ARG 99 2.232 2.938 17.138 1.00 0.00 ATOM 815 CA ARG 99 1.438 1.794 17.552 1.00 0.00 ATOM 816 CB ARG 99 0.828 1.066 16.344 1.00 0.00 ATOM 817 CG ARG 99 -0.395 1.872 15.815 1.00 0.00 ATOM 818 CD ARG 99 -0.885 1.282 14.494 1.00 0.00 ATOM 819 NE ARG 99 -2.184 1.821 14.145 1.00 0.00 ATOM 820 CZ ARG 99 -2.796 1.640 12.987 1.00 0.00 ATOM 821 NH1 ARG 99 -2.218 1.084 11.963 1.00 0.00 ATOM 822 NH2 ARG 99 -4.060 2.055 12.879 1.00 0.00 ATOM 823 O ARG 99 1.990 0.379 19.400 1.00 0.00 ATOM 824 C ARG 99 2.366 0.841 18.316 1.00 0.00 ATOM 825 N GLY 100 4.416 0.770 18.199 1.00 0.00 ATOM 826 CA GLY 100 5.403 0.060 18.984 1.00 0.00 ATOM 827 O GLY 100 6.883 -1.766 18.769 1.00 0.00 ATOM 828 C GLY 100 6.263 -0.920 18.185 1.00 0.00 ATOM 829 N CYS 101 6.287 -0.834 16.861 1.00 0.00 ATOM 830 CA CYS 101 7.128 -1.728 16.088 1.00 0.00 ATOM 831 CB CYS 101 6.938 -1.483 14.591 1.00 0.00 ATOM 832 SG CYS 101 5.303 -1.928 13.962 1.00 0.00 ATOM 833 O CYS 101 8.974 -0.319 16.682 1.00 0.00 ATOM 834 C CYS 101 8.581 -1.464 16.473 1.00 0.00 ATOM 835 N THR 102 9.362 -2.531 16.597 1.00 0.00 ATOM 836 CA THR 102 10.757 -2.416 16.919 1.00 0.00 ATOM 837 CB THR 102 11.272 -3.667 17.655 1.00 0.00 ATOM 838 CG2 THR 102 10.475 -3.904 18.927 1.00 0.00 ATOM 839 OG1 THR 102 11.140 -4.813 16.803 1.00 0.00 ATOM 840 O THR 102 12.628 -1.894 15.508 1.00 0.00 ATOM 841 C THR 102 11.469 -2.249 15.571 1.00 0.00 ATOM 842 N ARG 103 10.760 -2.540 14.486 1.00 0.00 ATOM 843 CA ARG 103 11.305 -2.324 13.150 1.00 0.00 ATOM 844 CB ARG 103 12.056 -3.550 12.696 1.00 0.00 ATOM 845 CG ARG 103 13.563 -3.341 12.766 1.00 0.00 ATOM 846 CD ARG 103 14.317 -4.561 12.258 1.00 0.00 ATOM 847 NE ARG 103 14.076 -5.738 13.090 1.00 0.00 ATOM 848 CZ ARG 103 14.074 -6.989 12.637 1.00 0.00 ATOM 849 NH1 ARG 103 14.301 -7.234 11.352 1.00 0.00 ATOM 850 NH2 ARG 103 13.845 -7.997 13.468 1.00 0.00 ATOM 851 O ARG 103 9.131 -2.937 12.312 1.00 0.00 ATOM 852 C ARG 103 10.209 -2.371 12.099 1.00 0.00 ATOM 853 N VAL 104 10.519 -1.768 10.956 1.00 0.00 ATOM 854 CA VAL 104 9.618 -1.752 9.841 1.00 0.00 ATOM 855 CB VAL 104 8.989 -0.361 9.642 1.00 0.00 ATOM 856 CG1 VAL 104 10.074 0.685 9.431 1.00 0.00 ATOM 857 CG2 VAL 104 8.074 -0.356 8.428 1.00 0.00 ATOM 858 O VAL 104 11.537 -1.609 8.396 1.00 0.00 ATOM 859 C VAL 104 10.438 -2.133 8.628 1.00 0.00 ATOM 860 N LYS 105 9.927 -3.081 7.867 1.00 0.00 ATOM 861 CA LYS 105 10.622 -3.535 6.685 1.00 0.00 ATOM 862 CB LYS 105 11.229 -4.569 6.368 1.00 0.00 ATOM 863 CG LYS 105 11.534 -4.487 4.863 1.00 0.00 ATOM 864 CD LYS 105 12.263 -5.719 4.379 1.00 0.00 ATOM 865 CE LYS 105 12.751 -5.494 2.930 1.00 0.00 ATOM 866 NZ LYS 105 13.359 -6.745 2.426 1.00 0.00 ATOM 867 O LYS 105 8.495 -3.315 5.534 1.00 0.00 ATOM 868 C LYS 105 9.734 -3.429 5.441 1.00 0.00 ATOM 869 N CYS 106 10.388 -3.470 4.293 1.00 0.00 ATOM 870 CA CYS 106 9.737 -3.421 3.020 1.00 0.00 ATOM 871 CB CYS 106 9.343 -1.982 2.676 1.00 0.00 ATOM 872 SG CYS 106 8.429 -1.808 1.127 1.00 0.00 ATOM 873 O CYS 106 11.956 -4.030 2.165 1.00 0.00 ATOM 874 C CYS 106 10.723 -3.958 1.962 1.00 0.00 ATOM 875 N VAL 107 10.188 -4.342 0.826 1.00 0.00 ATOM 876 CA VAL 107 11.036 -4.865 -0.223 1.00 0.00 ATOM 877 CB VAL 107 10.457 -6.221 -0.771 1.00 0.00 ATOM 878 CG1 VAL 107 11.285 -6.729 -1.963 1.00 0.00 ATOM 879 CG2 VAL 107 10.441 -7.262 0.286 1.00 0.00 ATOM 880 O VAL 107 10.055 -3.298 -1.703 1.00 0.00 ATOM 881 C VAL 107 11.060 -3.944 -1.416 1.00 0.00 ATOM 882 N THR 108 12.184 -3.832 -2.091 1.00 0.00 ATOM 883 CA THR 108 12.257 -2.988 -3.280 1.00 0.00 ATOM 884 CB THR 108 13.184 -1.791 -2.987 1.00 0.00 ATOM 885 CG2 THR 108 13.351 -0.899 -4.210 1.00 0.00 ATOM 886 OG1 THR 108 12.587 -1.005 -1.918 1.00 0.00 ATOM 887 O THR 108 13.817 -4.347 -4.401 1.00 0.00 ATOM 888 C THR 108 12.730 -3.790 -4.488 1.00 0.00 ATOM 889 N SER 109 11.943 -3.860 -5.554 1.00 0.00 ATOM 890 CA SER 109 12.342 -4.568 -6.777 1.00 0.00 ATOM 891 CB SER 109 11.325 -5.656 -7.123 1.00 0.00 ATOM 892 OG SER 109 10.082 -5.091 -7.502 1.00 0.00 ATOM 893 O SER 109 11.952 -2.412 -7.771 1.00 0.00 ATOM 894 C SER 109 12.411 -3.542 -7.912 1.00 0.00 ATOM 895 N PRO 110 12.987 -3.899 -9.048 1.00 0.00 ATOM 896 CA PRO 110 13.210 -2.924 -10.124 1.00 0.00 ATOM 897 CB PRO 110 14.334 -3.546 -10.957 1.00 0.00 ATOM 898 CG PRO 110 14.158 -5.017 -10.782 1.00 0.00 ATOM 899 CD PRO 110 13.825 -5.229 -9.331 1.00 0.00 ATOM 900 O PRO 110 11.741 -3.349 -11.997 1.00 0.00 ATOM 901 C PRO 110 11.943 -2.713 -10.967 1.00 0.00 ATOM 902 N VAL 111 11.113 -1.818 -10.436 1.00 0.00 ATOM 903 CA VAL 111 9.803 -1.557 -11.018 1.00 0.00 ATOM 904 CB VAL 111 8.670 -2.078 -10.114 1.00 0.00 ATOM 905 CG1 VAL 111 8.773 -3.586 -9.946 1.00 0.00 ATOM 906 CG2 VAL 111 8.747 -1.434 -8.738 1.00 0.00 ATOM 907 O VAL 111 10.327 0.755 -10.596 1.00 0.00 ATOM 908 C VAL 111 9.608 -0.051 -11.210 1.00 0.00 ATOM 909 N ASN 112 8.632 0.313 -12.025 1.00 0.00 ATOM 910 CA ASN 112 8.291 1.711 -12.235 1.00 0.00 ATOM 911 CB ASN 112 7.284 1.851 -13.378 1.00 0.00 ATOM 912 CG ASN 112 7.910 1.627 -14.738 1.00 0.00 ATOM 913 ND2 ASN 112 9.165 1.192 -14.745 1.00 0.00 ATOM 914 OD1 ASN 112 7.273 1.842 -15.770 1.00 0.00 ATOM 915 O ASN 112 7.952 3.502 -10.609 1.00 0.00 ATOM 916 C ASN 112 7.667 2.326 -10.969 1.00 0.00 ATOM 917 N LYS 113 6.809 1.519 -10.326 1.00 0.00 ATOM 918 CA LYS 113 6.080 1.981 -9.138 1.00 0.00 ATOM 919 CB LYS 113 4.705 0.901 -9.339 1.00 0.00 ATOM 920 CG LYS 113 4.644 0.179 -10.701 1.00 0.00 ATOM 921 CD LYS 113 4.317 1.115 -11.820 1.00 0.00 ATOM 922 CE LYS 113 4.349 0.451 -13.186 1.00 0.00 ATOM 923 NZ LYS 113 5.759 0.319 -13.658 1.00 0.00 ATOM 924 O LYS 113 6.628 2.391 -6.809 1.00 0.00 ATOM 925 C LYS 113 6.955 1.874 -7.888 1.00 0.00 ATOM 926 N VAL 114 8.105 1.270 -8.049 1.00 0.00 ATOM 927 CA VAL 114 8.993 1.107 -6.899 1.00 0.00 ATOM 928 CB VAL 114 9.411 -0.364 -6.711 1.00 0.00 ATOM 929 CG1 VAL 114 10.379 -0.498 -5.545 1.00 0.00 ATOM 930 CG2 VAL 114 8.193 -1.231 -6.430 1.00 0.00 ATOM 931 O VAL 114 10.917 1.845 -8.119 1.00 0.00 ATOM 932 C VAL 114 10.247 1.929 -7.088 1.00 0.00 ATOM 933 N SER 115 10.629 2.774 -6.135 1.00 0.00 ATOM 934 CA SER 115 11.841 3.536 -6.430 1.00 0.00 ATOM 935 CB SER 115 11.597 5.031 -6.221 1.00 0.00 ATOM 936 OG SER 115 12.791 5.774 -6.407 1.00 0.00 ATOM 937 O SER 115 12.771 2.964 -4.299 1.00 0.00 ATOM 938 C SER 115 12.952 3.073 -5.498 1.00 0.00 ATOM 939 N ILE 116 14.089 2.749 -6.116 1.00 0.00 ATOM 940 CA ILE 116 15.272 2.341 -5.364 1.00 0.00 ATOM 941 CB ILE 116 16.354 1.862 -6.344 1.00 0.00 ATOM 942 CG1 ILE 116 15.881 0.589 -7.042 1.00 0.00 ATOM 943 CG2 ILE 116 17.669 1.681 -5.630 1.00 0.00 ATOM 944 CD1 ILE 116 16.744 0.134 -8.205 1.00 0.00 ATOM 945 O ILE 116 16.048 3.222 -3.298 1.00 0.00 ATOM 946 C ILE 116 15.810 3.462 -4.478 1.00 0.00 ATOM 947 N ALA 117 15.952 4.676 -4.989 1.00 0.00 ATOM 948 CA ALA 117 16.543 5.749 -4.194 1.00 0.00 ATOM 949 CB ALA 117 16.797 6.924 -5.145 1.00 0.00 ATOM 950 O ALA 117 16.228 6.806 -2.070 1.00 0.00 ATOM 951 C ALA 117 15.701 6.271 -3.043 1.00 0.00 ATOM 952 N TYR 118 14.379 6.114 -3.175 1.00 0.00 ATOM 953 CA TYR 118 13.484 6.719 -2.190 1.00 0.00 ATOM 954 CB TYR 118 12.028 6.544 -2.633 1.00 0.00 ATOM 955 CG TYR 118 11.620 7.580 -3.668 1.00 0.00 ATOM 956 CD1 TYR 118 11.374 7.264 -4.985 1.00 0.00 ATOM 957 CD2 TYR 118 11.474 8.895 -3.224 1.00 0.00 ATOM 958 CE1 TYR 118 10.938 8.254 -5.880 1.00 0.00 ATOM 959 CE2 TYR 118 10.993 9.863 -4.095 1.00 0.00 ATOM 960 CZ TYR 118 10.747 9.526 -5.395 1.00 0.00 ATOM 961 OH TYR 118 10.250 10.526 -6.225 1.00 0.00 ATOM 962 O TYR 118 13.638 6.894 0.209 1.00 0.00 ATOM 963 C TYR 118 13.685 6.196 -0.786 1.00 0.00 ATOM 964 N HIS 119 13.787 4.837 -0.646 1.00 0.00 ATOM 965 CA HIS 119 13.989 4.317 0.700 1.00 0.00 ATOM 966 CB HIS 119 13.938 2.771 0.724 1.00 0.00 ATOM 967 CG HIS 119 12.549 2.247 0.527 1.00 0.00 ATOM 968 CD2 HIS 119 11.333 2.826 0.750 1.00 0.00 ATOM 969 ND1 HIS 119 12.294 0.981 0.023 1.00 0.00 ATOM 970 CE1 HIS 119 10.973 0.803 -0.032 1.00 0.00 ATOM 971 NE2 HIS 119 10.375 1.894 0.445 1.00 0.00 ATOM 972 O HIS 119 15.231 5.258 2.491 1.00 0.00 ATOM 973 C HIS 119 15.256 4.832 1.339 1.00 0.00 ATOM 974 N THR 120 16.360 4.824 0.605 1.00 0.00 ATOM 975 CA THR 120 17.591 5.309 1.169 1.00 0.00 ATOM 976 CB THR 120 18.710 4.987 0.204 1.00 0.00 ATOM 977 CG2 THR 120 19.972 5.670 0.654 1.00 0.00 ATOM 978 OG1 THR 120 18.893 3.605 0.277 1.00 0.00 ATOM 979 O THR 120 18.071 7.368 2.311 1.00 0.00 ATOM 980 C THR 120 17.563 6.816 1.354 1.00 0.00 ATOM 981 N LYS 121 16.911 7.509 0.481 1.00 0.00 ATOM 982 CA LYS 121 16.862 8.953 0.709 1.00 0.00 ATOM 983 CB LYS 121 16.461 9.637 -0.586 1.00 0.00 ATOM 984 CG LYS 121 17.679 9.741 -1.531 1.00 0.00 ATOM 985 CD LYS 121 17.363 10.358 -2.895 1.00 0.00 ATOM 986 CE LYS 121 16.884 11.797 -2.802 1.00 0.00 ATOM 987 NZ LYS 121 16.966 12.510 -4.085 1.00 0.00 ATOM 988 O LYS 121 16.188 10.496 2.503 1.00 0.00 ATOM 989 C LYS 121 16.048 9.410 1.939 1.00 0.00 ATOM 990 N LEU 122 15.403 8.263 3.304 1.00 0.00 ATOM 991 CA LEU 122 14.308 8.346 4.273 1.00 0.00 ATOM 992 CB LEU 122 13.020 7.727 3.718 1.00 0.00 ATOM 993 CG LEU 122 11.975 8.615 3.010 1.00 0.00 ATOM 994 CD1 LEU 122 12.630 9.744 2.257 1.00 0.00 ATOM 995 CD2 LEU 122 11.146 7.782 2.062 1.00 0.00 ATOM 996 O LEU 122 13.941 7.575 6.532 1.00 0.00 ATOM 997 C LEU 122 14.750 7.722 5.609 1.00 0.00 ATOM 998 N GLY 123 16.020 7.325 5.694 1.00 0.00 ATOM 999 CA GLY 123 16.537 6.790 6.937 1.00 0.00 ATOM 1000 O GLY 123 16.005 4.986 8.420 1.00 0.00 ATOM 1001 C GLY 123 15.978 5.413 7.270 1.00 0.00 ATOM 1002 N PHE 124 15.467 4.711 6.265 1.00 0.00 ATOM 1003 CA PHE 124 14.915 3.401 6.509 1.00 0.00 ATOM 1004 CB PHE 124 14.325 2.919 5.208 1.00 0.00 ATOM 1005 CG PHE 124 12.978 3.566 5.073 1.00 0.00 ATOM 1006 CD1 PHE 124 11.890 3.051 5.761 1.00 0.00 ATOM 1007 CD2 PHE 124 12.832 4.682 4.260 1.00 0.00 ATOM 1008 CE1 PHE 124 10.646 3.662 5.629 1.00 0.00 ATOM 1009 CE2 PHE 124 11.590 5.286 4.135 1.00 0.00 ATOM 1010 CZ PHE 124 10.491 4.780 4.819 1.00 0.00 ATOM 1011 O PHE 124 17.097 2.583 5.885 1.00 0.00 ATOM 1012 C PHE 124 16.014 2.330 6.447 1.00 0.00 ATOM 1013 N ASP 125 15.736 1.170 7.053 1.00 0.00 ATOM 1014 CA ASP 125 16.659 0.040 7.106 1.00 0.00 ATOM 1015 CB ASP 125 17.151 -0.184 8.537 1.00 0.00 ATOM 1016 CG ASP 125 17.982 0.972 9.054 1.00 0.00 ATOM 1017 OD1 ASP 125 19.071 1.219 8.498 1.00 0.00 ATOM 1018 OD2 ASP 125 17.543 1.635 10.019 1.00 0.00 ATOM 1019 O ASP 125 14.771 -1.402 6.772 1.00 0.00 ATOM 1020 C ASP 125 15.979 -1.230 6.631 1.00 0.00 ATOM 1021 N ILE 126 16.770 -2.141 6.107 1.00 0.00 ATOM 1022 CA ILE 126 16.232 -3.403 5.650 1.00 0.00 ATOM 1023 CB ILE 126 17.286 -4.292 5.068 1.00 0.00 ATOM 1024 CG1 ILE 126 17.808 -3.614 3.815 1.00 0.00 ATOM 1025 CG2 ILE 126 16.667 -5.637 4.754 1.00 0.00 ATOM 1026 CD1 ILE 126 19.055 -4.347 3.203 1.00 0.00 ATOM 1027 O ILE 126 16.353 -4.181 7.898 1.00 0.00 ATOM 1028 C ILE 126 15.701 -4.141 6.870 1.00 0.00 ATOM 1029 N GLU 127 14.516 -4.722 6.772 1.00 0.00 ATOM 1030 CA GLU 127 13.952 -5.351 7.945 1.00 0.00 ATOM 1031 CB GLU 127 13.375 -4.102 8.800 1.00 0.00 ATOM 1032 CG GLU 127 14.470 -3.178 9.323 1.00 0.00 ATOM 1033 CD GLU 127 13.969 -1.930 10.014 1.00 0.00 ATOM 1034 OE1 GLU 127 12.741 -1.686 10.002 1.00 0.00 ATOM 1035 OE2 GLU 127 14.816 -1.192 10.566 1.00 0.00 ATOM 1036 O GLU 127 12.947 -7.356 8.685 1.00 0.00 ATOM 1037 C GLU 127 13.298 -6.691 7.721 1.00 0.00 ATOM 1038 N LYS 128 13.097 -7.087 6.466 1.00 0.00 ATOM 1039 CA LYS 128 12.495 -8.374 6.237 1.00 0.00 ATOM 1040 CB LYS 128 11.237 -8.529 6.228 1.00 0.00 ATOM 1041 CG LYS 128 11.180 -9.515 7.359 1.00 0.00 ATOM 1042 CD LYS 128 11.947 -10.758 6.975 1.00 0.00 ATOM 1043 CE LYS 128 11.953 -11.780 8.087 1.00 0.00 ATOM 1044 NZ LYS 128 12.540 -13.054 7.584 1.00 0.00 ATOM 1045 O LYS 128 12.679 -7.811 3.976 1.00 0.00 ATOM 1046 C LYS 128 12.141 -8.521 4.796 1.00 0.00 ATOM 1047 N GLY 129 11.210 -9.439 4.527 1.00 0.00 ATOM 1048 CA GLY 129 10.774 -9.697 3.164 1.00 0.00 ATOM 1049 O GLY 129 9.419 -7.732 3.370 1.00 0.00 ATOM 1050 C GLY 129 9.833 -8.630 2.633 1.00 0.00 ATOM 1051 N THR 130 9.487 -8.737 1.356 1.00 0.00 ATOM 1052 CA THR 130 8.591 -7.789 0.701 1.00 0.00 ATOM 1053 CB THR 130 9.333 -6.979 -0.396 1.00 0.00 ATOM 1054 CG2 THR 130 9.913 -7.903 -1.462 1.00 0.00 ATOM 1055 OG1 THR 130 8.426 -6.059 -1.013 1.00 0.00 ATOM 1056 O THR 130 7.543 -9.715 -0.270 1.00 0.00 ATOM 1057 C THR 130 7.422 -8.542 0.070 1.00 0.00 ATOM 1058 N LYS 131 6.284 -7.875 -0.075 1.00 0.00 ATOM 1059 CA LYS 131 5.120 -8.517 -0.675 1.00 0.00 ATOM 1060 CB LYS 131 3.993 -7.243 -0.721 1.00 0.00 ATOM 1061 CG LYS 131 2.522 -7.457 -0.401 1.00 0.00 ATOM 1062 CD LYS 131 1.728 -6.255 -0.808 1.00 0.00 ATOM 1063 CE LYS 131 0.277 -6.372 -0.425 1.00 0.00 ATOM 1064 NZ LYS 131 -0.413 -5.169 -1.015 1.00 0.00 ATOM 1065 O LYS 131 4.610 -9.707 -2.688 1.00 0.00 ATOM 1066 C LYS 131 5.330 -8.867 -2.145 1.00 0.00 ATOM 1067 N THR 132 6.312 -8.236 -2.792 1.00 0.00 ATOM 1068 CA THR 132 6.584 -8.533 -4.197 1.00 0.00 ATOM 1069 CB THR 132 6.833 -7.255 -5.019 1.00 0.00 ATOM 1070 CG2 THR 132 5.536 -6.477 -5.187 1.00 0.00 ATOM 1071 OG1 THR 132 7.809 -6.439 -4.358 1.00 0.00 ATOM 1072 O THR 132 8.238 -9.647 -5.532 1.00 0.00 ATOM 1073 C THR 132 7.763 -9.483 -4.410 1.00 0.00 ATOM 1074 N VAL 133 8.244 -10.104 -3.338 1.00 0.00 ATOM 1075 CA VAL 133 9.334 -11.064 -3.446 1.00 0.00 ATOM 1076 CB VAL 133 9.742 -11.644 -2.057 1.00 0.00 ATOM 1077 CG1 VAL 133 10.909 -12.615 -2.211 1.00 0.00 ATOM 1078 CG2 VAL 133 10.135 -10.528 -1.093 1.00 0.00 ATOM 1079 O VAL 133 9.515 -12.582 -5.322 1.00 0.00 ATOM 1080 C VAL 133 8.857 -12.225 -4.336 1.00 0.00 ATOM 1081 N ASN 134 7.717 -12.810 -3.984 1.00 0.00 ATOM 1082 CA ASN 134 7.154 -13.935 -4.727 1.00 0.00 ATOM 1083 CB ASN 134 6.665 -15.021 -3.766 1.00 0.00 ATOM 1084 CG ASN 134 7.804 -15.746 -3.079 1.00 0.00 ATOM 1085 ND2 ASN 134 7.962 -15.503 -1.784 1.00 0.00 ATOM 1086 OD1 ASN 134 8.533 -16.517 -3.707 1.00 0.00 ATOM 1087 O ASN 134 5.104 -14.305 -5.930 1.00 0.00 ATOM 1088 C ASN 134 5.973 -13.496 -5.584 1.00 0.00 ATOM 1089 N GLY 135 5.979 -12.198 -5.937 1.00 0.00 ATOM 1090 CA GLY 135 4.865 -11.684 -6.726 1.00 0.00 ATOM 1091 O GLY 135 5.625 -9.534 -6.058 1.00 0.00 ATOM 1092 C GLY 135 4.766 -10.159 -6.654 1.00 0.00 ATOM 1093 N ILE 136 3.897 -9.580 -7.484 1.00 0.00 ATOM 1094 CA ILE 136 3.794 -8.105 -7.403 1.00 0.00 ATOM 1095 CB ILE 136 4.086 -7.434 -8.781 1.00 0.00 ATOM 1096 CG1 ILE 136 5.556 -7.636 -9.156 1.00 0.00 ATOM 1097 CG2 ILE 136 3.791 -5.973 -8.711 1.00 0.00 ATOM 1098 CD1 ILE 136 6.437 -7.490 -8.012 1.00 0.00 ATOM 1099 O ILE 136 1.410 -8.281 -7.506 1.00 0.00 ATOM 1100 C ILE 136 2.380 -7.839 -6.875 1.00 0.00 ATOM 1101 N SER 137 2.282 -7.116 -5.780 1.00 0.00 ATOM 1102 CA SER 137 0.996 -6.774 -5.195 1.00 0.00 ATOM 1103 CB SER 137 0.723 -5.263 -5.649 1.00 0.00 ATOM 1104 OG SER 137 -0.532 -4.861 -5.244 1.00 0.00 ATOM 1105 O SER 137 -1.056 -7.860 -4.611 1.00 0.00 ATOM 1106 C SER 137 0.169 -7.945 -4.672 1.00 0.00 ATOM 1107 N VAL 138 0.841 -9.037 -4.314 1.00 0.00 ATOM 1108 CA VAL 138 0.184 -10.225 -3.754 1.00 0.00 ATOM 1109 CB VAL 138 0.382 -11.458 -4.656 1.00 0.00 ATOM 1110 CG1 VAL 138 -0.401 -12.644 -4.117 1.00 0.00 ATOM 1111 CG2 VAL 138 -0.102 -11.166 -6.071 1.00 0.00 ATOM 1112 O VAL 138 1.703 -11.316 -2.233 1.00 0.00 ATOM 1113 C VAL 138 0.837 -10.448 -2.394 1.00 0.00 ATOM 1114 N PHE 139 0.412 -9.662 -1.401 1.00 0.00 ATOM 1115 CA PHE 139 0.983 -9.777 -0.046 1.00 0.00 ATOM 1116 CB PHE 139 0.420 -8.598 0.815 1.00 0.00 ATOM 1117 CG PHE 139 0.992 -8.547 2.194 1.00 0.00 ATOM 1118 CD1 PHE 139 2.231 -7.960 2.406 1.00 0.00 ATOM 1119 CD2 PHE 139 0.286 -9.116 3.244 1.00 0.00 ATOM 1120 CE1 PHE 139 2.785 -7.936 3.703 1.00 0.00 ATOM 1121 CE2 PHE 139 0.815 -9.102 4.550 1.00 0.00 ATOM 1122 CZ PHE 139 2.063 -8.507 4.751 1.00 0.00 ATOM 1123 O PHE 139 1.538 -11.771 1.198 1.00 0.00 ATOM 1124 C PHE 139 0.680 -11.110 0.590 1.00 0.00 ATOM 1125 N ALA 140 -0.602 -11.491 0.510 1.00 0.00 ATOM 1126 CA ALA 140 -1.043 -12.778 1.041 1.00 0.00 ATOM 1127 CB ALA 140 -2.637 -12.717 1.154 1.00 0.00 ATOM 1128 O ALA 140 -0.334 -15.055 0.806 1.00 0.00 ATOM 1129 C ALA 140 -0.486 -13.964 0.258 1.00 0.00 ATOM 1130 N ASN 141 -0.173 -13.771 -1.012 1.00 0.00 ATOM 1131 CA ASN 141 0.341 -14.852 -1.839 1.00 0.00 ATOM 1132 CB ASN 141 0.303 -14.511 -3.332 1.00 0.00 ATOM 1133 CG ASN 141 -0.953 -15.021 -4.021 1.00 0.00 ATOM 1134 ND2 ASN 141 -2.047 -14.247 -3.971 1.00 0.00 ATOM 1135 OD1 ASN 141 -0.969 -16.120 -4.563 1.00 0.00 ATOM 1136 O ASN 141 2.139 -16.351 -1.457 1.00 0.00 ATOM 1137 C ASN 141 1.768 -15.182 -1.402 1.00 0.00 ATOM 1138 N TYR 142 2.530 -14.205 -0.967 1.00 0.00 ATOM 1139 CA TYR 142 3.891 -14.415 -0.517 1.00 0.00 ATOM 1140 CB TYR 142 4.768 -13.258 -1.001 1.00 0.00 ATOM 1141 CG TYR 142 6.124 -13.263 -0.296 1.00 0.00 ATOM 1142 CD1 TYR 142 7.078 -14.225 -0.585 1.00 0.00 ATOM 1143 CD2 TYR 142 6.413 -12.278 0.642 1.00 0.00 ATOM 1144 CE1 TYR 142 8.289 -14.264 0.078 1.00 0.00 ATOM 1145 CE2 TYR 142 7.623 -12.334 1.300 1.00 0.00 ATOM 1146 CZ TYR 142 8.566 -13.284 1.003 1.00 0.00 ATOM 1147 OH TYR 142 9.775 -13.314 1.676 1.00 0.00 ATOM 1148 O TYR 142 4.463 -15.517 1.542 1.00 0.00 ATOM 1149 C TYR 142 3.927 -14.546 1.004 1.00 0.00 ATOM 1150 N ASP 143 3.321 -13.592 1.720 1.00 0.00 ATOM 1151 CA ASP 143 3.405 -13.639 3.189 1.00 0.00 ATOM 1152 CB ASP 143 4.487 -12.625 3.605 1.00 0.00 ATOM 1153 CG ASP 143 4.733 -12.666 5.102 1.00 0.00 ATOM 1154 OD1 ASP 143 4.191 -13.549 5.800 1.00 0.00 ATOM 1155 OD2 ASP 143 5.535 -11.813 5.554 1.00 0.00 ATOM 1156 O ASP 143 1.682 -12.121 3.784 1.00 0.00 ATOM 1157 C ASP 143 2.091 -13.285 3.841 1.00 0.00 ATOM 1158 N GLY 144 1.425 -14.279 4.394 1.00 0.00 ATOM 1159 CA GLY 144 0.099 -14.025 5.021 1.00 0.00 ATOM 1160 O GLY 144 -0.738 -14.798 2.888 1.00 0.00 ATOM 1161 C GLY 144 -0.981 -14.386 4.013 1.00 0.00 ATOM 1162 N PRO 145 -2.223 -14.234 4.460 1.00 0.00 ATOM 1163 CA PRO 145 -3.393 -14.557 3.675 1.00 0.00 ATOM 1164 CB PRO 145 -4.496 -14.562 4.689 1.00 0.00 ATOM 1165 CG PRO 145 -4.064 -13.476 5.653 1.00 0.00 ATOM 1166 CD PRO 145 -2.592 -13.840 5.816 1.00 0.00 ATOM 1167 O PRO 145 -4.387 -14.081 1.629 1.00 0.00 ATOM 1168 C PRO 145 -3.660 -13.644 2.512 1.00 0.00 ATOM 1169 N GLY 146 -3.115 -12.433 2.478 1.00 0.00 ATOM 1170 CA GLY 146 -3.397 -11.539 1.365 1.00 0.00 ATOM 1171 O GLY 146 -5.344 -10.909 2.596 1.00 0.00 ATOM 1172 C GLY 146 -4.795 -10.954 1.488 1.00 0.00 ATOM 1173 N GLN 147 -5.409 -10.503 0.388 1.00 0.00 ATOM 1174 CA GLN 147 -6.736 -9.895 0.449 1.00 0.00 ATOM 1175 CB GLN 147 -6.993 -8.958 -0.767 1.00 0.00 ATOM 1176 CG GLN 147 -6.704 -9.568 -2.136 1.00 0.00 ATOM 1177 CD GLN 147 -7.652 -9.231 -3.292 1.00 0.00 ATOM 1178 OE1 GLN 147 -7.270 -9.278 -4.479 1.00 0.00 ATOM 1179 NE2 GLN 147 -8.925 -8.931 -2.994 1.00 0.00 ATOM 1180 O GLN 147 -7.712 -12.048 -0.037 1.00 0.00 ATOM 1181 C GLN 147 -7.844 -10.935 0.500 1.00 0.00 ATOM 1182 N ASP 148 -8.957 -10.484 1.100 1.00 0.00 ATOM 1183 CA ASP 148 -10.196 -11.242 1.260 1.00 0.00 ATOM 1184 CB ASP 148 -11.235 -10.370 1.979 1.00 0.00 ATOM 1185 CG ASP 148 -11.828 -9.193 1.152 1.00 0.00 ATOM 1186 OD1 ASP 148 -11.070 -8.340 0.641 1.00 0.00 ATOM 1187 OD2 ASP 148 -13.066 -9.165 0.989 1.00 0.00 ATOM 1188 O ASP 148 -10.858 -10.770 -1.028 1.00 0.00 ATOM 1189 C ASP 148 -10.712 -11.619 -0.132 1.00 0.00 ATOM 1190 N ARG 149 -10.939 -12.852 -0.464 1.00 0.00 ATOM 1191 CA ARG 149 -11.442 -13.201 -1.786 1.00 0.00 ATOM 1192 CB ARG 149 -13.117 -13.050 -1.566 1.00 0.00 ATOM 1193 CG ARG 149 -13.616 -12.917 -0.144 1.00 0.00 ATOM 1194 CD ARG 149 -13.933 -14.234 0.516 1.00 0.00 ATOM 1195 NE ARG 149 -15.158 -14.861 0.001 1.00 0.00 ATOM 1196 CZ ARG 149 -16.310 -14.812 0.669 1.00 0.00 ATOM 1197 NH1 ARG 149 -16.389 -14.174 1.842 1.00 0.00 ATOM 1198 NH2 ARG 149 -17.394 -15.393 0.169 1.00 0.00 ATOM 1199 O ARG 149 -10.890 -12.209 -3.924 1.00 0.00 ATOM 1200 C ARG 149 -10.467 -12.749 -2.883 1.00 0.00 ATOM 1201 N VAL 150 -9.166 -12.977 -2.607 1.00 0.00 ATOM 1202 CA VAL 150 -8.115 -12.617 -3.579 1.00 0.00 ATOM 1203 CB VAL 150 -6.760 -13.434 -2.996 1.00 0.00 ATOM 1204 CG1 VAL 150 -5.405 -12.907 -3.429 1.00 0.00 ATOM 1205 CG2 VAL 150 -6.829 -13.711 -1.505 1.00 0.00 ATOM 1206 O VAL 150 -8.217 -13.086 -5.956 1.00 0.00 ATOM 1207 C VAL 150 -8.262 -13.543 -4.802 1.00 0.00 ATOM 1208 N LEU 151 -8.475 -14.833 -4.587 1.00 0.00 ATOM 1209 CA LEU 151 -8.663 -15.760 -5.695 1.00 0.00 ATOM 1210 CB LEU 151 -8.771 -17.222 -5.209 1.00 0.00 ATOM 1211 CG LEU 151 -9.037 -18.270 -6.305 1.00 0.00 ATOM 1212 CD1 LEU 151 -7.920 -18.291 -7.340 1.00 0.00 ATOM 1213 CD2 LEU 151 -9.257 -19.658 -5.707 1.00 0.00 ATOM 1214 O LEU 151 -9.927 -15.123 -7.671 1.00 0.00 ATOM 1215 C LEU 151 -9.947 -15.420 -6.470 1.00 0.00 ATOM 1216 N PHE 152 -11.074 -15.421 -5.748 1.00 0.00 ATOM 1217 CA PHE 152 -12.375 -15.144 -6.346 1.00 0.00 ATOM 1218 CB PHE 152 -13.486 -15.206 -5.279 1.00 0.00 ATOM 1219 CG PHE 152 -14.886 -14.938 -5.818 1.00 0.00 ATOM 1220 CD1 PHE 152 -15.582 -15.934 -6.487 1.00 0.00 ATOM 1221 CD2 PHE 152 -15.483 -13.692 -5.686 1.00 0.00 ATOM 1222 CE1 PHE 152 -16.855 -15.703 -7.015 1.00 0.00 ATOM 1223 CE2 PHE 152 -16.761 -13.441 -6.212 1.00 0.00 ATOM 1224 CZ PHE 152 -17.446 -14.458 -6.880 1.00 0.00 ATOM 1225 O PHE 152 -12.826 -13.576 -8.116 1.00 0.00 ATOM 1226 C PHE 152 -12.371 -13.756 -6.989 1.00 0.00 ATOM 1227 N VAL 153 -11.861 -12.768 -6.259 1.00 0.00 ATOM 1228 CA VAL 153 -11.829 -11.412 -6.785 1.00 0.00 ATOM 1229 CB VAL 153 -11.562 -10.470 -5.514 1.00 0.00 ATOM 1230 CG1 VAL 153 -11.215 -9.033 -5.893 1.00 0.00 ATOM 1231 CG2 VAL 153 -12.753 -10.516 -4.557 1.00 0.00 ATOM 1232 O VAL 153 -11.190 -10.432 -8.858 1.00 0.00 ATOM 1233 C VAL 153 -10.882 -11.201 -7.958 1.00 0.00 ATOM 1234 N LYS 154 -9.729 -11.860 -7.989 1.00 0.00 ATOM 1235 CA LYS 154 -8.808 -11.731 -9.120 1.00 0.00 ATOM 1236 CB LYS 154 -7.462 -12.444 -8.760 1.00 0.00 ATOM 1237 CG LYS 154 -6.558 -11.516 -7.978 1.00 0.00 ATOM 1238 CD LYS 154 -5.564 -12.252 -7.089 1.00 0.00 ATOM 1239 CE LYS 154 -4.817 -11.210 -6.238 1.00 0.00 ATOM 1240 NZ LYS 154 -4.888 -11.578 -4.796 1.00 0.00 ATOM 1241 O LYS 154 -9.180 -11.696 -11.488 1.00 0.00 ATOM 1242 C LYS 154 -9.434 -12.243 -10.409 1.00 0.00 ATOM 1243 N ASN 155 -10.268 -13.284 -10.341 1.00 0.00 ATOM 1244 CA ASN 155 -10.938 -13.799 -11.532 1.00 0.00 ATOM 1245 CB ASN 155 -10.714 -15.296 -11.658 1.00 0.00 ATOM 1246 CG ASN 155 -9.268 -15.634 -11.944 1.00 0.00 ATOM 1247 ND2 ASN 155 -8.724 -16.593 -11.201 1.00 0.00 ATOM 1248 OD1 ASN 155 -8.640 -15.028 -12.811 1.00 0.00 ATOM 1249 O ASN 155 -13.164 -14.087 -12.418 1.00 0.00 ATOM 1250 C ASN 155 -12.431 -13.450 -11.662 1.00 0.00 ATOM 1251 N ILE 156 -12.861 -12.415 -10.955 1.00 0.00 ATOM 1252 CA ILE 156 -14.227 -11.919 -11.096 1.00 0.00 ATOM 1253 CB ILE 156 -14.500 -10.782 -10.078 1.00 0.00 ATOM 1254 CG1 ILE 156 -14.425 -11.343 -8.660 1.00 0.00 ATOM 1255 CG2 ILE 156 -15.869 -10.160 -10.326 1.00 0.00 ATOM 1256 CD1 ILE 156 -14.511 -10.301 -7.581 1.00 0.00 ATOM 1257 O ILE 156 -13.689 -10.506 -12.953 1.00 0.00 ATOM 1258 C ILE 156 -14.455 -11.400 -12.518 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:46:09 2002 Date: Thu, 5 Sep 2002 15:46:03 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Sep 5 15:17:21 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_404982_42096 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_5 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 5 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 5 PARENT N/A ATOM 1 N MET 1 -2.651 16.789 -0.020 1.00 0.00 ATOM 2 CA MET 1 -1.740 17.427 0.854 1.00 0.00 ATOM 3 CB MET 1 -1.775 18.920 0.922 1.00 0.00 ATOM 4 CG MET 1 -1.417 19.510 -0.420 1.00 0.00 ATOM 5 SD MET 1 0.412 19.668 -0.413 1.00 0.00 ATOM 6 CE MET 1 0.797 19.271 -2.132 1.00 0.00 ATOM 7 O MET 1 -1.078 17.384 3.128 1.00 0.00 ATOM 8 C MET 1 -1.738 16.818 2.242 1.00 0.00 ATOM 9 N ASP 2 -2.441 15.681 2.422 1.00 0.00 ATOM 10 CA ASP 2 -2.510 15.050 3.712 1.00 0.00 ATOM 11 CB ASP 2 -3.682 15.609 4.522 1.00 0.00 ATOM 12 CG ASP 2 -5.023 15.315 3.881 1.00 0.00 ATOM 13 OD1 ASP 2 -6.008 16.004 4.220 1.00 0.00 ATOM 14 OD2 ASP 2 -5.092 14.393 3.041 1.00 0.00 ATOM 15 O ASP 2 -2.985 13.158 2.376 1.00 0.00 ATOM 16 C ASP 2 -2.700 13.566 3.479 1.00 0.00 ATOM 17 N ILE 3 -2.520 12.755 4.502 1.00 0.00 ATOM 18 CA ILE 3 -2.629 11.303 4.408 1.00 0.00 ATOM 19 CB ILE 3 -1.291 10.593 4.713 1.00 0.00 ATOM 20 CG1 ILE 3 -0.215 10.978 3.691 1.00 0.00 ATOM 21 CG2 ILE 3 -1.470 9.094 4.801 1.00 0.00 ATOM 22 CD1 ILE 3 1.179 10.480 3.962 1.00 0.00 ATOM 23 O ILE 3 -3.871 11.363 6.462 1.00 0.00 ATOM 24 C ILE 3 -3.753 10.854 5.341 1.00 0.00 ATOM 25 N ARG 4 -4.597 9.960 4.828 1.00 0.00 ATOM 26 CA ARG 4 -5.774 9.463 5.514 1.00 0.00 ATOM 27 CB ARG 4 -6.952 9.855 5.555 1.00 0.00 ATOM 28 CG ARG 4 -7.966 8.815 5.995 1.00 0.00 ATOM 29 CD ARG 4 -9.338 9.444 6.143 1.00 0.00 ATOM 30 NE ARG 4 -10.147 8.814 7.183 1.00 0.00 ATOM 31 CZ ARG 4 -11.055 9.455 7.916 1.00 0.00 ATOM 32 NH1 ARG 4 -11.272 10.751 7.724 1.00 0.00 ATOM 33 NH2 ARG 4 -11.743 8.801 8.847 1.00 0.00 ATOM 34 O ARG 4 -5.251 7.397 4.390 1.00 0.00 ATOM 35 C ARG 4 -5.870 7.956 5.331 1.00 0.00 ATOM 36 N THR 5 -6.630 7.243 6.144 1.00 0.00 ATOM 37 CA THR 5 -6.930 5.844 5.860 1.00 0.00 ATOM 38 CB THR 5 -7.676 5.178 7.033 1.00 0.00 ATOM 39 CG2 THR 5 -6.824 5.208 8.292 1.00 0.00 ATOM 40 OG1 THR 5 -8.900 5.880 7.283 1.00 0.00 ATOM 41 O THR 5 -8.567 6.684 4.298 1.00 0.00 ATOM 42 C THR 5 -7.810 5.764 4.614 1.00 0.00 ATOM 43 N ILE 6 -7.723 4.638 3.921 1.00 0.00 ATOM 44 CA ILE 6 -8.505 4.422 2.736 1.00 0.00 ATOM 45 CB ILE 6 -8.091 3.125 2.014 1.00 0.00 ATOM 46 CG1 ILE 6 -8.680 3.089 0.602 1.00 0.00 ATOM 47 CG2 ILE 6 -8.591 1.908 2.779 1.00 0.00 ATOM 48 CD1 ILE 6 -8.088 2.011 -0.279 1.00 0.00 ATOM 49 O ILE 6 -10.332 3.909 4.201 1.00 0.00 ATOM 50 C ILE 6 -9.982 4.314 3.106 1.00 0.00 ATOM 51 N THR 7 -10.861 4.670 2.182 1.00 0.00 ATOM 52 CA THR 7 -12.288 4.570 2.466 1.00 0.00 ATOM 53 CB THR 7 -12.929 5.961 2.633 1.00 0.00 ATOM 54 CG2 THR 7 -12.239 6.736 3.742 1.00 0.00 ATOM 55 OG1 THR 7 -12.809 6.695 1.408 1.00 0.00 ATOM 56 O THR 7 -12.413 3.745 0.226 1.00 0.00 ATOM 57 C THR 7 -12.971 3.856 1.321 1.00 0.00 ATOM 58 N SER 8 -14.186 3.386 1.584 1.00 0.00 ATOM 59 CA SER 8 -15.000 2.683 0.605 1.00 0.00 ATOM 60 CB SER 8 -16.410 2.449 1.151 1.00 0.00 ATOM 61 OG SER 8 -16.388 1.575 2.264 1.00 0.00 ATOM 62 O SER 8 -15.141 2.834 -1.748 1.00 0.00 ATOM 63 C SER 8 -15.145 3.434 -0.689 1.00 0.00 ATOM 64 N SER 9 -15.289 4.751 -0.604 1.00 0.00 ATOM 65 CA SER 9 -15.413 5.559 -1.811 1.00 0.00 ATOM 66 CB SER 9 -15.852 6.983 -1.462 1.00 0.00 ATOM 67 OG SER 9 -14.845 7.662 -0.733 1.00 0.00 ATOM 68 O SER 9 -14.189 6.237 -3.712 1.00 0.00 ATOM 69 C SER 9 -14.137 5.697 -2.615 1.00 0.00 ATOM 70 N ASP 10 -12.991 5.209 -2.111 1.00 0.00 ATOM 71 CA ASP 10 -11.720 5.334 -2.876 1.00 0.00 ATOM 72 CB ASP 10 -10.516 5.179 -1.944 1.00 0.00 ATOM 73 CG ASP 10 -10.359 6.353 -0.998 1.00 0.00 ATOM 74 OD1 ASP 10 -9.205 6.680 -0.646 1.00 0.00 ATOM 75 OD2 ASP 10 -11.386 6.946 -0.609 1.00 0.00 ATOM 76 O ASP 10 -10.603 4.298 -4.727 1.00 0.00 ATOM 77 C ASP 10 -11.568 4.265 -3.995 1.00 0.00 ATOM 78 N TYR 11 -12.512 3.341 -4.147 1.00 0.00 ATOM 79 CA TYR 11 -12.326 2.285 -5.153 1.00 0.00 ATOM 80 CB TYR 11 -13.684 1.646 -5.484 1.00 0.00 ATOM 81 CG TYR 11 -13.607 0.615 -6.581 1.00 0.00 ATOM 82 CD1 TYR 11 -13.256 -0.700 -6.298 1.00 0.00 ATOM 83 CD2 TYR 11 -13.824 0.970 -7.906 1.00 0.00 ATOM 84 CE1 TYR 11 -13.115 -1.630 -7.305 1.00 0.00 ATOM 85 CE2 TYR 11 -13.681 0.046 -8.917 1.00 0.00 ATOM 86 CZ TYR 11 -13.326 -1.250 -8.611 1.00 0.00 ATOM 87 OH TYR 11 -13.162 -2.175 -9.620 1.00 0.00 ATOM 88 O TYR 11 -10.756 2.158 -6.926 1.00 0.00 ATOM 89 C TYR 11 -11.772 2.658 -6.529 1.00 0.00 ATOM 90 N GLU 12 -12.440 3.526 -7.262 1.00 0.00 ATOM 91 CA GLU 12 -11.975 3.937 -8.580 1.00 0.00 ATOM 92 CB GLU 12 -12.832 5.086 -9.118 1.00 0.00 ATOM 93 CG GLU 12 -12.423 5.573 -10.498 1.00 0.00 ATOM 94 CD GLU 12 -13.326 6.674 -11.018 1.00 0.00 ATOM 95 OE1 GLU 12 -14.269 7.059 -10.295 1.00 0.00 ATOM 96 OE2 GLU 12 -13.089 7.153 -12.145 1.00 0.00 ATOM 97 O GLU 12 -9.711 3.853 -9.277 1.00 0.00 ATOM 98 C GLU 12 -10.551 4.415 -8.582 1.00 0.00 ATOM 99 N MET 13 -10.285 5.464 -7.810 1.00 0.00 ATOM 100 CA MET 13 -8.959 6.058 -7.788 1.00 0.00 ATOM 101 CB MET 13 -8.931 7.269 -6.853 1.00 0.00 ATOM 102 CG MET 13 -9.724 8.462 -7.360 1.00 0.00 ATOM 103 SD MET 13 -9.094 9.102 -8.924 1.00 0.00 ATOM 104 CE MET 13 -7.516 9.770 -8.408 1.00 0.00 ATOM 105 O MET 13 -6.717 5.300 -7.868 1.00 0.00 ATOM 106 C MET 13 -7.803 5.200 -7.327 1.00 0.00 ATOM 107 N VAL 14 -8.064 4.363 -6.338 1.00 0.00 ATOM 108 CA VAL 14 -7.107 3.446 -5.762 1.00 0.00 ATOM 109 CB VAL 14 -7.644 2.807 -4.468 1.00 0.00 ATOM 110 CG1 VAL 14 -6.704 1.715 -3.982 1.00 0.00 ATOM 111 CG2 VAL 14 -7.771 3.855 -3.371 1.00 0.00 ATOM 112 O VAL 14 -5.664 2.019 -6.982 1.00 0.00 ATOM 113 C VAL 14 -6.814 2.343 -6.758 1.00 0.00 ATOM 114 N THR 15 -7.834 1.762 -7.372 1.00 0.00 ATOM 115 CA THR 15 -7.543 0.718 -8.355 1.00 0.00 ATOM 116 CB THR 15 -8.835 0.113 -8.937 1.00 0.00 ATOM 117 CG2 THR 15 -8.507 -0.935 -9.986 1.00 0.00 ATOM 118 OG1 THR 15 -9.593 -0.502 -7.886 1.00 0.00 ATOM 119 O THR 15 -5.797 0.738 -10.037 1.00 0.00 ATOM 120 C THR 15 -6.735 1.345 -9.476 1.00 0.00 ATOM 121 N SER 16 -7.072 2.582 -9.798 1.00 0.00 ATOM 122 CA SER 16 -6.356 3.258 -10.845 1.00 0.00 ATOM 123 CB SER 16 -6.981 4.625 -11.128 1.00 0.00 ATOM 124 OG SER 16 -8.290 4.488 -11.654 1.00 0.00 ATOM 125 O SER 16 -4.000 3.275 -11.315 1.00 0.00 ATOM 126 C SER 16 -4.877 3.489 -10.475 1.00 0.00 ATOM 127 N VAL 17 -4.559 3.905 -9.248 1.00 0.00 ATOM 128 CA VAL 17 -3.139 4.121 -8.973 1.00 0.00 ATOM 129 CB VAL 17 -2.933 5.015 -7.736 1.00 0.00 ATOM 130 CG1 VAL 17 -1.458 5.095 -7.376 1.00 0.00 ATOM 131 CG2 VAL 17 -3.440 6.424 -8.006 1.00 0.00 ATOM 132 O VAL 17 -1.167 2.756 -8.943 1.00 0.00 ATOM 133 C VAL 17 -2.370 2.814 -8.699 1.00 0.00 ATOM 134 N LEU 18 -3.081 1.760 -8.271 1.00 0.00 ATOM 135 CA LEU 18 -2.476 0.456 -8.002 1.00 0.00 ATOM 136 CB LEU 18 -3.446 -0.234 -6.907 1.00 0.00 ATOM 137 CG LEU 18 -3.134 -1.630 -6.331 1.00 0.00 ATOM 138 CD1 LEU 18 -3.500 -2.734 -7.334 1.00 0.00 ATOM 139 CD2 LEU 18 -1.682 -1.740 -5.927 1.00 0.00 ATOM 140 O LEU 18 -1.233 -1.108 -9.301 1.00 0.00 ATOM 141 C LEU 18 -2.095 -0.226 -9.299 1.00 0.00 ATOM 142 N ASN 19 -2.739 0.187 -10.394 1.00 0.00 ATOM 143 CA ASN 19 -2.459 -0.397 -11.707 1.00 0.00 ATOM 144 CB ASN 19 -3.312 0.273 -12.785 1.00 0.00 ATOM 145 CG ASN 19 -3.206 -0.420 -14.129 1.00 0.00 ATOM 146 ND2 ASN 19 -2.722 0.304 -15.130 1.00 0.00 ATOM 147 OD1 ASN 19 -3.555 -1.594 -14.260 1.00 0.00 ATOM 148 O ASN 19 -0.404 -0.986 -12.794 1.00 0.00 ATOM 149 C ASN 19 -0.991 -0.207 -12.062 1.00 0.00 ATOM 150 N GLU 20 -0.423 0.859 -11.554 1.00 0.00 ATOM 151 CA GLU 20 0.971 1.219 -11.784 1.00 0.00 ATOM 152 CB GLU 20 1.275 2.638 -11.332 1.00 0.00 ATOM 153 CG GLU 20 2.701 3.119 -11.649 1.00 0.00 ATOM 154 CD GLU 20 3.092 2.991 -13.128 1.00 0.00 ATOM 155 OE1 GLU 20 2.211 3.063 -14.011 1.00 0.00 ATOM 156 OE2 GLU 20 4.302 2.829 -13.411 1.00 0.00 ATOM 157 O GLU 20 2.989 -0.092 -11.618 1.00 0.00 ATOM 158 C GLU 20 1.869 0.119 -11.197 1.00 0.00 ATOM 159 N TRP 21 1.352 -0.589 -10.214 1.00 0.00 ATOM 160 CA TRP 21 2.104 -1.628 -9.562 1.00 0.00 ATOM 161 CB TRP 21 1.137 -2.290 -8.411 1.00 0.00 ATOM 162 CG TRP 21 1.722 -3.362 -7.553 1.00 0.00 ATOM 163 CD1 TRP 21 1.423 -4.701 -7.594 1.00 0.00 ATOM 164 CD2 TRP 21 2.669 -3.195 -6.491 1.00 0.00 ATOM 165 CE2 TRP 21 2.894 -4.475 -5.929 1.00 0.00 ATOM 166 CE3 TRP 21 3.348 -2.087 -5.958 1.00 0.00 ATOM 167 NE1 TRP 21 2.124 -5.373 -6.625 1.00 0.00 ATOM 168 CZ2 TRP 21 3.769 -4.681 -4.855 1.00 0.00 ATOM 169 CZ3 TRP 21 4.222 -2.292 -4.885 1.00 0.00 ATOM 170 CH2 TRP 21 4.422 -3.579 -4.345 1.00 0.00 ATOM 171 O TRP 21 2.828 -3.645 -10.606 1.00 0.00 ATOM 172 C TRP 21 1.886 -2.944 -10.293 1.00 0.00 ATOM 173 N TRP 22 0.645 -3.280 -10.592 1.00 0.00 ATOM 174 CA TRP 22 0.390 -4.544 -11.233 1.00 0.00 ATOM 175 CB TRP 22 0.613 -5.696 -10.253 1.00 0.00 ATOM 176 CG TRP 22 0.548 -7.049 -10.890 1.00 0.00 ATOM 177 CD1 TRP 22 -0.479 -7.947 -10.806 1.00 0.00 ATOM 178 CD2 TRP 22 1.548 -7.662 -11.713 1.00 0.00 ATOM 179 CE2 TRP 22 1.063 -8.928 -12.091 1.00 0.00 ATOM 180 CE3 TRP 22 2.811 -7.263 -12.164 1.00 0.00 ATOM 181 NE1 TRP 22 -0.180 -9.079 -11.526 1.00 0.00 ATOM 182 CZ2 TRP 22 1.793 -9.799 -12.899 1.00 0.00 ATOM 183 CZ3 TRP 22 3.531 -8.128 -12.966 1.00 0.00 ATOM 184 CH2 TRP 22 3.024 -9.382 -13.327 1.00 0.00 ATOM 185 O TRP 22 -1.639 -3.587 -12.010 1.00 0.00 ATOM 186 C TRP 22 -1.036 -4.614 -11.731 1.00 0.00 ATOM 187 N GLY 23 -1.566 -5.833 -11.836 1.00 0.00 ATOM 188 CA GLY 23 -2.927 -6.063 -12.287 1.00 0.00 ATOM 189 O GLY 23 -3.698 -6.717 -10.093 1.00 0.00 ATOM 190 C GLY 23 -3.885 -6.025 -11.100 1.00 0.00 ATOM 191 N GLY 24 -4.922 -5.201 -11.221 1.00 0.00 ATOM 192 CA GLY 24 -5.883 -5.083 -10.128 1.00 0.00 ATOM 193 O GLY 24 -7.751 -6.439 -9.482 1.00 0.00 ATOM 194 C GLY 24 -7.163 -5.861 -10.401 1.00 0.00 ATOM 195 N ARG 25 -7.598 -5.884 -11.656 1.00 0.00 ATOM 196 CA ARG 25 -8.792 -6.629 -11.993 1.00 0.00 ATOM 197 CB ARG 25 -9.081 -7.829 -11.559 1.00 0.00 ATOM 198 CG ARG 25 -10.062 -8.517 -12.431 1.00 0.00 ATOM 199 CD ARG 25 -10.408 -9.911 -11.964 1.00 0.00 ATOM 200 NE ARG 25 -9.241 -10.773 -11.740 1.00 0.00 ATOM 201 CZ ARG 25 -8.642 -11.473 -12.692 1.00 0.00 ATOM 202 NH1 ARG 25 -9.059 -11.400 -13.958 1.00 0.00 ATOM 203 NH2 ARG 25 -7.579 -12.214 -12.396 1.00 0.00 ATOM 204 O ARG 25 -10.256 -4.810 -11.327 1.00 0.00 ATOM 205 C ARG 25 -10.138 -5.990 -11.672 1.00 0.00 ATOM 206 N GLN 26 -11.178 -6.799 -11.816 1.00 0.00 ATOM 207 CA GLN 26 -12.548 -6.368 -11.562 1.00 0.00 ATOM 208 CB GLN 26 -13.539 -7.281 -12.288 1.00 0.00 ATOM 209 CG GLN 26 -14.990 -6.855 -12.147 1.00 0.00 ATOM 210 CD GLN 26 -15.938 -7.743 -12.930 1.00 0.00 ATOM 211 OE1 GLN 26 -15.512 -8.698 -13.580 1.00 0.00 ATOM 212 NE2 GLN 26 -17.227 -7.428 -12.875 1.00 0.00 ATOM 213 O GLN 26 -12.549 -7.435 -9.421 1.00 0.00 ATOM 214 C GLN 26 -12.825 -6.425 -10.069 1.00 0.00 ATOM 215 N LEU 27 -13.359 -5.355 -9.500 1.00 0.00 ATOM 216 CA LEU 27 -13.687 -5.318 -8.088 1.00 0.00 ATOM 217 CB LEU 27 -12.789 -4.303 -7.358 1.00 0.00 ATOM 218 CG LEU 27 -11.317 -4.634 -7.052 1.00 0.00 ATOM 219 CD1 LEU 27 -10.556 -4.908 -8.315 1.00 0.00 ATOM 220 CD2 LEU 27 -10.666 -3.468 -6.311 1.00 0.00 ATOM 221 O LEU 27 -15.685 -4.329 -8.961 1.00 0.00 ATOM 222 C LEU 27 -15.130 -4.853 -7.997 1.00 0.00 ATOM 223 N LYS 28 -15.740 -5.064 -6.850 1.00 0.00 ATOM 224 CA LYS 28 -17.124 -4.633 -6.645 1.00 0.00 ATOM 225 CB LYS 28 -18.064 -5.840 -6.625 1.00 0.00 ATOM 226 CG LYS 28 -18.123 -6.605 -7.936 1.00 0.00 ATOM 227 CD LYS 28 -19.083 -7.779 -7.849 1.00 0.00 ATOM 228 CE LYS 28 -19.141 -8.543 -9.161 1.00 0.00 ATOM 229 NZ LYS 28 -20.069 -9.705 -9.087 1.00 0.00 ATOM 230 O LYS 28 -16.355 -4.064 -4.401 1.00 0.00 ATOM 231 C LYS 28 -17.223 -3.886 -5.295 1.00 0.00 ATOM 232 N GLU 29 -18.273 -3.073 -5.209 1.00 0.00 ATOM 233 CA GLU 29 -18.585 -2.355 -3.972 1.00 0.00 ATOM 234 CB GLU 29 -20.018 -1.815 -4.011 1.00 0.00 ATOM 235 CG GLU 29 -20.236 -0.705 -5.024 1.00 0.00 ATOM 236 CD GLU 29 -21.677 -0.234 -5.073 1.00 0.00 ATOM 237 OE1 GLU 29 -22.513 -0.812 -4.348 1.00 0.00 ATOM 238 OE2 GLU 29 -21.968 0.712 -5.834 1.00 0.00 ATOM 239 O GLU 29 -18.128 -2.771 -1.648 1.00 0.00 ATOM 240 C GLU 29 -18.465 -3.239 -2.739 1.00 0.00 ATOM 241 N LYS 30 -18.742 -4.520 -2.894 1.00 0.00 ATOM 242 CA LYS 30 -18.666 -5.416 -1.740 1.00 0.00 ATOM 243 CB LYS 30 -19.360 -6.743 -2.046 1.00 0.00 ATOM 244 CG LYS 30 -19.376 -7.720 -0.880 1.00 0.00 ATOM 245 CD LYS 30 -20.128 -8.991 -1.234 1.00 0.00 ATOM 246 CE LYS 30 -20.130 -9.973 -0.074 1.00 0.00 ATOM 247 NZ LYS 30 -20.873 -11.220 -0.403 1.00 0.00 ATOM 248 O LYS 30 -16.866 -5.681 -0.188 1.00 0.00 ATOM 249 C LYS 30 -17.232 -5.724 -1.356 1.00 0.00 ATOM 250 N LEU 31 -16.433 -6.061 -2.351 1.00 0.00 ATOM 251 CA LEU 31 -15.006 -6.370 -2.082 1.00 0.00 ATOM 252 CB LEU 31 -14.398 -7.156 -3.221 1.00 0.00 ATOM 253 CG LEU 31 -14.532 -8.703 -3.129 1.00 0.00 ATOM 254 CD1 LEU 31 -15.981 -9.141 -3.286 1.00 0.00 ATOM 255 CD2 LEU 31 -13.561 -9.375 -4.073 1.00 0.00 ATOM 256 O LEU 31 -13.639 -5.118 -0.649 1.00 0.00 ATOM 257 C LEU 31 -14.249 -5.109 -1.719 1.00 0.00 ATOM 258 N PRO 32 -14.227 -4.039 -2.497 1.00 0.00 ATOM 259 CA PRO 32 -13.534 -2.825 -2.063 1.00 0.00 ATOM 260 CB PRO 32 -14.006 -1.788 -3.098 1.00 0.00 ATOM 261 CG PRO 32 -14.345 -2.595 -4.310 1.00 0.00 ATOM 262 CD PRO 32 -14.960 -3.860 -3.768 1.00 0.00 ATOM 263 O PRO 32 -13.169 -1.882 0.081 1.00 0.00 ATOM 264 C PRO 32 -13.990 -2.320 -0.710 1.00 0.00 ATOM 265 N ARG 33 -15.290 -2.325 -0.406 1.00 0.00 ATOM 266 CA ARG 33 -15.767 -1.874 0.905 1.00 0.00 ATOM 267 CB ARG 33 -17.294 -1.920 0.965 1.00 0.00 ATOM 268 CG ARG 33 -17.983 -0.870 0.110 1.00 0.00 ATOM 269 CD ARG 33 -19.495 -0.987 0.201 1.00 0.00 ATOM 270 NE ARG 33 -20.171 0.005 -0.631 1.00 0.00 ATOM 271 CZ ARG 33 -21.488 0.061 -0.805 1.00 0.00 ATOM 272 NH1 ARG 33 -22.015 0.999 -1.579 1.00 0.00 ATOM 273 NH2 ARG 33 -22.275 -0.821 -0.204 1.00 0.00 ATOM 274 O ARG 33 -14.924 -2.316 3.121 1.00 0.00 ATOM 275 C ARG 33 -15.210 -2.772 2.013 1.00 0.00 ATOM 276 N LEU 34 -15.080 -4.058 1.721 1.00 0.00 ATOM 277 CA LEU 34 -14.526 -4.985 2.696 1.00 0.00 ATOM 278 CB LEU 34 -14.723 -6.428 2.233 1.00 0.00 ATOM 279 CG LEU 34 -16.160 -6.959 2.254 1.00 0.00 ATOM 280 CD1 LEU 34 -16.227 -8.354 1.652 1.00 0.00 ATOM 281 CD2 LEU 34 -16.685 -7.031 3.678 1.00 0.00 ATOM 282 O LEU 34 -12.494 -4.558 3.876 1.00 0.00 ATOM 283 C LEU 34 -13.047 -4.635 2.788 1.00 0.00 ATOM 284 N PHE 35 -12.394 -4.428 1.651 1.00 0.00 ATOM 285 CA PHE 35 -10.984 -4.060 1.620 1.00 0.00 ATOM 286 CB PHE 35 -10.515 -4.007 0.160 1.00 0.00 ATOM 287 CG PHE 35 -9.032 -3.822 -0.014 1.00 0.00 ATOM 288 CD1 PHE 35 -8.123 -4.493 0.803 1.00 0.00 ATOM 289 CD2 PHE 35 -8.543 -3.066 -1.077 1.00 0.00 ATOM 290 CE1 PHE 35 -6.754 -4.421 0.555 1.00 0.00 ATOM 291 CE2 PHE 35 -7.175 -2.990 -1.333 1.00 0.00 ATOM 292 CZ PHE 35 -6.280 -3.669 -0.516 1.00 0.00 ATOM 293 O PHE 35 -9.814 -2.590 3.113 1.00 0.00 ATOM 294 C PHE 35 -10.757 -2.725 2.339 1.00 0.00 ATOM 295 N PHE 36 -11.623 -1.743 2.102 1.00 0.00 ATOM 296 CA PHE 36 -11.491 -0.455 2.779 1.00 0.00 ATOM 297 CB PHE 36 -12.335 0.599 2.063 1.00 0.00 ATOM 298 CG PHE 36 -11.923 0.817 0.620 1.00 0.00 ATOM 299 CD1 PHE 36 -12.506 0.089 -0.429 1.00 0.00 ATOM 300 CD2 PHE 36 -10.933 1.753 0.320 1.00 0.00 ATOM 301 CE1 PHE 36 -12.097 0.317 -1.771 1.00 0.00 ATOM 302 CE2 PHE 36 -10.523 1.979 -0.997 1.00 0.00 ATOM 303 CZ PHE 36 -11.110 1.256 -2.053 1.00 0.00 ATOM 304 O PHE 36 -11.184 0.039 5.103 1.00 0.00 ATOM 305 C PHE 36 -11.857 -0.549 4.250 1.00 0.00 ATOM 306 N GLU 37 -12.943 -1.276 4.540 1.00 0.00 ATOM 307 CA GLU 37 -13.367 -1.482 5.915 1.00 0.00 ATOM 308 CB GLU 37 -14.490 -2.517 5.990 1.00 0.00 ATOM 309 CG GLU 37 -14.997 -2.691 7.404 1.00 0.00 ATOM 310 CD GLU 37 -15.965 -3.849 7.579 1.00 0.00 ATOM 311 OE1 GLU 37 -16.869 -4.039 6.742 1.00 0.00 ATOM 312 OE2 GLU 37 -15.824 -4.554 8.591 1.00 0.00 ATOM 313 O GLU 37 -12.095 -1.233 7.952 1.00 0.00 ATOM 314 C GLU 37 -12.253 -1.871 6.904 1.00 0.00 ATOM 315 N HIS 38 -11.470 -2.896 6.601 1.00 0.00 ATOM 316 CA HIS 38 -10.414 -3.350 7.492 1.00 0.00 ATOM 317 CB HIS 38 -10.781 -4.711 8.107 1.00 0.00 ATOM 318 CG HIS 38 -11.648 -4.582 9.321 1.00 0.00 ATOM 319 CD2 HIS 38 -12.974 -4.825 9.485 1.00 0.00 ATOM 320 ND1 HIS 38 -11.221 -4.039 10.518 1.00 0.00 ATOM 321 CE1 HIS 38 -12.266 -3.949 11.339 1.00 0.00 ATOM 322 NE2 HIS 38 -13.349 -4.416 10.756 1.00 0.00 ATOM 323 O HIS 38 -8.116 -4.055 7.404 1.00 0.00 ATOM 324 C HIS 38 -9.004 -3.370 6.890 1.00 0.00 ATOM 325 N PHE 39 -8.787 -2.632 5.801 1.00 0.00 ATOM 326 CA PHE 39 -7.447 -2.572 5.204 1.00 0.00 ATOM 327 CB PHE 39 -7.117 -2.526 3.950 1.00 0.00 ATOM 328 CG PHE 39 -6.843 -3.941 3.470 1.00 0.00 ATOM 329 CD1 PHE 39 -7.731 -4.572 2.618 1.00 0.00 ATOM 330 CD2 PHE 39 -5.705 -4.640 3.850 1.00 0.00 ATOM 331 CE1 PHE 39 -7.490 -5.856 2.154 1.00 0.00 ATOM 332 CE2 PHE 39 -5.457 -5.908 3.413 1.00 0.00 ATOM 333 CZ PHE 39 -6.362 -6.511 2.549 1.00 0.00 ATOM 334 O PHE 39 -7.041 -0.566 6.486 1.00 0.00 ATOM 335 C PHE 39 -6.598 -1.665 6.090 1.00 0.00 ATOM 336 N GLN 40 -5.404 -2.146 6.432 1.00 0.00 ATOM 337 CA GLN 40 -4.486 -1.392 7.288 1.00 0.00 ATOM 338 CB GLN 40 -3.658 -2.327 8.162 1.00 0.00 ATOM 339 CG GLN 40 -4.430 -2.976 9.307 1.00 0.00 ATOM 340 CD GLN 40 -4.918 -1.876 10.247 1.00 0.00 ATOM 341 OE1 GLN 40 -4.111 -1.242 10.929 1.00 0.00 ATOM 342 NE2 GLN 40 -6.209 -1.627 10.226 1.00 0.00 ATOM 343 O GLN 40 -2.797 0.280 7.150 1.00 0.00 ATOM 344 C GLN 40 -3.589 -0.431 6.524 1.00 0.00 ATOM 345 N ASP 41 -4.028 0.926 5.515 1.00 0.00 ATOM 346 CA ASP 41 -4.062 1.350 4.102 1.00 0.00 ATOM 347 CB ASP 41 -5.232 0.664 3.391 1.00 0.00 ATOM 348 CG ASP 41 -5.380 1.132 1.946 1.00 0.00 ATOM 349 OD1 ASP 41 -4.588 1.982 1.468 1.00 0.00 ATOM 350 OD2 ASP 41 -6.312 0.641 1.291 1.00 0.00 ATOM 351 O ASP 41 -5.349 3.323 4.096 1.00 0.00 ATOM 352 C ASP 41 -4.263 2.808 3.923 1.00 0.00 ATOM 353 N THR 42 -3.185 3.466 3.543 1.00 0.00 ATOM 354 CA THR 42 -3.182 4.899 3.394 1.00 0.00 ATOM 355 CB THR 42 -1.895 5.524 3.966 1.00 0.00 ATOM 356 CG2 THR 42 -1.760 5.203 5.445 1.00 0.00 ATOM 357 OG1 THR 42 -0.758 5.000 3.271 1.00 0.00 ATOM 358 O THR 42 -2.838 4.729 1.073 1.00 0.00 ATOM 359 C THR 42 -3.272 5.391 1.977 1.00 0.00 ATOM 360 N SER 43 -3.882 6.551 1.793 1.00 0.00 ATOM 361 CA SER 43 -3.856 7.183 0.500 1.00 0.00 ATOM 362 CB SER 43 -5.252 7.180 -0.126 1.00 0.00 ATOM 363 OG SER 43 -5.709 5.856 -0.349 1.00 0.00 ATOM 364 O SER 43 -3.757 9.193 1.823 1.00 0.00 ATOM 365 C SER 43 -3.370 8.595 0.796 1.00 0.00 ATOM 366 N PHE 44 -2.484 9.110 -0.066 1.00 0.00 ATOM 367 CA PHE 44 -2.065 10.480 0.060 1.00 0.00 ATOM 368 CB PHE 44 -0.576 10.615 -0.264 1.00 0.00 ATOM 369 CG PHE 44 -0.060 12.024 -0.161 1.00 0.00 ATOM 370 CD1 PHE 44 0.213 12.589 1.072 1.00 0.00 ATOM 371 CD2 PHE 44 0.153 12.782 -1.298 1.00 0.00 ATOM 372 CE1 PHE 44 0.688 13.883 1.167 1.00 0.00 ATOM 373 CE2 PHE 44 0.628 14.076 -1.205 1.00 0.00 ATOM 374 CZ PHE 44 0.894 14.627 0.021 1.00 0.00 ATOM 375 O PHE 44 -3.061 10.656 -2.126 1.00 0.00 ATOM 376 C PHE 44 -2.978 11.139 -0.976 1.00 0.00 ATOM 377 N ILE 45 -3.691 12.203 -0.567 1.00 0.00 ATOM 378 CA ILE 45 -4.620 12.889 -1.447 1.00 0.00 ATOM 379 CB ILE 45 -6.021 13.024 -0.807 1.00 0.00 ATOM 380 CG1 ILE 45 -6.443 11.687 -0.197 1.00 0.00 ATOM 381 CG2 ILE 45 -7.043 13.531 -1.824 1.00 0.00 ATOM 382 CD1 ILE 45 -6.887 11.805 1.194 1.00 0.00 ATOM 383 O ILE 45 -3.885 15.096 -0.899 1.00 0.00 ATOM 384 C ILE 45 -4.287 14.319 -1.780 1.00 0.00 ATOM 385 N THR 46 -4.470 14.671 -3.048 1.00 0.00 ATOM 386 CA THR 46 -4.273 16.060 -3.458 1.00 0.00 ATOM 387 CB THR 46 -4.113 16.180 -4.985 1.00 0.00 ATOM 388 CG2 THR 46 -3.900 17.631 -5.386 1.00 0.00 ATOM 389 OG1 THR 46 -2.981 15.411 -5.413 1.00 0.00 ATOM 390 O THR 46 -6.644 16.542 -3.458 1.00 0.00 ATOM 391 C THR 46 -5.541 16.799 -2.977 1.00 0.00 ATOM 392 N SER 47 -5.366 17.686 -2.010 1.00 0.00 ATOM 393 CA SER 47 -6.463 18.433 -1.446 1.00 0.00 ATOM 394 CB SER 47 -5.957 19.396 -0.370 1.00 0.00 ATOM 395 OG SER 47 -5.127 20.398 -0.932 1.00 0.00 ATOM 396 O SER 47 -8.401 19.513 -2.392 1.00 0.00 ATOM 397 C SER 47 -7.205 19.270 -2.502 1.00 0.00 ATOM 398 N GLU 48 -6.479 19.694 -3.523 1.00 0.00 ATOM 399 CA GLU 48 -7.006 20.529 -4.599 1.00 0.00 ATOM 400 CB GLU 48 -5.966 20.693 -5.710 1.00 0.00 ATOM 401 CG GLU 48 -4.773 21.550 -5.320 1.00 0.00 ATOM 402 CD GLU 48 -3.740 21.647 -6.427 1.00 0.00 ATOM 403 OE1 GLU 48 -3.934 21.002 -7.478 1.00 0.00 ATOM 404 OE2 GLU 48 -2.737 22.369 -6.241 1.00 0.00 ATOM 405 O GLU 48 -9.131 20.806 -5.660 1.00 0.00 ATOM 406 C GLU 48 -8.260 20.033 -5.302 1.00 0.00 ATOM 407 N HIS 49 -8.313 18.730 -5.528 1.00 0.00 ATOM 408 CA HIS 49 -9.403 18.115 -6.249 1.00 0.00 ATOM 409 CB HIS 49 -9.008 17.865 -7.704 1.00 0.00 ATOM 410 CG HIS 49 -8.621 19.104 -8.447 1.00 0.00 ATOM 411 CD2 HIS 49 -9.336 20.179 -9.120 1.00 0.00 ATOM 412 ND1 HIS 49 -7.308 19.477 -8.640 1.00 0.00 ATOM 413 CE1 HIS 49 -7.276 20.628 -9.337 1.00 0.00 ATOM 414 NE2 HIS 49 -8.491 21.054 -9.628 1.00 0.00 ATOM 415 O HIS 49 -10.411 15.967 -6.206 1.00 0.00 ATOM 416 C HIS 49 -9.750 16.794 -5.597 1.00 0.00 ATOM 417 N ASN 50 -9.312 16.606 -4.358 1.00 0.00 ATOM 418 CA ASN 50 -9.533 15.340 -3.671 1.00 0.00 ATOM 419 CB ASN 50 -10.997 15.210 -3.243 1.00 0.00 ATOM 420 CG ASN 50 -11.391 16.237 -2.199 1.00 0.00 ATOM 421 ND2 ASN 50 -12.294 17.139 -2.569 1.00 0.00 ATOM 422 OD1 ASN 50 -10.889 16.219 -1.075 1.00 0.00 ATOM 423 O ASN 50 -10.002 13.178 -4.673 1.00 0.00 ATOM 424 C ASN 50 -9.201 14.113 -4.565 1.00 0.00 ATOM 425 N SER 51 -8.017 14.122 -5.198 1.00 0.00 ATOM 426 CA SER 51 -7.601 13.016 -6.051 1.00 0.00 ATOM 427 CB SER 51 -7.114 13.536 -7.404 1.00 0.00 ATOM 428 OG SER 51 -8.168 14.155 -8.122 1.00 0.00 ATOM 429 O SER 51 -5.598 12.886 -4.787 1.00 0.00 ATOM 430 C SER 51 -6.484 12.275 -5.372 1.00 0.00 ATOM 431 N MET 52 -6.561 10.951 -5.426 1.00 0.00 ATOM 432 CA MET 52 -5.585 10.068 -4.793 1.00 0.00 ATOM 433 CB MET 52 -6.076 8.619 -4.823 1.00 0.00 ATOM 434 CG MET 52 -5.167 7.643 -4.094 1.00 0.00 ATOM 435 SD MET 52 -5.787 5.951 -4.139 1.00 0.00 ATOM 436 CE MET 52 -7.222 6.087 -3.078 1.00 0.00 ATOM 437 O MET 52 -4.209 9.885 -6.714 1.00 0.00 ATOM 438 C MET 52 -4.275 10.160 -5.538 1.00 0.00 ATOM 439 N THR 53 -3.236 10.609 -4.839 1.00 0.00 ATOM 440 CA THR 53 -1.942 10.770 -5.479 1.00 0.00 ATOM 441 CB THR 53 -1.129 11.857 -4.830 1.00 0.00 ATOM 442 CG2 THR 53 -1.924 13.150 -5.047 1.00 0.00 ATOM 443 OG1 THR 53 -0.978 11.587 -3.435 1.00 0.00 ATOM 444 O THR 53 -0.100 9.357 -5.987 1.00 0.00 ATOM 445 C THR 53 -1.040 9.552 -5.239 1.00 0.00 ATOM 446 N GLY 54 -1.371 8.728 -4.235 1.00 0.00 ATOM 447 CA GLY 54 -0.558 7.574 -3.871 1.00 0.00 ATOM 448 O GLY 54 -2.004 7.226 -2.020 1.00 0.00 ATOM 449 C GLY 54 -1.194 6.741 -2.775 1.00 0.00 ATOM 450 N PHE 55 -0.836 5.465 -2.710 1.00 0.00 ATOM 451 CA PHE 55 -1.355 4.584 -1.686 1.00 0.00 ATOM 452 CB PHE 55 -2.622 3.844 -2.142 1.00 0.00 ATOM 453 CG PHE 55 -2.395 2.662 -3.076 1.00 0.00 ATOM 454 CD1 PHE 55 -1.853 2.839 -4.346 1.00 0.00 ATOM 455 CD2 PHE 55 -2.750 1.371 -2.677 1.00 0.00 ATOM 456 CE1 PHE 55 -1.666 1.752 -5.203 1.00 0.00 ATOM 457 CE2 PHE 55 -2.569 0.271 -3.528 1.00 0.00 ATOM 458 CZ PHE 55 -2.024 0.461 -4.793 1.00 0.00 ATOM 459 O PHE 55 0.729 3.428 -2.020 1.00 0.00 ATOM 460 C PHE 55 -0.218 3.673 -1.265 1.00 0.00 ATOM 461 N LEU 56 -0.318 3.197 -0.044 1.00 0.00 ATOM 462 CA LEU 56 0.661 2.306 0.538 1.00 0.00 ATOM 463 CB LEU 56 1.917 3.081 0.940 1.00 0.00 ATOM 464 CG LEU 56 3.026 2.273 1.617 1.00 0.00 ATOM 465 CD1 LEU 56 3.572 1.214 0.673 1.00 0.00 ATOM 466 CD2 LEU 56 4.176 3.179 2.032 1.00 0.00 ATOM 467 O LEU 56 -0.945 2.299 2.293 1.00 0.00 ATOM 468 C LEU 56 -0.026 1.699 1.757 1.00 0.00 ATOM 469 N ILE 57 0.398 0.513 2.190 1.00 0.00 ATOM 470 CA ILE 57 -0.196 -0.159 3.362 1.00 0.00 ATOM 471 CB ILE 57 -0.730 -1.510 2.869 1.00 0.00 ATOM 472 CG1 ILE 57 -1.906 -1.275 1.938 1.00 0.00 ATOM 473 CG2 ILE 57 -1.219 -2.343 4.046 1.00 0.00 ATOM 474 CD1 ILE 57 -2.352 -2.600 1.342 1.00 0.00 ATOM 475 O ILE 57 2.054 -0.889 3.867 1.00 0.00 ATOM 476 C ILE 57 0.910 -0.668 4.290 1.00 0.00 ATOM 477 N GLY 58 0.600 -0.805 5.568 1.00 0.00 ATOM 478 CA GLY 58 1.563 -1.415 6.459 1.00 0.00 ATOM 479 O GLY 58 -0.243 -1.954 7.932 1.00 0.00 ATOM 480 C GLY 58 0.733 -2.345 7.313 1.00 0.00 ATOM 481 N PHE 59 1.092 -3.613 7.256 1.00 0.00 ATOM 482 CA PHE 59 0.424 -4.652 7.958 1.00 0.00 ATOM 483 CB PHE 59 0.335 -5.911 7.092 1.00 0.00 ATOM 484 CG PHE 59 -0.355 -7.062 7.766 1.00 0.00 ATOM 485 CD1 PHE 59 -1.734 -7.100 7.869 1.00 0.00 ATOM 486 CD2 PHE 59 0.378 -8.110 8.299 1.00 0.00 ATOM 487 CE1 PHE 59 -2.367 -8.157 8.490 1.00 0.00 ATOM 488 CE2 PHE 59 -0.256 -9.167 8.919 1.00 0.00 ATOM 489 CZ PHE 59 -1.623 -9.197 9.016 1.00 0.00 ATOM 490 O PHE 59 2.409 -5.142 9.203 1.00 0.00 ATOM 491 C PHE 59 1.182 -4.989 9.222 1.00 0.00 ATOM 492 N GLN 60 0.458 -5.111 10.322 1.00 0.00 ATOM 493 CA GLN 60 1.070 -5.406 11.608 1.00 0.00 ATOM 494 CB GLN 60 0.861 -4.243 12.580 1.00 0.00 ATOM 495 CG GLN 60 1.476 -4.461 13.952 1.00 0.00 ATOM 496 CD GLN 60 1.304 -3.263 14.865 1.00 0.00 ATOM 497 OE1 GLN 60 0.707 -2.258 14.482 1.00 0.00 ATOM 498 NE2 GLN 60 1.831 -3.367 16.081 1.00 0.00 ATOM 499 O GLN 60 -0.759 -6.720 12.415 1.00 0.00 ATOM 500 C GLN 60 0.457 -6.655 12.215 1.00 0.00 ATOM 501 N SER 61 1.304 -7.645 12.494 1.00 0.00 ATOM 502 CA SER 61 0.870 -8.913 13.085 1.00 0.00 ATOM 503 CB SER 61 1.743 -10.064 12.584 1.00 0.00 ATOM 504 OG SER 61 1.589 -10.252 11.187 1.00 0.00 ATOM 505 O SER 61 1.914 -8.320 15.160 1.00 0.00 ATOM 506 C SER 61 0.965 -8.873 14.607 1.00 0.00 ATOM 507 N GLN 62 -0.020 -9.474 15.265 1.00 0.00 ATOM 508 CA GLN 62 -0.062 -9.514 16.726 1.00 0.00 ATOM 509 CB GLN 62 -1.441 -9.971 17.210 1.00 0.00 ATOM 510 CG GLN 62 -2.561 -8.993 16.899 1.00 0.00 ATOM 511 CD GLN 62 -3.920 -9.508 17.334 1.00 0.00 ATOM 512 OE1 GLN 62 -4.037 -10.618 17.851 1.00 0.00 ATOM 513 NE2 GLN 62 -4.952 -8.701 17.122 1.00 0.00 ATOM 514 O GLN 62 1.295 -10.434 18.485 1.00 0.00 ATOM 515 C GLN 62 0.978 -10.484 17.297 1.00 0.00 ATOM 516 N SER 63 1.519 -11.376 16.468 1.00 0.00 ATOM 517 CA SER 63 2.503 -12.361 16.894 1.00 0.00 ATOM 518 CB SER 63 3.057 -13.120 15.686 1.00 0.00 ATOM 519 OG SER 63 4.024 -14.077 16.084 1.00 0.00 ATOM 520 O SER 63 4.056 -12.204 18.806 1.00 0.00 ATOM 521 C SER 63 3.764 -11.854 17.642 1.00 0.00 ATOM 522 N ASP 64 4.449 -10.935 16.987 1.00 0.00 ATOM 523 CA ASP 64 5.702 -10.412 17.521 1.00 0.00 ATOM 524 CB ASP 64 6.767 -10.349 16.423 1.00 0.00 ATOM 525 CG ASP 64 7.137 -11.719 15.892 1.00 0.00 ATOM 526 OD1 ASP 64 7.679 -12.530 16.671 1.00 0.00 ATOM 527 OD2 ASP 64 6.887 -11.982 14.697 1.00 0.00 ATOM 528 O ASP 64 4.754 -8.196 17.610 1.00 0.00 ATOM 529 C ASP 64 5.566 -8.990 18.101 1.00 0.00 ATOM 530 N PRO 65 6.297 -8.671 19.153 1.00 0.00 ATOM 531 CA PRO 65 6.210 -7.319 19.748 1.00 0.00 ATOM 532 CB PRO 65 7.179 -7.372 20.931 1.00 0.00 ATOM 533 CG PRO 65 8.231 -8.342 20.508 1.00 0.00 ATOM 534 CD PRO 65 7.509 -9.468 19.822 1.00 0.00 ATOM 535 O PRO 65 7.485 -6.557 17.849 1.00 0.00 ATOM 536 C PRO 65 6.623 -6.295 18.708 1.00 0.00 ATOM 537 N GLU 66 6.122 -6.931 17.817 1.00 0.00 ATOM 538 CA GLU 66 5.353 -6.538 16.661 1.00 0.00 ATOM 539 CB GLU 66 4.473 -5.333 16.971 1.00 0.00 ATOM 540 CG GLU 66 3.016 -5.592 16.674 1.00 0.00 ATOM 541 CD GLU 66 2.339 -6.371 17.773 1.00 0.00 ATOM 542 OE1 GLU 66 1.946 -5.737 18.771 1.00 0.00 ATOM 543 OE2 GLU 66 2.214 -7.610 17.652 1.00 0.00 ATOM 544 O GLU 66 7.364 -5.647 15.645 1.00 0.00 ATOM 545 C GLU 66 6.309 -6.279 15.491 1.00 0.00 ATOM 546 N THR 67 5.943 -6.778 14.318 1.00 0.00 ATOM 547 CA THR 67 6.748 -6.510 13.156 1.00 0.00 ATOM 548 CB THR 67 7.400 -7.793 12.611 1.00 0.00 ATOM 549 CG2 THR 67 8.248 -7.481 11.388 1.00 0.00 ATOM 550 OG1 THR 67 8.237 -8.374 13.620 1.00 0.00 ATOM 551 O THR 67 4.758 -6.476 11.795 1.00 0.00 ATOM 552 C THR 67 5.819 -5.913 12.102 1.00 0.00 ATOM 553 N ALA 68 6.218 -4.790 11.555 1.00 0.00 ATOM 554 CA ALA 68 5.428 -4.164 10.503 1.00 0.00 ATOM 555 CB ALA 68 5.570 -2.650 10.563 1.00 0.00 ATOM 556 O ALA 68 7.046 -4.930 8.845 1.00 0.00 ATOM 557 C ALA 68 5.871 -4.623 9.091 1.00 0.00 ATOM 558 N TYR 69 4.930 -4.687 8.163 1.00 0.00 ATOM 559 CA TYR 69 5.240 -5.120 6.823 1.00 0.00 ATOM 560 CB TYR 69 4.783 -6.588 6.595 1.00 0.00 ATOM 561 CG TYR 69 4.829 -7.430 7.852 1.00 0.00 ATOM 562 CD1 TYR 69 3.818 -7.340 8.807 1.00 0.00 ATOM 563 CD2 TYR 69 5.912 -8.277 8.116 1.00 0.00 ATOM 564 CE1 TYR 69 3.879 -8.064 9.996 1.00 0.00 ATOM 565 CE2 TYR 69 5.983 -9.006 9.303 1.00 0.00 ATOM 566 CZ TYR 69 4.961 -8.891 10.238 1.00 0.00 ATOM 567 OH TYR 69 5.027 -9.595 11.420 1.00 0.00 ATOM 568 O TYR 69 3.466 -3.972 5.668 1.00 0.00 ATOM 569 C TYR 69 4.671 -4.085 5.846 1.00 0.00 ATOM 570 N ILE 70 5.540 -3.325 5.213 1.00 0.00 ATOM 571 CA ILE 70 5.053 -2.350 4.242 1.00 0.00 ATOM 572 CB ILE 70 6.133 -1.255 4.040 1.00 0.00 ATOM 573 CG1 ILE 70 6.465 -0.602 5.389 1.00 0.00 ATOM 574 CG2 ILE 70 5.660 -0.206 3.039 1.00 0.00 ATOM 575 CD1 ILE 70 7.615 0.393 5.331 1.00 0.00 ATOM 576 O ILE 70 5.600 -3.726 2.392 1.00 0.00 ATOM 577 C ILE 70 4.751 -3.049 2.918 1.00 0.00 ATOM 578 N HIS 71 3.533 -2.901 2.412 1.00 0.00 ATOM 579 CA HIS 71 3.092 -3.560 1.185 1.00 0.00 ATOM 580 CB HIS 71 1.901 -4.188 1.262 1.00 0.00 ATOM 581 CG HIS 71 1.176 -4.412 2.549 1.00 0.00 ATOM 582 CD2 HIS 71 -0.047 -3.960 2.937 1.00 0.00 ATOM 583 ND1 HIS 71 1.749 -5.112 3.582 1.00 0.00 ATOM 584 CE1 HIS 71 0.871 -5.087 4.572 1.00 0.00 ATOM 585 NE2 HIS 71 -0.235 -4.405 4.234 1.00 0.00 ATOM 586 O HIS 71 1.989 -1.510 0.605 1.00 0.00 ATOM 587 C HIS 71 2.434 -2.592 0.205 1.00 0.00 ATOM 588 N PHE 72 2.345 -3.017 -1.063 1.00 0.00 ATOM 589 CA PHE 72 1.657 -2.280 -2.125 1.00 0.00 ATOM 590 CB PHE 72 0.845 -3.046 -3.074 1.00 0.00 ATOM 591 CG PHE 72 -0.621 -3.205 -2.843 1.00 0.00 ATOM 592 CD1 PHE 72 -1.126 -4.039 -1.871 1.00 0.00 ATOM 593 CD2 PHE 72 -1.513 -2.507 -3.642 1.00 0.00 ATOM 594 CE1 PHE 72 -2.494 -4.169 -1.687 1.00 0.00 ATOM 595 CE2 PHE 72 -2.874 -2.639 -3.482 1.00 0.00 ATOM 596 CZ PHE 72 -3.365 -3.469 -2.495 1.00 0.00 ATOM 597 O PHE 72 0.895 0.013 -2.217 1.00 0.00 ATOM 598 C PHE 72 1.849 -0.777 -2.267 1.00 0.00 ATOM 599 N SER 73 3.097 -0.384 -2.459 1.00 0.00 ATOM 600 CA SER 73 3.404 1.013 -2.596 1.00 0.00 ATOM 601 CB SER 73 4.868 1.277 -2.236 1.00 0.00 ATOM 602 OG SER 73 5.214 2.631 -2.466 1.00 0.00 ATOM 603 O SER 73 3.749 0.929 -4.875 1.00 0.00 ATOM 604 C SER 73 3.185 1.480 -3.985 1.00 0.00 ATOM 605 N GLY 74 2.384 2.512 -4.188 1.00 0.00 ATOM 606 CA GLY 74 2.182 2.977 -5.554 1.00 0.00 ATOM 607 O GLY 74 1.046 5.001 -4.861 1.00 0.00 ATOM 608 C GLY 74 1.932 4.476 -5.568 1.00 0.00 ATOM 609 N VAL 75 2.748 5.162 -6.347 1.00 0.00 ATOM 610 CA VAL 75 2.597 6.577 -6.532 1.00 0.00 ATOM 611 CB VAL 75 3.961 7.288 -6.581 1.00 0.00 ATOM 612 CG1 VAL 75 3.776 8.776 -6.839 1.00 0.00 ATOM 613 CG2 VAL 75 4.700 7.116 -5.263 1.00 0.00 ATOM 614 O VAL 75 2.210 6.102 -8.867 1.00 0.00 ATOM 615 C VAL 75 1.856 6.720 -7.868 1.00 0.00 ATOM 616 N HIS 76 0.793 7.510 -7.880 1.00 0.00 ATOM 617 CA HIS 76 -0.000 7.667 -9.092 1.00 0.00 ATOM 618 CB HIS 76 -1.209 8.565 -8.826 1.00 0.00 ATOM 619 CG HIS 76 -2.156 8.661 -9.983 1.00 0.00 ATOM 620 CD2 HIS 76 -2.381 9.611 -11.064 1.00 0.00 ATOM 621 ND1 HIS 76 -3.114 7.706 -10.243 1.00 0.00 ATOM 622 CE1 HIS 76 -3.806 8.066 -11.338 1.00 0.00 ATOM 623 NE2 HIS 76 -3.371 9.208 -11.837 1.00 0.00 ATOM 624 O HIS 76 1.750 9.083 -9.895 1.00 0.00 ATOM 625 C HIS 76 0.847 8.293 -10.178 1.00 0.00 ATOM 626 N PRO 77 0.566 7.928 -11.418 1.00 0.00 ATOM 627 CA PRO 77 1.353 8.408 -12.552 1.00 0.00 ATOM 628 CB PRO 77 0.650 7.809 -13.772 1.00 0.00 ATOM 629 CG PRO 77 -0.001 6.570 -13.255 1.00 0.00 ATOM 630 CD PRO 77 -0.488 6.901 -11.871 1.00 0.00 ATOM 631 O PRO 77 2.528 10.418 -13.123 1.00 0.00 ATOM 632 C PRO 77 1.463 9.917 -12.747 1.00 0.00 ATOM 633 N ASP 78 0.386 10.649 -12.497 1.00 0.00 ATOM 634 CA ASP 78 0.465 12.106 -12.678 1.00 0.00 ATOM 635 CB ASP 78 -0.934 12.700 -12.859 1.00 0.00 ATOM 636 CG ASP 78 -1.563 12.315 -14.184 1.00 0.00 ATOM 637 OD1 ASP 78 -2.339 13.125 -14.731 1.00 0.00 ATOM 638 OD2 ASP 78 -1.281 11.199 -14.672 1.00 0.00 ATOM 639 O ASP 78 1.248 14.017 -11.434 1.00 0.00 ATOM 640 C ASP 78 1.112 12.786 -11.470 1.00 0.00 ATOM 641 N PHE 79 1.508 11.988 -10.483 1.00 0.00 ATOM 642 CA PHE 79 2.052 12.556 -9.279 1.00 0.00 ATOM 643 CB PHE 79 1.228 12.127 -8.062 1.00 0.00 ATOM 644 CG PHE 79 -0.203 12.579 -8.112 1.00 0.00 ATOM 645 CD1 PHE 79 -1.200 11.720 -8.541 1.00 0.00 ATOM 646 CD2 PHE 79 -0.553 13.861 -7.729 1.00 0.00 ATOM 647 CE1 PHE 79 -2.517 12.135 -8.585 1.00 0.00 ATOM 648 CE2 PHE 79 -1.871 14.276 -7.774 1.00 0.00 ATOM 649 CZ PHE 79 -2.851 13.419 -8.200 1.00 0.00 ATOM 650 O PHE 79 4.021 12.439 -7.986 1.00 0.00 ATOM 651 C PHE 79 3.457 12.143 -9.021 1.00 0.00 ATOM 652 N ARG 80 4.041 11.453 -9.978 1.00 0.00 ATOM 653 CA ARG 80 5.401 10.987 -9.802 1.00 0.00 ATOM 654 CB ARG 80 6.052 10.149 -10.489 1.00 0.00 ATOM 655 CG ARG 80 6.177 8.995 -9.555 1.00 0.00 ATOM 656 CD ARG 80 6.840 7.825 -10.223 1.00 0.00 ATOM 657 NE ARG 80 6.857 6.696 -9.306 1.00 0.00 ATOM 658 CZ ARG 80 7.800 6.488 -8.394 1.00 0.00 ATOM 659 NH1 ARG 80 8.849 7.306 -8.295 1.00 0.00 ATOM 660 NH2 ARG 80 7.705 5.435 -7.603 1.00 0.00 ATOM 661 O ARG 80 6.030 13.239 -10.198 1.00 0.00 ATOM 662 C ARG 80 6.340 12.140 -9.739 1.00 0.00 ATOM 663 N LYS 81 7.494 11.861 -9.159 1.00 0.00 ATOM 664 CA LYS 81 8.540 12.844 -9.002 1.00 0.00 ATOM 665 CB LYS 81 8.903 13.459 -10.355 1.00 0.00 ATOM 666 CG LYS 81 9.421 12.458 -11.373 1.00 0.00 ATOM 667 CD LYS 81 9.775 13.140 -12.686 1.00 0.00 ATOM 668 CE LYS 81 10.293 12.138 -13.705 1.00 0.00 ATOM 669 NZ LYS 81 10.631 12.790 -15.001 1.00 0.00 ATOM 670 O LYS 81 8.995 14.978 -8.180 1.00 0.00 ATOM 671 C LYS 81 8.257 14.028 -8.105 1.00 0.00 ATOM 672 N MET 82 7.217 14.019 -7.276 1.00 0.00 ATOM 673 CA MET 82 6.955 15.145 -6.413 1.00 0.00 ATOM 674 CB MET 82 5.454 15.298 -6.262 1.00 0.00 ATOM 675 CG MET 82 4.809 15.492 -7.620 1.00 0.00 ATOM 676 SD MET 82 3.234 16.120 -7.411 1.00 0.00 ATOM 677 CE MET 82 3.610 17.793 -6.920 1.00 0.00 ATOM 678 O MET 82 8.006 14.105 -4.537 1.00 0.00 ATOM 679 C MET 82 7.651 15.151 -5.070 1.00 0.00 ATOM 680 N GLN 83 8.601 13.790 -4.062 1.00 0.00 ATOM 681 CA GLN 83 8.675 13.327 -2.692 1.00 0.00 ATOM 682 CB GLN 83 9.527 14.844 -2.117 1.00 0.00 ATOM 683 CG GLN 83 8.417 15.625 -1.435 1.00 0.00 ATOM 684 CD GLN 83 8.722 17.120 -1.342 1.00 0.00 ATOM 685 OE1 GLN 83 9.625 17.550 -0.615 1.00 0.00 ATOM 686 NE2 GLN 83 7.977 17.914 -2.092 1.00 0.00 ATOM 687 O GLN 83 7.350 12.314 -1.034 1.00 0.00 ATOM 688 C GLN 83 7.427 12.643 -2.195 1.00 0.00 ATOM 689 N ILE 84 6.439 12.433 -3.062 1.00 0.00 ATOM 690 CA ILE 84 5.205 11.813 -2.626 1.00 0.00 ATOM 691 CB ILE 84 4.211 11.696 -3.798 1.00 0.00 ATOM 692 CG1 ILE 84 3.757 13.055 -4.291 1.00 0.00 ATOM 693 CG2 ILE 84 3.032 10.815 -3.417 1.00 0.00 ATOM 694 CD1 ILE 84 3.005 13.110 -5.584 1.00 0.00 ATOM 695 O ILE 84 4.937 10.049 -1.006 1.00 0.00 ATOM 696 C ILE 84 5.481 10.458 -2.011 1.00 0.00 ATOM 697 N GLY 85 6.366 9.708 -2.677 1.00 0.00 ATOM 698 CA GLY 85 6.661 8.338 -2.160 1.00 0.00 ATOM 699 O GLY 85 7.066 7.711 0.133 1.00 0.00 ATOM 700 C GLY 85 7.382 8.410 -0.842 1.00 0.00 ATOM 701 N LYS 86 8.395 9.266 -0.695 1.00 0.00 ATOM 702 CA LYS 86 9.101 9.368 0.586 1.00 0.00 ATOM 703 CB LYS 86 9.749 10.914 0.563 1.00 0.00 ATOM 704 CG LYS 86 11.001 11.201 1.394 1.00 0.00 ATOM 705 CD LYS 86 11.129 12.671 1.583 1.00 0.00 ATOM 706 CE LYS 86 12.453 12.989 2.301 1.00 0.00 ATOM 707 NZ LYS 86 12.583 14.427 2.649 1.00 0.00 ATOM 708 O LYS 86 8.317 9.252 2.880 1.00 0.00 ATOM 709 C LYS 86 8.216 9.743 1.735 1.00 0.00 ATOM 710 N GLN 87 7.289 10.691 1.464 1.00 0.00 ATOM 711 CA GLN 87 6.380 11.157 2.533 1.00 0.00 ATOM 712 CB GLN 87 5.499 12.301 2.027 1.00 0.00 ATOM 713 CG GLN 87 6.251 13.595 1.764 1.00 0.00 ATOM 714 CD GLN 87 5.358 14.684 1.201 1.00 0.00 ATOM 715 OE1 GLN 87 4.167 14.470 0.978 1.00 0.00 ATOM 716 NE2 GLN 87 5.935 15.857 0.969 1.00 0.00 ATOM 717 O GLN 87 5.253 9.863 4.169 1.00 0.00 ATOM 718 C GLN 87 5.492 10.014 2.978 1.00 0.00 ATOM 719 N LEU 88 5.013 9.214 2.012 1.00 0.00 ATOM 720 CA LEU 88 4.112 8.095 2.331 1.00 0.00 ATOM 721 CB LEU 88 3.692 7.365 1.055 1.00 0.00 ATOM 722 CG LEU 88 2.717 8.108 0.139 1.00 0.00 ATOM 723 CD1 LEU 88 2.484 7.328 -1.145 1.00 0.00 ATOM 724 CD2 LEU 88 1.374 8.302 0.828 1.00 0.00 ATOM 725 O LEU 88 4.216 6.666 4.294 1.00 0.00 ATOM 726 C LEU 88 4.784 7.069 3.260 1.00 0.00 ATOM 727 N TYR 89 5.994 6.675 2.899 1.00 0.00 ATOM 728 CA TYR 89 6.749 5.728 3.698 1.00 0.00 ATOM 729 CB TYR 89 8.108 5.450 3.059 1.00 0.00 ATOM 730 CG TYR 89 8.041 4.562 1.837 1.00 0.00 ATOM 731 CD1 TYR 89 8.047 5.108 0.559 1.00 0.00 ATOM 732 CD2 TYR 89 7.972 3.181 1.964 1.00 0.00 ATOM 733 CE1 TYR 89 7.986 4.305 -0.563 1.00 0.00 ATOM 734 CE2 TYR 89 7.910 2.362 0.853 1.00 0.00 ATOM 735 CZ TYR 89 7.917 2.936 -0.418 1.00 0.00 ATOM 736 OH TYR 89 7.854 2.133 -1.534 1.00 0.00 ATOM 737 O TYR 89 6.666 5.686 6.095 1.00 0.00 ATOM 738 C TYR 89 6.946 6.335 5.086 1.00 0.00 ATOM 739 N ASP 90 7.396 7.574 5.152 1.00 0.00 ATOM 740 CA ASP 90 7.615 8.199 6.454 1.00 0.00 ATOM 741 CB ASP 90 7.972 9.677 6.286 1.00 0.00 ATOM 742 CG ASP 90 9.360 9.881 5.714 1.00 0.00 ATOM 743 OD1 ASP 90 9.820 11.041 5.671 1.00 0.00 ATOM 744 OD2 ASP 90 9.988 8.880 5.310 1.00 0.00 ATOM 745 O ASP 90 6.523 7.850 8.509 1.00 0.00 ATOM 746 C ASP 90 6.413 8.122 7.319 1.00 0.00 ATOM 747 N VAL 91 5.246 8.368 6.742 1.00 0.00 ATOM 748 CA VAL 91 3.998 8.268 7.495 1.00 0.00 ATOM 749 CB VAL 91 2.783 8.628 6.621 1.00 0.00 ATOM 750 CG1 VAL 91 1.488 8.316 7.355 1.00 0.00 ATOM 751 CG2 VAL 91 2.793 10.108 6.275 1.00 0.00 ATOM 752 O VAL 91 3.442 6.622 9.154 1.00 0.00 ATOM 753 C VAL 91 3.817 6.839 8.004 1.00 0.00 ATOM 754 N PHE 92 4.097 5.869 7.142 1.00 0.00 ATOM 755 CA PHE 92 3.980 4.463 7.501 1.00 0.00 ATOM 756 CB PHE 92 4.411 3.576 6.328 1.00 0.00 ATOM 757 CG PHE 92 4.369 2.093 6.615 1.00 0.00 ATOM 758 CD1 PHE 92 5.387 1.449 7.292 1.00 0.00 ATOM 759 CD2 PHE 92 3.311 1.324 6.171 1.00 0.00 ATOM 760 CE1 PHE 92 5.352 0.086 7.574 1.00 0.00 ATOM 761 CE2 PHE 92 3.250 -0.040 6.448 1.00 0.00 ATOM 762 CZ PHE 92 4.280 -0.659 7.143 1.00 0.00 ATOM 763 O PHE 92 4.423 3.539 9.686 1.00 0.00 ATOM 764 C PHE 92 4.877 4.118 8.702 1.00 0.00 ATOM 765 N ILE 93 6.150 4.485 8.607 1.00 0.00 ATOM 766 CA ILE 93 7.121 4.209 9.663 1.00 0.00 ATOM 767 CB ILE 93 8.537 4.683 9.225 1.00 0.00 ATOM 768 CG1 ILE 93 9.021 3.816 8.059 1.00 0.00 ATOM 769 CG2 ILE 93 9.528 4.600 10.388 1.00 0.00 ATOM 770 CD1 ILE 93 10.387 4.211 7.509 1.00 0.00 ATOM 771 O ILE 93 6.770 4.235 12.040 1.00 0.00 ATOM 772 C ILE 93 6.729 4.867 10.985 1.00 0.00 ATOM 773 N GLU 94 6.332 6.133 10.924 1.00 0.00 ATOM 774 CA GLU 94 5.937 6.868 12.116 1.00 0.00 ATOM 775 CB GLU 94 5.696 8.339 11.761 1.00 0.00 ATOM 776 CG GLU 94 6.092 9.323 12.851 1.00 0.00 ATOM 777 CD GLU 94 7.575 9.273 13.172 1.00 0.00 ATOM 778 OE1 GLU 94 7.928 8.792 14.270 1.00 0.00 ATOM 779 OE2 GLU 94 8.388 9.714 12.328 1.00 0.00 ATOM 780 O GLU 94 4.573 6.189 13.979 1.00 0.00 ATOM 781 C GLU 94 4.677 6.280 12.754 1.00 0.00 ATOM 782 N THR 95 3.721 5.875 11.923 1.00 0.00 ATOM 783 CA THR 95 2.473 5.321 12.428 1.00 0.00 ATOM 784 CB THR 95 1.429 5.189 11.295 1.00 0.00 ATOM 785 CG2 THR 95 0.103 4.651 11.837 1.00 0.00 ATOM 786 OG1 THR 95 1.195 6.477 10.714 1.00 0.00 ATOM 787 O THR 95 2.138 3.681 14.156 1.00 0.00 ATOM 788 C THR 95 2.692 3.963 13.089 1.00 0.00 ATOM 789 N VAL 96 3.500 3.118 12.468 1.00 0.00 ATOM 790 CA VAL 96 3.777 1.802 13.033 1.00 0.00 ATOM 791 CB VAL 96 4.572 0.921 12.045 1.00 0.00 ATOM 792 CG1 VAL 96 5.105 -0.328 12.756 1.00 0.00 ATOM 793 CG2 VAL 96 3.662 0.516 10.885 1.00 0.00 ATOM 794 O VAL 96 4.300 1.305 15.325 1.00 0.00 ATOM 795 C VAL 96 4.573 1.967 14.321 1.00 0.00 ATOM 796 N LYS 97 5.562 2.854 14.293 1.00 0.00 ATOM 797 CA LYS 97 6.371 3.098 15.479 1.00 0.00 ATOM 798 CB LYS 97 7.416 4.178 15.200 1.00 0.00 ATOM 799 CG LYS 97 8.304 4.499 16.399 1.00 0.00 ATOM 800 CD LYS 97 9.343 5.551 16.031 1.00 0.00 ATOM 801 CE LYS 97 10.258 5.871 17.198 1.00 0.00 ATOM 802 NZ LYS 97 11.356 6.789 16.778 1.00 0.00 ATOM 803 O LYS 97 5.649 3.061 17.763 1.00 0.00 ATOM 804 C LYS 97 5.484 3.538 16.639 1.00 0.00 ATOM 805 N GLN 98 4.545 4.435 16.373 1.00 0.00 ATOM 806 CA GLN 98 3.653 4.937 17.400 1.00 0.00 ATOM 807 CB GLN 98 2.701 5.962 16.783 1.00 0.00 ATOM 808 CG GLN 98 1.625 6.472 17.728 1.00 0.00 ATOM 809 CD GLN 98 1.039 7.764 17.225 1.00 0.00 ATOM 810 OE1 GLN 98 1.258 8.819 17.812 1.00 0.00 ATOM 811 NE2 GLN 98 0.358 7.698 16.074 1.00 0.00 ATOM 812 O GLN 98 2.848 3.674 19.247 1.00 0.00 ATOM 813 C GLN 98 2.883 3.805 18.044 1.00 0.00 ATOM 814 N ARG 99 2.232 2.938 17.138 1.00 0.00 ATOM 815 CA ARG 99 1.438 1.794 17.552 1.00 0.00 ATOM 816 CB ARG 99 0.828 1.066 16.344 1.00 0.00 ATOM 817 CG ARG 99 -0.395 1.872 15.815 1.00 0.00 ATOM 818 CD ARG 99 -0.885 1.282 14.494 1.00 0.00 ATOM 819 NE ARG 99 -2.184 1.821 14.145 1.00 0.00 ATOM 820 CZ ARG 99 -2.796 1.640 12.987 1.00 0.00 ATOM 821 NH1 ARG 99 -2.218 1.084 11.963 1.00 0.00 ATOM 822 NH2 ARG 99 -4.060 2.055 12.879 1.00 0.00 ATOM 823 O ARG 99 1.990 0.379 19.400 1.00 0.00 ATOM 824 C ARG 99 2.366 0.841 18.316 1.00 0.00 ATOM 825 N GLY 100 4.416 0.770 18.199 1.00 0.00 ATOM 826 CA GLY 100 5.403 0.060 18.984 1.00 0.00 ATOM 827 O GLY 100 6.883 -1.766 18.769 1.00 0.00 ATOM 828 C GLY 100 6.263 -0.920 18.185 1.00 0.00 ATOM 829 N CYS 101 6.287 -0.834 16.861 1.00 0.00 ATOM 830 CA CYS 101 7.128 -1.728 16.088 1.00 0.00 ATOM 831 CB CYS 101 6.938 -1.483 14.591 1.00 0.00 ATOM 832 SG CYS 101 5.303 -1.928 13.962 1.00 0.00 ATOM 833 O CYS 101 8.974 -0.319 16.682 1.00 0.00 ATOM 834 C CYS 101 8.581 -1.464 16.473 1.00 0.00 ATOM 835 N THR 102 9.362 -2.531 16.597 1.00 0.00 ATOM 836 CA THR 102 10.757 -2.416 16.919 1.00 0.00 ATOM 837 CB THR 102 11.272 -3.667 17.655 1.00 0.00 ATOM 838 CG2 THR 102 10.475 -3.904 18.927 1.00 0.00 ATOM 839 OG1 THR 102 11.140 -4.813 16.803 1.00 0.00 ATOM 840 O THR 102 12.628 -1.894 15.508 1.00 0.00 ATOM 841 C THR 102 11.469 -2.249 15.571 1.00 0.00 ATOM 842 N ARG 103 10.760 -2.540 14.486 1.00 0.00 ATOM 843 CA ARG 103 11.305 -2.324 13.150 1.00 0.00 ATOM 844 CB ARG 103 12.056 -3.550 12.696 1.00 0.00 ATOM 845 CG ARG 103 13.563 -3.341 12.766 1.00 0.00 ATOM 846 CD ARG 103 14.317 -4.561 12.258 1.00 0.00 ATOM 847 NE ARG 103 14.076 -5.738 13.090 1.00 0.00 ATOM 848 CZ ARG 103 14.074 -6.989 12.637 1.00 0.00 ATOM 849 NH1 ARG 103 14.301 -7.234 11.352 1.00 0.00 ATOM 850 NH2 ARG 103 13.845 -7.997 13.468 1.00 0.00 ATOM 851 O ARG 103 9.131 -2.937 12.312 1.00 0.00 ATOM 852 C ARG 103 10.209 -2.371 12.099 1.00 0.00 ATOM 853 N VAL 104 10.519 -1.768 10.956 1.00 0.00 ATOM 854 CA VAL 104 9.618 -1.752 9.841 1.00 0.00 ATOM 855 CB VAL 104 8.989 -0.361 9.642 1.00 0.00 ATOM 856 CG1 VAL 104 10.074 0.685 9.431 1.00 0.00 ATOM 857 CG2 VAL 104 8.074 -0.356 8.428 1.00 0.00 ATOM 858 O VAL 104 11.537 -1.609 8.396 1.00 0.00 ATOM 859 C VAL 104 10.438 -2.133 8.628 1.00 0.00 ATOM 860 N LYS 105 9.927 -3.081 7.867 1.00 0.00 ATOM 861 CA LYS 105 10.622 -3.535 6.685 1.00 0.00 ATOM 862 CB LYS 105 11.229 -4.569 6.368 1.00 0.00 ATOM 863 CG LYS 105 11.534 -4.487 4.863 1.00 0.00 ATOM 864 CD LYS 105 12.263 -5.719 4.379 1.00 0.00 ATOM 865 CE LYS 105 12.751 -5.494 2.930 1.00 0.00 ATOM 866 NZ LYS 105 13.359 -6.745 2.426 1.00 0.00 ATOM 867 O LYS 105 8.495 -3.315 5.534 1.00 0.00 ATOM 868 C LYS 105 9.734 -3.429 5.441 1.00 0.00 ATOM 869 N CYS 106 10.388 -3.470 4.293 1.00 0.00 ATOM 870 CA CYS 106 9.737 -3.421 3.020 1.00 0.00 ATOM 871 CB CYS 106 9.343 -1.982 2.676 1.00 0.00 ATOM 872 SG CYS 106 8.429 -1.808 1.127 1.00 0.00 ATOM 873 O CYS 106 11.956 -4.030 2.165 1.00 0.00 ATOM 874 C CYS 106 10.723 -3.958 1.962 1.00 0.00 ATOM 875 N VAL 107 10.188 -4.342 0.826 1.00 0.00 ATOM 876 CA VAL 107 11.036 -4.865 -0.223 1.00 0.00 ATOM 877 CB VAL 107 10.457 -6.221 -0.771 1.00 0.00 ATOM 878 CG1 VAL 107 11.285 -6.729 -1.963 1.00 0.00 ATOM 879 CG2 VAL 107 10.441 -7.262 0.286 1.00 0.00 ATOM 880 O VAL 107 10.055 -3.298 -1.703 1.00 0.00 ATOM 881 C VAL 107 11.060 -3.944 -1.416 1.00 0.00 ATOM 882 N THR 108 12.184 -3.832 -2.091 1.00 0.00 ATOM 883 CA THR 108 12.257 -2.988 -3.280 1.00 0.00 ATOM 884 CB THR 108 13.184 -1.791 -2.987 1.00 0.00 ATOM 885 CG2 THR 108 13.351 -0.899 -4.210 1.00 0.00 ATOM 886 OG1 THR 108 12.587 -1.005 -1.918 1.00 0.00 ATOM 887 O THR 108 13.817 -4.347 -4.401 1.00 0.00 ATOM 888 C THR 108 12.730 -3.790 -4.488 1.00 0.00 ATOM 889 N SER 109 11.943 -3.860 -5.554 1.00 0.00 ATOM 890 CA SER 109 12.342 -4.568 -6.777 1.00 0.00 ATOM 891 CB SER 109 11.325 -5.656 -7.123 1.00 0.00 ATOM 892 OG SER 109 10.082 -5.091 -7.502 1.00 0.00 ATOM 893 O SER 109 11.952 -2.412 -7.771 1.00 0.00 ATOM 894 C SER 109 12.411 -3.542 -7.912 1.00 0.00 ATOM 895 N PRO 110 12.987 -3.899 -9.048 1.00 0.00 ATOM 896 CA PRO 110 13.210 -2.924 -10.124 1.00 0.00 ATOM 897 CB PRO 110 14.334 -3.546 -10.957 1.00 0.00 ATOM 898 CG PRO 110 14.158 -5.017 -10.782 1.00 0.00 ATOM 899 CD PRO 110 13.825 -5.229 -9.331 1.00 0.00 ATOM 900 O PRO 110 11.741 -3.349 -11.997 1.00 0.00 ATOM 901 C PRO 110 11.943 -2.713 -10.967 1.00 0.00 ATOM 902 N VAL 111 11.113 -1.818 -10.436 1.00 0.00 ATOM 903 CA VAL 111 9.803 -1.557 -11.018 1.00 0.00 ATOM 904 CB VAL 111 8.670 -2.078 -10.114 1.00 0.00 ATOM 905 CG1 VAL 111 8.773 -3.586 -9.946 1.00 0.00 ATOM 906 CG2 VAL 111 8.747 -1.434 -8.738 1.00 0.00 ATOM 907 O VAL 111 10.327 0.755 -10.596 1.00 0.00 ATOM 908 C VAL 111 9.608 -0.051 -11.210 1.00 0.00 ATOM 909 N ASN 112 8.632 0.313 -12.025 1.00 0.00 ATOM 910 CA ASN 112 8.291 1.711 -12.235 1.00 0.00 ATOM 911 CB ASN 112 7.284 1.851 -13.378 1.00 0.00 ATOM 912 CG ASN 112 7.910 1.627 -14.738 1.00 0.00 ATOM 913 ND2 ASN 112 9.165 1.192 -14.745 1.00 0.00 ATOM 914 OD1 ASN 112 7.273 1.842 -15.770 1.00 0.00 ATOM 915 O ASN 112 7.952 3.502 -10.609 1.00 0.00 ATOM 916 C ASN 112 7.667 2.326 -10.969 1.00 0.00 ATOM 917 N LYS 113 6.809 1.519 -10.326 1.00 0.00 ATOM 918 CA LYS 113 6.080 1.981 -9.138 1.00 0.00 ATOM 919 CB LYS 113 4.705 0.901 -9.339 1.00 0.00 ATOM 920 CG LYS 113 4.644 0.179 -10.701 1.00 0.00 ATOM 921 CD LYS 113 4.317 1.115 -11.820 1.00 0.00 ATOM 922 CE LYS 113 4.349 0.451 -13.186 1.00 0.00 ATOM 923 NZ LYS 113 5.759 0.319 -13.658 1.00 0.00 ATOM 924 O LYS 113 6.628 2.391 -6.809 1.00 0.00 ATOM 925 C LYS 113 6.955 1.874 -7.888 1.00 0.00 ATOM 926 N VAL 114 8.105 1.270 -8.049 1.00 0.00 ATOM 927 CA VAL 114 8.993 1.107 -6.899 1.00 0.00 ATOM 928 CB VAL 114 9.411 -0.364 -6.711 1.00 0.00 ATOM 929 CG1 VAL 114 10.379 -0.498 -5.545 1.00 0.00 ATOM 930 CG2 VAL 114 8.193 -1.231 -6.430 1.00 0.00 ATOM 931 O VAL 114 10.917 1.845 -8.119 1.00 0.00 ATOM 932 C VAL 114 10.247 1.929 -7.088 1.00 0.00 ATOM 933 N SER 115 10.629 2.774 -6.135 1.00 0.00 ATOM 934 CA SER 115 11.841 3.536 -6.430 1.00 0.00 ATOM 935 CB SER 115 11.597 5.031 -6.221 1.00 0.00 ATOM 936 OG SER 115 12.791 5.774 -6.407 1.00 0.00 ATOM 937 O SER 115 12.771 2.964 -4.299 1.00 0.00 ATOM 938 C SER 115 12.952 3.073 -5.498 1.00 0.00 ATOM 939 N ILE 116 14.089 2.749 -6.116 1.00 0.00 ATOM 940 CA ILE 116 15.272 2.341 -5.364 1.00 0.00 ATOM 941 CB ILE 116 16.354 1.862 -6.344 1.00 0.00 ATOM 942 CG1 ILE 116 15.881 0.589 -7.042 1.00 0.00 ATOM 943 CG2 ILE 116 17.669 1.681 -5.630 1.00 0.00 ATOM 944 CD1 ILE 116 16.744 0.134 -8.205 1.00 0.00 ATOM 945 O ILE 116 16.048 3.222 -3.298 1.00 0.00 ATOM 946 C ILE 116 15.810 3.462 -4.478 1.00 0.00 ATOM 947 N ALA 117 15.952 4.676 -4.989 1.00 0.00 ATOM 948 CA ALA 117 16.543 5.749 -4.194 1.00 0.00 ATOM 949 CB ALA 117 16.797 6.924 -5.145 1.00 0.00 ATOM 950 O ALA 117 16.228 6.806 -2.070 1.00 0.00 ATOM 951 C ALA 117 15.701 6.271 -3.043 1.00 0.00 ATOM 952 N TYR 118 14.379 6.114 -3.175 1.00 0.00 ATOM 953 CA TYR 118 13.484 6.719 -2.190 1.00 0.00 ATOM 954 CB TYR 118 12.028 6.544 -2.633 1.00 0.00 ATOM 955 CG TYR 118 11.620 7.580 -3.668 1.00 0.00 ATOM 956 CD1 TYR 118 11.374 7.264 -4.985 1.00 0.00 ATOM 957 CD2 TYR 118 11.474 8.895 -3.224 1.00 0.00 ATOM 958 CE1 TYR 118 10.938 8.254 -5.880 1.00 0.00 ATOM 959 CE2 TYR 118 10.993 9.863 -4.095 1.00 0.00 ATOM 960 CZ TYR 118 10.747 9.526 -5.395 1.00 0.00 ATOM 961 OH TYR 118 10.250 10.526 -6.225 1.00 0.00 ATOM 962 O TYR 118 13.638 6.894 0.209 1.00 0.00 ATOM 963 C TYR 118 13.685 6.196 -0.786 1.00 0.00 ATOM 964 N HIS 119 13.787 4.837 -0.646 1.00 0.00 ATOM 965 CA HIS 119 13.989 4.317 0.700 1.00 0.00 ATOM 966 CB HIS 119 13.938 2.771 0.724 1.00 0.00 ATOM 967 CG HIS 119 12.549 2.247 0.527 1.00 0.00 ATOM 968 CD2 HIS 119 11.333 2.826 0.750 1.00 0.00 ATOM 969 ND1 HIS 119 12.294 0.981 0.023 1.00 0.00 ATOM 970 CE1 HIS 119 10.973 0.803 -0.032 1.00 0.00 ATOM 971 NE2 HIS 119 10.375 1.894 0.445 1.00 0.00 ATOM 972 O HIS 119 15.231 5.258 2.491 1.00 0.00 ATOM 973 C HIS 119 15.256 4.832 1.339 1.00 0.00 ATOM 974 N THR 120 16.360 4.824 0.605 1.00 0.00 ATOM 975 CA THR 120 17.591 5.309 1.169 1.00 0.00 ATOM 976 CB THR 120 18.710 4.987 0.204 1.00 0.00 ATOM 977 CG2 THR 120 19.972 5.670 0.654 1.00 0.00 ATOM 978 OG1 THR 120 18.893 3.605 0.277 1.00 0.00 ATOM 979 O THR 120 18.071 7.368 2.311 1.00 0.00 ATOM 980 C THR 120 17.563 6.816 1.354 1.00 0.00 ATOM 981 N LYS 121 16.911 7.509 0.481 1.00 0.00 ATOM 982 CA LYS 121 16.862 8.953 0.709 1.00 0.00 ATOM 983 CB LYS 121 16.461 9.637 -0.586 1.00 0.00 ATOM 984 CG LYS 121 17.679 9.741 -1.531 1.00 0.00 ATOM 985 CD LYS 121 17.363 10.358 -2.895 1.00 0.00 ATOM 986 CE LYS 121 16.884 11.797 -2.802 1.00 0.00 ATOM 987 NZ LYS 121 16.966 12.510 -4.085 1.00 0.00 ATOM 988 O LYS 121 16.188 10.496 2.503 1.00 0.00 ATOM 989 C LYS 121 16.048 9.410 1.939 1.00 0.00 ATOM 990 N LEU 122 15.403 8.263 3.304 1.00 0.00 ATOM 991 CA LEU 122 14.308 8.346 4.273 1.00 0.00 ATOM 992 CB LEU 122 13.020 7.727 3.718 1.00 0.00 ATOM 993 CG LEU 122 11.975 8.615 3.010 1.00 0.00 ATOM 994 CD1 LEU 122 12.630 9.744 2.257 1.00 0.00 ATOM 995 CD2 LEU 122 11.146 7.782 2.062 1.00 0.00 ATOM 996 O LEU 122 13.941 7.575 6.532 1.00 0.00 ATOM 997 C LEU 122 14.750 7.722 5.609 1.00 0.00 ATOM 998 N GLY 123 16.020 7.325 5.694 1.00 0.00 ATOM 999 CA GLY 123 16.537 6.790 6.937 1.00 0.00 ATOM 1000 O GLY 123 16.005 4.986 8.420 1.00 0.00 ATOM 1001 C GLY 123 15.978 5.413 7.270 1.00 0.00 ATOM 1002 N PHE 124 15.467 4.711 6.265 1.00 0.00 ATOM 1003 CA PHE 124 14.915 3.401 6.509 1.00 0.00 ATOM 1004 CB PHE 124 14.325 2.919 5.208 1.00 0.00 ATOM 1005 CG PHE 124 12.978 3.566 5.073 1.00 0.00 ATOM 1006 CD1 PHE 124 11.890 3.051 5.761 1.00 0.00 ATOM 1007 CD2 PHE 124 12.832 4.682 4.260 1.00 0.00 ATOM 1008 CE1 PHE 124 10.646 3.662 5.629 1.00 0.00 ATOM 1009 CE2 PHE 124 11.590 5.286 4.135 1.00 0.00 ATOM 1010 CZ PHE 124 10.491 4.780 4.819 1.00 0.00 ATOM 1011 O PHE 124 17.097 2.583 5.885 1.00 0.00 ATOM 1012 C PHE 124 16.014 2.330 6.447 1.00 0.00 ATOM 1013 N ASP 125 15.736 1.170 7.053 1.00 0.00 ATOM 1014 CA ASP 125 16.659 0.040 7.106 1.00 0.00 ATOM 1015 CB ASP 125 17.151 -0.184 8.537 1.00 0.00 ATOM 1016 CG ASP 125 17.982 0.972 9.054 1.00 0.00 ATOM 1017 OD1 ASP 125 19.071 1.219 8.498 1.00 0.00 ATOM 1018 OD2 ASP 125 17.543 1.635 10.019 1.00 0.00 ATOM 1019 O ASP 125 14.771 -1.402 6.772 1.00 0.00 ATOM 1020 C ASP 125 15.979 -1.230 6.631 1.00 0.00 ATOM 1021 N ILE 126 16.770 -2.141 6.107 1.00 0.00 ATOM 1022 CA ILE 126 16.232 -3.403 5.650 1.00 0.00 ATOM 1023 CB ILE 126 17.286 -4.292 5.068 1.00 0.00 ATOM 1024 CG1 ILE 126 17.808 -3.614 3.815 1.00 0.00 ATOM 1025 CG2 ILE 126 16.667 -5.637 4.754 1.00 0.00 ATOM 1026 CD1 ILE 126 19.055 -4.347 3.203 1.00 0.00 ATOM 1027 O ILE 126 16.353 -4.181 7.898 1.00 0.00 ATOM 1028 C ILE 126 15.701 -4.141 6.870 1.00 0.00 ATOM 1029 N GLU 127 14.516 -4.722 6.772 1.00 0.00 ATOM 1030 CA GLU 127 13.952 -5.351 7.945 1.00 0.00 ATOM 1031 CB GLU 127 13.375 -4.102 8.800 1.00 0.00 ATOM 1032 CG GLU 127 14.470 -3.178 9.323 1.00 0.00 ATOM 1033 CD GLU 127 13.969 -1.930 10.014 1.00 0.00 ATOM 1034 OE1 GLU 127 12.741 -1.686 10.002 1.00 0.00 ATOM 1035 OE2 GLU 127 14.816 -1.192 10.566 1.00 0.00 ATOM 1036 O GLU 127 12.947 -7.356 8.685 1.00 0.00 ATOM 1037 C GLU 127 13.298 -6.691 7.721 1.00 0.00 ATOM 1038 N LYS 128 13.097 -7.087 6.466 1.00 0.00 ATOM 1039 CA LYS 128 12.495 -8.374 6.237 1.00 0.00 ATOM 1040 CB LYS 128 11.237 -8.529 6.228 1.00 0.00 ATOM 1041 CG LYS 128 11.180 -9.515 7.359 1.00 0.00 ATOM 1042 CD LYS 128 11.947 -10.758 6.975 1.00 0.00 ATOM 1043 CE LYS 128 11.953 -11.780 8.087 1.00 0.00 ATOM 1044 NZ LYS 128 12.540 -13.054 7.584 1.00 0.00 ATOM 1045 O LYS 128 12.679 -7.811 3.976 1.00 0.00 ATOM 1046 C LYS 128 12.141 -8.521 4.796 1.00 0.00 ATOM 1047 N GLY 129 11.210 -9.439 4.527 1.00 0.00 ATOM 1048 CA GLY 129 10.774 -9.697 3.164 1.00 0.00 ATOM 1049 O GLY 129 9.419 -7.732 3.370 1.00 0.00 ATOM 1050 C GLY 129 9.833 -8.630 2.633 1.00 0.00 ATOM 1051 N THR 130 9.487 -8.737 1.356 1.00 0.00 ATOM 1052 CA THR 130 8.591 -7.789 0.701 1.00 0.00 ATOM 1053 CB THR 130 9.333 -6.979 -0.396 1.00 0.00 ATOM 1054 CG2 THR 130 9.913 -7.903 -1.462 1.00 0.00 ATOM 1055 OG1 THR 130 8.426 -6.059 -1.013 1.00 0.00 ATOM 1056 O THR 130 7.543 -9.715 -0.270 1.00 0.00 ATOM 1057 C THR 130 7.422 -8.542 0.070 1.00 0.00 ATOM 1058 N LYS 131 6.284 -7.875 -0.075 1.00 0.00 ATOM 1059 CA LYS 131 5.120 -8.517 -0.675 1.00 0.00 ATOM 1060 CB LYS 131 3.993 -7.243 -0.721 1.00 0.00 ATOM 1061 CG LYS 131 2.522 -7.457 -0.401 1.00 0.00 ATOM 1062 CD LYS 131 1.728 -6.255 -0.808 1.00 0.00 ATOM 1063 CE LYS 131 0.277 -6.372 -0.425 1.00 0.00 ATOM 1064 NZ LYS 131 -0.413 -5.169 -1.015 1.00 0.00 ATOM 1065 O LYS 131 4.610 -9.707 -2.688 1.00 0.00 ATOM 1066 C LYS 131 5.330 -8.867 -2.145 1.00 0.00 ATOM 1067 N THR 132 6.312 -8.236 -2.792 1.00 0.00 ATOM 1068 CA THR 132 6.584 -8.533 -4.197 1.00 0.00 ATOM 1069 CB THR 132 6.833 -7.255 -5.019 1.00 0.00 ATOM 1070 CG2 THR 132 5.536 -6.477 -5.187 1.00 0.00 ATOM 1071 OG1 THR 132 7.809 -6.439 -4.358 1.00 0.00 ATOM 1072 O THR 132 8.238 -9.647 -5.532 1.00 0.00 ATOM 1073 C THR 132 7.763 -9.483 -4.410 1.00 0.00 ATOM 1074 N VAL 133 8.244 -10.104 -3.338 1.00 0.00 ATOM 1075 CA VAL 133 9.334 -11.064 -3.446 1.00 0.00 ATOM 1076 CB VAL 133 9.742 -11.644 -2.057 1.00 0.00 ATOM 1077 CG1 VAL 133 10.909 -12.615 -2.211 1.00 0.00 ATOM 1078 CG2 VAL 133 10.135 -10.528 -1.093 1.00 0.00 ATOM 1079 O VAL 133 9.515 -12.582 -5.322 1.00 0.00 ATOM 1080 C VAL 133 8.857 -12.225 -4.336 1.00 0.00 ATOM 1081 N ASN 134 7.717 -12.810 -3.984 1.00 0.00 ATOM 1082 CA ASN 134 7.154 -13.935 -4.727 1.00 0.00 ATOM 1083 CB ASN 134 6.665 -15.021 -3.766 1.00 0.00 ATOM 1084 CG ASN 134 7.804 -15.746 -3.079 1.00 0.00 ATOM 1085 ND2 ASN 134 7.962 -15.503 -1.784 1.00 0.00 ATOM 1086 OD1 ASN 134 8.533 -16.517 -3.707 1.00 0.00 ATOM 1087 O ASN 134 5.104 -14.305 -5.930 1.00 0.00 ATOM 1088 C ASN 134 5.973 -13.496 -5.584 1.00 0.00 ATOM 1089 N GLY 135 5.979 -12.198 -5.937 1.00 0.00 ATOM 1090 CA GLY 135 4.865 -11.684 -6.726 1.00 0.00 ATOM 1091 O GLY 135 5.625 -9.534 -6.058 1.00 0.00 ATOM 1092 C GLY 135 4.766 -10.159 -6.654 1.00 0.00 ATOM 1093 N ILE 136 3.897 -9.580 -7.484 1.00 0.00 ATOM 1094 CA ILE 136 3.794 -8.105 -7.403 1.00 0.00 ATOM 1095 CB ILE 136 4.086 -7.434 -8.781 1.00 0.00 ATOM 1096 CG1 ILE 136 5.556 -7.636 -9.156 1.00 0.00 ATOM 1097 CG2 ILE 136 3.791 -5.973 -8.711 1.00 0.00 ATOM 1098 CD1 ILE 136 6.437 -7.490 -8.012 1.00 0.00 ATOM 1099 O ILE 136 1.410 -8.281 -7.506 1.00 0.00 ATOM 1100 C ILE 136 2.380 -7.839 -6.875 1.00 0.00 ATOM 1101 N SER 137 2.282 -7.116 -5.780 1.00 0.00 ATOM 1102 CA SER 137 0.996 -6.774 -5.195 1.00 0.00 ATOM 1103 CB SER 137 0.723 -5.263 -5.649 1.00 0.00 ATOM 1104 OG SER 137 -0.532 -4.861 -5.244 1.00 0.00 ATOM 1105 O SER 137 -1.056 -7.860 -4.611 1.00 0.00 ATOM 1106 C SER 137 0.169 -7.945 -4.672 1.00 0.00 ATOM 1107 N VAL 138 0.841 -9.037 -4.314 1.00 0.00 ATOM 1108 CA VAL 138 0.184 -10.225 -3.754 1.00 0.00 ATOM 1109 CB VAL 138 0.382 -11.458 -4.656 1.00 0.00 ATOM 1110 CG1 VAL 138 -0.401 -12.644 -4.117 1.00 0.00 ATOM 1111 CG2 VAL 138 -0.102 -11.166 -6.071 1.00 0.00 ATOM 1112 O VAL 138 1.703 -11.316 -2.233 1.00 0.00 ATOM 1113 C VAL 138 0.837 -10.448 -2.394 1.00 0.00 ATOM 1114 N PHE 139 0.412 -9.662 -1.401 1.00 0.00 ATOM 1115 CA PHE 139 0.983 -9.777 -0.046 1.00 0.00 ATOM 1116 CB PHE 139 0.420 -8.598 0.815 1.00 0.00 ATOM 1117 CG PHE 139 0.992 -8.547 2.194 1.00 0.00 ATOM 1118 CD1 PHE 139 2.231 -7.960 2.406 1.00 0.00 ATOM 1119 CD2 PHE 139 0.286 -9.116 3.244 1.00 0.00 ATOM 1120 CE1 PHE 139 2.785 -7.936 3.703 1.00 0.00 ATOM 1121 CE2 PHE 139 0.815 -9.102 4.550 1.00 0.00 ATOM 1122 CZ PHE 139 2.063 -8.507 4.751 1.00 0.00 ATOM 1123 O PHE 139 1.538 -11.771 1.198 1.00 0.00 ATOM 1124 C PHE 139 0.680 -11.110 0.590 1.00 0.00 ATOM 1125 N ALA 140 -0.602 -11.491 0.510 1.00 0.00 ATOM 1126 CA ALA 140 -1.043 -12.778 1.041 1.00 0.00 ATOM 1127 CB ALA 140 -2.637 -12.717 1.154 1.00 0.00 ATOM 1128 O ALA 140 -0.334 -15.055 0.806 1.00 0.00 ATOM 1129 C ALA 140 -0.486 -13.964 0.258 1.00 0.00 ATOM 1130 N ASN 141 -0.173 -13.771 -1.012 1.00 0.00 ATOM 1131 CA ASN 141 0.341 -14.852 -1.839 1.00 0.00 ATOM 1132 CB ASN 141 0.303 -14.511 -3.332 1.00 0.00 ATOM 1133 CG ASN 141 -0.953 -15.021 -4.021 1.00 0.00 ATOM 1134 ND2 ASN 141 -2.047 -14.247 -3.971 1.00 0.00 ATOM 1135 OD1 ASN 141 -0.969 -16.120 -4.563 1.00 0.00 ATOM 1136 O ASN 141 2.139 -16.351 -1.457 1.00 0.00 ATOM 1137 C ASN 141 1.768 -15.182 -1.402 1.00 0.00 ATOM 1138 N TYR 142 2.530 -14.205 -0.967 1.00 0.00 ATOM 1139 CA TYR 142 3.891 -14.415 -0.517 1.00 0.00 ATOM 1140 CB TYR 142 4.768 -13.258 -1.001 1.00 0.00 ATOM 1141 CG TYR 142 6.124 -13.263 -0.296 1.00 0.00 ATOM 1142 CD1 TYR 142 7.078 -14.225 -0.585 1.00 0.00 ATOM 1143 CD2 TYR 142 6.413 -12.278 0.642 1.00 0.00 ATOM 1144 CE1 TYR 142 8.289 -14.264 0.078 1.00 0.00 ATOM 1145 CE2 TYR 142 7.623 -12.334 1.300 1.00 0.00 ATOM 1146 CZ TYR 142 8.566 -13.284 1.003 1.00 0.00 ATOM 1147 OH TYR 142 9.775 -13.314 1.676 1.00 0.00 ATOM 1148 O TYR 142 4.463 -15.517 1.542 1.00 0.00 ATOM 1149 C TYR 142 3.927 -14.546 1.004 1.00 0.00 ATOM 1150 N ASP 143 3.321 -13.592 1.720 1.00 0.00 ATOM 1151 CA ASP 143 3.405 -13.639 3.189 1.00 0.00 ATOM 1152 CB ASP 143 4.487 -12.625 3.605 1.00 0.00 ATOM 1153 CG ASP 143 4.733 -12.666 5.102 1.00 0.00 ATOM 1154 OD1 ASP 143 4.191 -13.549 5.800 1.00 0.00 ATOM 1155 OD2 ASP 143 5.535 -11.813 5.554 1.00 0.00 ATOM 1156 O ASP 143 1.682 -12.121 3.784 1.00 0.00 ATOM 1157 C ASP 143 2.091 -13.285 3.841 1.00 0.00 ATOM 1158 N GLY 144 1.425 -14.279 4.394 1.00 0.00 ATOM 1159 CA GLY 144 0.099 -14.025 5.021 1.00 0.00 ATOM 1160 O GLY 144 -0.738 -14.798 2.888 1.00 0.00 ATOM 1161 C GLY 144 -0.981 -14.386 4.013 1.00 0.00 ATOM 1162 N PRO 145 -2.223 -14.234 4.460 1.00 0.00 ATOM 1163 CA PRO 145 -3.393 -14.557 3.675 1.00 0.00 ATOM 1164 CB PRO 145 -4.496 -14.562 4.689 1.00 0.00 ATOM 1165 CG PRO 145 -4.064 -13.476 5.653 1.00 0.00 ATOM 1166 CD PRO 145 -2.592 -13.840 5.816 1.00 0.00 ATOM 1167 O PRO 145 -4.387 -14.081 1.629 1.00 0.00 ATOM 1168 C PRO 145 -3.660 -13.644 2.512 1.00 0.00 ATOM 1169 N GLY 146 -3.115 -12.433 2.478 1.00 0.00 ATOM 1170 CA GLY 146 -3.397 -11.539 1.365 1.00 0.00 ATOM 1171 O GLY 146 -5.344 -10.909 2.596 1.00 0.00 ATOM 1172 C GLY 146 -4.795 -10.954 1.488 1.00 0.00 ATOM 1173 N GLN 147 -5.409 -10.503 0.388 1.00 0.00 ATOM 1174 CA GLN 147 -6.736 -9.895 0.449 1.00 0.00 ATOM 1175 CB GLN 147 -6.993 -8.958 -0.767 1.00 0.00 ATOM 1176 CG GLN 147 -6.704 -9.568 -2.136 1.00 0.00 ATOM 1177 CD GLN 147 -7.652 -9.231 -3.292 1.00 0.00 ATOM 1178 OE1 GLN 147 -7.270 -9.278 -4.479 1.00 0.00 ATOM 1179 NE2 GLN 147 -8.925 -8.931 -2.994 1.00 0.00 ATOM 1180 O GLN 147 -7.712 -12.048 -0.037 1.00 0.00 ATOM 1181 C GLN 147 -7.844 -10.935 0.500 1.00 0.00 ATOM 1182 N ASP 148 -8.957 -10.484 1.100 1.00 0.00 ATOM 1183 CA ASP 148 -10.196 -11.242 1.260 1.00 0.00 ATOM 1184 CB ASP 148 -11.235 -10.370 1.979 1.00 0.00 ATOM 1185 CG ASP 148 -11.828 -9.193 1.152 1.00 0.00 ATOM 1186 OD1 ASP 148 -11.070 -8.340 0.641 1.00 0.00 ATOM 1187 OD2 ASP 148 -13.066 -9.165 0.989 1.00 0.00 ATOM 1188 O ASP 148 -10.858 -10.770 -1.028 1.00 0.00 ATOM 1189 C ASP 148 -10.712 -11.619 -0.132 1.00 0.00 ATOM 1190 N ARG 149 -10.939 -12.852 -0.464 1.00 0.00 ATOM 1191 CA ARG 149 -11.442 -13.201 -1.786 1.00 0.00 ATOM 1192 CB ARG 149 -13.117 -13.050 -1.566 1.00 0.00 ATOM 1193 CG ARG 149 -13.616 -12.917 -0.144 1.00 0.00 ATOM 1194 CD ARG 149 -13.933 -14.234 0.516 1.00 0.00 ATOM 1195 NE ARG 149 -15.158 -14.861 0.001 1.00 0.00 ATOM 1196 CZ ARG 149 -16.310 -14.812 0.669 1.00 0.00 ATOM 1197 NH1 ARG 149 -16.389 -14.174 1.842 1.00 0.00 ATOM 1198 NH2 ARG 149 -17.394 -15.393 0.169 1.00 0.00 ATOM 1199 O ARG 149 -10.890 -12.209 -3.924 1.00 0.00 ATOM 1200 C ARG 149 -10.467 -12.749 -2.883 1.00 0.00 ATOM 1201 N VAL 150 -9.166 -12.977 -2.607 1.00 0.00 ATOM 1202 CA VAL 150 -8.115 -12.617 -3.579 1.00 0.00 ATOM 1203 CB VAL 150 -6.760 -13.434 -2.996 1.00 0.00 ATOM 1204 CG1 VAL 150 -5.405 -12.907 -3.429 1.00 0.00 ATOM 1205 CG2 VAL 150 -6.829 -13.711 -1.505 1.00 0.00 ATOM 1206 O VAL 150 -8.217 -13.086 -5.956 1.00 0.00 ATOM 1207 C VAL 150 -8.262 -13.543 -4.802 1.00 0.00 ATOM 1208 N LEU 151 -8.475 -14.833 -4.587 1.00 0.00 ATOM 1209 CA LEU 151 -8.663 -15.760 -5.695 1.00 0.00 ATOM 1210 CB LEU 151 -8.771 -17.222 -5.209 1.00 0.00 ATOM 1211 CG LEU 151 -9.037 -18.270 -6.305 1.00 0.00 ATOM 1212 CD1 LEU 151 -7.920 -18.291 -7.340 1.00 0.00 ATOM 1213 CD2 LEU 151 -9.257 -19.658 -5.707 1.00 0.00 ATOM 1214 O LEU 151 -9.927 -15.123 -7.671 1.00 0.00 ATOM 1215 C LEU 151 -9.947 -15.420 -6.470 1.00 0.00 ATOM 1216 N PHE 152 -11.074 -15.421 -5.748 1.00 0.00 ATOM 1217 CA PHE 152 -12.375 -15.144 -6.346 1.00 0.00 ATOM 1218 CB PHE 152 -13.486 -15.206 -5.279 1.00 0.00 ATOM 1219 CG PHE 152 -14.886 -14.938 -5.818 1.00 0.00 ATOM 1220 CD1 PHE 152 -15.582 -15.934 -6.487 1.00 0.00 ATOM 1221 CD2 PHE 152 -15.483 -13.692 -5.686 1.00 0.00 ATOM 1222 CE1 PHE 152 -16.855 -15.703 -7.015 1.00 0.00 ATOM 1223 CE2 PHE 152 -16.761 -13.441 -6.212 1.00 0.00 ATOM 1224 CZ PHE 152 -17.446 -14.458 -6.880 1.00 0.00 ATOM 1225 O PHE 152 -12.826 -13.576 -8.116 1.00 0.00 ATOM 1226 C PHE 152 -12.371 -13.756 -6.989 1.00 0.00 ATOM 1227 N VAL 153 -11.861 -12.768 -6.259 1.00 0.00 ATOM 1228 CA VAL 153 -11.829 -11.412 -6.785 1.00 0.00 ATOM 1229 CB VAL 153 -11.562 -10.470 -5.514 1.00 0.00 ATOM 1230 CG1 VAL 153 -11.215 -9.033 -5.893 1.00 0.00 ATOM 1231 CG2 VAL 153 -12.753 -10.516 -4.557 1.00 0.00 ATOM 1232 O VAL 153 -11.190 -10.432 -8.858 1.00 0.00 ATOM 1233 C VAL 153 -10.882 -11.201 -7.958 1.00 0.00 ATOM 1234 N LYS 154 -9.729 -11.860 -7.989 1.00 0.00 ATOM 1235 CA LYS 154 -8.808 -11.731 -9.120 1.00 0.00 ATOM 1236 CB LYS 154 -7.462 -12.444 -8.760 1.00 0.00 ATOM 1237 CG LYS 154 -6.558 -11.516 -7.978 1.00 0.00 ATOM 1238 CD LYS 154 -5.564 -12.252 -7.089 1.00 0.00 ATOM 1239 CE LYS 154 -4.817 -11.210 -6.238 1.00 0.00 ATOM 1240 NZ LYS 154 -4.888 -11.578 -4.796 1.00 0.00 ATOM 1241 O LYS 154 -9.180 -11.696 -11.488 1.00 0.00 ATOM 1242 C LYS 154 -9.434 -12.243 -10.409 1.00 0.00 ATOM 1243 N ASN 155 -10.268 -13.284 -10.341 1.00 0.00 ATOM 1244 CA ASN 155 -10.938 -13.799 -11.532 1.00 0.00 ATOM 1245 CB ASN 155 -10.714 -15.296 -11.658 1.00 0.00 ATOM 1246 CG ASN 155 -9.268 -15.634 -11.944 1.00 0.00 ATOM 1247 ND2 ASN 155 -8.724 -16.593 -11.201 1.00 0.00 ATOM 1248 OD1 ASN 155 -8.640 -15.028 -12.811 1.00 0.00 ATOM 1249 O ASN 155 -13.164 -14.087 -12.418 1.00 0.00 ATOM 1250 C ASN 155 -12.431 -13.450 -11.662 1.00 0.00 ATOM 1251 N ILE 156 -12.861 -12.415 -10.955 1.00 0.00 ATOM 1252 CA ILE 156 -14.227 -11.919 -11.096 1.00 0.00 ATOM 1253 CB ILE 156 -14.500 -10.782 -10.078 1.00 0.00 ATOM 1254 CG1 ILE 156 -14.425 -11.343 -8.660 1.00 0.00 ATOM 1255 CG2 ILE 156 -15.869 -10.160 -10.326 1.00 0.00 ATOM 1256 CD1 ILE 156 -14.511 -10.301 -7.581 1.00 0.00 ATOM 1257 O ILE 156 -13.689 -10.506 -12.953 1.00 0.00 ATOM 1258 C ILE 156 -14.455 -11.400 -12.518 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:47:08 2002 Date: Thu, 5 Sep 2002 15:47:03 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Thu Sep 5 15:16:30 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_395880_42094 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_3 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 3 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 3 PARENT N/A ATOM 1 N MET 1 1.649 -16.179 1.642 1.00 0.00 ATOM 2 CA MET 1 0.333 -16.714 1.196 1.00 0.00 ATOM 3 CB MET 1 0.827 -18.291 0.737 1.00 0.00 ATOM 4 CG MET 1 -0.137 -19.171 -0.022 1.00 0.00 ATOM 5 SD MET 1 0.401 -19.460 -1.724 1.00 0.00 ATOM 6 CE MET 1 1.993 -18.594 -1.789 1.00 0.00 ATOM 7 O MET 1 -1.830 -16.988 2.206 1.00 0.00 ATOM 8 C MET 1 -0.769 -16.372 2.195 1.00 0.00 ATOM 9 N ASP 2 -0.434 -15.404 3.062 1.00 0.00 ATOM 10 CA ASP 2 -1.350 -14.980 4.086 1.00 0.00 ATOM 11 CB ASP 2 -1.173 -15.827 5.348 1.00 0.00 ATOM 12 CG ASP 2 0.199 -15.663 5.971 1.00 0.00 ATOM 13 OD1 ASP 2 0.602 -16.542 6.762 1.00 0.00 ATOM 14 OD2 ASP 2 0.872 -14.655 5.670 1.00 0.00 ATOM 15 O ASP 2 -0.034 -13.018 3.965 1.00 0.00 ATOM 16 C ASP 2 -1.047 -13.528 4.390 1.00 0.00 ATOM 17 N ILE 3 -1.938 -12.851 5.101 1.00 0.00 ATOM 18 CA ILE 3 -1.776 -11.452 5.415 1.00 0.00 ATOM 19 CB ILE 3 -2.812 -10.585 4.676 1.00 0.00 ATOM 20 CG1 ILE 3 -2.553 -9.099 4.943 1.00 0.00 ATOM 21 CG2 ILE 3 -4.220 -10.919 5.144 1.00 0.00 ATOM 22 CD1 ILE 3 -3.321 -8.171 4.028 1.00 0.00 ATOM 23 O ILE 3 -2.822 -11.883 7.519 1.00 0.00 ATOM 24 C ILE 3 -1.959 -11.259 6.920 1.00 0.00 ATOM 25 N ARG 4 -1.153 -10.381 7.501 1.00 0.00 ATOM 26 CA ARG 4 -1.178 -10.067 8.912 1.00 0.00 ATOM 27 CB ARG 4 -0.079 -10.744 9.716 1.00 0.00 ATOM 28 CG ARG 4 -0.218 -10.449 11.228 1.00 0.00 ATOM 29 CD ARG 4 0.939 -11.155 11.962 1.00 0.00 ATOM 30 NE ARG 4 0.771 -12.631 11.766 1.00 0.00 ATOM 31 CZ ARG 4 1.769 -13.430 12.280 1.00 0.00 ATOM 32 NH1 ARG 4 2.795 -12.912 12.938 1.00 0.00 ATOM 33 NH2 ARG 4 1.641 -14.762 12.149 1.00 0.00 ATOM 34 O ARG 4 -0.059 -8.070 8.181 1.00 0.00 ATOM 35 C ARG 4 -0.606 -8.653 9.109 1.00 0.00 ATOM 36 N THR 5 -0.742 -8.115 10.315 1.00 0.00 ATOM 37 CA THR 5 -0.171 -6.813 10.643 1.00 0.00 ATOM 38 CB THR 5 -0.621 -6.335 12.036 1.00 0.00 ATOM 39 CG2 THR 5 -2.134 -6.187 12.087 1.00 0.00 ATOM 40 OG1 THR 5 -0.214 -7.287 13.025 1.00 0.00 ATOM 41 O THR 5 1.929 -7.979 10.880 1.00 0.00 ATOM 42 C THR 5 1.353 -6.919 10.630 1.00 0.00 ATOM 43 N ILE 6 2.003 -5.796 10.363 1.00 0.00 ATOM 44 CA ILE 6 3.438 -5.747 10.333 1.00 0.00 ATOM 45 CB ILE 6 3.949 -4.387 9.822 1.00 0.00 ATOM 46 CG1 ILE 6 5.436 -4.470 9.475 1.00 0.00 ATOM 47 CG2 ILE 6 3.759 -3.313 10.883 1.00 0.00 ATOM 48 CD1 ILE 6 5.948 -3.283 8.688 1.00 0.00 ATOM 49 O ILE 6 3.348 -5.656 12.727 1.00 0.00 ATOM 50 C ILE 6 3.990 -5.968 11.739 1.00 0.00 ATOM 51 N THR 7 5.198 -6.499 11.836 1.00 0.00 ATOM 52 CA THR 7 5.791 -6.716 13.151 1.00 0.00 ATOM 53 CB THR 7 5.851 -8.213 13.504 1.00 0.00 ATOM 54 CG2 THR 7 4.461 -8.827 13.460 1.00 0.00 ATOM 55 OG1 THR 7 6.690 -8.895 12.564 1.00 0.00 ATOM 56 O THR 7 7.785 -5.922 12.097 1.00 0.00 ATOM 57 C THR 7 7.197 -6.160 13.156 1.00 0.00 ATOM 58 N SER 8 7.730 -5.967 14.358 1.00 0.00 ATOM 59 CA SER 8 9.076 -5.453 14.563 1.00 0.00 ATOM 60 CB SER 8 9.462 -5.535 16.041 1.00 0.00 ATOM 61 OG SER 8 8.649 -4.685 16.829 1.00 0.00 ATOM 62 O SER 8 11.052 -5.614 13.279 1.00 0.00 ATOM 63 C SER 8 10.120 -6.208 13.790 1.00 0.00 ATOM 64 N SER 9 9.973 -7.525 13.714 1.00 0.00 ATOM 65 CA SER 9 10.928 -8.333 12.964 1.00 0.00 ATOM 66 CB SER 9 10.720 -9.820 13.257 1.00 0.00 ATOM 67 OG SER 9 9.471 -10.268 12.759 1.00 0.00 ATOM 68 O SER 9 11.697 -8.715 10.766 1.00 0.00 ATOM 69 C SER 9 10.840 -8.183 11.459 1.00 0.00 ATOM 70 N ASP 10 9.838 -7.461 10.932 1.00 0.00 ATOM 71 CA ASP 10 9.722 -7.300 9.457 1.00 0.00 ATOM 72 CB ASP 10 8.298 -6.894 9.071 1.00 0.00 ATOM 73 CG ASP 10 7.297 -8.011 9.283 1.00 0.00 ATOM 74 OD1 ASP 10 6.314 -8.081 8.513 1.00 0.00 ATOM 75 OD2 ASP 10 7.492 -8.816 10.218 1.00 0.00 ATOM 76 O ASP 10 10.719 -6.033 7.684 1.00 0.00 ATOM 77 C ASP 10 10.676 -6.216 8.880 1.00 0.00 ATOM 78 N TYR 11 11.448 -5.519 9.707 1.00 0.00 ATOM 79 CA TYR 11 12.290 -4.442 9.167 1.00 0.00 ATOM 80 CB TYR 11 13.409 -4.113 10.168 1.00 0.00 ATOM 81 CG TYR 11 14.382 -3.082 9.656 1.00 0.00 ATOM 82 CD1 TYR 11 14.111 -1.723 9.781 1.00 0.00 ATOM 83 CD2 TYR 11 15.540 -3.465 8.994 1.00 0.00 ATOM 84 CE1 TYR 11 14.964 -0.779 9.253 1.00 0.00 ATOM 85 CE2 TYR 11 16.394 -2.527 8.461 1.00 0.00 ATOM 86 CZ TYR 11 16.101 -1.186 8.592 1.00 0.00 ATOM 87 OH TYR 11 16.941 -0.241 8.044 1.00 0.00 ATOM 88 O TYR 11 12.856 -3.964 6.914 1.00 0.00 ATOM 89 C TYR 11 13.048 -4.675 7.860 1.00 0.00 ATOM 90 N GLU 12 13.920 -5.663 7.807 1.00 0.00 ATOM 91 CA GLU 12 14.677 -5.955 6.597 1.00 0.00 ATOM 92 CB GLU 12 15.462 -7.258 6.756 1.00 0.00 ATOM 93 CG GLU 12 16.295 -7.635 5.542 1.00 0.00 ATOM 94 CD GLU 12 17.097 -8.903 5.756 1.00 0.00 ATOM 95 OE1 GLU 12 16.999 -9.489 6.854 1.00 0.00 ATOM 96 OE2 GLU 12 17.822 -9.310 4.826 1.00 0.00 ATOM 97 O GLU 12 13.968 -5.374 4.412 1.00 0.00 ATOM 98 C GLU 12 13.812 -6.109 5.380 1.00 0.00 ATOM 99 N MET 13 12.905 -7.080 5.428 1.00 0.00 ATOM 100 CA MET 13 12.062 -7.371 4.281 1.00 0.00 ATOM 101 CB MET 13 11.138 -8.553 4.581 1.00 0.00 ATOM 102 CG MET 13 11.856 -9.887 4.700 1.00 0.00 ATOM 103 SD MET 13 12.693 -10.364 3.176 1.00 0.00 ATOM 104 CE MET 13 11.295 -10.675 2.103 1.00 0.00 ATOM 105 O MET 13 10.945 -6.142 2.593 1.00 0.00 ATOM 106 C MET 13 11.133 -6.285 3.787 1.00 0.00 ATOM 107 N VAL 14 10.579 -5.532 4.721 1.00 0.00 ATOM 108 CA VAL 14 9.677 -4.431 4.462 1.00 0.00 ATOM 109 CB VAL 14 9.007 -3.934 5.756 1.00 0.00 ATOM 110 CG1 VAL 14 8.210 -2.667 5.491 1.00 0.00 ATOM 111 CG2 VAL 14 8.059 -4.992 6.305 1.00 0.00 ATOM 112 O VAL 14 10.023 -2.716 2.868 1.00 0.00 ATOM 113 C VAL 14 10.455 -3.284 3.852 1.00 0.00 ATOM 114 N THR 15 11.605 -2.935 4.408 1.00 0.00 ATOM 115 CA THR 15 12.366 -1.847 3.796 1.00 0.00 ATOM 116 CB THR 15 13.647 -1.534 4.593 1.00 0.00 ATOM 117 CG2 THR 15 14.443 -0.433 3.913 1.00 0.00 ATOM 118 OG1 THR 15 13.299 -1.107 5.916 1.00 0.00 ATOM 119 O THR 15 12.740 -1.474 1.430 1.00 0.00 ATOM 120 C THR 15 12.744 -2.276 2.390 1.00 0.00 ATOM 121 N SER 16 13.046 -3.554 2.245 1.00 0.00 ATOM 122 CA SER 16 13.410 -4.050 0.946 1.00 0.00 ATOM 123 CB SER 16 13.829 -5.519 1.031 1.00 0.00 ATOM 124 OG SER 16 15.019 -5.667 1.787 1.00 0.00 ATOM 125 O SER 16 12.451 -3.550 -1.199 1.00 0.00 ATOM 126 C SER 16 12.240 -3.955 -0.055 1.00 0.00 ATOM 127 N VAL 17 11.010 -4.300 0.332 1.00 0.00 ATOM 128 CA VAL 17 9.953 -4.203 -0.674 1.00 0.00 ATOM 129 CB VAL 17 8.638 -4.953 -0.227 1.00 0.00 ATOM 130 CG1 VAL 17 8.846 -6.473 -0.229 1.00 0.00 ATOM 131 CG2 VAL 17 8.191 -4.486 1.161 1.00 0.00 ATOM 132 O VAL 17 8.973 -2.441 -1.974 1.00 0.00 ATOM 133 C VAL 17 9.451 -2.761 -0.888 1.00 0.00 ATOM 134 N LEU 18 9.634 -1.892 0.117 1.00 0.00 ATOM 135 CA LEU 18 9.230 -0.488 0.029 1.00 0.00 ATOM 136 CB LEU 18 8.974 -0.034 1.560 1.00 0.00 ATOM 137 CG LEU 18 8.498 1.392 1.901 1.00 0.00 ATOM 138 CD1 LEU 18 9.656 2.397 1.809 1.00 0.00 ATOM 139 CD2 LEU 18 7.357 1.814 1.004 1.00 0.00 ATOM 140 O LEU 18 9.770 1.317 -1.428 1.00 0.00 ATOM 141 C LEU 18 10.153 0.269 -0.903 1.00 0.00 ATOM 142 N ASN 19 11.360 -0.268 -1.104 1.00 0.00 ATOM 143 CA ASN 19 12.340 0.373 -1.983 1.00 0.00 ATOM 144 CB ASN 19 13.621 -0.460 -2.055 1.00 0.00 ATOM 145 CG ASN 19 14.738 0.249 -2.794 1.00 0.00 ATOM 146 ND2 ASN 19 15.189 -0.346 -3.891 1.00 0.00 ATOM 147 OD1 ASN 19 15.186 1.319 -2.380 1.00 0.00 ATOM 148 O ASN 19 12.127 1.403 -4.138 1.00 0.00 ATOM 149 C ASN 19 11.772 0.511 -3.388 1.00 0.00 ATOM 150 N GLU 20 10.904 -0.410 -3.737 1.00 0.00 ATOM 151 CA GLU 20 10.256 -0.457 -5.041 1.00 0.00 ATOM 152 CB GLU 20 9.567 -1.825 -5.212 1.00 0.00 ATOM 153 CG GLU 20 8.878 -2.069 -6.575 1.00 0.00 ATOM 154 CD GLU 20 9.818 -2.102 -7.784 1.00 0.00 ATOM 155 OE1 GLU 20 9.358 -2.557 -8.855 1.00 0.00 ATOM 156 OE2 GLU 20 10.996 -1.666 -7.700 1.00 0.00 ATOM 157 O GLU 20 9.133 1.263 -6.307 1.00 0.00 ATOM 158 C GLU 20 9.401 0.810 -5.214 1.00 0.00 ATOM 159 N TRP 21 8.981 1.381 -4.103 1.00 0.00 ATOM 160 CA TRP 21 8.148 2.555 -4.132 1.00 0.00 ATOM 161 CB TRP 21 7.242 2.598 -2.901 1.00 0.00 ATOM 162 CG TRP 21 6.268 3.738 -2.912 1.00 0.00 ATOM 163 CD1 TRP 21 5.045 3.765 -3.517 1.00 0.00 ATOM 164 CD2 TRP 21 6.438 5.017 -2.291 1.00 0.00 ATOM 165 CE2 TRP 21 5.277 5.769 -2.561 1.00 0.00 ATOM 166 CE3 TRP 21 7.457 5.603 -1.534 1.00 0.00 ATOM 167 NE1 TRP 21 4.441 4.979 -3.312 1.00 0.00 ATOM 168 CZ2 TRP 21 5.106 7.074 -2.100 1.00 0.00 ATOM 169 CZ3 TRP 21 7.284 6.896 -1.080 1.00 0.00 ATOM 170 CH2 TRP 21 6.120 7.619 -1.363 1.00 0.00 ATOM 171 O TRP 21 8.832 4.689 -4.946 1.00 0.00 ATOM 172 C TRP 21 9.027 3.797 -4.146 1.00 0.00 ATOM 173 N TRP 22 10.018 3.855 -3.274 1.00 0.00 ATOM 174 CA TRP 22 10.838 5.039 -3.215 1.00 0.00 ATOM 175 CB TRP 22 10.052 6.205 -2.614 1.00 0.00 ATOM 176 CG TRP 22 10.773 7.516 -2.688 1.00 0.00 ATOM 177 CD1 TRP 22 11.397 8.166 -1.660 1.00 0.00 ATOM 178 CD2 TRP 22 10.947 8.337 -3.848 1.00 0.00 ATOM 179 CE2 TRP 22 11.685 9.469 -3.452 1.00 0.00 ATOM 180 CE3 TRP 22 10.548 8.226 -5.184 1.00 0.00 ATOM 181 NE1 TRP 22 11.949 9.342 -2.111 1.00 0.00 ATOM 182 CZ2 TRP 22 12.034 10.483 -4.343 1.00 0.00 ATOM 183 CZ3 TRP 22 10.897 9.232 -6.064 1.00 0.00 ATOM 184 CH2 TRP 22 11.631 10.348 -5.644 1.00 0.00 ATOM 185 O TRP 22 12.508 3.667 -2.232 1.00 0.00 ATOM 186 C TRP 22 12.061 4.799 -2.361 1.00 0.00 ATOM 187 N GLY 23 12.595 5.874 -1.780 1.00 0.00 ATOM 188 CA GLY 23 13.764 5.804 -0.920 1.00 0.00 ATOM 189 O GLY 23 12.497 6.260 1.084 1.00 0.00 ATOM 190 C GLY 23 13.339 5.550 0.521 1.00 0.00 ATOM 191 N GLY 24 13.927 4.521 1.125 1.00 0.00 ATOM 192 CA GLY 24 13.570 4.189 2.500 1.00 0.00 ATOM 193 O GLY 24 14.271 5.099 4.605 1.00 0.00 ATOM 194 C GLY 24 14.614 4.670 3.500 1.00 0.00 ATOM 195 N ARG 25 15.884 4.606 3.117 1.00 0.00 ATOM 196 CA ARG 25 16.928 5.075 4.006 1.00 0.00 ATOM 197 CB ARG 25 16.500 6.371 4.696 1.00 0.00 ATOM 198 CG ARG 25 16.324 7.549 3.753 1.00 0.00 ATOM 199 CD ARG 25 15.880 8.796 4.501 1.00 0.00 ATOM 200 NE ARG 25 15.688 9.934 3.606 1.00 0.00 ATOM 201 CZ ARG 25 15.215 11.114 3.988 1.00 0.00 ATOM 202 NH1 ARG 25 15.074 12.091 3.103 1.00 0.00 ATOM 203 NH2 ARG 25 14.881 11.316 5.255 1.00 0.00 ATOM 204 O ARG 25 16.998 2.976 5.224 1.00 0.00 ATOM 205 C ARG 25 17.354 4.156 5.143 1.00 0.00 ATOM 206 N GLN 26 18.161 4.720 6.032 1.00 0.00 ATOM 207 CA GLN 26 18.682 3.999 7.189 1.00 0.00 ATOM 208 CB GLN 26 19.946 4.677 7.718 1.00 0.00 ATOM 209 CG GLN 26 20.604 3.944 8.874 1.00 0.00 ATOM 210 CD GLN 26 21.888 4.610 9.331 1.00 0.00 ATOM 211 OE1 GLN 26 22.291 5.639 8.789 1.00 0.00 ATOM 212 NE2 GLN 26 22.537 4.020 10.329 1.00 0.00 ATOM 213 O GLN 26 17.069 5.024 8.626 1.00 0.00 ATOM 214 C GLN 26 17.629 3.984 8.286 1.00 0.00 ATOM 215 N LEU 27 17.340 2.819 8.846 1.00 0.00 ATOM 216 CA LEU 27 16.374 2.702 9.919 1.00 0.00 ATOM 217 CB LEU 27 15.146 1.901 9.447 1.00 0.00 ATOM 218 CG LEU 27 14.101 2.543 8.518 1.00 0.00 ATOM 219 CD1 LEU 27 14.729 2.986 7.230 1.00 0.00 ATOM 220 CD2 LEU 27 12.987 1.543 8.221 1.00 0.00 ATOM 221 O LEU 27 18.101 1.307 10.819 1.00 0.00 ATOM 222 C LEU 27 17.064 1.933 11.033 1.00 0.00 ATOM 223 N LYS 28 16.503 1.997 12.222 1.00 0.00 ATOM 224 CA LYS 28 17.070 1.273 13.361 1.00 0.00 ATOM 225 CB LYS 28 17.735 2.246 14.337 1.00 0.00 ATOM 226 CG LYS 28 18.927 2.989 13.761 1.00 0.00 ATOM 227 CD LYS 28 19.545 3.924 14.785 1.00 0.00 ATOM 228 CE LYS 28 20.738 4.666 14.208 1.00 0.00 ATOM 229 NZ LYS 28 21.347 5.597 15.198 1.00 0.00 ATOM 230 O LYS 28 14.738 0.870 13.952 1.00 0.00 ATOM 231 C LYS 28 15.937 0.514 14.090 1.00 0.00 ATOM 232 N GLU 29 16.366 -0.510 14.824 1.00 0.00 ATOM 233 CA GLU 29 15.449 -1.288 15.660 1.00 0.00 ATOM 234 CB GLU 29 16.230 -2.126 16.676 1.00 0.00 ATOM 235 CG GLU 29 17.044 -3.250 16.060 1.00 0.00 ATOM 236 CD GLU 29 17.845 -4.023 17.088 1.00 0.00 ATOM 237 OE1 GLU 29 17.801 -3.647 18.278 1.00 0.00 ATOM 238 OE2 GLU 29 18.515 -5.005 16.706 1.00 0.00 ATOM 239 O GLU 29 13.348 -0.798 16.724 1.00 0.00 ATOM 240 C GLU 29 14.485 -0.406 16.442 1.00 0.00 ATOM 241 N LYS 30 14.924 0.784 16.804 1.00 0.00 ATOM 242 CA LYS 30 14.051 1.668 17.576 1.00 0.00 ATOM 243 CB LYS 30 14.855 2.814 18.192 1.00 0.00 ATOM 244 CG LYS 30 14.035 3.755 19.059 1.00 0.00 ATOM 245 CD LYS 30 14.905 4.834 19.679 1.00 0.00 ATOM 246 CE LYS 30 14.081 5.784 20.533 1.00 0.00 ATOM 247 NZ LYS 30 14.922 6.841 21.158 1.00 0.00 ATOM 248 O LYS 30 11.797 2.308 17.100 1.00 0.00 ATOM 249 C LYS 30 12.960 2.278 16.719 1.00 0.00 ATOM 250 N LEU 31 13.357 2.787 15.567 1.00 0.00 ATOM 251 CA LEU 31 12.365 3.400 14.647 1.00 0.00 ATOM 252 CB LEU 31 13.042 4.307 13.646 1.00 0.00 ATOM 253 CG LEU 31 13.231 5.787 14.086 1.00 0.00 ATOM 254 CD1 LEU 31 14.234 5.899 15.225 1.00 0.00 ATOM 255 CD2 LEU 31 13.528 6.662 12.890 1.00 0.00 ATOM 256 O LEU 31 10.270 2.466 14.170 1.00 0.00 ATOM 257 C LEU 31 11.486 2.330 14.030 1.00 0.00 ATOM 258 N PRO 32 11.975 1.297 13.366 1.00 0.00 ATOM 259 CA PRO 32 11.081 0.261 12.849 1.00 0.00 ATOM 260 CB PRO 32 11.928 -0.758 12.105 1.00 0.00 ATOM 261 CG PRO 32 13.339 -0.160 12.033 1.00 0.00 ATOM 262 CD PRO 32 13.379 1.044 12.980 1.00 0.00 ATOM 263 O PRO 32 9.016 -0.595 13.634 1.00 0.00 ATOM 264 C PRO 32 10.179 -0.341 13.905 1.00 0.00 ATOM 265 N ARG 33 10.671 -0.622 15.114 1.00 0.00 ATOM 266 CA ARG 33 9.819 -1.175 16.172 1.00 0.00 ATOM 267 CB ARG 33 10.646 -1.462 17.427 1.00 0.00 ATOM 268 CG ARG 33 11.604 -2.633 17.286 1.00 0.00 ATOM 269 CD ARG 33 12.406 -2.849 18.559 1.00 0.00 ATOM 270 NE ARG 33 13.347 -3.959 18.432 1.00 0.00 ATOM 271 CZ ARG 33 14.230 -4.300 19.366 1.00 0.00 ATOM 272 NH1 ARG 33 15.046 -5.325 19.164 1.00 0.00 ATOM 273 NH2 ARG 33 14.294 -3.615 20.499 1.00 0.00 ATOM 274 O ARG 33 7.592 -0.575 16.870 1.00 0.00 ATOM 275 C ARG 33 8.711 -0.184 16.537 1.00 0.00 ATOM 276 N LEU 34 9.031 1.101 16.498 1.00 0.00 ATOM 277 CA LEU 34 8.036 2.119 16.793 1.00 0.00 ATOM 278 CB LEU 34 8.700 3.489 16.942 1.00 0.00 ATOM 279 CG LEU 34 9.564 3.693 18.190 1.00 0.00 ATOM 280 CD1 LEU 34 10.260 5.043 18.146 1.00 0.00 ATOM 281 CD2 LEU 34 8.711 3.639 19.448 1.00 0.00 ATOM 282 O LEU 34 5.869 2.139 15.790 1.00 0.00 ATOM 283 C LEU 34 7.078 2.099 15.609 1.00 0.00 ATOM 284 N PHE 35 7.614 2.047 14.392 1.00 0.00 ATOM 285 CA PHE 35 6.783 1.997 13.192 1.00 0.00 ATOM 286 CB PHE 35 7.654 1.259 12.027 1.00 0.00 ATOM 287 CG PHE 35 7.213 1.426 10.598 1.00 0.00 ATOM 288 CD1 PHE 35 7.278 2.665 9.975 1.00 0.00 ATOM 289 CD2 PHE 35 6.720 0.348 9.884 1.00 0.00 ATOM 290 CE1 PHE 35 6.853 2.824 8.661 1.00 0.00 ATOM 291 CE2 PHE 35 6.292 0.499 8.568 1.00 0.00 ATOM 292 CZ PHE 35 6.359 1.739 7.959 1.00 0.00 ATOM 293 O PHE 35 4.744 0.757 12.898 1.00 0.00 ATOM 294 C PHE 35 5.944 0.721 13.200 1.00 0.00 ATOM 295 N PHE 36 6.550 -0.429 13.531 1.00 0.00 ATOM 296 CA PHE 36 5.812 -1.691 13.552 1.00 0.00 ATOM 297 CB PHE 36 6.791 -2.865 13.567 1.00 0.00 ATOM 298 CG PHE 36 7.698 -2.906 12.352 1.00 0.00 ATOM 299 CD1 PHE 36 8.948 -2.270 12.347 1.00 0.00 ATOM 300 CD2 PHE 36 7.282 -3.581 11.205 1.00 0.00 ATOM 301 CE1 PHE 36 9.774 -2.326 11.191 1.00 0.00 ATOM 302 CE2 PHE 36 8.086 -3.637 10.063 1.00 0.00 ATOM 303 CZ PHE 36 9.345 -3.004 10.056 1.00 0.00 ATOM 304 O PHE 36 3.713 -2.231 14.571 1.00 0.00 ATOM 305 C PHE 36 4.846 -1.763 14.722 1.00 0.00 ATOM 306 N GLU 37 5.309 -1.313 15.893 1.00 0.00 ATOM 307 CA GLU 37 4.463 -1.283 17.075 1.00 0.00 ATOM 308 CB GLU 37 5.148 -0.529 18.218 1.00 0.00 ATOM 309 CG GLU 37 4.317 -0.551 19.481 1.00 0.00 ATOM 310 CD GLU 37 4.840 0.350 20.585 1.00 0.00 ATOM 311 OE1 GLU 37 6.060 0.380 20.840 1.00 0.00 ATOM 312 OE2 GLU 37 4.002 1.012 21.219 1.00 0.00 ATOM 313 O GLU 37 2.054 -1.355 17.224 1.00 0.00 ATOM 314 C GLU 37 3.048 -0.711 16.868 1.00 0.00 ATOM 315 N HIS 38 2.928 0.478 16.296 1.00 0.00 ATOM 316 CA HIS 38 1.632 1.106 16.091 1.00 0.00 ATOM 317 CB HIS 38 1.469 2.316 17.027 1.00 0.00 ATOM 318 CG HIS 38 0.982 1.929 18.390 1.00 0.00 ATOM 319 CD2 HIS 38 1.643 1.862 19.573 1.00 0.00 ATOM 320 ND1 HIS 38 -0.282 1.430 18.642 1.00 0.00 ATOM 321 CE1 HIS 38 -0.343 1.064 19.923 1.00 0.00 ATOM 322 NE2 HIS 38 0.799 1.309 20.526 1.00 0.00 ATOM 323 O HIS 38 0.425 2.308 14.392 1.00 0.00 ATOM 324 C HIS 38 1.298 1.472 14.639 1.00 0.00 ATOM 325 N PHE 39 1.986 0.863 13.674 1.00 0.00 ATOM 326 CA PHE 39 1.682 1.136 12.264 1.00 0.00 ATOM 327 CB PHE 39 2.419 1.234 11.267 1.00 0.00 ATOM 328 CG PHE 39 2.775 2.706 11.172 1.00 0.00 ATOM 329 CD1 PHE 39 2.213 3.638 12.047 1.00 0.00 ATOM 330 CD2 PHE 39 3.657 3.159 10.192 1.00 0.00 ATOM 331 CE1 PHE 39 2.522 4.996 11.944 1.00 0.00 ATOM 332 CE2 PHE 39 3.973 4.524 10.077 1.00 0.00 ATOM 333 CZ PHE 39 3.405 5.442 10.956 1.00 0.00 ATOM 334 O PHE 39 0.234 -0.797 12.273 1.00 0.00 ATOM 335 C PHE 39 0.392 0.394 11.928 1.00 0.00 ATOM 336 N GLN 40 -0.517 1.119 11.303 1.00 0.00 ATOM 337 CA GLN 40 -1.817 0.520 10.932 1.00 0.00 ATOM 338 CB GLN 40 -2.786 1.566 10.390 1.00 0.00 ATOM 339 CG GLN 40 -3.216 2.510 11.504 1.00 0.00 ATOM 340 CD GLN 40 -3.986 3.687 10.984 1.00 0.00 ATOM 341 OE1 GLN 40 -3.902 4.079 9.833 1.00 0.00 ATOM 342 NE2 GLN 40 -4.770 4.267 11.884 1.00 0.00 ATOM 343 O GLN 40 -2.548 -1.577 10.082 1.00 0.00 ATOM 344 C GLN 40 -1.730 -0.653 9.965 1.00 0.00 ATOM 345 N ASP 41 -0.943 -1.378 9.031 1.00 0.00 ATOM 346 CA ASP 41 0.175 -1.790 8.160 1.00 0.00 ATOM 347 CB ASP 41 1.502 -1.371 8.799 1.00 0.00 ATOM 348 CG ASP 41 2.704 -1.850 7.993 1.00 0.00 ATOM 349 OD1 ASP 41 2.540 -2.502 6.932 1.00 0.00 ATOM 350 OD2 ASP 41 3.828 -1.569 8.440 1.00 0.00 ATOM 351 O ASP 41 0.672 -3.996 8.820 1.00 0.00 ATOM 352 C ASP 41 0.257 -3.256 7.952 1.00 0.00 ATOM 353 N THR 42 -0.126 -3.659 6.755 1.00 0.00 ATOM 354 CA THR 42 -0.180 -5.057 6.407 1.00 0.00 ATOM 355 CB THR 42 -1.454 -5.389 5.606 1.00 0.00 ATOM 356 CG2 THR 42 -2.695 -5.058 6.416 1.00 0.00 ATOM 357 OG1 THR 42 -1.470 -4.626 4.394 1.00 0.00 ATOM 358 O THR 42 1.533 -4.800 4.816 1.00 0.00 ATOM 359 C THR 42 0.963 -5.546 5.566 1.00 0.00 ATOM 360 N SER 43 1.319 -6.810 5.732 1.00 0.00 ATOM 361 CA SER 43 2.281 -7.412 4.846 1.00 0.00 ATOM 362 CB SER 43 3.584 -7.710 5.590 1.00 0.00 ATOM 363 OG SER 43 4.186 -6.517 6.062 1.00 0.00 ATOM 364 O SER 43 0.903 -9.361 5.172 1.00 0.00 ATOM 365 C SER 43 1.592 -8.686 4.375 1.00 0.00 ATOM 366 N PHE 44 1.727 -8.991 3.078 1.00 0.00 ATOM 367 CA PHE 44 1.220 -10.236 2.570 1.00 0.00 ATOM 368 CB PHE 44 0.621 -10.042 1.176 1.00 0.00 ATOM 369 CG PHE 44 0.073 -11.303 0.572 1.00 0.00 ATOM 370 CD1 PHE 44 -1.154 -11.804 0.969 1.00 0.00 ATOM 371 CD2 PHE 44 0.784 -11.990 -0.395 1.00 0.00 ATOM 372 CE1 PHE 44 -1.658 -12.964 0.414 1.00 0.00 ATOM 373 CE2 PHE 44 0.282 -13.150 -0.953 1.00 0.00 ATOM 374 CZ PHE 44 -0.934 -13.637 -0.552 1.00 0.00 ATOM 375 O PHE 44 3.545 -10.611 2.059 1.00 0.00 ATOM 376 C PHE 44 2.502 -11.072 2.573 1.00 0.00 ATOM 377 N ILE 45 2.446 -12.269 3.183 1.00 0.00 ATOM 378 CA ILE 45 3.607 -13.134 3.285 1.00 0.00 ATOM 379 CB ILE 45 3.912 -13.501 4.749 1.00 0.00 ATOM 380 CG1 ILE 45 4.220 -12.241 5.560 1.00 0.00 ATOM 381 CG2 ILE 45 5.112 -14.429 4.825 1.00 0.00 ATOM 382 CD1 ILE 45 4.289 -12.479 7.053 1.00 0.00 ATOM 383 O ILE 45 2.475 -15.132 2.621 1.00 0.00 ATOM 384 C ILE 45 3.514 -14.455 2.567 1.00 0.00 ATOM 385 N THR 46 4.608 -14.830 1.912 1.00 0.00 ATOM 386 CA THR 46 4.660 -16.138 1.265 1.00 0.00 ATOM 387 CB THR 46 5.797 -16.210 0.229 1.00 0.00 ATOM 388 CG2 THR 46 5.827 -17.579 -0.435 1.00 0.00 ATOM 389 OG1 THR 46 5.597 -15.211 -0.778 1.00 0.00 ATOM 390 O THR 46 5.950 -17.127 3.059 1.00 0.00 ATOM 391 C THR 46 4.900 -17.139 2.417 1.00 0.00 ATOM 392 N SER 47 3.906 -17.974 2.680 1.00 0.00 ATOM 393 CA SER 47 3.981 -18.946 3.741 1.00 0.00 ATOM 394 CB SER 47 2.701 -19.785 3.791 1.00 0.00 ATOM 395 OG SER 47 2.564 -20.577 2.625 1.00 0.00 ATOM 396 O SER 47 5.721 -20.417 4.534 1.00 0.00 ATOM 397 C SER 47 5.160 -19.918 3.565 1.00 0.00 ATOM 398 N GLU 48 5.526 -20.166 2.319 1.00 0.00 ATOM 399 CA GLU 48 6.600 -21.089 1.959 1.00 0.00 ATOM 400 CB GLU 48 6.894 -21.015 0.460 1.00 0.00 ATOM 401 CG GLU 48 5.795 -21.594 -0.417 1.00 0.00 ATOM 402 CD GLU 48 6.095 -21.456 -1.896 1.00 0.00 ATOM 403 OE1 GLU 48 7.140 -20.861 -2.237 1.00 0.00 ATOM 404 OE2 GLU 48 5.286 -21.941 -2.715 1.00 0.00 ATOM 405 O GLU 48 8.638 -21.816 2.979 1.00 0.00 ATOM 406 C GLU 48 7.945 -20.874 2.635 1.00 0.00 ATOM 407 N HIS 49 8.317 -19.612 2.783 1.00 0.00 ATOM 408 CA HIS 49 9.598 -19.244 3.340 1.00 0.00 ATOM 409 CB HIS 49 10.589 -18.904 2.226 1.00 0.00 ATOM 410 CG HIS 49 10.824 -20.023 1.262 1.00 0.00 ATOM 411 CD2 HIS 49 11.646 -21.224 1.244 1.00 0.00 ATOM 412 ND1 HIS 49 10.188 -20.101 0.041 1.00 0.00 ATOM 413 CE1 HIS 49 10.598 -21.212 -0.598 1.00 0.00 ATOM 414 NE2 HIS 49 11.473 -21.891 0.120 1.00 0.00 ATOM 415 O HIS 49 10.397 -17.369 4.554 1.00 0.00 ATOM 416 C HIS 49 9.425 -18.035 4.234 1.00 0.00 ATOM 417 N ASN 50 8.192 -17.766 4.641 1.00 0.00 ATOM 418 CA ASN 50 7.912 -16.583 5.445 1.00 0.00 ATOM 419 CB ASN 50 8.411 -16.778 6.878 1.00 0.00 ATOM 420 CG ASN 50 7.661 -17.873 7.611 1.00 0.00 ATOM 421 ND2 ASN 50 8.366 -18.948 7.949 1.00 0.00 ATOM 422 OD1 ASN 50 6.464 -17.754 7.870 1.00 0.00 ATOM 423 O ASN 50 9.256 -14.568 5.627 1.00 0.00 ATOM 424 C ASN 50 8.599 -15.307 4.883 1.00 0.00 ATOM 425 N SER 51 8.440 -15.054 3.576 1.00 0.00 ATOM 426 CA SER 51 9.033 -13.878 2.951 1.00 0.00 ATOM 427 CB SER 51 9.794 -14.269 1.684 1.00 0.00 ATOM 428 OG SER 51 10.901 -15.098 1.990 1.00 0.00 ATOM 429 O SER 51 6.880 -13.322 2.120 1.00 0.00 ATOM 430 C SER 51 7.933 -12.914 2.594 1.00 0.00 ATOM 431 N MET 52 8.183 -11.639 2.863 1.00 0.00 ATOM 432 CA MET 52 7.221 -10.569 2.616 1.00 0.00 ATOM 433 CB MET 52 7.699 -9.262 3.251 1.00 0.00 ATOM 434 CG MET 52 6.708 -8.116 3.131 1.00 0.00 ATOM 435 SD MET 52 7.302 -6.599 3.904 1.00 0.00 ATOM 436 CE MET 52 7.238 -7.052 5.635 1.00 0.00 ATOM 437 O MET 52 8.024 -10.076 0.443 1.00 0.00 ATOM 438 C MET 52 7.070 -10.369 1.128 1.00 0.00 ATOM 439 N THR 53 5.857 -10.584 0.629 1.00 0.00 ATOM 440 CA THR 53 5.621 -10.454 -0.798 1.00 0.00 ATOM 441 CB THR 53 4.611 -11.502 -1.303 1.00 0.00 ATOM 442 CG2 THR 53 5.118 -12.908 -1.026 1.00 0.00 ATOM 443 OG1 THR 53 3.357 -11.320 -0.634 1.00 0.00 ATOM 444 O THR 53 5.160 -8.670 -2.299 1.00 0.00 ATOM 445 C THR 53 5.061 -9.071 -1.154 1.00 0.00 ATOM 446 N GLY 54 4.533 -8.346 -0.158 1.00 0.00 ATOM 447 CA GLY 54 3.915 -7.045 -0.382 1.00 0.00 ATOM 448 O GLY 54 3.273 -7.034 1.904 1.00 0.00 ATOM 449 C GLY 54 3.486 -6.378 0.911 1.00 0.00 ATOM 450 N PHE 55 3.384 -5.056 0.895 1.00 0.00 ATOM 451 CA PHE 55 2.953 -4.316 2.063 1.00 0.00 ATOM 452 CB PHE 55 4.135 -3.867 2.936 1.00 0.00 ATOM 453 CG PHE 55 4.907 -2.657 2.428 1.00 0.00 ATOM 454 CD1 PHE 55 5.612 -2.703 1.229 1.00 0.00 ATOM 455 CD2 PHE 55 4.942 -1.477 3.176 1.00 0.00 ATOM 456 CE1 PHE 55 6.335 -1.595 0.779 1.00 0.00 ATOM 457 CE2 PHE 55 5.666 -0.359 2.738 1.00 0.00 ATOM 458 CZ PHE 55 6.362 -0.417 1.534 1.00 0.00 ATOM 459 O PHE 55 2.181 -2.731 0.425 1.00 0.00 ATOM 460 C PHE 55 2.075 -3.182 1.570 1.00 0.00 ATOM 461 N LEU 56 1.195 -2.748 2.446 1.00 0.00 ATOM 462 CA LEU 56 0.274 -1.668 2.168 1.00 0.00 ATOM 463 CB LEU 56 -0.861 -2.154 1.266 1.00 0.00 ATOM 464 CG LEU 56 -1.945 -1.128 0.926 1.00 0.00 ATOM 465 CD1 LEU 56 -1.359 0.031 0.135 1.00 0.00 ATOM 466 CD2 LEU 56 -3.045 -1.763 0.091 1.00 0.00 ATOM 467 O LEU 56 -0.241 -2.024 4.464 1.00 0.00 ATOM 468 C LEU 56 -0.254 -1.234 3.532 1.00 0.00 ATOM 469 N ILE 57 -0.704 0.013 3.663 1.00 0.00 ATOM 470 CA ILE 57 -1.238 0.531 4.937 1.00 0.00 ATOM 471 CB ILE 57 -0.242 1.509 5.632 1.00 0.00 ATOM 472 CG1 ILE 57 -0.047 2.796 4.819 1.00 0.00 ATOM 473 CG2 ILE 57 1.082 0.831 5.757 1.00 0.00 ATOM 474 CD1 ILE 57 0.824 3.826 5.569 1.00 0.00 ATOM 475 O ILE 57 -2.840 1.731 3.579 1.00 0.00 ATOM 476 C ILE 57 -2.560 1.262 4.691 1.00 0.00 ATOM 477 N GLY 58 -3.408 1.320 5.705 1.00 0.00 ATOM 478 CA GLY 58 -4.606 2.119 5.570 1.00 0.00 ATOM 479 O GLY 58 -4.712 2.242 7.955 1.00 0.00 ATOM 480 C GLY 58 -4.716 2.840 6.893 1.00 0.00 ATOM 481 N PHE 59 -4.720 4.156 6.805 1.00 0.00 ATOM 482 CA PHE 59 -4.785 5.020 7.930 1.00 0.00 ATOM 483 CB PHE 59 -3.876 6.234 7.727 1.00 0.00 ATOM 484 CG PHE 59 -3.894 7.203 8.875 1.00 0.00 ATOM 485 CD1 PHE 59 -3.189 6.938 10.036 1.00 0.00 ATOM 486 CD2 PHE 59 -4.616 8.381 8.794 1.00 0.00 ATOM 487 CE1 PHE 59 -3.206 7.828 11.091 1.00 0.00 ATOM 488 CE2 PHE 59 -4.633 9.271 9.848 1.00 0.00 ATOM 489 CZ PHE 59 -3.932 9.002 10.995 1.00 0.00 ATOM 490 O PHE 59 -6.867 5.923 7.170 1.00 0.00 ATOM 491 C PHE 59 -6.204 5.505 8.126 1.00 0.00 ATOM 492 N GLN 60 -6.672 5.459 9.362 1.00 0.00 ATOM 493 CA GLN 60 -8.031 5.872 9.677 1.00 0.00 ATOM 494 CB GLN 60 -8.843 4.684 10.198 1.00 0.00 ATOM 495 CG GLN 60 -10.284 5.021 10.547 1.00 0.00 ATOM 496 CD GLN 60 -11.075 3.809 10.996 1.00 0.00 ATOM 497 OE1 GLN 60 -10.544 2.701 11.064 1.00 0.00 ATOM 498 NE2 GLN 60 -12.350 4.017 11.303 1.00 0.00 ATOM 499 O GLN 60 -7.488 6.749 11.836 1.00 0.00 ATOM 500 C GLN 60 -8.025 6.953 10.743 1.00 0.00 ATOM 501 N SER 61 -8.613 8.101 10.412 1.00 0.00 ATOM 502 CA SER 61 -8.693 9.240 11.331 1.00 0.00 ATOM 503 CB SER 61 -8.642 10.558 10.556 1.00 0.00 ATOM 504 OG SER 61 -7.396 10.716 9.900 1.00 0.00 ATOM 505 O SER 61 -11.048 8.875 11.600 1.00 0.00 ATOM 506 C SER 61 -9.990 9.211 12.132 1.00 0.00 ATOM 507 N GLN 62 -9.893 9.579 13.406 1.00 0.00 ATOM 508 CA GLN 62 -11.053 9.600 14.296 1.00 0.00 ATOM 509 CB GLN 62 -10.608 9.741 15.754 1.00 0.00 ATOM 510 CG GLN 62 -9.836 8.544 16.284 1.00 0.00 ATOM 511 CD GLN 62 -9.356 8.747 17.708 1.00 0.00 ATOM 512 OE1 GLN 62 -9.576 9.802 18.303 1.00 0.00 ATOM 513 NE2 GLN 62 -8.695 7.736 18.258 1.00 0.00 ATOM 514 O GLN 62 -13.144 10.780 14.408 1.00 0.00 ATOM 515 C GLN 62 -11.992 10.767 13.978 1.00 0.00 ATOM 516 N SER 63 -11.516 11.762 13.229 1.00 0.00 ATOM 517 CA SER 63 -12.303 12.935 12.874 1.00 0.00 ATOM 518 CB SER 63 -11.542 13.805 11.870 1.00 0.00 ATOM 519 OG SER 63 -12.301 14.947 11.508 1.00 0.00 ATOM 520 O SER 63 -14.760 13.108 12.725 1.00 0.00 ATOM 521 C SER 63 -13.689 12.710 12.217 1.00 0.00 ATOM 522 N ASP 64 -13.658 11.968 11.125 1.00 0.00 ATOM 523 CA ASP 64 -14.868 11.726 10.348 1.00 0.00 ATOM 524 CB ASP 64 -14.588 11.905 8.853 1.00 0.00 ATOM 525 CG ASP 64 -14.200 13.327 8.499 1.00 0.00 ATOM 526 OD1 ASP 64 -15.043 14.231 8.669 1.00 0.00 ATOM 527 OD2 ASP 64 -13.053 13.537 8.051 1.00 0.00 ATOM 528 O ASP 64 -14.671 9.356 10.749 1.00 0.00 ATOM 529 C ASP 64 -15.436 10.305 10.534 1.00 0.00 ATOM 530 N PRO 65 -17.474 10.710 9.451 1.00 0.00 ATOM 531 CA PRO 65 -18.129 9.402 9.231 1.00 0.00 ATOM 532 CB PRO 65 -19.286 9.722 8.281 1.00 0.00 ATOM 533 CG PRO 65 -18.797 10.877 7.475 1.00 0.00 ATOM 534 CD PRO 65 -18.079 11.783 8.436 1.00 0.00 ATOM 535 O PRO 65 -16.236 8.848 7.845 1.00 0.00 ATOM 536 C PRO 65 -17.126 8.444 8.616 1.00 0.00 ATOM 537 N GLU 66 -15.770 8.419 9.555 1.00 0.00 ATOM 538 CA GLU 66 -14.440 7.876 9.423 1.00 0.00 ATOM 539 CB GLU 66 -14.338 6.506 10.081 1.00 0.00 ATOM 540 CG GLU 66 -13.237 6.443 11.111 1.00 0.00 ATOM 541 CD GLU 66 -13.651 7.048 12.428 1.00 0.00 ATOM 542 OE1 GLU 66 -14.318 6.336 13.206 1.00 0.00 ATOM 543 OE2 GLU 66 -13.331 8.232 12.683 1.00 0.00 ATOM 544 O GLU 66 -14.864 7.452 7.074 1.00 0.00 ATOM 545 C GLU 66 -14.063 7.840 7.936 1.00 0.00 ATOM 546 N THR 67 -12.839 8.255 7.636 1.00 0.00 ATOM 547 CA THR 67 -12.384 8.176 6.273 1.00 0.00 ATOM 548 CB THR 67 -12.155 9.576 5.672 1.00 0.00 ATOM 549 CG2 THR 67 -11.680 9.464 4.232 1.00 0.00 ATOM 550 OG1 THR 67 -13.381 10.317 5.701 1.00 0.00 ATOM 551 O THR 67 -10.150 7.720 7.055 1.00 0.00 ATOM 552 C THR 67 -11.071 7.399 6.289 1.00 0.00 ATOM 553 N ALA 68 -10.988 6.393 5.451 1.00 0.00 ATOM 554 CA ALA 68 -9.760 5.618 5.353 1.00 0.00 ATOM 555 CB ALA 68 -10.073 4.171 5.000 1.00 0.00 ATOM 556 O ALA 68 -9.237 6.729 3.245 1.00 0.00 ATOM 557 C ALA 68 -8.807 6.171 4.264 1.00 0.00 ATOM 558 N TYR 69 -7.510 6.036 4.483 1.00 0.00 ATOM 559 CA TYR 69 -6.543 6.535 3.535 1.00 0.00 ATOM 560 CB TYR 69 -5.794 7.736 4.114 1.00 0.00 ATOM 561 CG TYR 69 -6.685 8.915 4.436 1.00 0.00 ATOM 562 CD1 TYR 69 -7.138 9.133 5.732 1.00 0.00 ATOM 563 CD2 TYR 69 -7.071 9.808 3.444 1.00 0.00 ATOM 564 CE1 TYR 69 -7.952 10.207 6.034 1.00 0.00 ATOM 565 CE2 TYR 69 -7.884 10.887 3.728 1.00 0.00 ATOM 566 CZ TYR 69 -8.324 11.082 5.035 1.00 0.00 ATOM 567 OH TYR 69 -9.135 12.153 5.336 1.00 0.00 ATOM 568 O TYR 69 -4.733 5.035 4.064 1.00 0.00 ATOM 569 C TYR 69 -5.550 5.407 3.232 1.00 0.00 ATOM 570 N ILE 70 -5.621 4.859 2.037 1.00 0.00 ATOM 571 CA ILE 70 -4.672 3.809 1.683 1.00 0.00 ATOM 572 CB ILE 70 -5.186 2.959 0.504 1.00 0.00 ATOM 573 CG1 ILE 70 -6.496 2.264 0.881 1.00 0.00 ATOM 574 CG2 ILE 70 -4.164 1.896 0.131 1.00 0.00 ATOM 575 CD1 ILE 70 -7.196 1.609 -0.291 1.00 0.00 ATOM 576 O ILE 70 -3.311 5.284 0.424 1.00 0.00 ATOM 577 C ILE 70 -3.338 4.434 1.280 1.00 0.00 ATOM 578 N HIS 71 -2.252 4.026 1.925 1.00 0.00 ATOM 579 CA HIS 71 -0.922 4.583 1.681 1.00 0.00 ATOM 580 CB HIS 71 -0.465 5.424 2.874 1.00 0.00 ATOM 581 CG HIS 71 -1.330 6.617 3.138 1.00 0.00 ATOM 582 CD2 HIS 71 -1.463 7.584 4.218 1.00 0.00 ATOM 583 ND1 HIS 71 -2.292 7.050 2.251 1.00 0.00 ATOM 584 CE1 HIS 71 -2.901 8.135 2.762 1.00 0.00 ATOM 585 NE2 HIS 71 -2.410 8.460 3.942 1.00 0.00 ATOM 586 O HIS 71 -0.074 2.344 1.846 1.00 0.00 ATOM 587 C HIS 71 0.131 3.502 1.457 1.00 0.00 ATOM 588 N PHE 72 1.266 3.905 0.868 1.00 0.00 ATOM 589 CA PHE 72 2.430 3.042 0.662 1.00 0.00 ATOM 590 CB PHE 72 3.195 2.851 1.974 1.00 0.00 ATOM 591 CG PHE 72 3.751 4.125 2.541 1.00 0.00 ATOM 592 CD1 PHE 72 3.078 4.806 3.540 1.00 0.00 ATOM 593 CD2 PHE 72 4.948 4.643 2.076 1.00 0.00 ATOM 594 CE1 PHE 72 3.590 5.980 4.063 1.00 0.00 ATOM 595 CE2 PHE 72 5.459 5.816 2.599 1.00 0.00 ATOM 596 CZ PHE 72 4.786 6.482 3.587 1.00 0.00 ATOM 597 O PHE 72 2.661 0.639 0.798 1.00 0.00 ATOM 598 C PHE 72 2.255 1.619 0.156 1.00 0.00 ATOM 599 N SER 73 1.654 1.509 -1.018 1.00 0.00 ATOM 600 CA SER 73 1.422 0.214 -1.595 1.00 0.00 ATOM 601 CB SER 73 0.264 0.273 -2.595 1.00 0.00 ATOM 602 OG SER 73 0.090 -0.972 -3.247 1.00 0.00 ATOM 603 O SER 73 3.091 0.387 -3.177 1.00 0.00 ATOM 604 C SER 73 2.620 -0.281 -2.312 1.00 0.00 ATOM 605 N GLY 74 3.115 -1.461 -1.982 1.00 0.00 ATOM 606 CA GLY 74 4.284 -1.950 -2.701 1.00 0.00 ATOM 607 O GLY 74 4.120 -4.177 -1.762 1.00 0.00 ATOM 608 C GLY 74 4.256 -3.466 -2.782 1.00 0.00 ATOM 609 N VAL 75 4.343 -3.954 -4.007 1.00 0.00 ATOM 610 CA VAL 75 4.408 -5.366 -4.250 1.00 0.00 ATOM 611 CB VAL 75 3.586 -5.761 -5.490 1.00 0.00 ATOM 612 CG1 VAL 75 3.720 -7.252 -5.763 1.00 0.00 ATOM 613 CG2 VAL 75 2.114 -5.441 -5.279 1.00 0.00 ATOM 614 O VAL 75 6.586 -4.970 -5.214 1.00 0.00 ATOM 615 C VAL 75 5.899 -5.657 -4.465 1.00 0.00 ATOM 616 N HIS 76 6.417 -6.660 -3.772 1.00 0.00 ATOM 617 CA HIS 76 7.835 -6.978 -3.876 1.00 0.00 ATOM 618 CB HIS 76 8.198 -8.120 -2.925 1.00 0.00 ATOM 619 CG HIS 76 9.665 -8.413 -2.865 1.00 0.00 ATOM 620 CD2 HIS 76 10.557 -9.381 -3.487 1.00 0.00 ATOM 621 ND1 HIS 76 10.536 -7.688 -2.081 1.00 0.00 ATOM 622 CE1 HIS 76 11.778 -8.183 -2.235 1.00 0.00 ATOM 623 NE2 HIS 76 11.798 -9.198 -3.077 1.00 0.00 ATOM 624 O HIS 76 7.322 -7.973 -5.988 1.00 0.00 ATOM 625 C HIS 76 8.161 -7.397 -5.292 1.00 0.00 ATOM 626 N PRO 77 9.374 -7.093 -5.725 1.00 0.00 ATOM 627 CA PRO 77 9.791 -7.382 -7.095 1.00 0.00 ATOM 628 CB PRO 77 11.256 -6.943 -7.137 1.00 0.00 ATOM 629 CG PRO 77 11.357 -5.879 -6.096 1.00 0.00 ATOM 630 CD PRO 77 10.467 -6.318 -4.966 1.00 0.00 ATOM 631 O PRO 77 9.345 -9.084 -8.724 1.00 0.00 ATOM 632 C PRO 77 9.704 -8.829 -7.568 1.00 0.00 ATOM 633 N ASP 78 10.024 -9.781 -6.702 1.00 0.00 ATOM 634 CA ASP 78 9.949 -11.184 -7.135 1.00 0.00 ATOM 635 CB ASP 78 10.821 -12.068 -6.239 1.00 0.00 ATOM 636 CG ASP 78 12.303 -11.820 -6.440 1.00 0.00 ATOM 637 OD1 ASP 78 13.090 -12.775 -6.290 1.00 0.00 ATOM 638 OD2 ASP 78 12.675 -10.666 -6.744 1.00 0.00 ATOM 639 O ASP 78 8.260 -12.887 -7.380 1.00 0.00 ATOM 640 C ASP 78 8.516 -11.716 -7.069 1.00 0.00 ATOM 641 N PHE 79 7.585 -10.857 -6.664 1.00 0.00 ATOM 642 CA PHE 79 6.227 -11.301 -6.499 1.00 0.00 ATOM 643 CB PHE 79 5.757 -11.071 -5.061 1.00 0.00 ATOM 644 CG PHE 79 6.557 -11.823 -4.036 1.00 0.00 ATOM 645 CD1 PHE 79 7.577 -11.198 -3.339 1.00 0.00 ATOM 646 CD2 PHE 79 6.288 -13.154 -3.769 1.00 0.00 ATOM 647 CE1 PHE 79 8.311 -11.890 -2.395 1.00 0.00 ATOM 648 CE2 PHE 79 7.024 -13.845 -2.825 1.00 0.00 ATOM 649 CZ PHE 79 8.032 -13.219 -2.139 1.00 0.00 ATOM 650 O PHE 79 4.070 -10.766 -7.289 1.00 0.00 ATOM 651 C PHE 79 5.269 -10.593 -7.390 1.00 0.00 ATOM 652 N ARG 80 5.799 -9.785 -8.284 1.00 0.00 ATOM 653 CA ARG 80 4.939 -9.036 -9.176 1.00 0.00 ATOM 654 CB ARG 80 5.159 -8.058 -9.923 1.00 0.00 ATOM 655 CG ARG 80 4.510 -6.906 -9.157 1.00 0.00 ATOM 656 CD ARG 80 4.499 -5.605 -10.002 1.00 0.00 ATOM 657 NE ARG 80 5.780 -4.894 -9.954 1.00 0.00 ATOM 658 CZ ARG 80 6.103 -3.844 -9.174 1.00 0.00 ATOM 659 NH1 ARG 80 5.252 -3.259 -8.353 1.00 0.00 ATOM 660 NH2 ARG 80 7.371 -3.444 -9.234 1.00 0.00 ATOM 661 O ARG 80 4.630 -11.093 -10.313 1.00 0.00 ATOM 662 C ARG 80 4.214 -9.956 -10.093 1.00 0.00 ATOM 663 N LYS 81 3.121 -9.436 -10.621 1.00 0.00 ATOM 664 CA LYS 81 2.279 -10.168 -11.538 1.00 0.00 ATOM 665 CB LYS 81 3.098 -10.680 -12.724 1.00 0.00 ATOM 666 CG LYS 81 3.755 -9.583 -13.544 1.00 0.00 ATOM 667 CD LYS 81 4.538 -10.162 -14.712 1.00 0.00 ATOM 668 CE LYS 81 5.196 -9.064 -15.534 1.00 0.00 ATOM 669 NZ LYS 81 5.979 -9.617 -16.673 1.00 0.00 ATOM 670 O LYS 81 1.092 -12.158 -11.808 1.00 0.00 ATOM 671 C LYS 81 1.567 -11.391 -11.005 1.00 0.00 ATOM 672 N MET 82 1.485 -11.615 -9.698 1.00 0.00 ATOM 673 CA MET 82 0.794 -12.778 -9.193 1.00 0.00 ATOM 674 CB MET 82 1.506 -13.254 -7.943 1.00 0.00 ATOM 675 CG MET 82 2.955 -13.576 -8.254 1.00 0.00 ATOM 676 SD MET 82 3.602 -14.533 -6.998 1.00 0.00 ATOM 677 CE MET 82 2.787 -16.087 -7.314 1.00 0.00 ATOM 678 O MET 82 -1.204 -11.545 -8.748 1.00 0.00 ATOM 679 C MET 82 -0.695 -12.641 -8.965 1.00 0.00 ATOM 680 N GLN 83 -1.891 -11.112 -8.886 1.00 0.00 ATOM 681 CA GLN 83 -2.991 -10.654 -8.065 1.00 0.00 ATOM 682 CB GLN 83 -4.051 -11.749 -7.929 1.00 0.00 ATOM 683 CG GLN 83 -4.735 -12.117 -9.233 1.00 0.00 ATOM 684 CD GLN 83 -5.728 -13.252 -9.072 1.00 0.00 ATOM 685 OE1 GLN 83 -5.897 -13.790 -7.977 1.00 0.00 ATOM 686 NE2 GLN 83 -6.390 -13.618 -10.163 1.00 0.00 ATOM 687 O GLN 83 -3.465 -9.965 -5.867 1.00 0.00 ATOM 688 C GLN 83 -2.604 -10.261 -6.662 1.00 0.00 ATOM 689 N ILE 84 -1.310 -10.265 -6.345 1.00 0.00 ATOM 690 CA ILE 84 -0.888 -9.932 -4.999 1.00 0.00 ATOM 691 CB ILE 84 0.644 -10.028 -4.870 1.00 0.00 ATOM 692 CG1 ILE 84 1.139 -11.450 -5.043 1.00 0.00 ATOM 693 CG2 ILE 84 1.112 -9.428 -3.554 1.00 0.00 ATOM 694 CD1 ILE 84 2.612 -11.658 -5.208 1.00 0.00 ATOM 695 O ILE 84 -1.840 -8.281 -3.525 1.00 0.00 ATOM 696 C ILE 84 -1.382 -8.555 -4.615 1.00 0.00 ATOM 697 N GLY 85 -1.251 -7.626 -5.569 1.00 0.00 ATOM 698 CA GLY 85 -1.674 -6.227 -5.252 1.00 0.00 ATOM 699 O GLY 85 -3.694 -5.542 -4.128 1.00 0.00 ATOM 700 C GLY 85 -3.164 -6.149 -5.074 1.00 0.00 ATOM 701 N LYS 86 -3.964 -6.765 -5.946 1.00 0.00 ATOM 702 CA LYS 86 -5.419 -6.720 -5.780 1.00 0.00 ATOM 703 CB LYS 86 -5.999 -8.085 -6.514 1.00 0.00 ATOM 704 CG LYS 86 -7.345 -8.095 -7.231 1.00 0.00 ATOM 705 CD LYS 86 -7.582 -9.436 -7.910 1.00 0.00 ATOM 706 CE LYS 86 -8.884 -9.453 -8.663 1.00 0.00 ATOM 707 NZ LYS 86 -9.309 -10.826 -9.008 1.00 0.00 ATOM 708 O LYS 86 -6.827 -6.793 -3.803 1.00 0.00 ATOM 709 C LYS 86 -5.897 -7.286 -4.477 1.00 0.00 ATOM 710 N GLN 87 -5.301 -8.387 -4.051 1.00 0.00 ATOM 711 CA GLN 87 -5.658 -9.093 -2.812 1.00 0.00 ATOM 712 CB GLN 87 -5.037 -10.483 -2.706 1.00 0.00 ATOM 713 CG GLN 87 -5.712 -11.483 -3.620 1.00 0.00 ATOM 714 CD GLN 87 -4.839 -12.669 -3.919 1.00 0.00 ATOM 715 OE1 GLN 87 -3.676 -12.780 -3.512 1.00 0.00 ATOM 716 NE2 GLN 87 -5.422 -13.628 -4.644 1.00 0.00 ATOM 717 O GLN 87 -6.006 -8.395 -0.571 1.00 0.00 ATOM 718 C GLN 87 -5.258 -8.300 -1.559 1.00 0.00 ATOM 719 N LEU 88 -4.149 -7.601 -1.627 1.00 0.00 ATOM 720 CA LEU 88 -3.677 -6.750 -0.533 1.00 0.00 ATOM 721 CB LEU 88 -2.376 -6.013 -0.792 1.00 0.00 ATOM 722 CG LEU 88 -1.166 -6.900 -1.098 1.00 0.00 ATOM 723 CD1 LEU 88 0.077 -6.013 -1.333 1.00 0.00 ATOM 724 CD2 LEU 88 -0.892 -7.833 0.073 1.00 0.00 ATOM 725 O LEU 88 -5.037 -5.272 0.758 1.00 0.00 ATOM 726 C LEU 88 -4.684 -5.622 -0.357 1.00 0.00 ATOM 727 N TYR 89 -5.209 -4.784 -1.483 1.00 0.00 ATOM 728 CA TYR 89 -6.173 -3.703 -1.444 1.00 0.00 ATOM 729 CB TYR 89 -6.393 -3.129 -2.845 1.00 0.00 ATOM 730 CG TYR 89 -5.252 -2.269 -3.340 1.00 0.00 ATOM 731 CD1 TYR 89 -4.282 -2.791 -4.186 1.00 0.00 ATOM 732 CD2 TYR 89 -5.149 -0.938 -2.961 1.00 0.00 ATOM 733 CE1 TYR 89 -3.237 -2.014 -4.645 1.00 0.00 ATOM 734 CE2 TYR 89 -4.110 -0.143 -3.409 1.00 0.00 ATOM 735 CZ TYR 89 -3.150 -0.694 -4.257 1.00 0.00 ATOM 736 OH TYR 89 -2.109 0.084 -4.711 1.00 0.00 ATOM 737 O TYR 89 -8.072 -3.696 0.021 1.00 0.00 ATOM 738 C TYR 89 -7.489 -4.260 -0.905 1.00 0.00 ATOM 739 N ASP 90 -7.948 -5.372 -1.447 1.00 0.00 ATOM 740 CA ASP 90 -9.209 -5.942 -0.978 1.00 0.00 ATOM 741 CB ASP 90 -9.454 -7.306 -1.627 1.00 0.00 ATOM 742 CG ASP 90 -9.802 -7.199 -3.097 1.00 0.00 ATOM 743 OD1 ASP 90 -10.169 -8.229 -3.698 1.00 0.00 ATOM 744 OD2 ASP 90 -9.710 -6.082 -3.649 1.00 0.00 ATOM 745 O ASP 90 -10.217 -5.853 1.146 1.00 0.00 ATOM 746 C ASP 90 -9.220 -6.135 0.492 1.00 0.00 ATOM 747 N VAL 91 -8.117 -6.628 1.039 1.00 0.00 ATOM 748 CA VAL 91 -8.006 -6.807 2.485 1.00 0.00 ATOM 749 CB VAL 91 -6.655 -7.454 2.864 1.00 0.00 ATOM 750 CG1 VAL 91 -6.502 -7.509 4.378 1.00 0.00 ATOM 751 CG2 VAL 91 -6.573 -8.863 2.278 1.00 0.00 ATOM 752 O VAL 91 -8.839 -5.332 4.193 1.00 0.00 ATOM 753 C VAL 91 -8.142 -5.455 3.184 1.00 0.00 ATOM 754 N PHE 92 -7.485 -4.450 2.636 1.00 0.00 ATOM 755 CA PHE 92 -7.534 -3.081 3.196 1.00 0.00 ATOM 756 CB PHE 92 -6.469 -2.191 2.553 1.00 0.00 ATOM 757 CG PHE 92 -6.474 -0.759 3.027 1.00 0.00 ATOM 758 CD1 PHE 92 -6.119 -0.471 4.357 1.00 0.00 ATOM 759 CD2 PHE 92 -6.894 0.267 2.179 1.00 0.00 ATOM 760 CE1 PHE 92 -6.110 0.826 4.826 1.00 0.00 ATOM 761 CE2 PHE 92 -6.884 1.602 2.651 1.00 0.00 ATOM 762 CZ PHE 92 -6.471 1.868 3.980 1.00 0.00 ATOM 763 O PHE 92 -9.510 -2.026 4.121 1.00 0.00 ATOM 764 C PHE 92 -8.951 -2.528 3.117 1.00 0.00 ATOM 765 N ILE 93 -9.568 -2.617 1.945 1.00 0.00 ATOM 766 CA ILE 93 -10.935 -2.142 1.766 1.00 0.00 ATOM 767 CB ILE 93 -11.448 -2.919 0.339 1.00 0.00 ATOM 768 CG1 ILE 93 -10.339 -3.060 -0.739 1.00 0.00 ATOM 769 CG2 ILE 93 -12.739 -2.375 -0.347 1.00 0.00 ATOM 770 CD1 ILE 93 -10.004 -1.764 -1.508 1.00 0.00 ATOM 771 O ILE 93 -12.787 -2.416 3.272 1.00 0.00 ATOM 772 C ILE 93 -11.911 -2.970 2.608 1.00 0.00 ATOM 773 N GLU 94 -11.741 -4.290 2.620 1.00 0.00 ATOM 774 CA GLU 94 -12.619 -5.139 3.430 1.00 0.00 ATOM 775 CB GLU 94 -12.289 -6.618 3.236 1.00 0.00 ATOM 776 CG GLU 94 -12.679 -7.148 1.862 1.00 0.00 ATOM 777 CD GLU 94 -12.345 -8.615 1.690 1.00 0.00 ATOM 778 OE1 GLU 94 -11.530 -9.145 2.471 1.00 0.00 ATOM 779 OE2 GLU 94 -12.898 -9.239 0.767 1.00 0.00 ATOM 780 O GLU 94 -13.498 -4.703 5.621 1.00 0.00 ATOM 781 C GLU 94 -12.495 -4.792 4.916 1.00 0.00 ATOM 782 N THR 95 -11.262 -4.611 5.393 1.00 0.00 ATOM 783 CA THR 95 -11.037 -4.274 6.790 1.00 0.00 ATOM 784 CB THR 95 -9.538 -4.324 7.149 1.00 0.00 ATOM 785 CG2 THR 95 -9.327 -3.933 8.603 1.00 0.00 ATOM 786 OG1 THR 95 -9.040 -5.652 6.947 1.00 0.00 ATOM 787 O THR 95 -12.166 -2.646 8.153 1.00 0.00 ATOM 788 C THR 95 -11.537 -2.870 7.115 1.00 0.00 ATOM 789 N VAL 96 -11.266 -1.918 6.230 1.00 0.00 ATOM 790 CA VAL 96 -11.715 -0.558 6.457 1.00 0.00 ATOM 791 CB VAL 96 -11.249 0.386 5.333 1.00 0.00 ATOM 792 CG1 VAL 96 -11.901 1.752 5.480 1.00 0.00 ATOM 793 CG2 VAL 96 -9.740 0.565 5.378 1.00 0.00 ATOM 794 O VAL 96 -13.749 0.127 7.468 1.00 0.00 ATOM 795 C VAL 96 -13.216 -0.450 6.524 1.00 0.00 ATOM 796 N LYS 97 -13.912 -1.007 5.541 1.00 0.00 ATOM 797 CA LYS 97 -15.368 -0.952 5.510 1.00 0.00 ATOM 798 CB LYS 97 -15.910 -1.706 4.291 1.00 0.00 ATOM 799 CG LYS 97 -17.431 -1.681 4.180 1.00 0.00 ATOM 800 CD LYS 97 -17.958 -2.819 3.314 1.00 0.00 ATOM 801 CE LYS 97 -17.525 -2.680 1.867 1.00 0.00 ATOM 802 NZ LYS 97 -18.140 -1.484 1.235 1.00 0.00 ATOM 803 O LYS 97 -16.807 -1.031 7.429 1.00 0.00 ATOM 804 C LYS 97 -15.917 -1.585 6.783 1.00 0.00 ATOM 805 N GLN 98 -15.384 -2.750 7.140 1.00 0.00 ATOM 806 CA GLN 98 -15.824 -3.449 8.342 1.00 0.00 ATOM 807 CB GLN 98 -15.090 -4.784 8.484 1.00 0.00 ATOM 808 CG GLN 98 -15.546 -5.842 7.493 1.00 0.00 ATOM 809 CD GLN 98 -17.047 -6.078 7.548 1.00 0.00 ATOM 810 OE1 GLN 98 -17.603 -6.385 8.605 1.00 0.00 ATOM 811 NE2 GLN 98 -17.710 -5.935 6.405 1.00 0.00 ATOM 812 O GLN 98 -16.497 -2.522 10.451 1.00 0.00 ATOM 813 C GLN 98 -15.613 -2.608 9.598 1.00 0.00 ATOM 814 N ARG 99 -14.442 -1.993 9.716 1.00 0.00 ATOM 815 CA ARG 99 -14.146 -1.157 10.875 1.00 0.00 ATOM 816 CB ARG 99 -12.722 -0.604 10.780 1.00 0.00 ATOM 817 CG ARG 99 -12.342 0.354 11.904 1.00 0.00 ATOM 818 CD ARG 99 -12.612 -0.241 13.278 1.00 0.00 ATOM 819 NE ARG 99 -12.125 0.637 14.340 1.00 0.00 ATOM 820 CZ ARG 99 -12.348 0.448 15.635 1.00 0.00 ATOM 821 NH1 ARG 99 -13.059 -0.593 16.046 1.00 0.00 ATOM 822 NH2 ARG 99 -11.855 1.302 16.523 1.00 0.00 ATOM 823 O ARG 99 -15.747 0.241 11.997 1.00 0.00 ATOM 824 C ARG 99 -15.154 -0.015 10.947 1.00 0.00 ATOM 825 N GLY 100 -16.732 0.408 9.362 1.00 0.00 ATOM 826 CA GLY 100 -17.806 1.355 9.153 1.00 0.00 ATOM 827 O GLY 100 -18.122 3.560 8.368 1.00 0.00 ATOM 828 C GLY 100 -17.415 2.589 8.338 1.00 0.00 ATOM 829 N CYS 101 -16.292 2.572 7.632 1.00 0.00 ATOM 830 CA CYS 101 -15.925 3.717 6.820 1.00 0.00 ATOM 831 CB CYS 101 -14.565 3.491 6.157 1.00 0.00 ATOM 832 SG CYS 101 -13.173 3.433 7.307 1.00 0.00 ATOM 833 O CYS 101 -17.505 2.927 5.200 1.00 0.00 ATOM 834 C CYS 101 -16.996 3.902 5.749 1.00 0.00 ATOM 835 N THR 102 -17.356 5.152 5.483 1.00 0.00 ATOM 836 CA THR 102 -18.327 5.462 4.471 1.00 0.00 ATOM 837 CB THR 102 -19.065 6.778 4.780 1.00 0.00 ATOM 838 CG2 THR 102 -19.750 6.700 6.134 1.00 0.00 ATOM 839 OG1 THR 102 -18.126 7.864 4.797 1.00 0.00 ATOM 840 O THR 102 -18.077 5.611 2.088 1.00 0.00 ATOM 841 C THR 102 -17.525 5.584 3.168 1.00 0.00 ATOM 842 N ARG 103 -16.208 5.688 3.290 1.00 0.00 ATOM 843 CA ARG 103 -15.341 5.711 2.117 1.00 0.00 ATOM 844 CB ARG 103 -15.419 7.069 1.418 1.00 0.00 ATOM 845 CG ARG 103 -14.941 8.234 2.270 1.00 0.00 ATOM 846 CD ARG 103 -15.087 9.556 1.533 1.00 0.00 ATOM 847 NE ARG 103 -14.658 10.688 2.349 1.00 0.00 ATOM 848 CZ ARG 103 -14.675 11.952 1.940 1.00 0.00 ATOM 849 NH1 ARG 103 -14.265 12.918 2.751 1.00 0.00 ATOM 850 NH2 ARG 103 -15.101 12.248 0.719 1.00 0.00 ATOM 851 O ARG 103 -13.486 5.653 3.653 1.00 0.00 ATOM 852 C ARG 103 -13.893 5.462 2.501 1.00 0.00 ATOM 853 N VAL 104 -13.126 5.035 1.503 1.00 0.00 ATOM 854 CA VAL 104 -11.725 4.789 1.679 1.00 0.00 ATOM 855 CB VAL 104 -11.413 3.281 1.688 1.00 0.00 ATOM 856 CG1 VAL 104 -11.882 2.634 0.393 1.00 0.00 ATOM 857 CG2 VAL 104 -9.918 3.045 1.829 1.00 0.00 ATOM 858 O VAL 104 -11.424 5.313 -0.651 1.00 0.00 ATOM 859 C VAL 104 -11.029 5.459 0.515 1.00 0.00 ATOM 860 N LYS 105 -10.007 6.233 0.827 1.00 0.00 ATOM 861 CA LYS 105 -9.269 6.931 -0.197 1.00 0.00 ATOM 862 CB LYS 105 -9.434 8.445 -0.041 1.00 0.00 ATOM 863 CG LYS 105 -8.976 8.982 1.305 1.00 0.00 ATOM 864 CD LYS 105 -9.187 10.485 1.397 1.00 0.00 ATOM 865 CE LYS 105 -8.726 11.025 2.742 1.00 0.00 ATOM 866 NZ LYS 105 -8.935 12.496 2.852 1.00 0.00 ATOM 867 O LYS 105 -7.264 6.111 0.901 1.00 0.00 ATOM 868 C LYS 105 -7.772 6.610 -0.123 1.00 0.00 ATOM 869 N CYS 106 -7.114 6.915 -1.242 1.00 0.00 ATOM 870 CA CYS 106 -5.667 6.702 -1.324 1.00 0.00 ATOM 871 CB CYS 106 -5.507 5.265 -1.787 1.00 0.00 ATOM 872 SG CYS 106 -3.764 4.848 -1.948 1.00 0.00 ATOM 873 O CYS 106 -5.782 7.957 -3.369 1.00 0.00 ATOM 874 C CYS 106 -5.066 7.453 -2.484 1.00 0.00 ATOM 875 N VAL 107 -3.739 7.536 -2.454 1.00 0.00 ATOM 876 CA VAL 107 -2.970 8.024 -3.608 1.00 0.00 ATOM 877 CB VAL 107 -2.177 9.297 -3.327 1.00 0.00 ATOM 878 CG1 VAL 107 -1.307 9.676 -4.558 1.00 0.00 ATOM 879 CG2 VAL 107 -3.157 10.444 -3.020 1.00 0.00 ATOM 880 O VAL 107 -1.308 6.404 -2.946 1.00 0.00 ATOM 881 C VAL 107 -1.987 6.879 -3.880 1.00 0.00 ATOM 882 N THR 108 -2.396 8.084 -5.763 1.00 0.00 ATOM 883 CA THR 108 -1.503 7.358 -6.662 1.00 0.00 ATOM 884 CB THR 108 -2.291 6.543 -7.705 1.00 0.00 ATOM 885 CG2 THR 108 -1.339 5.810 -8.636 1.00 0.00 ATOM 886 OG1 THR 108 -3.119 5.584 -7.039 1.00 0.00 ATOM 887 O THR 108 -1.129 9.182 -8.100 1.00 0.00 ATOM 888 C THR 108 -0.592 8.320 -7.417 1.00 0.00 ATOM 889 N SER 109 0.723 8.188 -7.285 1.00 0.00 ATOM 890 CA SER 109 1.672 9.038 -8.016 1.00 0.00 ATOM 891 CB SER 109 2.596 9.770 -7.042 1.00 0.00 ATOM 892 OG SER 109 3.461 8.863 -6.380 1.00 0.00 ATOM 893 O SER 109 2.464 6.913 -8.820 1.00 0.00 ATOM 894 C SER 109 2.499 8.136 -8.936 1.00 0.00 ATOM 895 N PRO 110 3.244 8.703 -9.869 1.00 0.00 ATOM 896 CA PRO 110 3.952 7.894 -10.872 1.00 0.00 ATOM 897 CB PRO 110 4.200 8.872 -12.024 1.00 0.00 ATOM 898 CG PRO 110 4.310 10.205 -11.365 1.00 0.00 ATOM 899 CD PRO 110 3.241 10.238 -10.309 1.00 0.00 ATOM 900 O PRO 110 6.338 7.924 -10.482 1.00 0.00 ATOM 901 C PRO 110 5.273 7.336 -10.319 1.00 0.00 ATOM 902 N VAL 111 5.110 6.206 -9.637 1.00 0.00 ATOM 903 CA VAL 111 6.219 5.575 -8.933 1.00 0.00 ATOM 904 CB VAL 111 6.050 5.677 -7.406 1.00 0.00 ATOM 905 CG1 VAL 111 6.034 7.134 -6.968 1.00 0.00 ATOM 906 CG2 VAL 111 4.743 5.030 -6.969 1.00 0.00 ATOM 907 O VAL 111 5.323 3.525 -9.822 1.00 0.00 ATOM 908 C VAL 111 6.299 4.094 -9.307 1.00 0.00 ATOM 909 N ASN 112 7.437 3.481 -9.022 1.00 0.00 ATOM 910 CA ASN 112 7.617 2.056 -9.254 1.00 0.00 ATOM 911 CB ASN 112 9.080 1.659 -9.042 1.00 0.00 ATOM 912 CG ASN 112 9.980 2.127 -10.168 1.00 0.00 ATOM 913 ND2 ASN 112 9.427 2.930 -11.070 1.00 0.00 ATOM 914 OD1 ASN 112 11.156 1.770 -10.224 1.00 0.00 ATOM 915 O ASN 112 6.161 0.179 -8.688 1.00 0.00 ATOM 916 C ASN 112 6.752 1.223 -8.292 1.00 0.00 ATOM 917 N LYS 113 6.708 1.694 -7.037 1.00 0.00 ATOM 918 CA LYS 113 5.979 0.975 -5.983 1.00 0.00 ATOM 919 CB LYS 113 6.163 1.728 -4.590 1.00 0.00 ATOM 920 CG LYS 113 5.942 0.909 -3.328 1.00 0.00 ATOM 921 CD LYS 113 6.472 1.619 -2.101 1.00 0.00 ATOM 922 CE LYS 113 6.627 0.651 -0.931 1.00 0.00 ATOM 923 NZ LYS 113 7.661 -0.407 -1.181 1.00 0.00 ATOM 924 O LYS 113 3.648 0.655 -5.388 1.00 0.00 ATOM 925 C LYS 113 4.484 1.295 -6.042 1.00 0.00 ATOM 926 N VAL 114 4.122 2.231 -6.882 1.00 0.00 ATOM 927 CA VAL 114 2.720 2.628 -7.004 1.00 0.00 ATOM 928 CB VAL 114 2.474 3.999 -6.354 1.00 0.00 ATOM 929 CG1 VAL 114 1.076 4.498 -6.712 1.00 0.00 ATOM 930 CG2 VAL 114 2.627 3.876 -4.835 1.00 0.00 ATOM 931 O VAL 114 3.249 3.207 -9.280 1.00 0.00 ATOM 932 C VAL 114 2.385 2.843 -8.467 1.00 0.00 ATOM 933 N SER 115 1.073 1.507 -8.430 1.00 0.00 ATOM 934 CA SER 115 0.649 1.173 -9.788 1.00 0.00 ATOM 935 CB SER 115 0.408 -0.332 -9.920 1.00 0.00 ATOM 936 OG SER 115 -0.100 -0.657 -11.203 1.00 0.00 ATOM 937 O SER 115 -1.581 1.912 -9.319 1.00 0.00 ATOM 938 C SER 115 -0.643 1.917 -10.096 1.00 0.00 ATOM 939 N ILE 116 -0.620 2.604 -11.239 1.00 0.00 ATOM 940 CA ILE 116 -1.801 3.326 -11.708 1.00 0.00 ATOM 941 CB ILE 116 -1.605 4.077 -12.990 1.00 0.00 ATOM 942 CG1 ILE 116 -2.899 4.789 -13.389 1.00 0.00 ATOM 943 CG2 ILE 116 -1.148 3.152 -14.100 1.00 0.00 ATOM 944 CD1 ILE 116 -3.361 5.833 -12.395 1.00 0.00 ATOM 945 O ILE 116 -4.051 2.491 -11.546 1.00 0.00 ATOM 946 C ILE 116 -2.912 2.294 -11.960 1.00 0.00 ATOM 947 N ALA 117 -2.579 1.192 -12.624 1.00 0.00 ATOM 948 CA ALA 117 -3.540 0.128 -12.904 1.00 0.00 ATOM 949 CB ALA 117 -2.747 -1.091 -13.451 1.00 0.00 ATOM 950 O ALA 117 -4.833 -1.542 -11.777 1.00 0.00 ATOM 951 C ALA 117 -3.864 -0.784 -11.724 1.00 0.00 ATOM 952 N TYR 118 -3.041 -0.703 -10.664 1.00 0.00 ATOM 953 CA TYR 118 -3.272 -1.560 -9.504 1.00 0.00 ATOM 954 CB TYR 118 -2.125 -1.404 -8.503 1.00 0.00 ATOM 955 CG TYR 118 -0.912 -2.232 -8.896 1.00 0.00 ATOM 956 CD1 TYR 118 0.265 -1.670 -9.336 1.00 0.00 ATOM 957 CD2 TYR 118 -1.023 -3.617 -8.767 1.00 0.00 ATOM 958 CE1 TYR 118 1.373 -2.483 -9.623 1.00 0.00 ATOM 959 CE2 TYR 118 0.088 -4.418 -8.998 1.00 0.00 ATOM 960 CZ TYR 118 1.249 -3.839 -9.429 1.00 0.00 ATOM 961 OH TYR 118 2.338 -4.681 -9.632 1.00 0.00 ATOM 962 O TYR 118 -5.307 -2.214 -8.386 1.00 0.00 ATOM 963 C TYR 118 -4.608 -1.324 -8.833 1.00 0.00 ATOM 964 N HIS 119 -4.959 -0.020 -8.606 1.00 0.00 ATOM 965 CA HIS 119 -6.245 0.225 -7.968 1.00 0.00 ATOM 966 CB HIS 119 -6.698 1.779 -8.459 1.00 0.00 ATOM 967 CG HIS 119 -5.660 2.857 -8.571 1.00 0.00 ATOM 968 CD2 HIS 119 -5.067 3.415 -9.659 1.00 0.00 ATOM 969 ND1 HIS 119 -5.050 3.434 -7.481 1.00 0.00 ATOM 970 CE1 HIS 119 -4.131 4.280 -7.878 1.00 0.00 ATOM 971 NE2 HIS 119 -4.116 4.286 -9.200 1.00 0.00 ATOM 972 O HIS 119 -8.281 -0.972 -8.209 1.00 0.00 ATOM 973 C HIS 119 -7.405 -0.317 -8.769 1.00 0.00 ATOM 974 N THR 120 -7.459 -0.107 -10.066 1.00 0.00 ATOM 975 CA THR 120 -8.499 -0.569 -10.933 1.00 0.00 ATOM 976 CB THR 120 -8.486 0.025 -12.356 1.00 0.00 ATOM 977 CG2 THR 120 -9.589 -0.455 -13.251 1.00 0.00 ATOM 978 OG1 THR 120 -8.647 1.437 -12.210 1.00 0.00 ATOM 979 O THR 120 -9.514 -2.747 -10.735 1.00 0.00 ATOM 980 C THR 120 -8.500 -2.084 -10.982 1.00 0.00 ATOM 981 N LYS 121 -7.324 -2.651 -11.249 1.00 0.00 ATOM 982 CA LYS 121 -7.202 -4.114 -11.316 1.00 0.00 ATOM 983 CB LYS 121 -5.801 -4.520 -11.825 1.00 0.00 ATOM 984 CG LYS 121 -5.603 -6.056 -11.975 1.00 0.00 ATOM 985 CD LYS 121 -6.217 -6.574 -13.282 1.00 0.00 ATOM 986 CE LYS 121 -6.165 -8.105 -13.368 1.00 0.00 ATOM 987 NZ LYS 121 -6.887 -8.615 -14.597 1.00 0.00 ATOM 988 O LYS 121 -7.895 -5.922 -9.864 1.00 0.00 ATOM 989 C LYS 121 -7.480 -4.761 -9.949 1.00 0.00 ATOM 990 N LEU 122 -7.217 -4.021 -8.880 1.00 0.00 ATOM 991 CA LEU 122 -7.459 -4.509 -7.527 1.00 0.00 ATOM 992 CB LEU 122 -6.261 -3.966 -6.497 1.00 0.00 ATOM 993 CG LEU 122 -4.936 -3.444 -7.040 1.00 0.00 ATOM 994 CD1 LEU 122 -4.175 -2.675 -5.957 1.00 0.00 ATOM 995 CD2 LEU 122 -4.075 -4.580 -7.566 1.00 0.00 ATOM 996 O LEU 122 -9.138 -4.248 -5.807 1.00 0.00 ATOM 997 C LEU 122 -8.839 -4.077 -6.995 1.00 0.00 ATOM 998 N GLY 123 -10.634 -3.791 -6.634 1.00 0.00 ATOM 999 CA GLY 123 -11.913 -3.114 -6.460 1.00 0.00 ATOM 1000 O GLY 123 -12.836 -1.348 -5.116 1.00 0.00 ATOM 1001 C GLY 123 -11.842 -1.794 -5.699 1.00 0.00 ATOM 1002 N PHE 124 -10.659 -1.164 -5.731 1.00 0.00 ATOM 1003 CA PHE 124 -10.468 0.081 -5.028 1.00 0.00 ATOM 1004 CB PHE 124 -9.160 0.569 -5.330 1.00 0.00 ATOM 1005 CG PHE 124 -8.563 0.401 -3.960 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.128 1.034 -2.855 1.00 0.00 ATOM 1007 CD2 PHE 124 -7.442 -0.371 -3.764 1.00 0.00 ATOM 1008 CE1 PHE 124 -8.587 0.890 -1.598 1.00 0.00 ATOM 1009 CE2 PHE 124 -6.890 -0.541 -2.522 1.00 0.00 ATOM 1010 CZ PHE 124 -7.455 0.116 -1.440 1.00 0.00 ATOM 1011 O PHE 124 -11.008 1.124 -7.135 1.00 0.00 ATOM 1012 C PHE 124 -10.899 1.268 -5.904 1.00 0.00 ATOM 1013 N ASP 125 -11.171 2.406 -5.254 1.00 0.00 ATOM 1014 CA ASP 125 -11.603 3.634 -5.913 1.00 0.00 ATOM 1015 CB ASP 125 -13.056 3.953 -5.556 1.00 0.00 ATOM 1016 CG ASP 125 -14.025 2.913 -6.078 1.00 0.00 ATOM 1017 OD1 ASP 125 -14.143 2.777 -7.313 1.00 0.00 ATOM 1018 OD2 ASP 125 -14.671 2.234 -5.251 1.00 0.00 ATOM 1019 O ASP 125 -10.211 4.843 -4.379 1.00 0.00 ATOM 1020 C ASP 125 -10.739 4.805 -5.488 1.00 0.00 ATOM 1021 N ILE 126 -10.630 5.784 -6.359 1.00 0.00 ATOM 1022 CA ILE 126 -9.855 6.963 -6.045 1.00 0.00 ATOM 1023 CB ILE 126 -9.226 7.786 -6.771 1.00 0.00 ATOM 1024 CG1 ILE 126 -7.796 7.279 -6.649 1.00 0.00 ATOM 1025 CG2 ILE 126 -9.275 9.209 -6.223 1.00 0.00 ATOM 1026 CD1 ILE 126 -6.856 7.784 -7.739 1.00 0.00 ATOM 1027 O ILE 126 -11.761 7.815 -4.895 1.00 0.00 ATOM 1028 C ILE 126 -10.550 7.671 -4.890 1.00 0.00 ATOM 1029 N GLU 127 -9.799 8.111 -3.894 1.00 0.00 ATOM 1030 CA GLU 127 -10.447 8.706 -2.747 1.00 0.00 ATOM 1031 CB GLU 127 -10.864 7.374 -1.896 1.00 0.00 ATOM 1032 CG GLU 127 -12.344 7.303 -1.528 1.00 0.00 ATOM 1033 CD GLU 127 -12.981 8.662 -1.528 1.00 0.00 ATOM 1034 OE1 GLU 127 -12.698 9.558 -0.719 1.00 0.00 ATOM 1035 OE2 GLU 127 -13.878 8.753 -2.491 1.00 0.00 ATOM 1036 O GLU 127 -10.382 10.605 -1.343 1.00 0.00 ATOM 1037 C GLU 127 -9.804 9.956 -2.203 1.00 0.00 ATOM 1038 N LYS 128 -8.616 10.302 -2.647 1.00 0.00 ATOM 1039 CA LYS 128 -7.951 11.510 -2.179 1.00 0.00 ATOM 1040 CB LYS 128 -6.626 10.917 -1.506 1.00 0.00 ATOM 1041 CG LYS 128 -5.733 11.893 -0.818 1.00 0.00 ATOM 1042 CD LYS 128 -4.356 11.367 -0.385 1.00 0.00 ATOM 1043 CE LYS 128 -4.321 10.060 0.377 1.00 0.00 ATOM 1044 NZ LYS 128 -3.029 9.550 0.974 1.00 0.00 ATOM 1045 O LYS 128 -7.763 13.755 -2.980 1.00 0.00 ATOM 1046 C LYS 128 -7.760 12.558 -3.266 1.00 0.00 ATOM 1047 N GLY 129 -7.585 12.125 -4.509 1.00 0.00 ATOM 1048 CA GLY 129 -7.363 13.053 -5.600 1.00 0.00 ATOM 1049 O GLY 129 -5.733 11.511 -6.431 1.00 0.00 ATOM 1050 C GLY 129 -6.080 12.689 -6.331 1.00 0.00 ATOM 1051 N THR 130 -5.370 13.704 -6.807 1.00 0.00 ATOM 1052 CA THR 130 -4.124 13.487 -7.551 1.00 0.00 ATOM 1053 CB THR 130 -4.220 13.786 -9.052 1.00 0.00 ATOM 1054 CG2 THR 130 -5.436 13.147 -9.685 1.00 0.00 ATOM 1055 OG1 THR 130 -4.198 15.191 -9.339 1.00 0.00 ATOM 1056 O THR 130 -3.313 15.424 -6.382 1.00 0.00 ATOM 1057 C THR 130 -3.039 14.430 -7.072 1.00 0.00 ATOM 1058 N LYS 131 -1.793 14.062 -7.419 1.00 0.00 ATOM 1059 CA LYS 131 -0.665 14.942 -7.060 1.00 0.00 ATOM 1060 CB LYS 131 0.636 14.514 -8.056 1.00 0.00 ATOM 1061 CG LYS 131 1.758 13.538 -7.685 1.00 0.00 ATOM 1062 CD LYS 131 1.760 12.311 -8.581 1.00 0.00 ATOM 1063 CE LYS 131 0.968 11.149 -8.014 1.00 0.00 ATOM 1064 NZ LYS 131 1.637 10.641 -6.792 1.00 0.00 ATOM 1065 O LYS 131 -0.573 17.363 -7.059 1.00 0.00 ATOM 1066 C LYS 131 -0.768 16.312 -7.684 1.00 0.00 ATOM 1067 N THR 132 -1.055 16.276 -8.971 1.00 0.00 ATOM 1068 CA THR 132 -1.114 17.575 -9.600 1.00 0.00 ATOM 1069 CB THR 132 -1.116 17.417 -11.136 1.00 0.00 ATOM 1070 CG2 THR 132 -1.458 18.721 -11.873 1.00 0.00 ATOM 1071 OG1 THR 132 0.125 16.846 -11.549 1.00 0.00 ATOM 1072 O THR 132 -2.155 19.633 -8.970 1.00 0.00 ATOM 1073 C THR 132 -2.286 18.418 -9.077 1.00 0.00 ATOM 1074 N VAL 133 -3.441 17.860 -8.777 1.00 0.00 ATOM 1075 CA VAL 133 -4.554 18.664 -8.262 1.00 0.00 ATOM 1076 CB VAL 133 -5.790 17.794 -7.967 1.00 0.00 ATOM 1077 CG1 VAL 133 -6.853 18.608 -7.246 1.00 0.00 ATOM 1078 CG2 VAL 133 -6.387 17.262 -9.260 1.00 0.00 ATOM 1079 O VAL 133 -4.617 20.602 -6.856 1.00 0.00 ATOM 1080 C VAL 133 -4.291 19.422 -6.963 1.00 0.00 ATOM 1081 N ASN 134 -3.730 18.740 -5.971 1.00 0.00 ATOM 1082 CA ASN 134 -3.440 19.344 -4.673 1.00 0.00 ATOM 1083 CB ASN 134 -3.858 18.405 -3.540 1.00 0.00 ATOM 1084 CG ASN 134 -5.364 18.288 -3.408 1.00 0.00 ATOM 1085 ND2 ASN 134 -5.899 17.127 -3.768 1.00 0.00 ATOM 1086 OD1 ASN 134 -6.036 19.229 -2.984 1.00 0.00 ATOM 1087 O ASN 134 -1.436 19.722 -3.400 1.00 0.00 ATOM 1088 C ASN 134 -1.953 19.636 -4.521 1.00 0.00 ATOM 1089 N GLY 135 -1.277 19.809 -5.650 1.00 0.00 ATOM 1090 CA GLY 135 0.149 20.054 -5.635 1.00 0.00 ATOM 1091 O GLY 135 0.151 17.989 -6.830 1.00 0.00 ATOM 1092 C GLY 135 0.817 18.933 -6.405 1.00 0.00 ATOM 1093 N ILE 136 2.130 19.007 -6.557 1.00 0.00 ATOM 1094 CA ILE 136 2.872 17.998 -7.298 1.00 0.00 ATOM 1095 CB ILE 136 4.388 18.271 -7.266 1.00 0.00 ATOM 1096 CG1 ILE 136 4.707 19.583 -7.985 1.00 0.00 ATOM 1097 CG2 ILE 136 5.147 17.147 -7.952 1.00 0.00 ATOM 1098 CD1 ILE 136 6.131 20.054 -7.790 1.00 0.00 ATOM 1099 O ILE 136 3.016 16.253 -5.645 1.00 0.00 ATOM 1100 C ILE 136 2.718 16.573 -6.800 1.00 0.00 ATOM 1101 N SER 137 2.226 15.729 -7.699 1.00 0.00 ATOM 1102 CA SER 137 2.036 14.313 -7.435 1.00 0.00 ATOM 1103 CB SER 137 3.218 13.498 -8.066 1.00 0.00 ATOM 1104 OG SER 137 4.460 13.980 -7.613 1.00 0.00 ATOM 1105 O SER 137 1.109 12.910 -5.731 1.00 0.00 ATOM 1106 C SER 137 1.014 13.963 -6.357 1.00 0.00 ATOM 1107 N VAL 138 0.051 14.866 -6.133 1.00 0.00 ATOM 1108 CA VAL 138 -1.001 14.635 -5.163 1.00 0.00 ATOM 1109 CB VAL 138 -1.191 15.866 -4.246 1.00 0.00 ATOM 1110 CG1 VAL 138 -2.399 15.666 -3.301 1.00 0.00 ATOM 1111 CG2 VAL 138 0.038 16.010 -3.395 1.00 0.00 ATOM 1112 O VAL 138 -2.523 15.222 -6.928 1.00 0.00 ATOM 1113 C VAL 138 -2.176 14.379 -6.096 1.00 0.00 ATOM 1114 N PHE 139 -2.751 13.180 -5.968 1.00 0.00 ATOM 1115 CA PHE 139 -3.836 12.791 -6.843 1.00 0.00 ATOM 1116 CB PHE 139 -3.342 11.857 -7.986 1.00 0.00 ATOM 1117 CG PHE 139 -4.453 11.593 -8.983 1.00 0.00 ATOM 1118 CD1 PHE 139 -5.309 10.506 -8.797 1.00 0.00 ATOM 1119 CD2 PHE 139 -4.621 12.449 -10.071 1.00 0.00 ATOM 1120 CE1 PHE 139 -6.338 10.252 -9.701 1.00 0.00 ATOM 1121 CE2 PHE 139 -5.648 12.205 -10.987 1.00 0.00 ATOM 1122 CZ PHE 139 -6.494 11.112 -10.794 1.00 0.00 ATOM 1123 O PHE 139 -4.377 11.136 -5.210 1.00 0.00 ATOM 1124 C PHE 139 -4.780 11.841 -6.146 1.00 0.00 ATOM 1125 N ALA 140 -6.920 11.512 -6.783 1.00 0.00 ATOM 1126 CA ALA 140 -7.725 11.008 -5.680 1.00 0.00 ATOM 1127 CB ALA 140 -7.603 11.908 -4.509 1.00 0.00 ATOM 1128 O ALA 140 -9.529 12.162 -6.739 1.00 0.00 ATOM 1129 C ALA 140 -9.176 11.183 -6.081 1.00 0.00 ATOM 1130 N ASN 141 -10.000 10.220 -5.688 1.00 0.00 ATOM 1131 CA ASN 141 -11.421 10.255 -5.997 1.00 0.00 ATOM 1132 CB ASN 141 -12.076 11.462 -5.327 1.00 0.00 ATOM 1133 CG ASN 141 -13.565 11.293 -5.161 1.00 0.00 ATOM 1134 ND2 ASN 141 -14.052 10.089 -5.421 1.00 0.00 ATOM 1135 OD1 ASN 141 -14.274 12.232 -4.796 1.00 0.00 ATOM 1136 O ASN 141 -12.439 11.034 -8.039 1.00 0.00 ATOM 1137 C ASN 141 -11.548 10.364 -7.516 1.00 0.00 ATOM 1138 N TYR 142 -10.631 9.695 -8.209 1.00 0.00 ATOM 1139 CA TYR 142 -10.585 9.685 -9.665 1.00 0.00 ATOM 1140 CB TYR 142 -9.342 8.913 -10.107 1.00 0.00 ATOM 1141 CG TYR 142 -8.966 9.098 -11.557 1.00 0.00 ATOM 1142 CD1 TYR 142 -8.522 10.332 -12.034 1.00 0.00 ATOM 1143 CD2 TYR 142 -9.034 8.031 -12.449 1.00 0.00 ATOM 1144 CE1 TYR 142 -8.150 10.495 -13.371 1.00 0.00 ATOM 1145 CE2 TYR 142 -8.668 8.182 -13.778 1.00 0.00 ATOM 1146 CZ TYR 142 -8.227 9.409 -14.234 1.00 0.00 ATOM 1147 OH TYR 142 -7.860 9.532 -15.548 1.00 0.00 ATOM 1148 O TYR 142 -12.312 8.015 -9.807 1.00 0.00 ATOM 1149 C TYR 142 -11.848 9.056 -10.268 1.00 0.00 ATOM 1150 N ASP 143 -12.393 9.691 -11.304 1.00 0.00 ATOM 1151 CA ASP 143 -13.613 9.220 -11.969 1.00 0.00 ATOM 1152 CB ASP 143 -14.449 10.425 -12.437 1.00 0.00 ATOM 1153 CG ASP 143 -15.763 10.022 -13.101 1.00 0.00 ATOM 1154 OD1 ASP 143 -16.203 8.860 -12.948 1.00 0.00 ATOM 1155 OD2 ASP 143 -16.369 10.884 -13.771 1.00 0.00 ATOM 1156 O ASP 143 -12.841 8.764 -14.194 1.00 0.00 ATOM 1157 C ASP 143 -13.314 8.310 -13.152 1.00 0.00 ATOM 1158 N GLY 144 -13.621 7.028 -12.989 1.00 0.00 ATOM 1159 CA GLY 144 -13.366 6.044 -14.026 1.00 0.00 ATOM 1160 O GLY 144 -10.997 6.064 -13.641 1.00 0.00 ATOM 1161 C GLY 144 -11.922 5.792 -14.430 1.00 0.00 ATOM 1162 N PRO 145 -11.720 5.247 -15.659 1.00 0.00 ATOM 1163 CA PRO 145 -10.462 4.892 -16.322 1.00 0.00 ATOM 1164 CB PRO 145 -10.904 4.493 -17.734 1.00 0.00 ATOM 1165 CG PRO 145 -12.185 3.813 -17.469 1.00 0.00 ATOM 1166 CD PRO 145 -12.859 4.776 -16.482 1.00 0.00 ATOM 1167 O PRO 145 -9.660 7.192 -16.547 1.00 0.00 ATOM 1168 C PRO 145 -9.401 5.984 -16.344 1.00 0.00 ATOM 1169 N GLY 146 -8.193 5.498 -16.108 1.00 0.00 ATOM 1170 CA GLY 146 -7.050 6.351 -16.086 1.00 0.00 ATOM 1171 O GLY 146 -6.687 5.994 -18.477 1.00 0.00 ATOM 1172 C GLY 146 -6.205 6.116 -17.328 1.00 0.00 ATOM 1173 N GLN 147 -4.923 6.063 -17.024 1.00 0.00 ATOM 1174 CA GLN 147 -3.899 5.918 -18.061 1.00 0.00 ATOM 1175 CB GLN 147 -2.575 6.507 -17.560 1.00 0.00 ATOM 1176 CG GLN 147 -2.566 8.009 -17.429 1.00 0.00 ATOM 1177 CD GLN 147 -1.188 8.567 -17.111 1.00 0.00 ATOM 1178 OE1 GLN 147 -0.215 7.812 -17.056 1.00 0.00 ATOM 1179 NE2 GLN 147 -1.098 9.875 -16.904 1.00 0.00 ATOM 1180 O GLN 147 -3.691 3.572 -17.480 1.00 0.00 ATOM 1181 C GLN 147 -3.705 4.448 -18.384 1.00 0.00 ATOM 1182 N ASP 148 -3.515 4.122 -19.656 1.00 0.00 ATOM 1183 CA ASP 148 -3.249 2.740 -20.044 1.00 0.00 ATOM 1184 CB ASP 148 -3.138 2.622 -21.568 1.00 0.00 ATOM 1185 CG ASP 148 -4.490 2.639 -22.264 1.00 0.00 ATOM 1186 OD1 ASP 148 -4.508 2.681 -23.513 1.00 0.00 ATOM 1187 OD2 ASP 148 -5.530 2.606 -21.570 1.00 0.00 ATOM 1188 O ASP 148 -1.968 1.113 -18.852 1.00 0.00 ATOM 1189 C ASP 148 -1.973 2.206 -19.409 1.00 0.00 ATOM 1190 N ARG 149 -0.895 2.985 -19.495 1.00 0.00 ATOM 1191 CA ARG 149 0.397 2.582 -18.947 1.00 0.00 ATOM 1192 CB ARG 149 1.472 3.600 -19.341 1.00 0.00 ATOM 1193 CG ARG 149 2.910 3.137 -19.134 1.00 0.00 ATOM 1194 CD ARG 149 3.230 1.899 -19.970 1.00 0.00 ATOM 1195 NE ARG 149 2.623 1.967 -21.301 1.00 0.00 ATOM 1196 CZ ARG 149 2.951 2.847 -22.241 1.00 0.00 ATOM 1197 NH1 ARG 149 3.900 3.747 -22.020 1.00 0.00 ATOM 1198 NH2 ARG 149 2.308 2.847 -23.401 1.00 0.00 ATOM 1199 O ARG 149 0.962 1.516 -16.875 1.00 0.00 ATOM 1200 C ARG 149 0.363 2.437 -17.429 1.00 0.00 ATOM 1201 N VAL 150 -0.329 3.353 -16.756 1.00 0.00 ATOM 1202 CA VAL 150 -0.428 3.297 -15.305 1.00 0.00 ATOM 1203 CB VAL 150 -1.046 4.717 -14.814 1.00 0.00 ATOM 1204 CG1 VAL 150 -1.171 4.744 -13.303 1.00 0.00 ATOM 1205 CG2 VAL 150 -0.216 5.901 -15.301 1.00 0.00 ATOM 1206 O VAL 150 -0.796 1.358 -13.944 1.00 0.00 ATOM 1207 C VAL 150 -1.192 2.048 -14.881 1.00 0.00 ATOM 1208 N LEU 151 -2.279 1.742 -15.576 1.00 0.00 ATOM 1209 CA LEU 151 -3.057 0.557 -15.243 1.00 0.00 ATOM 1210 CB LEU 151 -4.257 0.406 -16.162 1.00 0.00 ATOM 1211 CG LEU 151 -5.432 1.312 -15.814 1.00 0.00 ATOM 1212 CD1 LEU 151 -6.420 1.353 -16.966 1.00 0.00 ATOM 1213 CD2 LEU 151 -6.083 0.797 -14.540 1.00 0.00 ATOM 1214 O LEU 151 -2.364 -1.674 -14.724 1.00 0.00 ATOM 1215 C LEU 151 -2.232 -0.705 -15.467 1.00 0.00 ATOM 1216 N PHE 152 -1.383 -0.697 -16.484 1.00 0.00 ATOM 1217 CA PHE 152 -0.524 -1.860 -16.741 1.00 0.00 ATOM 1218 CB PHE 152 -0.355 -2.079 -18.245 1.00 0.00 ATOM 1219 CG PHE 152 -1.601 -2.555 -18.933 1.00 0.00 ATOM 1220 CD1 PHE 152 -2.672 -3.034 -18.201 1.00 0.00 ATOM 1221 CD2 PHE 152 -1.703 -2.523 -20.314 1.00 0.00 ATOM 1222 CE1 PHE 152 -3.821 -3.474 -18.834 1.00 0.00 ATOM 1223 CE2 PHE 152 -2.852 -2.961 -20.947 1.00 0.00 ATOM 1224 CZ PHE 152 -3.908 -3.434 -20.213 1.00 0.00 ATOM 1225 O PHE 152 1.867 -1.992 -16.786 1.00 0.00 ATOM 1226 C PHE 152 0.867 -1.684 -16.137 1.00 0.00 ATOM 1227 N VAL 153 0.974 -1.199 -14.909 1.00 0.00 ATOM 1228 CA VAL 153 2.215 -0.978 -14.210 1.00 0.00 ATOM 1229 CB VAL 153 2.021 -0.174 -12.927 1.00 0.00 ATOM 1230 CG1 VAL 153 3.264 -0.185 -12.078 1.00 0.00 ATOM 1231 CG2 VAL 153 1.685 1.255 -13.250 1.00 0.00 ATOM 1232 O VAL 153 4.179 -2.354 -14.263 1.00 0.00 ATOM 1233 C VAL 153 2.948 -2.290 -14.022 1.00 0.00 ATOM 1234 N LYS 154 2.256 -3.336 -13.664 1.00 0.00 ATOM 1235 CA LYS 154 2.830 -4.667 -13.473 1.00 0.00 ATOM 1236 CB LYS 154 1.739 -5.589 -12.910 1.00 0.00 ATOM 1237 CG LYS 154 2.131 -7.035 -12.708 1.00 0.00 ATOM 1238 CD LYS 154 1.342 -7.631 -11.545 1.00 0.00 ATOM 1239 CE LYS 154 -0.168 -7.587 -11.776 1.00 0.00 ATOM 1240 NZ LYS 154 -0.954 -7.684 -10.499 1.00 0.00 ATOM 1241 O LYS 154 4.468 -5.776 -14.839 1.00 0.00 ATOM 1242 C LYS 154 3.389 -5.224 -14.788 1.00 0.00 ATOM 1243 N ASN 155 2.614 -5.064 -15.849 1.00 0.00 ATOM 1244 CA ASN 155 2.999 -5.550 -17.178 1.00 0.00 ATOM 1245 CB ASN 155 1.769 -5.947 -17.985 1.00 0.00 ATOM 1246 CG ASN 155 1.384 -7.376 -17.776 1.00 0.00 ATOM 1247 ND2 ASN 155 2.159 -8.296 -18.354 1.00 0.00 ATOM 1248 OD1 ASN 155 0.387 -7.662 -17.113 1.00 0.00 ATOM 1249 O ASN 155 4.125 -4.858 -19.168 1.00 0.00 ATOM 1250 C ASN 155 3.800 -4.571 -18.015 1.00 0.00 ATOM 1251 N ILE 156 4.034 -3.381 -17.465 1.00 0.00 ATOM 1252 CA ILE 156 4.795 -2.377 -18.218 1.00 0.00 ATOM 1253 CB ILE 156 4.846 -1.006 -17.475 1.00 0.00 ATOM 1254 CG1 ILE 156 3.430 -0.418 -17.391 1.00 0.00 ATOM 1255 CG2 ILE 156 5.759 -0.038 -18.212 1.00 0.00 ATOM 1256 CD1 ILE 156 3.351 0.860 -16.617 1.00 0.00 ATOM 1257 O ILE 156 6.598 -2.916 -19.730 1.00 0.00 ATOM 1258 C ILE 156 6.219 -2.887 -18.556 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 15:55:30 2002 Date: Thu, 5 Sep 2002 15:55:24 -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 Sep 5 15:26:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_498107_42121 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_1 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_498107_42121 4069-6308-1312 09/05/02 15:26:52 karplus@cse.ucsc.edu T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_498107_42121 4069-6308-1312 09/05/02 15:26:52 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 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: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 1 PARENT N/A ATOM 1 N MET 1 -5.933 -12.711 11.403 1.00 0.00 ATOM 2 CA MET 1 -5.483 -12.151 12.621 1.00 0.00 ATOM 3 CB MET 1 -6.762 -12.848 13.601 1.00 0.00 ATOM 4 CG MET 1 -6.234 -14.029 14.399 1.00 0.00 ATOM 5 SD MET 1 -5.603 -15.352 13.348 1.00 0.00 ATOM 6 CE MET 1 -3.854 -15.279 13.725 1.00 0.00 ATOM 7 O MET 1 -3.487 -11.363 13.625 1.00 0.00 ATOM 8 C MET 1 -4.025 -11.739 12.571 1.00 0.00 ATOM 9 N ASP 2 -3.405 -11.788 11.385 1.00 0.00 ATOM 10 CA ASP 2 -2.007 -11.436 11.233 1.00 0.00 ATOM 11 CB ASP 2 -1.132 -12.662 11.483 1.00 0.00 ATOM 12 CG ASP 2 0.324 -12.304 11.771 1.00 0.00 ATOM 13 OD1 ASP 2 0.657 -11.103 11.930 1.00 0.00 ATOM 14 OD2 ASP 2 1.140 -13.247 11.841 1.00 0.00 ATOM 15 O ASP 2 -2.646 -10.996 8.956 1.00 0.00 ATOM 16 C ASP 2 -1.765 -10.945 9.820 1.00 0.00 ATOM 17 N ILE 3 -0.559 -10.462 9.607 1.00 0.00 ATOM 18 CA ILE 3 -0.157 -9.996 8.265 1.00 0.00 ATOM 19 CB ILE 3 0.226 -8.483 8.289 1.00 0.00 ATOM 20 CG1 ILE 3 -1.063 -7.650 8.306 1.00 0.00 ATOM 21 CG2 ILE 3 1.067 -8.080 7.044 1.00 0.00 ATOM 22 CD1 ILE 3 -0.862 -6.181 8.568 1.00 0.00 ATOM 23 O ILE 3 1.853 -11.196 8.810 1.00 0.00 ATOM 24 C ILE 3 1.093 -10.764 7.917 1.00 0.00 ATOM 25 N ARG 4 1.316 -11.007 6.640 1.00 0.00 ATOM 26 CA ARG 4 2.464 -11.743 6.163 1.00 0.00 ATOM 27 CB ARG 4 2.136 -13.205 5.959 1.00 0.00 ATOM 28 CG ARG 4 0.905 -13.454 5.085 1.00 0.00 ATOM 29 CD ARG 4 0.449 -14.901 5.286 1.00 0.00 ATOM 30 NE ARG 4 1.457 -15.839 4.796 1.00 0.00 ATOM 31 CZ ARG 4 1.360 -17.157 4.916 1.00 0.00 ATOM 32 NH1 ARG 4 0.336 -17.691 5.563 1.00 0.00 ATOM 33 NH2 ARG 4 2.283 -17.955 4.383 1.00 0.00 ATOM 34 O ARG 4 1.938 -10.635 4.097 1.00 0.00 ATOM 35 C ARG 4 2.745 -11.323 4.709 1.00 0.00 ATOM 36 N THR 5 3.886 -11.739 4.176 1.00 0.00 ATOM 37 CA THR 5 4.223 -11.470 2.781 1.00 0.00 ATOM 38 CB THR 5 5.670 -11.895 2.460 1.00 0.00 ATOM 39 CG2 THR 5 6.657 -11.119 3.319 1.00 0.00 ATOM 40 OG1 THR 5 5.828 -13.293 2.719 1.00 0.00 ATOM 41 O THR 5 2.754 -13.308 2.244 1.00 0.00 ATOM 42 C THR 5 3.271 -12.252 1.878 1.00 0.00 ATOM 43 N ILE 6 3.068 -11.733 0.675 1.00 0.00 ATOM 44 CA ILE 6 2.209 -12.371 -0.282 1.00 0.00 ATOM 45 CB ILE 6 2.143 -11.601 -1.639 1.00 0.00 ATOM 46 CG1 ILE 6 1.520 -10.210 -1.441 1.00 0.00 ATOM 47 CG2 ILE 6 1.363 -12.414 -2.683 1.00 0.00 ATOM 48 CD1 ILE 6 0.051 -10.224 -1.081 1.00 0.00 ATOM 49 O ILE 6 4.039 -13.850 -0.735 1.00 0.00 ATOM 50 C ILE 6 2.832 -13.689 -0.737 1.00 0.00 ATOM 51 N THR 7 2.005 -14.638 -1.142 1.00 0.00 ATOM 52 CA THR 7 2.538 -15.913 -1.607 1.00 0.00 ATOM 53 CB THR 7 2.256 -17.046 -0.602 1.00 0.00 ATOM 54 CG2 THR 7 2.845 -16.709 0.757 1.00 0.00 ATOM 55 OG1 THR 7 0.841 -17.225 -0.467 1.00 0.00 ATOM 56 O THR 7 0.850 -15.711 -3.288 1.00 0.00 ATOM 57 C THR 7 1.892 -16.264 -2.929 1.00 0.00 ATOM 58 N SER 8 2.517 -17.199 -3.639 1.00 0.00 ATOM 59 CA SER 8 2.040 -17.677 -4.928 1.00 0.00 ATOM 60 CB SER 8 2.861 -18.882 -5.390 1.00 0.00 ATOM 61 OG SER 8 4.205 -18.519 -5.640 1.00 0.00 ATOM 62 O SER 8 -0.127 -17.870 -5.846 1.00 0.00 ATOM 63 C SER 8 0.599 -18.106 -4.900 1.00 0.00 ATOM 64 N SER 9 0.189 -18.753 -3.814 1.00 0.00 ATOM 65 CA SER 9 -1.200 -19.184 -3.696 1.00 0.00 ATOM 66 CB SER 9 -1.363 -20.143 -2.513 1.00 0.00 ATOM 67 OG SER 9 -1.134 -19.480 -1.284 1.00 0.00 ATOM 68 O SER 9 -3.391 -18.329 -3.502 1.00 0.00 ATOM 69 C SER 9 -2.196 -18.065 -3.472 1.00 0.00 ATOM 70 N ASP 10 -1.740 -16.819 -3.261 1.00 0.00 ATOM 71 CA ASP 10 -2.692 -15.701 -3.031 1.00 0.00 ATOM 72 CB ASP 10 -1.991 -14.529 -2.340 1.00 0.00 ATOM 73 CG ASP 10 -1.616 -14.840 -0.905 1.00 0.00 ATOM 74 OD1 ASP 10 -1.616 -13.904 -0.076 1.00 0.00 ATOM 75 OD2 ASP 10 -1.321 -16.017 -0.609 1.00 0.00 ATOM 76 O ASP 10 -4.153 -14.269 -4.285 1.00 0.00 ATOM 77 C ASP 10 -3.317 -15.144 -4.343 1.00 0.00 ATOM 78 N TYR 11 -2.937 -15.651 -5.511 1.00 0.00 ATOM 79 CA TYR 11 -3.470 -15.072 -6.754 1.00 0.00 ATOM 80 CB TYR 11 -3.295 -16.076 -7.905 1.00 0.00 ATOM 81 CG TYR 11 -3.900 -15.603 -9.202 1.00 0.00 ATOM 82 CD1 TYR 11 -3.190 -14.765 -10.056 1.00 0.00 ATOM 83 CD2 TYR 11 -5.200 -15.944 -9.544 1.00 0.00 ATOM 84 CE1 TYR 11 -3.765 -14.277 -11.208 1.00 0.00 ATOM 85 CE2 TYR 11 -5.781 -15.455 -10.691 1.00 0.00 ATOM 86 CZ TYR 11 -5.060 -14.621 -11.520 1.00 0.00 ATOM 87 OH TYR 11 -5.642 -14.111 -12.661 1.00 0.00 ATOM 88 O TYR 11 -5.290 -13.581 -7.056 1.00 0.00 ATOM 89 C TYR 11 -4.954 -14.710 -6.828 1.00 0.00 ATOM 90 N GLU 12 -5.844 -15.667 -6.651 1.00 0.00 ATOM 91 CA GLU 12 -7.275 -15.402 -6.699 1.00 0.00 ATOM 92 CB GLU 12 -8.066 -16.639 -6.272 1.00 0.00 ATOM 93 CG GLU 12 -9.574 -16.456 -6.305 1.00 0.00 ATOM 94 CD GLU 12 -10.322 -17.720 -5.926 1.00 0.00 ATOM 95 OE1 GLU 12 -9.660 -18.736 -5.630 1.00 0.00 ATOM 96 OE2 GLU 12 -11.570 -17.691 -5.920 1.00 0.00 ATOM 97 O GLU 12 -8.252 -13.287 -6.268 1.00 0.00 ATOM 98 C GLU 12 -7.702 -14.277 -5.801 1.00 0.00 ATOM 99 N MET 13 -7.454 -14.439 -4.504 1.00 0.00 ATOM 100 CA MET 13 -7.886 -13.452 -3.532 1.00 0.00 ATOM 101 CB MET 13 -7.480 -14.008 -2.100 1.00 0.00 ATOM 102 CG MET 13 -8.134 -15.316 -1.666 1.00 0.00 ATOM 103 SD MET 13 -7.971 -15.635 0.095 1.00 0.00 ATOM 104 CE MET 13 -6.469 -16.380 0.159 1.00 0.00 ATOM 105 O MET 13 -8.038 -11.092 -3.407 1.00 0.00 ATOM 106 C MET 13 -7.329 -12.052 -3.645 1.00 0.00 ATOM 107 N VAL 14 -6.064 -11.963 -4.017 1.00 0.00 ATOM 108 CA VAL 14 -5.344 -10.721 -4.199 1.00 0.00 ATOM 109 CB VAL 14 -3.815 -10.873 -4.363 1.00 0.00 ATOM 110 CG1 VAL 14 -3.430 -11.532 -5.676 1.00 0.00 ATOM 111 CG2 VAL 14 -3.129 -9.525 -4.233 1.00 0.00 ATOM 112 O VAL 14 -6.135 -8.839 -5.401 1.00 0.00 ATOM 113 C VAL 14 -5.865 -10.024 -5.440 1.00 0.00 ATOM 114 N THR 15 -6.026 -10.737 -6.544 1.00 0.00 ATOM 115 CA THR 15 -6.560 -10.064 -7.730 1.00 0.00 ATOM 116 CB THR 15 -6.635 -11.019 -8.935 1.00 0.00 ATOM 117 CG2 THR 15 -7.234 -10.310 -10.138 1.00 0.00 ATOM 118 OG1 THR 15 -5.318 -11.474 -9.271 1.00 0.00 ATOM 119 O THR 15 -8.383 -8.469 -7.806 1.00 0.00 ATOM 120 C THR 15 -7.954 -9.568 -7.395 1.00 0.00 ATOM 121 N SER 16 -8.672 -10.361 -6.617 1.00 0.00 ATOM 122 CA SER 16 -10.004 -9.968 -6.244 1.00 0.00 ATOM 123 CB SER 16 -10.685 -11.078 -5.443 1.00 0.00 ATOM 124 OG SER 16 -10.891 -12.232 -6.242 1.00 0.00 ATOM 125 O SER 16 -10.829 -7.808 -5.598 1.00 0.00 ATOM 126 C SER 16 -10.004 -8.695 -5.372 1.00 0.00 ATOM 127 N VAL 17 -9.107 -8.563 -4.393 1.00 0.00 ATOM 128 CA VAL 17 -9.178 -7.338 -3.596 1.00 0.00 ATOM 129 CB VAL 17 -7.928 -7.495 -2.475 1.00 0.00 ATOM 130 CG1 VAL 17 -7.990 -6.645 -1.203 1.00 0.00 ATOM 131 CG2 VAL 17 -7.582 -8.928 -2.080 1.00 0.00 ATOM 132 O VAL 17 -8.951 -4.990 -4.027 1.00 0.00 ATOM 133 C VAL 17 -8.550 -6.120 -4.299 1.00 0.00 ATOM 134 N LEU 18 -7.633 -6.363 -5.249 1.00 0.00 ATOM 135 CA LEU 18 -6.985 -5.295 -6.011 1.00 0.00 ATOM 136 CB LEU 18 -5.611 -5.898 -6.462 1.00 0.00 ATOM 137 CG LEU 18 -4.830 -5.068 -7.484 1.00 0.00 ATOM 138 CD1 LEU 18 -4.342 -3.755 -6.868 1.00 0.00 ATOM 139 CD2 LEU 18 -3.678 -5.890 -8.038 1.00 0.00 ATOM 140 O LEU 18 -7.760 -3.543 -7.427 1.00 0.00 ATOM 141 C LEU 18 -7.958 -4.682 -6.995 1.00 0.00 ATOM 142 N ASN 19 -9.004 -5.439 -7.340 1.00 0.00 ATOM 143 CA ASN 19 -10.013 -4.955 -8.284 1.00 0.00 ATOM 144 CB ASN 19 -11.108 -6.005 -8.482 1.00 0.00 ATOM 145 CG ASN 19 -12.073 -5.639 -9.591 1.00 0.00 ATOM 146 ND2 ASN 19 -13.343 -5.479 -9.240 1.00 0.00 ATOM 147 OD1 ASN 19 -11.677 -5.504 -10.750 1.00 0.00 ATOM 148 O ASN 19 -11.111 -2.836 -8.510 1.00 0.00 ATOM 149 C ASN 19 -10.653 -3.678 -7.759 1.00 0.00 ATOM 150 N GLU 20 -10.701 -3.571 -6.453 1.00 0.00 ATOM 151 CA GLU 20 -11.283 -2.430 -5.758 1.00 0.00 ATOM 152 CB GLU 20 -11.459 -2.784 -4.268 1.00 0.00 ATOM 153 CG GLU 20 -12.126 -1.700 -3.389 1.00 0.00 ATOM 154 CD GLU 20 -13.578 -1.371 -3.748 1.00 0.00 ATOM 155 OE1 GLU 20 -14.241 -0.712 -2.916 1.00 0.00 ATOM 156 OE2 GLU 20 -14.071 -1.736 -4.846 1.00 0.00 ATOM 157 O GLU 20 -10.960 -0.059 -6.070 1.00 0.00 ATOM 158 C GLU 20 -10.474 -1.170 -6.111 1.00 0.00 ATOM 159 N TRP 21 -9.222 -1.369 -6.468 1.00 0.00 ATOM 160 CA TRP 21 -8.350 -0.269 -6.793 1.00 0.00 ATOM 161 CB TRP 21 -6.880 -0.550 -6.427 1.00 0.00 ATOM 162 CG TRP 21 -5.999 0.665 -6.547 1.00 0.00 ATOM 163 CD1 TRP 21 -5.760 1.616 -5.602 1.00 0.00 ATOM 164 CD2 TRP 21 -5.232 1.041 -7.695 1.00 0.00 ATOM 165 CE2 TRP 21 -4.555 2.233 -7.377 1.00 0.00 ATOM 166 CE3 TRP 21 -5.057 0.469 -8.963 1.00 0.00 ATOM 167 NE1 TRP 21 -4.890 2.570 -6.090 1.00 0.00 ATOM 168 CZ2 TRP 21 -3.718 2.871 -8.291 1.00 0.00 ATOM 169 CZ3 TRP 21 -4.227 1.101 -9.869 1.00 0.00 ATOM 170 CH2 TRP 21 -3.570 2.288 -9.521 1.00 0.00 ATOM 171 O TRP 21 -8.633 1.182 -8.664 1.00 0.00 ATOM 172 C TRP 21 -8.466 0.042 -8.278 1.00 0.00 ATOM 173 N TRP 22 -8.400 -0.969 -9.122 1.00 0.00 ATOM 174 CA TRP 22 -8.446 -0.713 -10.541 1.00 0.00 ATOM 175 CB TRP 22 -7.130 -0.013 -11.035 1.00 0.00 ATOM 176 CG TRP 22 -7.365 0.896 -12.224 1.00 0.00 ATOM 177 CD1 TRP 22 -6.827 0.834 -13.472 1.00 0.00 ATOM 178 CD2 TRP 22 -8.242 2.032 -12.243 1.00 0.00 ATOM 179 CE2 TRP 22 -8.181 2.602 -13.524 1.00 0.00 ATOM 180 CE3 TRP 22 -9.070 2.615 -11.275 1.00 0.00 ATOM 181 NE1 TRP 22 -7.303 1.854 -14.274 1.00 0.00 ATOM 182 CZ2 TRP 22 -8.926 3.734 -13.865 1.00 0.00 ATOM 183 CZ3 TRP 22 -9.806 3.736 -11.625 1.00 0.00 ATOM 184 CH2 TRP 22 -9.736 4.293 -12.908 1.00 0.00 ATOM 185 O TRP 22 -9.183 -2.955 -10.786 1.00 0.00 ATOM 186 C TRP 22 -8.632 -2.000 -11.310 1.00 0.00 ATOM 187 N GLY 23 -8.165 -2.012 -12.560 1.00 0.00 ATOM 188 CA GLY 23 -8.255 -3.177 -13.423 1.00 0.00 ATOM 189 O GLY 23 -5.885 -3.624 -13.311 1.00 0.00 ATOM 190 C GLY 23 -7.037 -4.071 -13.227 1.00 0.00 ATOM 191 N GLY 24 -7.291 -5.347 -12.957 1.00 0.00 ATOM 192 CA GLY 24 -6.188 -6.274 -12.735 1.00 0.00 ATOM 193 O GLY 24 -4.762 -7.465 -14.250 1.00 0.00 ATOM 194 C GLY 24 -5.919 -7.152 -13.950 1.00 0.00 ATOM 195 N ARG 25 -6.974 -7.545 -14.653 1.00 0.00 ATOM 196 CA ARG 25 -6.789 -8.355 -15.839 1.00 0.00 ATOM 197 CB ARG 25 -5.595 -7.851 -16.650 1.00 0.00 ATOM 198 CG ARG 25 -5.781 -6.460 -17.235 1.00 0.00 ATOM 199 CD ARG 25 -4.550 -6.016 -18.009 1.00 0.00 ATOM 200 NE ARG 25 -4.707 -4.672 -18.562 1.00 0.00 ATOM 201 CZ ARG 25 -3.748 -4.012 -19.200 1.00 0.00 ATOM 202 NH1 ARG 25 -3.982 -2.794 -19.670 1.00 0.00 ATOM 203 NH2 ARG 25 -2.557 -4.568 -19.369 1.00 0.00 ATOM 204 O ARG 25 -6.649 -10.412 -14.556 1.00 0.00 ATOM 205 C ARG 25 -6.523 -9.841 -15.646 1.00 0.00 ATOM 206 N GLN 26 -6.166 -10.484 -16.747 1.00 0.00 ATOM 207 CA GLN 26 -5.874 -11.913 -16.765 1.00 0.00 ATOM 208 CB GLN 26 -6.010 -12.471 -18.184 1.00 0.00 ATOM 209 CG GLN 26 -5.806 -13.973 -18.280 1.00 0.00 ATOM 210 CD GLN 26 -6.012 -14.501 -19.688 1.00 0.00 ATOM 211 OE1 GLN 26 -6.302 -13.739 -20.609 1.00 0.00 ATOM 212 NE2 GLN 26 -5.870 -15.811 -19.855 1.00 0.00 ATOM 213 O GLN 26 -3.520 -11.494 -16.749 1.00 0.00 ATOM 214 C GLN 26 -4.452 -12.141 -16.277 1.00 0.00 ATOM 215 N LEU 27 -4.264 -13.049 -15.332 1.00 0.00 ATOM 216 CA LEU 27 -2.944 -13.363 -14.820 1.00 0.00 ATOM 217 CB LEU 27 -2.837 -13.054 -13.320 1.00 0.00 ATOM 218 CG LEU 27 -2.855 -11.600 -12.842 1.00 0.00 ATOM 219 CD1 LEU 27 -2.817 -11.556 -11.318 1.00 0.00 ATOM 220 CD2 LEU 27 -1.668 -10.864 -13.390 1.00 0.00 ATOM 221 O LEU 27 -3.786 -15.592 -15.070 1.00 0.00 ATOM 222 C LEU 27 -2.801 -14.874 -14.904 1.00 0.00 ATOM 223 N LYS 28 -1.579 -15.350 -14.809 1.00 0.00 ATOM 224 CA LYS 28 -1.329 -16.793 -14.850 1.00 0.00 ATOM 225 CB LYS 28 -0.708 -17.230 -16.210 1.00 0.00 ATOM 226 CG LYS 28 -1.340 -16.677 -17.489 1.00 0.00 ATOM 227 CD LYS 28 -0.505 -17.039 -18.708 1.00 0.00 ATOM 228 CE LYS 28 -0.697 -16.038 -19.836 1.00 0.00 ATOM 229 NZ LYS 28 -0.195 -14.681 -19.459 1.00 0.00 ATOM 230 O LYS 28 0.355 -16.302 -13.153 1.00 0.00 ATOM 231 C LYS 28 -0.380 -17.173 -13.691 1.00 0.00 ATOM 232 N GLU 29 -0.443 -18.458 -13.345 1.00 0.00 ATOM 233 CA GLU 29 0.451 -19.022 -12.332 1.00 0.00 ATOM 234 CB GLU 29 0.443 -20.551 -12.405 1.00 0.00 ATOM 235 CG GLU 29 -0.869 -21.188 -11.986 1.00 0.00 ATOM 236 CD GLU 29 -0.856 -22.698 -12.120 1.00 0.00 ATOM 237 OE1 GLU 29 0.166 -23.241 -12.590 1.00 0.00 ATOM 238 OE2 GLU 29 -1.864 -23.337 -11.754 1.00 0.00 ATOM 239 O GLU 29 2.641 -18.434 -11.535 1.00 0.00 ATOM 240 C GLU 29 1.891 -18.563 -12.508 1.00 0.00 ATOM 241 N LYS 30 2.296 -18.318 -13.737 1.00 0.00 ATOM 242 CA LYS 30 3.676 -17.896 -13.971 1.00 0.00 ATOM 243 CB LYS 30 4.033 -18.018 -15.454 1.00 0.00 ATOM 244 CG LYS 30 5.469 -17.650 -15.781 1.00 0.00 ATOM 245 CD LYS 30 5.767 -17.846 -17.257 1.00 0.00 ATOM 246 CE LYS 30 7.202 -17.462 -17.585 1.00 0.00 ATOM 247 NZ LYS 30 7.513 -17.659 -19.028 1.00 0.00 ATOM 248 O LYS 30 4.886 -16.133 -12.902 1.00 0.00 ATOM 249 C LYS 30 3.907 -16.455 -13.560 1.00 0.00 ATOM 250 N LEU 31 3.000 -15.589 -13.980 1.00 0.00 ATOM 251 CA LEU 31 3.127 -14.154 -13.622 1.00 0.00 ATOM 252 CB LEU 31 2.298 -13.291 -14.546 1.00 0.00 ATOM 253 CG LEU 31 3.006 -12.810 -15.845 1.00 0.00 ATOM 254 CD1 LEU 31 3.277 -13.974 -16.787 1.00 0.00 ATOM 255 CD2 LEU 31 2.251 -11.655 -16.462 1.00 0.00 ATOM 256 O LEU 31 3.709 -13.382 -11.489 1.00 0.00 ATOM 257 C LEU 31 2.837 -13.950 -12.148 1.00 0.00 ATOM 258 N PRO 32 1.715 -14.349 -11.577 1.00 0.00 ATOM 259 CA PRO 32 1.520 -14.183 -10.136 1.00 0.00 ATOM 260 CB PRO 32 0.130 -14.690 -9.792 1.00 0.00 ATOM 261 CG PRO 32 -0.560 -14.968 -11.132 1.00 0.00 ATOM 262 CD PRO 32 0.513 -14.912 -12.225 1.00 0.00 ATOM 263 O PRO 32 3.033 -14.212 -8.314 1.00 0.00 ATOM 264 C PRO 32 2.625 -14.797 -9.302 1.00 0.00 ATOM 265 N ARG 33 3.120 -15.992 -9.637 1.00 0.00 ATOM 266 CA ARG 33 4.211 -16.604 -8.871 1.00 0.00 ATOM 267 CB ARG 33 4.540 -17.991 -9.425 1.00 0.00 ATOM 268 CG ARG 33 3.470 -19.038 -9.153 1.00 0.00 ATOM 269 CD ARG 33 3.850 -20.383 -9.746 1.00 0.00 ATOM 270 NE ARG 33 2.825 -21.395 -9.509 1.00 0.00 ATOM 271 CZ ARG 33 2.866 -22.631 -10.002 1.00 0.00 ATOM 272 NH1 ARG 33 1.887 -23.484 -9.732 1.00 0.00 ATOM 273 NH2 ARG 33 3.885 -23.010 -10.760 1.00 0.00 ATOM 274 O ARG 33 6.250 -15.649 -8.007 1.00 0.00 ATOM 275 C ARG 33 5.472 -15.737 -8.958 1.00 0.00 ATOM 276 N LEU 34 5.685 -15.118 -10.109 1.00 0.00 ATOM 277 CA LEU 34 6.836 -14.244 -10.273 1.00 0.00 ATOM 278 CB LEU 34 7.012 -13.861 -11.745 1.00 0.00 ATOM 279 CG LEU 34 7.476 -14.978 -12.685 1.00 0.00 ATOM 280 CD1 LEU 34 7.485 -14.497 -14.129 1.00 0.00 ATOM 281 CD2 LEU 34 8.884 -15.429 -12.326 1.00 0.00 ATOM 282 O LEU 34 7.401 -12.535 -8.703 1.00 0.00 ATOM 283 C LEU 34 6.535 -13.019 -9.421 1.00 0.00 ATOM 284 N PHE 35 5.312 -12.504 -9.504 1.00 0.00 ATOM 285 CA PHE 35 4.914 -11.345 -8.707 1.00 0.00 ATOM 286 CB PHE 35 3.246 -11.372 -8.650 1.00 0.00 ATOM 287 CG PHE 35 2.593 -10.006 -8.387 1.00 0.00 ATOM 288 CD1 PHE 35 2.468 -9.094 -9.414 1.00 0.00 ATOM 289 CD2 PHE 35 2.135 -9.686 -7.117 1.00 0.00 ATOM 290 CE1 PHE 35 1.871 -7.848 -9.199 1.00 0.00 ATOM 291 CE2 PHE 35 1.555 -8.453 -6.881 1.00 0.00 ATOM 292 CZ PHE 35 1.449 -7.558 -7.918 1.00 0.00 ATOM 293 O PHE 35 5.495 -10.898 -6.417 1.00 0.00 ATOM 294 C PHE 35 4.989 -11.694 -7.223 1.00 0.00 ATOM 295 N PHE 36 4.481 -12.868 -6.822 1.00 0.00 ATOM 296 CA PHE 36 4.512 -13.264 -5.416 1.00 0.00 ATOM 297 CB PHE 36 3.545 -14.426 -5.183 1.00 0.00 ATOM 298 CG PHE 36 2.106 -14.081 -5.513 1.00 0.00 ATOM 299 CD1 PHE 36 1.572 -14.306 -6.791 1.00 0.00 ATOM 300 CD2 PHE 36 1.288 -13.519 -4.531 1.00 0.00 ATOM 301 CE1 PHE 36 0.218 -13.973 -7.068 1.00 0.00 ATOM 302 CE2 PHE 36 -0.042 -13.185 -4.799 1.00 0.00 ATOM 303 CZ PHE 36 -0.584 -13.414 -6.079 1.00 0.00 ATOM 304 O PHE 36 6.322 -13.245 -3.848 1.00 0.00 ATOM 305 C PHE 36 5.916 -13.616 -4.956 1.00 0.00 ATOM 306 N GLU 37 6.646 -14.346 -5.803 1.00 0.00 ATOM 307 CA GLU 37 8.023 -14.701 -5.500 1.00 0.00 ATOM 308 CB GLU 37 8.702 -15.342 -6.714 1.00 0.00 ATOM 309 CG GLU 37 10.111 -15.790 -6.391 1.00 0.00 ATOM 310 CD GLU 37 10.909 -16.242 -7.602 1.00 0.00 ATOM 311 OE1 GLU 37 10.379 -16.976 -8.459 1.00 0.00 ATOM 312 OE2 GLU 37 12.093 -15.873 -7.667 1.00 0.00 ATOM 313 O GLU 37 9.541 -13.691 -3.917 1.00 0.00 ATOM 314 C GLU 37 8.906 -13.556 -4.969 1.00 0.00 ATOM 315 N HIS 38 8.961 -12.431 -5.667 1.00 0.00 ATOM 316 CA HIS 38 9.794 -11.310 -5.257 1.00 0.00 ATOM 317 CB HIS 38 10.981 -11.146 -6.220 1.00 0.00 ATOM 318 CG HIS 38 12.137 -12.034 -5.872 1.00 0.00 ATOM 319 CD2 HIS 38 12.584 -13.170 -6.468 1.00 0.00 ATOM 320 ND1 HIS 38 12.905 -11.888 -4.731 1.00 0.00 ATOM 321 CE1 HIS 38 13.751 -12.914 -4.658 1.00 0.00 ATOM 322 NE2 HIS 38 13.593 -13.714 -5.690 1.00 0.00 ATOM 323 O HIS 38 9.679 -8.917 -5.051 1.00 0.00 ATOM 324 C HIS 38 9.056 -9.983 -5.043 1.00 0.00 ATOM 325 N PHE 39 7.738 -10.032 -4.857 1.00 0.00 ATOM 326 CA PHE 39 6.982 -8.798 -4.601 1.00 0.00 ATOM 327 CB PHE 39 5.848 -8.463 -4.995 1.00 0.00 ATOM 328 CG PHE 39 6.129 -7.614 -6.234 1.00 0.00 ATOM 329 CD1 PHE 39 7.294 -6.912 -6.446 1.00 0.00 ATOM 330 CD2 PHE 39 5.156 -7.521 -7.227 1.00 0.00 ATOM 331 CE1 PHE 39 7.459 -6.134 -7.570 1.00 0.00 ATOM 332 CE2 PHE 39 5.318 -6.739 -8.351 1.00 0.00 ATOM 333 CZ PHE 39 6.471 -6.023 -8.531 1.00 0.00 ATOM 334 O PHE 39 7.199 -9.237 -2.237 1.00 0.00 ATOM 335 C PHE 39 7.254 -8.393 -3.156 1.00 0.00 ATOM 336 N GLN 40 7.583 -7.131 -2.979 1.00 0.00 ATOM 337 CA GLN 40 7.892 -6.589 -1.631 1.00 0.00 ATOM 338 CB GLN 40 7.985 -4.914 -1.998 1.00 0.00 ATOM 339 CG GLN 40 8.324 -4.507 -3.459 1.00 0.00 ATOM 340 CD GLN 40 9.805 -4.641 -3.746 1.00 0.00 ATOM 341 OE1 GLN 40 10.646 -4.293 -2.902 1.00 0.00 ATOM 342 NE2 GLN 40 10.159 -5.075 -4.952 1.00 0.00 ATOM 343 O GLN 40 6.933 -6.696 0.561 1.00 0.00 ATOM 344 C GLN 40 6.724 -6.595 -0.659 1.00 0.00 ATOM 345 N ASP 41 5.340 -6.878 -0.445 1.00 0.00 ATOM 346 CA ASP 41 3.900 -7.079 -0.700 1.00 0.00 ATOM 347 CB ASP 41 3.887 -6.728 -2.302 1.00 0.00 ATOM 348 CG ASP 41 3.922 -7.994 -3.129 1.00 0.00 ATOM 349 OD1 ASP 41 4.210 -9.100 -2.632 1.00 0.00 ATOM 350 OD2 ASP 41 3.539 -7.823 -4.301 1.00 0.00 ATOM 351 O ASP 41 3.341 -9.033 0.488 1.00 0.00 ATOM 352 C ASP 41 3.205 -7.833 0.370 1.00 0.00 ATOM 353 N THR 42 2.424 -7.098 1.138 1.00 0.00 ATOM 354 CA THR 42 1.730 -7.657 2.273 1.00 0.00 ATOM 355 CB THR 42 1.791 -6.712 3.488 1.00 0.00 ATOM 356 CG2 THR 42 3.234 -6.459 3.896 1.00 0.00 ATOM 357 OG1 THR 42 1.175 -5.465 3.160 1.00 0.00 ATOM 358 O THR 42 -0.362 -7.278 1.269 1.00 0.00 ATOM 359 C THR 42 0.272 -7.932 2.050 1.00 0.00 ATOM 360 N SER 43 -0.244 -8.947 2.727 1.00 0.00 ATOM 361 CA SER 43 -1.667 -9.174 2.714 1.00 0.00 ATOM 362 CB SER 43 -2.039 -10.403 1.908 1.00 0.00 ATOM 363 OG SER 43 -3.239 -11.010 2.359 1.00 0.00 ATOM 364 O SER 43 -1.265 -9.864 4.987 1.00 0.00 ATOM 365 C SER 43 -2.029 -9.275 4.190 1.00 0.00 ATOM 366 N PHE 44 -3.159 -8.663 4.570 1.00 0.00 ATOM 367 CA PHE 44 -3.647 -8.813 5.911 1.00 0.00 ATOM 368 CB PHE 44 -4.241 -7.495 6.413 1.00 0.00 ATOM 369 CG PHE 44 -4.781 -7.568 7.814 1.00 0.00 ATOM 370 CD1 PHE 44 -3.929 -7.535 8.904 1.00 0.00 ATOM 371 CD2 PHE 44 -6.142 -7.672 8.041 1.00 0.00 ATOM 372 CE1 PHE 44 -4.424 -7.603 10.193 1.00 0.00 ATOM 373 CE2 PHE 44 -6.640 -7.740 9.328 1.00 0.00 ATOM 374 CZ PHE 44 -5.788 -7.706 10.400 1.00 0.00 ATOM 375 O PHE 44 -5.529 -9.804 4.783 1.00 0.00 ATOM 376 C PHE 44 -4.689 -9.913 5.702 1.00 0.00 ATOM 377 N ILE 45 -4.613 -10.983 6.512 1.00 0.00 ATOM 378 CA ILE 45 -5.521 -12.108 6.384 1.00 0.00 ATOM 379 CB ILE 45 -4.758 -13.431 6.188 1.00 0.00 ATOM 380 CG1 ILE 45 -3.926 -13.380 4.906 1.00 0.00 ATOM 381 CG2 ILE 45 -5.729 -14.595 6.085 1.00 0.00 ATOM 382 CD1 ILE 45 -2.958 -14.533 4.758 1.00 0.00 ATOM 383 O ILE 45 -6.007 -12.292 8.715 1.00 0.00 ATOM 384 C ILE 45 -6.435 -12.361 7.554 1.00 0.00 ATOM 385 N THR 46 -7.689 -12.669 7.248 1.00 0.00 ATOM 386 CA THR 46 -8.633 -13.030 8.302 1.00 0.00 ATOM 387 CB THR 46 -10.090 -12.933 7.810 1.00 0.00 ATOM 388 CG2 THR 46 -11.055 -13.305 8.928 1.00 0.00 ATOM 389 OG1 THR 46 -10.369 -11.592 7.388 1.00 0.00 ATOM 390 O THR 46 -8.425 -15.402 7.867 1.00 0.00 ATOM 391 C THR 46 -8.273 -14.484 8.673 1.00 0.00 ATOM 392 N SER 47 -7.771 -14.669 9.886 1.00 0.00 ATOM 393 CA SER 47 -7.368 -15.967 10.361 1.00 0.00 ATOM 394 CB SER 47 -6.673 -15.883 11.742 1.00 0.00 ATOM 395 OG SER 47 -7.537 -15.340 12.714 1.00 0.00 ATOM 396 O SER 47 -8.323 -18.176 10.179 1.00 0.00 ATOM 397 C SER 47 -8.528 -16.981 10.350 1.00 0.00 ATOM 398 N GLU 48 -9.736 -16.481 10.529 1.00 0.00 ATOM 399 CA GLU 48 -10.951 -17.294 10.584 1.00 0.00 ATOM 400 CB GLU 48 -12.193 -16.404 10.617 1.00 0.00 ATOM 401 CG GLU 48 -12.374 -15.637 11.919 1.00 0.00 ATOM 402 CD GLU 48 -13.586 -14.727 11.899 1.00 0.00 ATOM 403 OE1 GLU 48 -14.256 -14.655 10.844 1.00 0.00 ATOM 404 OE2 GLU 48 -13.865 -14.085 12.930 1.00 0.00 ATOM 405 O GLU 48 -11.663 -19.362 9.617 1.00 0.00 ATOM 406 C GLU 48 -11.185 -18.257 9.432 1.00 0.00 ATOM 407 N HIS 49 -10.873 -17.797 8.229 1.00 0.00 ATOM 408 CA HIS 49 -11.105 -18.562 7.025 1.00 0.00 ATOM 409 CB HIS 49 -12.393 -18.104 6.341 1.00 0.00 ATOM 410 CG HIS 49 -13.612 -18.233 7.196 1.00 0.00 ATOM 411 CD2 HIS 49 -14.520 -19.314 7.557 1.00 0.00 ATOM 412 ND1 HIS 49 -14.152 -17.170 7.890 1.00 0.00 ATOM 413 CE1 HIS 49 -15.237 -17.592 8.567 1.00 0.00 ATOM 414 NE2 HIS 49 -15.462 -18.878 8.369 1.00 0.00 ATOM 415 O HIS 49 -10.064 -18.652 4.895 1.00 0.00 ATOM 416 C HIS 49 -9.942 -18.364 6.075 1.00 0.00 ATOM 417 N ASN 50 -8.822 -17.885 6.598 1.00 0.00 ATOM 418 CA ASN 50 -7.671 -17.593 5.756 1.00 0.00 ATOM 419 CB ASN 50 -6.985 -18.890 5.311 1.00 0.00 ATOM 420 CG ASN 50 -6.375 -19.650 6.472 1.00 0.00 ATOM 421 ND2 ASN 50 -6.909 -20.835 6.749 1.00 0.00 ATOM 422 OD1 ASN 50 -5.434 -19.178 7.108 1.00 0.00 ATOM 423 O ASN 50 -7.659 -17.184 3.360 1.00 0.00 ATOM 424 C ASN 50 -8.059 -16.809 4.470 1.00 0.00 ATOM 425 N SER 51 -8.833 -15.726 4.627 1.00 0.00 ATOM 426 CA SER 51 -9.245 -14.913 3.490 1.00 0.00 ATOM 427 CB SER 51 -10.754 -14.671 3.522 1.00 0.00 ATOM 428 OG SER 51 -11.469 -15.883 3.364 1.00 0.00 ATOM 429 O SER 51 -8.381 -13.014 4.624 1.00 0.00 ATOM 430 C SER 51 -8.526 -13.593 3.553 1.00 0.00 ATOM 431 N MET 52 -8.050 -13.147 2.398 1.00 0.00 ATOM 432 CA MET 52 -7.296 -11.903 2.273 1.00 0.00 ATOM 433 CB MET 52 -6.677 -11.788 0.879 1.00 0.00 ATOM 434 CG MET 52 -5.787 -10.569 0.692 1.00 0.00 ATOM 435 SD MET 52 -5.068 -10.480 -0.958 1.00 0.00 ATOM 436 CE MET 52 -3.919 -11.854 -0.902 1.00 0.00 ATOM 437 O MET 52 -9.194 -10.570 1.792 1.00 0.00 ATOM 438 C MET 52 -8.225 -10.734 2.497 1.00 0.00 ATOM 439 N THR 53 -7.939 -9.953 3.534 1.00 0.00 ATOM 440 CA THR 53 -8.797 -8.824 3.854 1.00 0.00 ATOM 441 CB THR 53 -8.594 -8.668 5.575 1.00 0.00 ATOM 442 CG2 THR 53 -9.702 -8.074 6.437 1.00 0.00 ATOM 443 OG1 THR 53 -8.150 -9.889 6.181 1.00 0.00 ATOM 444 O THR 53 -9.016 -6.579 3.109 1.00 0.00 ATOM 445 C THR 53 -8.257 -7.517 3.259 1.00 0.00 ATOM 446 N GLY 54 -6.972 -7.499 2.878 1.00 0.00 ATOM 447 CA GLY 54 -6.329 -6.301 2.356 1.00 0.00 ATOM 448 O GLY 54 -4.275 -7.492 2.338 1.00 0.00 ATOM 449 C GLY 54 -4.906 -6.557 1.900 1.00 0.00 ATOM 450 N PHE 55 -4.412 -5.729 0.989 1.00 0.00 ATOM 451 CA PHE 55 -3.053 -5.862 0.503 1.00 0.00 ATOM 452 CB PHE 55 -3.113 -6.485 -0.898 1.00 0.00 ATOM 453 CG PHE 55 -1.744 -6.482 -1.578 1.00 0.00 ATOM 454 CD1 PHE 55 -0.747 -7.364 -1.167 1.00 0.00 ATOM 455 CD2 PHE 55 -1.480 -5.609 -2.628 1.00 0.00 ATOM 456 CE1 PHE 55 0.500 -7.363 -1.791 1.00 0.00 ATOM 457 CE2 PHE 55 -0.238 -5.592 -3.261 1.00 0.00 ATOM 458 CZ PHE 55 0.748 -6.476 -2.837 1.00 0.00 ATOM 459 O PHE 55 -3.255 -3.492 0.132 1.00 0.00 ATOM 460 C PHE 55 -2.509 -4.459 0.322 1.00 0.00 ATOM 461 N LEU 56 -1.199 -4.362 0.407 1.00 0.00 ATOM 462 CA LEU 56 -0.490 -3.112 0.255 1.00 0.00 ATOM 463 CB LEU 56 -0.131 -2.538 1.612 1.00 0.00 ATOM 464 CG LEU 56 -1.204 -1.752 2.344 1.00 0.00 ATOM 465 CD1 LEU 56 -0.695 -1.486 3.745 1.00 0.00 ATOM 466 CD2 LEU 56 -1.510 -0.448 1.605 1.00 0.00 ATOM 467 O LEU 56 1.372 -4.582 0.425 1.00 0.00 ATOM 468 C LEU 56 0.966 -3.505 0.021 1.00 0.00 ATOM 469 N ILE 57 1.748 -2.650 -0.634 1.00 0.00 ATOM 470 CA ILE 57 3.169 -2.932 -0.910 1.00 0.00 ATOM 471 CB ILE 57 3.372 -3.220 -2.415 1.00 0.00 ATOM 472 CG1 ILE 57 4.860 -3.608 -2.665 1.00 0.00 ATOM 473 CG2 ILE 57 2.899 -2.004 -3.273 1.00 0.00 ATOM 474 CD1 ILE 57 5.086 -4.084 -4.139 1.00 0.00 ATOM 475 O ILE 57 3.538 -0.575 -0.511 1.00 0.00 ATOM 476 C ILE 57 4.025 -1.713 -0.551 1.00 0.00 ATOM 477 N GLY 58 5.287 -1.942 -0.235 1.00 0.00 ATOM 478 CA GLY 58 6.171 -0.815 -0.026 1.00 0.00 ATOM 479 O GLY 58 8.017 -2.264 -0.491 1.00 0.00 ATOM 480 C GLY 58 7.446 -1.215 -0.734 1.00 0.00 ATOM 481 N PHE 59 7.825 -0.389 -1.689 1.00 0.00 ATOM 482 CA PHE 59 8.977 -0.595 -2.495 1.00 0.00 ATOM 483 CB PHE 59 8.698 -0.191 -3.944 1.00 0.00 ATOM 484 CG PHE 59 9.872 -0.375 -4.863 1.00 0.00 ATOM 485 CD1 PHE 59 10.210 -1.628 -5.336 1.00 0.00 ATOM 486 CD2 PHE 59 10.639 0.710 -5.254 1.00 0.00 ATOM 487 CE1 PHE 59 11.290 -1.799 -6.181 1.00 0.00 ATOM 488 CE2 PHE 59 11.717 0.542 -6.097 1.00 0.00 ATOM 489 CZ PHE 59 12.047 -0.705 -6.562 1.00 0.00 ATOM 490 O PHE 59 9.966 1.423 -1.678 1.00 0.00 ATOM 491 C PHE 59 10.128 0.236 -1.974 1.00 0.00 ATOM 492 N GLN 60 11.294 -0.383 -1.867 1.00 0.00 ATOM 493 CA GLN 60 12.472 0.300 -1.353 1.00 0.00 ATOM 494 CB GLN 60 12.934 -0.346 -0.044 1.00 0.00 ATOM 495 CG GLN 60 14.159 0.310 0.571 1.00 0.00 ATOM 496 CD GLN 60 14.550 -0.315 1.897 1.00 0.00 ATOM 497 OE1 GLN 60 13.911 -1.258 2.363 1.00 0.00 ATOM 498 NE2 GLN 60 15.603 0.214 2.510 1.00 0.00 ATOM 499 O GLN 60 14.018 -0.870 -2.753 1.00 0.00 ATOM 500 C GLN 60 13.609 0.226 -2.355 1.00 0.00 ATOM 501 N SER 61 14.110 1.384 -2.767 1.00 0.00 ATOM 502 CA SER 61 15.202 1.489 -3.721 1.00 0.00 ATOM 503 CB SER 61 14.805 2.520 -4.784 1.00 0.00 ATOM 504 OG SER 61 15.813 2.711 -5.758 1.00 0.00 ATOM 505 O SER 61 16.451 2.867 -2.219 1.00 0.00 ATOM 506 C SER 61 16.484 1.905 -3.008 1.00 0.00 ATOM 507 N GLN 62 17.597 1.198 -3.245 1.00 0.00 ATOM 508 CA GLN 62 18.861 1.489 -2.571 1.00 0.00 ATOM 509 CB GLN 62 19.497 -0.151 -2.965 1.00 0.00 ATOM 510 CG GLN 62 18.441 -1.256 -3.162 1.00 0.00 ATOM 511 CD GLN 62 19.102 -2.582 -3.521 1.00 0.00 ATOM 512 OE1 GLN 62 19.606 -2.752 -4.630 1.00 0.00 ATOM 513 NE2 GLN 62 19.211 -3.475 -2.531 1.00 0.00 ATOM 514 O GLN 62 20.399 3.333 -2.468 1.00 0.00 ATOM 515 C GLN 62 19.505 2.773 -3.101 1.00 0.00 ATOM 516 N SER 63 19.069 3.250 -4.261 1.00 0.00 ATOM 517 CA SER 63 19.615 4.452 -4.877 1.00 0.00 ATOM 518 CB SER 63 18.831 4.724 -6.172 1.00 0.00 ATOM 519 OG SER 63 19.252 5.942 -6.773 1.00 0.00 ATOM 520 O SER 63 20.738 6.339 -3.750 1.00 0.00 ATOM 521 C SER 63 19.672 5.745 -4.024 1.00 0.00 ATOM 522 N ASP 64 18.510 6.112 -3.516 1.00 0.00 ATOM 523 CA ASP 64 18.381 7.349 -2.754 1.00 0.00 ATOM 524 CB ASP 64 17.477 8.370 -3.556 1.00 0.00 ATOM 525 CG ASP 64 15.995 7.992 -3.555 1.00 0.00 ATOM 526 OD1 ASP 64 15.507 7.259 -2.677 1.00 0.00 ATOM 527 OD2 ASP 64 15.291 8.487 -4.447 1.00 0.00 ATOM 528 O ASP 64 17.690 6.097 -0.811 1.00 0.00 ATOM 529 C ASP 64 18.252 7.115 -1.235 1.00 0.00 ATOM 530 N PRO 65 18.797 7.996 -0.422 1.00 0.00 ATOM 531 CA PRO 65 18.701 7.825 1.060 1.00 0.00 ATOM 532 CB PRO 65 19.668 8.834 1.546 1.00 0.00 ATOM 533 CG PRO 65 20.312 9.530 0.357 1.00 0.00 ATOM 534 CD PRO 65 19.404 9.246 -0.820 1.00 0.00 ATOM 535 O PRO 65 16.537 8.789 0.992 1.00 0.00 ATOM 536 C PRO 65 17.320 8.030 1.569 1.00 0.00 ATOM 537 N GLU 66 17.846 5.560 1.784 1.00 0.00 ATOM 538 CA GLU 66 16.774 4.695 1.352 1.00 0.00 ATOM 539 CB GLU 66 16.510 3.569 1.924 1.00 0.00 ATOM 540 CG GLU 66 17.362 3.300 3.170 1.00 0.00 ATOM 541 CD GLU 66 18.536 2.338 2.975 1.00 0.00 ATOM 542 OE1 GLU 66 19.325 2.628 1.935 1.00 0.00 ATOM 543 OE2 GLU 66 18.729 1.386 3.743 1.00 0.00 ATOM 544 O GLU 66 15.170 6.197 2.375 1.00 0.00 ATOM 545 C GLU 66 15.454 5.473 1.411 1.00 0.00 ATOM 546 N THR 67 14.646 5.327 0.368 1.00 0.00 ATOM 547 CA THR 67 13.353 5.960 0.384 1.00 0.00 ATOM 548 CB THR 67 13.250 7.061 -0.688 1.00 0.00 ATOM 549 CG2 THR 67 11.880 7.719 -0.646 1.00 0.00 ATOM 550 OG1 THR 67 14.251 8.060 -0.450 1.00 0.00 ATOM 551 O THR 67 12.441 4.114 -0.866 1.00 0.00 ATOM 552 C THR 67 12.321 4.872 0.108 1.00 0.00 ATOM 553 N ALA 68 11.322 4.799 0.956 1.00 0.00 ATOM 554 CA ALA 68 10.261 3.825 0.754 1.00 0.00 ATOM 555 CB ALA 68 9.615 3.430 2.099 1.00 0.00 ATOM 556 O ALA 68 8.783 5.609 -0.016 1.00 0.00 ATOM 557 C ALA 68 9.084 4.409 -0.070 1.00 0.00 ATOM 558 N TYR 69 8.425 3.565 -0.849 1.00 0.00 ATOM 559 CA TYR 69 7.327 4.017 -1.668 1.00 0.00 ATOM 560 CB TYR 69 7.653 3.886 -3.160 1.00 0.00 ATOM 561 CG TYR 69 8.788 4.772 -3.645 1.00 0.00 ATOM 562 CD1 TYR 69 10.111 4.333 -3.604 1.00 0.00 ATOM 563 CD2 TYR 69 8.534 6.042 -4.169 1.00 0.00 ATOM 564 CE1 TYR 69 11.153 5.134 -4.083 1.00 0.00 ATOM 565 CE2 TYR 69 9.572 6.852 -4.647 1.00 0.00 ATOM 566 CZ TYR 69 10.876 6.388 -4.599 1.00 0.00 ATOM 567 OH TYR 69 11.901 7.176 -5.069 1.00 0.00 ATOM 568 O TYR 69 6.130 1.932 -1.824 1.00 0.00 ATOM 569 C TYR 69 6.136 3.088 -1.417 1.00 0.00 ATOM 570 N ILE 70 5.121 3.588 -0.744 1.00 0.00 ATOM 571 CA ILE 70 3.944 2.757 -0.515 1.00 0.00 ATOM 572 CB ILE 70 3.249 3.105 0.843 1.00 0.00 ATOM 573 CG1 ILE 70 2.268 1.996 1.249 1.00 0.00 ATOM 574 CG2 ILE 70 2.514 4.453 0.725 1.00 0.00 ATOM 575 CD1 ILE 70 1.732 2.152 2.657 1.00 0.00 ATOM 576 O ILE 70 2.712 3.793 -2.253 1.00 0.00 ATOM 577 C ILE 70 3.066 2.750 -1.765 1.00 0.00 ATOM 578 N HIS 71 2.753 1.569 -2.284 1.00 0.00 ATOM 579 CA HIS 71 1.972 1.418 -3.510 1.00 0.00 ATOM 580 CB HIS 71 2.853 0.904 -4.650 1.00 0.00 ATOM 581 CG HIS 71 3.963 1.837 -5.022 1.00 0.00 ATOM 582 CD2 HIS 71 5.156 1.751 -5.853 1.00 0.00 ATOM 583 ND1 HIS 71 4.033 3.132 -4.558 1.00 0.00 ATOM 584 CE1 HIS 71 5.135 3.717 -5.062 1.00 0.00 ATOM 585 NE2 HIS 71 5.813 2.894 -5.837 1.00 0.00 ATOM 586 O HIS 71 0.833 -0.398 -2.432 1.00 0.00 ATOM 587 C HIS 71 0.817 0.432 -3.349 1.00 0.00 ATOM 588 N PHE 72 -0.153 0.513 -4.271 1.00 0.00 ATOM 589 CA PHE 72 -1.285 -0.409 -4.347 1.00 0.00 ATOM 590 CB PHE 72 -0.848 -1.749 -4.943 1.00 0.00 ATOM 591 CG PHE 72 -0.336 -1.648 -6.351 1.00 0.00 ATOM 592 CD1 PHE 72 1.023 -1.589 -6.604 1.00 0.00 ATOM 593 CD2 PHE 72 -1.214 -1.613 -7.421 1.00 0.00 ATOM 594 CE1 PHE 72 1.495 -1.494 -7.901 1.00 0.00 ATOM 595 CE2 PHE 72 -0.742 -1.519 -8.716 1.00 0.00 ATOM 596 CZ PHE 72 0.605 -1.460 -8.959 1.00 0.00 ATOM 597 O PHE 72 -2.133 -2.007 -2.743 1.00 0.00 ATOM 598 C PHE 72 -2.031 -0.821 -3.086 1.00 0.00 ATOM 599 N SER 73 -2.567 0.175 -2.399 1.00 0.00 ATOM 600 CA SER 73 -3.285 -0.088 -1.184 1.00 0.00 ATOM 601 CB SER 73 -3.503 1.152 -0.507 1.00 0.00 ATOM 602 OG SER 73 -2.375 1.221 0.347 1.00 0.00 ATOM 603 O SER 73 -5.375 0.257 -2.097 1.00 0.00 ATOM 604 C SER 73 -4.688 -0.475 -1.459 1.00 0.00 ATOM 605 N GLY 74 -5.141 -1.616 -0.965 1.00 0.00 ATOM 606 CA GLY 74 -6.524 -1.986 -1.226 1.00 0.00 ATOM 607 O GLY 74 -6.492 -3.820 0.355 1.00 0.00 ATOM 608 C GLY 74 -7.078 -2.801 -0.070 1.00 0.00 ATOM 609 N VAL 75 -8.188 -2.320 0.462 1.00 0.00 ATOM 610 CA VAL 75 -8.879 -3.011 1.511 1.00 0.00 ATOM 611 CB VAL 75 -9.428 -2.033 2.564 1.00 0.00 ATOM 612 CG1 VAL 75 -10.209 -2.784 3.633 1.00 0.00 ATOM 613 CG2 VAL 75 -8.291 -1.282 3.239 1.00 0.00 ATOM 614 O VAL 75 -10.746 -3.188 -0.011 1.00 0.00 ATOM 615 C VAL 75 -10.022 -3.753 0.801 1.00 0.00 ATOM 616 N HIS 76 -10.162 -5.040 1.081 1.00 0.00 ATOM 617 CA HIS 76 -11.188 -5.832 0.419 1.00 0.00 ATOM 618 CB HIS 76 -11.095 -7.296 0.855 1.00 0.00 ATOM 619 CG HIS 76 -12.023 -8.208 0.113 1.00 0.00 ATOM 620 CD2 HIS 76 -13.333 -8.787 0.369 1.00 0.00 ATOM 621 ND1 HIS 76 -11.725 -8.718 -1.132 1.00 0.00 ATOM 622 CE1 HIS 76 -12.744 -9.500 -1.540 1.00 0.00 ATOM 623 NE2 HIS 76 -13.713 -9.545 -0.646 1.00 0.00 ATOM 624 O HIS 76 -12.759 -4.777 1.879 1.00 0.00 ATOM 625 C HIS 76 -12.558 -5.302 0.781 1.00 0.00 ATOM 626 N PRO 77 -13.491 -5.419 -0.147 1.00 0.00 ATOM 627 CA PRO 77 -14.837 -4.885 0.051 1.00 0.00 ATOM 628 CB PRO 77 -15.592 -5.301 -1.212 1.00 0.00 ATOM 629 CG PRO 77 -14.535 -5.416 -2.257 1.00 0.00 ATOM 630 CD PRO 77 -13.329 -5.991 -1.566 1.00 0.00 ATOM 631 O PRO 77 -16.334 -4.589 1.901 1.00 0.00 ATOM 632 C PRO 77 -15.618 -5.374 1.267 1.00 0.00 ATOM 633 N ASP 78 -15.499 -6.649 1.605 1.00 0.00 ATOM 634 CA ASP 78 -16.242 -7.145 2.772 1.00 0.00 ATOM 635 CB ASP 78 -16.404 -8.665 2.697 1.00 0.00 ATOM 636 CG ASP 78 -17.349 -9.097 1.593 1.00 0.00 ATOM 637 OD1 ASP 78 -18.030 -10.128 1.764 1.00 0.00 ATOM 638 OD2 ASP 78 -17.404 -8.404 0.554 1.00 0.00 ATOM 639 O ASP 78 -15.989 -7.168 5.169 1.00 0.00 ATOM 640 C ASP 78 -15.519 -6.813 4.078 1.00 0.00 ATOM 641 N PHE 79 -14.381 -6.136 3.970 1.00 0.00 ATOM 642 CA PHE 79 -13.601 -5.852 5.146 1.00 0.00 ATOM 643 CB PHE 79 -12.195 -6.441 5.013 1.00 0.00 ATOM 644 CG PHE 79 -12.178 -7.936 4.862 1.00 0.00 ATOM 645 CD1 PHE 79 -12.065 -8.519 3.612 1.00 0.00 ATOM 646 CD2 PHE 79 -12.271 -8.757 5.972 1.00 0.00 ATOM 647 CE1 PHE 79 -12.046 -9.893 3.475 1.00 0.00 ATOM 648 CE2 PHE 79 -12.252 -10.133 5.834 1.00 0.00 ATOM 649 CZ PHE 79 -12.141 -10.702 4.590 1.00 0.00 ATOM 650 O PHE 79 -12.714 -3.993 6.290 1.00 0.00 ATOM 651 C PHE 79 -13.444 -4.398 5.406 1.00 0.00 ATOM 652 N ARG 80 -14.139 -3.592 4.629 1.00 0.00 ATOM 653 CA ARG 80 -14.025 -2.158 4.797 1.00 0.00 ATOM 654 CB ARG 80 -15.042 -1.459 3.932 1.00 0.00 ATOM 655 CG ARG 80 -15.061 0.031 4.156 1.00 0.00 ATOM 656 CD ARG 80 -15.948 0.699 3.132 1.00 0.00 ATOM 657 NE ARG 80 -15.447 0.499 1.774 1.00 0.00 ATOM 658 CZ ARG 80 -14.566 1.299 1.183 1.00 0.00 ATOM 659 NH1 ARG 80 -14.088 2.356 1.824 1.00 0.00 ATOM 660 NH2 ARG 80 -14.161 1.037 -0.050 1.00 0.00 ATOM 661 O ARG 80 -15.364 -2.458 6.730 1.00 0.00 ATOM 662 C ARG 80 -14.573 -1.743 6.116 1.00 0.00 ATOM 663 N LYS 81 -14.133 -0.571 6.536 1.00 0.00 ATOM 664 CA LYS 81 -14.547 0.008 7.790 1.00 0.00 ATOM 665 CB LYS 81 -16.073 0.101 7.861 1.00 0.00 ATOM 666 CG LYS 81 -16.691 0.965 6.777 1.00 0.00 ATOM 667 CD LYS 81 -18.205 1.023 6.914 1.00 0.00 ATOM 668 CE LYS 81 -18.826 1.887 5.829 1.00 0.00 ATOM 669 NZ LYS 81 -20.311 1.943 5.944 1.00 0.00 ATOM 670 O LYS 81 -14.708 -0.404 10.081 1.00 0.00 ATOM 671 C LYS 81 -14.146 -0.713 9.060 1.00 0.00 ATOM 672 N MET 82 -13.219 -1.663 9.034 1.00 0.00 ATOM 673 CA MET 82 -12.830 -2.345 10.248 1.00 0.00 ATOM 674 CB MET 82 -12.667 -3.877 9.909 1.00 0.00 ATOM 675 CG MET 82 -13.956 -4.559 9.458 1.00 0.00 ATOM 676 SD MET 82 -13.748 -6.070 8.500 1.00 0.00 ATOM 677 CE MET 82 -13.567 -7.182 9.747 1.00 0.00 ATOM 678 O MET 82 -10.902 -0.964 10.544 1.00 0.00 ATOM 679 C MET 82 -11.734 -1.702 11.067 1.00 0.00 ATOM 680 N GLN 83 -10.448 -0.294 10.693 1.00 0.00 ATOM 681 CA GLN 83 -9.039 -0.041 10.913 1.00 0.00 ATOM 682 CB GLN 83 -9.045 0.120 12.686 1.00 0.00 ATOM 683 CG GLN 83 -8.544 -1.225 13.202 1.00 0.00 ATOM 684 CD GLN 83 -9.724 -2.192 13.427 1.00 0.00 ATOM 685 OE1 GLN 83 -10.697 -2.127 12.661 1.00 0.00 ATOM 686 NE2 GLN 83 -9.665 -3.058 14.442 1.00 0.00 ATOM 687 O GLN 83 -6.923 -0.862 10.302 1.00 0.00 ATOM 688 C GLN 83 -8.115 -0.921 10.111 1.00 0.00 ATOM 689 N ILE 84 -8.654 -1.751 9.221 1.00 0.00 ATOM 690 CA ILE 84 -7.813 -2.646 8.451 1.00 0.00 ATOM 691 CB ILE 84 -8.663 -3.517 7.508 1.00 0.00 ATOM 692 CG1 ILE 84 -9.561 -4.467 8.275 1.00 0.00 ATOM 693 CG2 ILE 84 -7.778 -4.259 6.518 1.00 0.00 ATOM 694 CD1 ILE 84 -10.629 -5.183 7.506 1.00 0.00 ATOM 695 O ILE 84 -5.614 -2.200 7.572 1.00 0.00 ATOM 696 C ILE 84 -6.774 -1.859 7.679 1.00 0.00 ATOM 697 N GLY 85 -7.234 -0.755 7.083 1.00 0.00 ATOM 698 CA GLY 85 -6.281 0.053 6.262 1.00 0.00 ATOM 699 O GLY 85 -4.027 0.676 6.853 1.00 0.00 ATOM 700 C GLY 85 -5.236 0.692 7.135 1.00 0.00 ATOM 701 N LYS 86 -5.606 1.291 8.269 1.00 0.00 ATOM 702 CA LYS 86 -4.603 1.904 9.145 1.00 0.00 ATOM 703 CB LYS 86 -5.224 2.353 10.454 1.00 0.00 ATOM 704 CG LYS 86 -5.184 3.849 10.713 1.00 0.00 ATOM 705 CD LYS 86 -4.690 4.170 12.139 1.00 0.00 ATOM 706 CE LYS 86 -5.347 3.301 13.228 1.00 0.00 ATOM 707 NZ LYS 86 -6.347 4.018 14.053 1.00 0.00 ATOM 708 O LYS 86 -2.347 1.232 9.743 1.00 0.00 ATOM 709 C LYS 86 -3.558 0.945 9.633 1.00 0.00 ATOM 710 N GLN 87 -4.013 -0.279 9.981 1.00 0.00 ATOM 711 CA GLN 87 -3.084 -1.282 10.499 1.00 0.00 ATOM 712 CB GLN 87 -3.590 -2.694 10.041 1.00 0.00 ATOM 713 CG GLN 87 -3.106 -3.940 10.672 1.00 0.00 ATOM 714 CD GLN 87 -3.989 -5.090 10.193 1.00 0.00 ATOM 715 OE1 GLN 87 -4.269 -5.226 8.971 1.00 0.00 ATOM 716 NE2 GLN 87 -4.468 -5.879 11.120 1.00 0.00 ATOM 717 O GLN 87 -0.935 -1.898 9.660 1.00 0.00 ATOM 718 C GLN 87 -2.117 -1.722 9.399 1.00 0.00 ATOM 719 N LEU 88 -2.591 -1.913 8.177 1.00 0.00 ATOM 720 CA LEU 88 -1.689 -2.314 7.085 1.00 0.00 ATOM 721 CB LEU 88 -2.404 -2.533 5.790 1.00 0.00 ATOM 722 CG LEU 88 -3.490 -3.612 5.893 1.00 0.00 ATOM 723 CD1 LEU 88 -4.169 -3.773 4.549 1.00 0.00 ATOM 724 CD2 LEU 88 -2.915 -4.935 6.387 1.00 0.00 ATOM 725 O LEU 88 0.607 -1.584 6.761 1.00 0.00 ATOM 726 C LEU 88 -0.597 -1.262 6.834 1.00 0.00 ATOM 727 N TYR 89 -1.018 -0.012 6.726 1.00 0.00 ATOM 728 CA TYR 89 -0.089 1.080 6.510 1.00 0.00 ATOM 729 CB TYR 89 -0.718 2.433 6.489 1.00 0.00 ATOM 730 CG TYR 89 -1.587 2.685 5.277 1.00 0.00 ATOM 731 CD1 TYR 89 -1.197 2.262 4.004 1.00 0.00 ATOM 732 CD2 TYR 89 -2.810 3.346 5.407 1.00 0.00 ATOM 733 CE1 TYR 89 -2.008 2.498 2.890 1.00 0.00 ATOM 734 CE2 TYR 89 -3.619 3.585 4.310 1.00 0.00 ATOM 735 CZ TYR 89 -3.220 3.162 3.057 1.00 0.00 ATOM 736 OH TYR 89 -4.040 3.409 1.977 1.00 0.00 ATOM 737 O TYR 89 2.100 1.145 7.487 1.00 0.00 ATOM 738 C TYR 89 0.887 1.110 7.685 1.00 0.00 ATOM 739 N ASP 90 0.388 2.207 10.003 1.00 0.00 ATOM 740 CA ASP 90 1.252 1.657 11.043 1.00 0.00 ATOM 741 CB ASP 90 0.417 0.977 12.132 1.00 0.00 ATOM 742 CG ASP 90 -0.343 1.969 12.987 1.00 0.00 ATOM 743 OD1 ASP 90 -0.940 1.548 13.998 1.00 0.00 ATOM 744 OD2 ASP 90 -0.341 3.172 12.647 1.00 0.00 ATOM 745 O ASP 90 3.366 0.635 10.877 1.00 0.00 ATOM 746 C ASP 90 2.197 0.649 10.506 1.00 0.00 ATOM 747 N VAL 91 1.710 -0.223 9.629 1.00 0.00 ATOM 748 CA VAL 91 2.569 -1.223 9.001 1.00 0.00 ATOM 749 CB VAL 91 1.805 -2.251 8.144 1.00 0.00 ATOM 750 CG1 VAL 91 2.775 -3.158 7.374 1.00 0.00 ATOM 751 CG2 VAL 91 0.884 -3.120 9.072 1.00 0.00 ATOM 752 O VAL 91 4.833 -0.922 8.251 1.00 0.00 ATOM 753 C VAL 91 3.666 -0.531 8.195 1.00 0.00 ATOM 754 N PHE 92 3.287 0.507 7.458 1.00 0.00 ATOM 755 CA PHE 92 4.233 1.267 6.650 1.00 0.00 ATOM 756 CB PHE 92 3.736 2.463 5.979 1.00 0.00 ATOM 757 CG PHE 92 4.729 3.035 5.017 1.00 0.00 ATOM 758 CD1 PHE 92 5.022 2.374 3.832 1.00 0.00 ATOM 759 CD2 PHE 92 5.434 4.185 5.324 1.00 0.00 ATOM 760 CE1 PHE 92 6.008 2.842 2.974 1.00 0.00 ATOM 761 CE2 PHE 92 6.424 4.658 4.468 1.00 0.00 ATOM 762 CZ PHE 92 6.710 3.981 3.288 1.00 0.00 ATOM 763 O PHE 92 6.536 1.691 7.235 1.00 0.00 ATOM 764 C PHE 92 5.355 1.863 7.521 1.00 0.00 ATOM 765 N ILE 93 4.965 2.555 8.585 1.00 0.00 ATOM 766 CA ILE 93 5.917 3.191 9.491 1.00 0.00 ATOM 767 CB ILE 93 5.158 3.997 10.586 1.00 0.00 ATOM 768 CG1 ILE 93 4.439 5.181 9.934 1.00 0.00 ATOM 769 CG2 ILE 93 6.120 4.497 11.666 1.00 0.00 ATOM 770 CD1 ILE 93 3.621 6.027 10.902 1.00 0.00 ATOM 771 O ILE 93 8.068 2.379 10.186 1.00 0.00 ATOM 772 C ILE 93 6.856 2.174 10.138 1.00 0.00 ATOM 773 N GLU 94 6.295 1.072 10.619 1.00 0.00 ATOM 774 CA GLU 94 7.086 0.032 11.261 1.00 0.00 ATOM 775 CB GLU 94 6.157 -1.028 11.862 1.00 0.00 ATOM 776 CG GLU 94 6.656 -1.641 13.162 1.00 0.00 ATOM 777 CD GLU 94 6.795 -0.618 14.274 1.00 0.00 ATOM 778 OE1 GLU 94 7.946 -0.299 14.647 1.00 0.00 ATOM 779 OE2 GLU 94 5.757 -0.130 14.778 1.00 0.00 ATOM 780 O GLU 94 9.200 -0.928 10.628 1.00 0.00 ATOM 781 C GLU 94 8.055 -0.631 10.282 1.00 0.00 ATOM 782 N THR 95 7.599 -0.862 9.054 1.00 0.00 ATOM 783 CA THR 95 8.433 -1.507 8.051 1.00 0.00 ATOM 784 CB THR 95 7.597 -1.910 6.814 1.00 0.00 ATOM 785 CG2 THR 95 8.466 -2.631 5.782 1.00 0.00 ATOM 786 OG1 THR 95 6.545 -2.793 7.219 1.00 0.00 ATOM 787 O THR 95 10.727 -1.064 7.482 1.00 0.00 ATOM 788 C THR 95 9.589 -0.608 7.624 1.00 0.00 ATOM 789 N VAL 96 9.313 0.676 7.416 1.00 0.00 ATOM 790 CA VAL 96 10.353 1.603 7.019 1.00 0.00 ATOM 791 CB VAL 96 9.754 2.923 6.518 1.00 0.00 ATOM 792 CG1 VAL 96 10.805 3.964 6.295 1.00 0.00 ATOM 793 CG2 VAL 96 9.079 2.691 5.203 1.00 0.00 ATOM 794 O VAL 96 12.636 1.679 7.868 1.00 0.00 ATOM 795 C VAL 96 11.414 1.697 8.122 1.00 0.00 ATOM 796 N LYS 97 11.005 1.787 9.382 1.00 0.00 ATOM 797 CA LYS 97 11.978 1.841 10.482 1.00 0.00 ATOM 798 CB LYS 97 11.256 2.096 11.814 1.00 0.00 ATOM 799 CG LYS 97 10.687 3.505 11.944 1.00 0.00 ATOM 800 CD LYS 97 11.797 4.544 12.083 1.00 0.00 ATOM 801 CE LYS 97 11.252 5.949 12.102 1.00 0.00 ATOM 802 NZ LYS 97 12.300 6.994 12.080 1.00 0.00 ATOM 803 O LYS 97 14.064 0.619 10.782 1.00 0.00 ATOM 804 C LYS 97 12.830 0.571 10.559 1.00 0.00 ATOM 805 N GLN 98 12.216 -0.601 10.400 1.00 0.00 ATOM 806 CA GLN 98 12.964 -1.855 10.463 1.00 0.00 ATOM 807 CB GLN 98 12.028 -3.056 10.305 1.00 0.00 ATOM 808 CG GLN 98 11.120 -3.322 11.494 1.00 0.00 ATOM 809 CD GLN 98 10.144 -4.450 11.297 1.00 0.00 ATOM 810 OE1 GLN 98 9.734 -4.782 10.187 1.00 0.00 ATOM 811 NE2 GLN 98 9.737 -5.079 12.398 1.00 0.00 ATOM 812 O GLN 98 15.163 -2.382 9.655 1.00 0.00 ATOM 813 C GLN 98 14.029 -1.912 9.378 1.00 0.00 ATOM 814 N ARG 99 13.705 -1.484 8.155 1.00 0.00 ATOM 815 CA ARG 99 14.574 -1.590 6.999 1.00 0.00 ATOM 816 CB ARG 99 13.718 -2.348 5.882 1.00 0.00 ATOM 817 CG ARG 99 13.391 -3.762 6.343 1.00 0.00 ATOM 818 CD ARG 99 12.880 -4.646 5.215 1.00 0.00 ATOM 819 NE ARG 99 13.252 -4.195 3.887 1.00 0.00 ATOM 820 CZ ARG 99 12.449 -3.778 2.913 1.00 0.00 ATOM 821 NH1 ARG 99 11.137 -3.739 3.083 1.00 0.00 ATOM 822 NH2 ARG 99 12.963 -3.397 1.744 1.00 0.00 ATOM 823 O ARG 99 16.238 -0.382 5.779 1.00 0.00 ATOM 824 C ARG 99 15.483 -0.394 6.767 1.00 0.00 ATOM 825 N GLY 100 15.497 0.614 7.581 1.00 0.00 ATOM 826 CA GLY 100 16.344 1.783 7.478 1.00 0.00 ATOM 827 O GLY 100 16.590 3.701 6.124 1.00 0.00 ATOM 828 C GLY 100 15.831 2.854 6.513 1.00 0.00 ATOM 829 N CYS 101 14.569 2.813 6.108 1.00 0.00 ATOM 830 CA CYS 101 14.055 3.845 5.226 1.00 0.00 ATOM 831 CB CYS 101 12.645 3.452 4.693 1.00 0.00 ATOM 832 SG CYS 101 12.606 1.983 3.629 1.00 0.00 ATOM 833 O CYS 101 13.876 5.247 7.161 1.00 0.00 ATOM 834 C CYS 101 14.130 5.180 5.961 1.00 0.00 ATOM 835 N THR 102 14.515 6.223 5.245 1.00 0.00 ATOM 836 CA THR 102 14.599 7.560 5.810 1.00 0.00 ATOM 837 CB THR 102 16.060 7.694 6.560 1.00 0.00 ATOM 838 CG2 THR 102 16.248 9.077 7.230 1.00 0.00 ATOM 839 OG1 THR 102 16.132 6.710 7.621 1.00 0.00 ATOM 840 O THR 102 13.562 9.681 5.322 1.00 0.00 ATOM 841 C THR 102 13.531 8.459 5.182 1.00 0.00 ATOM 842 N ARG 103 12.581 7.854 4.491 1.00 0.00 ATOM 843 CA ARG 103 11.520 8.619 3.850 1.00 0.00 ATOM 844 CB ARG 103 11.965 9.291 2.550 1.00 0.00 ATOM 845 CG ARG 103 13.016 10.366 2.786 1.00 0.00 ATOM 846 CD ARG 103 13.063 11.420 1.699 1.00 0.00 ATOM 847 NE ARG 103 13.352 10.828 0.403 1.00 0.00 ATOM 848 CZ ARG 103 13.243 11.415 -0.770 1.00 0.00 ATOM 849 NH1 ARG 103 12.897 12.682 -0.905 1.00 0.00 ATOM 850 NH2 ARG 103 13.575 10.725 -1.875 1.00 0.00 ATOM 851 O ARG 103 10.513 6.501 3.291 1.00 0.00 ATOM 852 C ARG 103 10.364 7.720 3.443 1.00 0.00 ATOM 853 N VAL 104 9.212 8.357 3.265 1.00 0.00 ATOM 854 CA VAL 104 8.026 7.669 2.842 1.00 0.00 ATOM 855 CB VAL 104 6.984 7.542 3.949 1.00 0.00 ATOM 856 CG1 VAL 104 5.718 6.936 3.396 1.00 0.00 ATOM 857 CG2 VAL 104 7.533 6.778 5.119 1.00 0.00 ATOM 858 O VAL 104 7.294 9.725 1.831 1.00 0.00 ATOM 859 C VAL 104 7.433 8.497 1.726 1.00 0.00 ATOM 860 N LYS 105 7.119 7.834 0.638 1.00 0.00 ATOM 861 CA LYS 105 6.542 8.528 -0.519 1.00 0.00 ATOM 862 CB LYS 105 7.127 8.855 -1.594 1.00 0.00 ATOM 863 CG LYS 105 6.284 8.909 -2.851 1.00 0.00 ATOM 864 CD LYS 105 7.055 9.511 -4.017 1.00 0.00 ATOM 865 CE LYS 105 6.226 10.545 -4.760 1.00 0.00 ATOM 866 NZ LYS 105 6.069 10.229 -6.206 1.00 0.00 ATOM 867 O LYS 105 5.003 6.734 -0.805 1.00 0.00 ATOM 868 C LYS 105 5.153 7.957 -0.754 1.00 0.00 ATOM 869 N CYS 106 4.163 8.821 -0.867 1.00 0.00 ATOM 870 CA CYS 106 2.796 8.363 -1.109 1.00 0.00 ATOM 871 CB CYS 106 2.107 7.895 0.147 1.00 0.00 ATOM 872 SG CYS 106 0.417 7.276 -0.113 1.00 0.00 ATOM 873 O CYS 106 2.227 9.856 -2.859 1.00 0.00 ATOM 874 C CYS 106 2.240 8.694 -2.450 1.00 0.00 ATOM 875 N VAL 107 1.716 7.679 -3.113 1.00 0.00 ATOM 876 CA VAL 107 1.115 7.856 -4.421 1.00 0.00 ATOM 877 CB VAL 107 1.758 6.866 -5.407 1.00 0.00 ATOM 878 CG1 VAL 107 1.302 7.082 -6.852 1.00 0.00 ATOM 879 CG2 VAL 107 3.285 6.957 -5.421 1.00 0.00 ATOM 880 O VAL 107 -0.733 6.332 -4.071 1.00 0.00 ATOM 881 C VAL 107 -0.364 7.501 -4.328 1.00 0.00 ATOM 882 N THR 108 -1.854 8.783 -3.650 1.00 0.00 ATOM 883 CA THR 108 -3.287 8.612 -3.427 1.00 0.00 ATOM 884 CB THR 108 -3.894 8.539 -2.291 1.00 0.00 ATOM 885 CG2 THR 108 -5.383 8.951 -2.432 1.00 0.00 ATOM 886 OG1 THR 108 -3.783 7.139 -1.996 1.00 0.00 ATOM 887 O THR 108 -3.928 10.402 -4.810 1.00 0.00 ATOM 888 C THR 108 -4.092 9.213 -4.572 1.00 0.00 ATOM 889 N SER 109 -4.908 8.424 -5.263 1.00 0.00 ATOM 890 CA SER 109 -5.757 8.933 -6.348 1.00 0.00 ATOM 891 CB SER 109 -5.598 8.060 -7.577 1.00 0.00 ATOM 892 OG SER 109 -6.104 6.761 -7.387 1.00 0.00 ATOM 893 O SER 109 -7.508 8.008 -4.980 1.00 0.00 ATOM 894 C SER 109 -7.217 8.715 -5.942 1.00 0.00 ATOM 895 N PRO 110 -8.162 9.315 -6.646 1.00 0.00 ATOM 896 CA PRO 110 -9.570 9.262 -6.230 1.00 0.00 ATOM 897 CB PRO 110 -10.192 10.485 -6.913 1.00 0.00 ATOM 898 CG PRO 110 -9.316 10.717 -8.093 1.00 0.00 ATOM 899 CD PRO 110 -7.947 10.193 -7.803 1.00 0.00 ATOM 900 O PRO 110 -10.862 7.865 -7.720 1.00 0.00 ATOM 901 C PRO 110 -10.240 7.949 -6.668 1.00 0.00 ATOM 902 N VAL 111 -10.031 6.954 -5.812 1.00 0.00 ATOM 903 CA VAL 111 -10.481 5.598 -6.097 1.00 0.00 ATOM 904 CB VAL 111 -9.270 4.624 -6.049 1.00 0.00 ATOM 905 CG1 VAL 111 -9.748 3.185 -6.113 1.00 0.00 ATOM 906 CG2 VAL 111 -8.347 4.919 -7.219 1.00 0.00 ATOM 907 O VAL 111 -11.158 5.580 -3.787 1.00 0.00 ATOM 908 C VAL 111 -11.264 5.048 -4.902 1.00 0.00 ATOM 909 N ASN 112 -12.014 3.982 -5.138 1.00 0.00 ATOM 910 CA ASN 112 -12.748 3.313 -4.077 1.00 0.00 ATOM 911 CB ASN 112 -13.978 2.463 -4.585 1.00 0.00 ATOM 912 CG ASN 112 -15.147 3.269 -5.116 1.00 0.00 ATOM 913 ND2 ASN 112 -15.960 2.624 -5.939 1.00 0.00 ATOM 914 OD1 ASN 112 -15.206 4.520 -4.989 1.00 0.00 ATOM 915 O ASN 112 -12.008 2.625 -1.852 1.00 0.00 ATOM 916 C ASN 112 -11.790 2.611 -3.096 1.00 0.00 ATOM 917 N LYS 113 -10.755 1.992 -3.682 1.00 0.00 ATOM 918 CA LYS 113 -9.787 1.220 -2.890 1.00 0.00 ATOM 919 CB LYS 113 -8.716 0.543 -3.858 1.00 0.00 ATOM 920 CG LYS 113 -7.974 -0.672 -3.325 1.00 0.00 ATOM 921 CD LYS 113 -7.258 -1.418 -4.429 1.00 0.00 ATOM 922 CE LYS 113 -6.872 -2.825 -3.980 1.00 0.00 ATOM 923 NZ LYS 113 -8.061 -3.696 -3.701 1.00 0.00 ATOM 924 O LYS 113 -7.953 1.742 -1.390 1.00 0.00 ATOM 925 C LYS 113 -8.743 2.141 -2.260 1.00 0.00 ATOM 926 N VAL 114 -8.769 3.403 -2.619 1.00 0.00 ATOM 927 CA VAL 114 -7.814 4.369 -2.101 1.00 0.00 ATOM 928 CB VAL 114 -6.826 4.796 -3.232 1.00 0.00 ATOM 929 CG1 VAL 114 -5.758 5.727 -2.695 1.00 0.00 ATOM 930 CG2 VAL 114 -6.216 3.516 -3.833 1.00 0.00 ATOM 931 O VAL 114 -9.369 6.216 -2.133 1.00 0.00 ATOM 932 C VAL 114 -8.598 5.515 -1.457 1.00 0.00 ATOM 933 N SER 115 -8.348 5.660 -0.134 1.00 0.00 ATOM 934 CA SER 115 -8.986 6.791 0.539 1.00 0.00 ATOM 935 CB SER 115 -9.732 6.318 1.790 1.00 0.00 ATOM 936 OG SER 115 -10.270 7.417 2.506 1.00 0.00 ATOM 937 O SER 115 -6.895 7.434 1.522 1.00 0.00 ATOM 938 C SER 115 -7.911 7.788 0.945 1.00 0.00 ATOM 939 N ILE 116 -8.164 9.044 0.554 1.00 0.00 ATOM 940 CA ILE 116 -7.243 10.127 0.923 1.00 0.00 ATOM 941 CB ILE 116 -7.727 11.469 0.339 1.00 0.00 ATOM 942 CG1 ILE 116 -7.817 11.457 -1.181 1.00 0.00 ATOM 943 CG2 ILE 116 -6.855 12.620 0.868 1.00 0.00 ATOM 944 CD1 ILE 116 -8.650 12.545 -1.797 1.00 0.00 ATOM 945 O ILE 116 -6.033 10.314 3.007 1.00 0.00 ATOM 946 C ILE 116 -7.128 10.229 2.435 1.00 0.00 ATOM 947 N ALA 117 -8.662 10.252 3.150 1.00 0.00 ATOM 948 CA ALA 117 -8.622 10.478 4.591 1.00 0.00 ATOM 949 CB ALA 117 -10.015 10.259 5.213 1.00 0.00 ATOM 950 O ALA 117 -6.806 10.018 6.073 1.00 0.00 ATOM 951 C ALA 117 -7.583 9.557 5.252 1.00 0.00 ATOM 952 N TYR 118 -7.560 8.266 4.905 1.00 0.00 ATOM 953 CA TYR 118 -6.578 7.370 5.510 1.00 0.00 ATOM 954 CB TYR 118 -6.852 5.928 5.077 1.00 0.00 ATOM 955 CG TYR 118 -7.965 5.291 5.894 1.00 0.00 ATOM 956 CD1 TYR 118 -9.201 4.993 5.370 1.00 0.00 ATOM 957 CD2 TYR 118 -7.676 4.986 7.226 1.00 0.00 ATOM 958 CE1 TYR 118 -10.167 4.345 6.157 1.00 0.00 ATOM 959 CE2 TYR 118 -8.610 4.298 7.990 1.00 0.00 ATOM 960 CZ TYR 118 -9.830 4.007 7.446 1.00 0.00 ATOM 961 OH TYR 118 -10.725 3.301 8.246 1.00 0.00 ATOM 962 O TYR 118 -4.245 7.683 6.033 1.00 0.00 ATOM 963 C TYR 118 -5.145 7.757 5.218 1.00 0.00 ATOM 964 N HIS 119 -4.846 8.069 3.920 1.00 0.00 ATOM 965 CA HIS 119 -3.472 8.450 3.622 1.00 0.00 ATOM 966 CB HIS 119 -3.250 8.633 2.100 1.00 0.00 ATOM 967 CG HIS 119 -3.246 7.327 1.370 1.00 0.00 ATOM 968 CD2 HIS 119 -2.980 6.060 1.801 1.00 0.00 ATOM 969 ND1 HIS 119 -3.558 7.224 0.023 1.00 0.00 ATOM 970 CE1 HIS 119 -3.462 5.946 -0.341 1.00 0.00 ATOM 971 NE2 HIS 119 -3.072 5.230 0.712 1.00 0.00 ATOM 972 O HIS 119 -1.940 9.674 4.962 1.00 0.00 ATOM 973 C HIS 119 -3.029 9.674 4.389 1.00 0.00 ATOM 974 N THR 120 -3.843 10.718 4.447 1.00 0.00 ATOM 975 CA THR 120 -3.504 11.942 5.167 1.00 0.00 ATOM 976 CB THR 120 -4.572 13.029 4.940 1.00 0.00 ATOM 977 CG2 THR 120 -4.595 13.462 3.485 1.00 0.00 ATOM 978 OG1 THR 120 -5.860 12.518 5.306 1.00 0.00 ATOM 979 O THR 120 -2.777 12.405 7.410 1.00 0.00 ATOM 980 C THR 120 -3.410 11.659 6.663 1.00 0.00 ATOM 981 N LYS 121 -4.026 10.564 7.096 1.00 0.00 ATOM 982 CA LYS 121 -4.023 10.180 8.495 1.00 0.00 ATOM 983 CB LYS 121 -5.175 9.180 8.774 1.00 0.00 ATOM 984 CG LYS 121 -5.372 8.979 10.294 1.00 0.00 ATOM 985 CD LYS 121 -6.686 8.326 10.651 1.00 0.00 ATOM 986 CE LYS 121 -6.824 8.216 12.165 1.00 0.00 ATOM 987 NZ LYS 121 -8.132 7.627 12.563 1.00 0.00 ATOM 988 O LYS 121 -2.344 9.730 10.129 1.00 0.00 ATOM 989 C LYS 121 -2.636 9.802 8.946 1.00 0.00 ATOM 990 N LEU 122 -1.794 9.483 8.003 1.00 0.00 ATOM 991 CA LEU 122 -0.415 9.113 8.309 1.00 0.00 ATOM 992 CB LEU 122 -0.078 7.841 7.532 1.00 0.00 ATOM 993 CG LEU 122 -0.780 6.560 8.027 1.00 0.00 ATOM 994 CD1 LEU 122 -0.561 5.485 6.976 1.00 0.00 ATOM 995 CD2 LEU 122 -0.251 6.006 9.340 1.00 0.00 ATOM 996 O LEU 122 1.662 10.266 8.646 1.00 0.00 ATOM 997 C LEU 122 0.452 10.356 8.493 1.00 0.00 ATOM 998 N GLY 123 -0.075 11.533 8.275 1.00 0.00 ATOM 999 CA GLY 123 0.557 12.828 8.421 1.00 0.00 ATOM 1000 O GLY 123 2.251 14.086 7.289 1.00 0.00 ATOM 1001 C GLY 123 1.375 13.234 7.201 1.00 0.00 ATOM 1002 N PHE 124 1.089 12.624 6.057 1.00 0.00 ATOM 1003 CA PHE 124 1.827 12.953 4.863 1.00 0.00 ATOM 1004 CB PHE 124 1.739 11.844 3.800 1.00 0.00 ATOM 1005 CG PHE 124 2.159 10.464 4.213 1.00 0.00 ATOM 1006 CD1 PHE 124 3.134 10.240 5.176 1.00 0.00 ATOM 1007 CD2 PHE 124 1.592 9.348 3.600 1.00 0.00 ATOM 1008 CE1 PHE 124 3.494 8.955 5.527 1.00 0.00 ATOM 1009 CE2 PHE 124 1.952 8.063 3.944 1.00 0.00 ATOM 1010 CZ PHE 124 2.914 7.855 4.920 1.00 0.00 ATOM 1011 O PHE 124 0.024 14.493 4.413 1.00 0.00 ATOM 1012 C PHE 124 1.194 14.163 4.153 1.00 0.00 ATOM 1013 N ASP 125 1.984 14.823 3.304 1.00 0.00 ATOM 1014 CA ASP 125 1.572 15.991 2.548 1.00 0.00 ATOM 1015 CB ASP 125 2.466 16.569 1.733 1.00 0.00 ATOM 1016 CG ASP 125 2.557 17.956 2.320 1.00 0.00 ATOM 1017 OD1 ASP 125 1.940 18.243 3.357 1.00 0.00 ATOM 1018 OD2 ASP 125 3.293 18.766 1.699 1.00 0.00 ATOM 1019 O ASP 125 0.577 14.818 0.712 1.00 0.00 ATOM 1020 C ASP 125 0.432 15.672 1.587 1.00 0.00 ATOM 1021 N ILE 126 -0.667 16.408 1.689 1.00 0.00 ATOM 1022 CA ILE 126 -1.796 16.171 0.811 1.00 0.00 ATOM 1023 CB ILE 126 -2.922 17.172 1.056 1.00 0.00 ATOM 1024 CG1 ILE 126 -4.187 16.677 0.366 1.00 0.00 ATOM 1025 CG2 ILE 126 -2.548 18.561 0.608 1.00 0.00 ATOM 1026 CD1 ILE 126 -4.813 15.531 1.125 1.00 0.00 ATOM 1027 O ILE 126 -1.780 15.491 -1.477 1.00 0.00 ATOM 1028 C ILE 126 -1.414 16.322 -0.650 1.00 0.00 ATOM 1029 N GLU 127 -0.670 17.376 -0.964 1.00 0.00 ATOM 1030 CA GLU 127 -0.239 17.627 -2.332 1.00 0.00 ATOM 1031 CB GLU 127 0.631 18.879 -2.374 1.00 0.00 ATOM 1032 CG GLU 127 -0.199 20.139 -2.148 1.00 0.00 ATOM 1033 CD GLU 127 0.602 21.418 -2.065 1.00 0.00 ATOM 1034 OE1 GLU 127 1.852 21.348 -2.062 1.00 0.00 ATOM 1035 OE2 GLU 127 -0.031 22.497 -1.997 1.00 0.00 ATOM 1036 O GLU 127 0.251 16.130 -4.125 1.00 0.00 ATOM 1037 C GLU 127 0.507 16.470 -2.976 1.00 0.00 ATOM 1038 N LYS 128 1.442 15.880 -2.242 1.00 0.00 ATOM 1039 CA LYS 128 2.201 14.751 -2.770 1.00 0.00 ATOM 1040 CB LYS 128 3.362 14.557 -1.434 1.00 0.00 ATOM 1041 CG LYS 128 4.891 14.315 -1.688 1.00 0.00 ATOM 1042 CD LYS 128 5.571 14.921 -2.940 1.00 0.00 ATOM 1043 CE LYS 128 6.823 14.070 -3.191 1.00 0.00 ATOM 1044 NZ LYS 128 7.352 14.186 -4.548 1.00 0.00 ATOM 1045 O LYS 128 1.348 12.863 -3.977 1.00 0.00 ATOM 1046 C LYS 128 1.305 13.540 -2.944 1.00 0.00 ATOM 1047 N GLY 129 2.654 16.943 -6.843 1.00 0.00 ATOM 1048 CA GLY 129 1.635 17.543 -7.672 1.00 0.00 ATOM 1049 O GLY 129 0.922 17.058 -9.903 1.00 0.00 ATOM 1050 C GLY 129 1.128 16.611 -8.791 1.00 0.00 ATOM 1051 N THR 130 0.907 15.332 -8.489 1.00 0.00 ATOM 1052 CA THR 130 0.380 14.434 -9.509 1.00 0.00 ATOM 1053 CB THR 130 1.182 13.643 -10.349 1.00 0.00 ATOM 1054 CG2 THR 130 0.281 12.895 -11.338 1.00 0.00 ATOM 1055 OG1 THR 130 2.056 14.527 -11.085 1.00 0.00 ATOM 1056 O THR 130 -1.207 13.356 -8.057 1.00 0.00 ATOM 1057 C THR 130 -0.849 13.591 -9.209 1.00 0.00 ATOM 1058 N LYS 131 -1.473 13.132 -10.290 1.00 0.00 ATOM 1059 CA LYS 131 -2.623 12.238 -10.237 1.00 0.00 ATOM 1060 CB LYS 131 -3.770 12.790 -10.965 1.00 0.00 ATOM 1061 CG LYS 131 -3.591 13.322 -12.363 1.00 0.00 ATOM 1062 CD LYS 131 -4.174 14.711 -12.429 1.00 0.00 ATOM 1063 CE LYS 131 -5.051 14.938 -13.641 1.00 0.00 ATOM 1064 NZ LYS 131 -5.907 16.151 -13.414 1.00 0.00 ATOM 1065 O LYS 131 -1.114 11.057 -11.668 1.00 0.00 ATOM 1066 C LYS 131 -2.094 10.982 -10.928 1.00 0.00 ATOM 1067 N THR 132 -2.705 9.838 -10.698 1.00 0.00 ATOM 1068 CA THR 132 -2.263 8.571 -11.281 1.00 0.00 ATOM 1069 CB THR 132 -2.741 7.283 -10.495 1.00 0.00 ATOM 1070 CG2 THR 132 -2.491 7.439 -9.006 1.00 0.00 ATOM 1071 OG1 THR 132 -4.132 7.026 -10.738 1.00 0.00 ATOM 1072 O THR 132 -1.954 7.960 -13.578 1.00 0.00 ATOM 1073 C THR 132 -2.695 8.477 -12.740 1.00 0.00 ATOM 1074 N VAL 133 -3.888 8.967 -13.067 1.00 0.00 ATOM 1075 CA VAL 133 -4.404 8.842 -14.435 1.00 0.00 ATOM 1076 CB VAL 133 -5.235 7.502 -14.599 1.00 0.00 ATOM 1077 CG1 VAL 133 -4.435 6.296 -14.148 1.00 0.00 ATOM 1078 CG2 VAL 133 -6.495 7.635 -13.772 1.00 0.00 ATOM 1079 O VAL 133 -5.956 10.638 -14.137 1.00 0.00 ATOM 1080 C VAL 133 -5.049 10.182 -14.827 1.00 0.00 ATOM 1081 N ASN 134 -4.492 10.799 -15.851 1.00 0.00 ATOM 1082 CA ASN 134 -5.062 12.013 -16.448 1.00 0.00 ATOM 1083 CB ASN 134 -6.382 11.640 -17.190 1.00 0.00 ATOM 1084 CG ASN 134 -6.103 10.560 -18.236 1.00 0.00 ATOM 1085 ND2 ASN 134 -7.087 9.702 -18.488 1.00 0.00 ATOM 1086 OD1 ASN 134 -5.015 10.468 -18.792 1.00 0.00 ATOM 1087 O ASN 134 -6.196 14.007 -15.635 1.00 0.00 ATOM 1088 C ASN 134 -5.321 13.139 -15.438 1.00 0.00 ATOM 1089 N GLY 135 -4.540 13.131 -14.360 1.00 0.00 ATOM 1090 CA GLY 135 -4.686 14.158 -13.348 1.00 0.00 ATOM 1091 O GLY 135 -6.432 14.978 -11.928 1.00 0.00 ATOM 1092 C GLY 135 -5.973 14.021 -12.545 1.00 0.00 ATOM 1093 N ILE 136 -6.557 12.840 -12.546 1.00 0.00 ATOM 1094 CA ILE 136 -7.804 12.617 -11.805 1.00 0.00 ATOM 1095 CB ILE 136 -8.303 11.203 -11.878 1.00 0.00 ATOM 1096 CG1 ILE 136 -9.645 11.085 -11.152 1.00 0.00 ATOM 1097 CG2 ILE 136 -7.275 10.213 -11.336 1.00 0.00 ATOM 1098 CD1 ILE 136 -10.343 9.747 -11.383 1.00 0.00 ATOM 1099 O ILE 136 -8.398 13.416 -9.591 1.00 0.00 ATOM 1100 C ILE 136 -7.561 12.811 -10.315 1.00 0.00 ATOM 1101 N SER 137 -6.464 13.034 -8.221 1.00 0.00 ATOM 1102 CA SER 137 -6.241 12.069 -7.158 1.00 0.00 ATOM 1103 CB SER 137 -7.360 11.005 -7.208 1.00 0.00 ATOM 1104 OG SER 137 -7.329 10.360 -8.473 1.00 0.00 ATOM 1105 O SER 137 -4.788 10.230 -6.675 1.00 0.00 ATOM 1106 C SER 137 -4.901 11.343 -7.181 1.00 0.00 ATOM 1107 N VAL 138 -3.891 11.975 -7.793 1.00 0.00 ATOM 1108 CA VAL 138 -2.556 11.409 -7.852 1.00 0.00 ATOM 1109 CB VAL 138 -2.036 10.561 -8.741 1.00 0.00 ATOM 1110 CG1 VAL 138 -0.532 10.460 -8.568 1.00 0.00 ATOM 1111 CG2 VAL 138 -2.686 9.212 -8.472 1.00 0.00 ATOM 1112 O VAL 138 -1.804 13.538 -7.026 1.00 0.00 ATOM 1113 C VAL 138 -1.837 12.315 -6.861 1.00 0.00 ATOM 1114 N PHE 139 -1.306 11.688 -5.811 1.00 0.00 ATOM 1115 CA PHE 139 -0.639 12.453 -4.741 1.00 0.00 ATOM 1116 CB PHE 139 -1.446 12.381 -3.453 1.00 0.00 ATOM 1117 CG PHE 139 -2.479 13.485 -3.403 1.00 0.00 ATOM 1118 CD1 PHE 139 -2.108 14.816 -3.520 1.00 0.00 ATOM 1119 CD2 PHE 139 -3.808 13.160 -3.199 1.00 0.00 ATOM 1120 CE1 PHE 139 -3.099 15.795 -3.464 1.00 0.00 ATOM 1121 CE2 PHE 139 -4.799 14.136 -3.126 1.00 0.00 ATOM 1122 CZ PHE 139 -4.425 15.455 -3.290 1.00 0.00 ATOM 1123 O PHE 139 0.511 10.394 -4.338 1.00 0.00 ATOM 1124 C PHE 139 0.530 11.600 -4.248 1.00 0.00 ATOM 1125 N ALA 140 1.594 12.205 -3.770 1.00 0.00 ATOM 1126 CA ALA 140 2.748 11.463 -3.281 1.00 0.00 ATOM 1127 CB ALA 140 3.675 11.046 -4.427 1.00 0.00 ATOM 1128 O ALA 140 3.581 13.597 -2.608 1.00 0.00 ATOM 1129 C ALA 140 3.511 12.392 -2.360 1.00 0.00 ATOM 1130 N ASN 141 4.064 11.833 -1.307 1.00 0.00 ATOM 1131 CA ASN 141 4.839 12.585 -0.319 1.00 0.00 ATOM 1132 CB ASN 141 4.337 12.094 0.972 1.00 0.00 ATOM 1133 CG ASN 141 3.494 13.303 1.339 1.00 0.00 ATOM 1134 ND2 ASN 141 2.187 13.167 1.178 1.00 0.00 ATOM 1135 OD1 ASN 141 4.038 14.348 1.708 1.00 0.00 ATOM 1136 O ASN 141 6.167 10.555 -0.095 1.00 0.00 ATOM 1137 C ASN 141 6.104 11.774 0.079 1.00 0.00 ATOM 1138 N TYR 142 7.047 12.534 0.624 1.00 0.00 ATOM 1139 CA TYR 142 8.331 11.989 1.086 1.00 0.00 ATOM 1140 CB TYR 142 9.536 12.517 0.223 1.00 0.00 ATOM 1141 CG TYR 142 9.774 13.984 0.395 1.00 0.00 ATOM 1142 CD1 TYR 142 9.079 14.930 -0.387 1.00 0.00 ATOM 1143 CD2 TYR 142 10.653 14.435 1.400 1.00 0.00 ATOM 1144 CE1 TYR 142 9.288 16.289 -0.222 1.00 0.00 ATOM 1145 CE2 TYR 142 10.863 15.784 1.564 1.00 0.00 ATOM 1146 CZ TYR 142 10.177 16.701 0.766 1.00 0.00 ATOM 1147 OH TYR 142 10.438 18.026 0.970 1.00 0.00 ATOM 1148 O TYR 142 9.468 11.380 3.103 1.00 0.00 ATOM 1149 C TYR 142 8.636 12.120 2.566 1.00 0.00 ATOM 1150 N ASP 143 7.986 13.035 3.229 1.00 0.00 ATOM 1151 CA ASP 143 8.190 13.308 4.670 1.00 0.00 ATOM 1152 CB ASP 143 7.752 14.761 4.736 1.00 0.00 ATOM 1153 CG ASP 143 9.049 15.507 4.779 1.00 0.00 ATOM 1154 OD1 ASP 143 10.115 14.883 4.965 1.00 0.00 ATOM 1155 OD2 ASP 143 9.041 16.768 4.646 1.00 0.00 ATOM 1156 O ASP 143 5.850 12.989 5.249 1.00 0.00 ATOM 1157 C ASP 143 7.023 12.586 5.358 1.00 0.00 ATOM 1158 N GLY 144 7.352 11.465 5.985 1.00 0.00 ATOM 1159 CA GLY 144 6.344 10.638 6.636 1.00 0.00 ATOM 1160 O GLY 144 6.289 12.305 8.380 1.00 0.00 ATOM 1161 C GLY 144 5.716 11.361 7.819 1.00 0.00 ATOM 1162 N PRO 145 4.546 10.927 8.266 1.00 0.00 ATOM 1163 CA PRO 145 3.834 11.551 9.393 1.00 0.00 ATOM 1164 CB PRO 145 2.701 10.581 9.612 1.00 0.00 ATOM 1165 CG PRO 145 3.442 9.281 9.370 1.00 0.00 ATOM 1166 CD PRO 145 4.171 9.569 8.080 1.00 0.00 ATOM 1167 O PRO 145 4.063 12.540 11.571 1.00 0.00 ATOM 1168 C PRO 145 4.592 11.847 10.697 1.00 0.00 ATOM 1169 N GLY 146 5.808 11.327 10.838 1.00 0.00 ATOM 1170 CA GLY 146 6.561 11.577 12.056 1.00 0.00 ATOM 1171 O GLY 146 8.576 12.693 12.730 1.00 0.00 ATOM 1172 C GLY 146 7.800 12.415 11.809 1.00 0.00 ATOM 1173 N GLN 147 7.986 12.814 10.554 1.00 0.00 ATOM 1174 CA GLN 147 9.142 13.608 10.155 1.00 0.00 ATOM 1175 CB GLN 147 9.154 13.767 8.637 1.00 0.00 ATOM 1176 CG GLN 147 10.389 14.459 8.102 1.00 0.00 ATOM 1177 CD GLN 147 11.663 13.827 8.610 1.00 0.00 ATOM 1178 OE1 GLN 147 12.168 14.186 9.678 1.00 0.00 ATOM 1179 NE2 GLN 147 12.186 12.865 7.856 1.00 0.00 ATOM 1180 O GLN 147 8.084 15.569 11.037 1.00 0.00 ATOM 1181 C GLN 147 9.145 14.980 10.816 1.00 0.00 ATOM 1182 N ASP 148 10.335 15.474 11.108 1.00 0.00 ATOM 1183 CA ASP 148 10.479 16.782 11.754 1.00 0.00 ATOM 1184 CB ASP 148 11.926 17.010 12.166 1.00 0.00 ATOM 1185 CG ASP 148 12.369 15.967 13.190 1.00 0.00 ATOM 1186 OD1 ASP 148 11.551 15.599 14.046 1.00 0.00 ATOM 1187 OD2 ASP 148 13.548 15.562 13.092 1.00 0.00 ATOM 1188 O ASP 148 9.249 18.806 11.339 1.00 0.00 ATOM 1189 C ASP 148 9.943 17.882 10.858 1.00 0.00 ATOM 1190 N ARG 149 10.253 17.826 9.571 1.00 0.00 ATOM 1191 CA ARG 149 9.737 18.803 8.617 1.00 0.00 ATOM 1192 CB ARG 149 10.390 18.591 7.246 1.00 0.00 ATOM 1193 CG ARG 149 10.207 19.737 6.257 1.00 0.00 ATOM 1194 CD ARG 149 10.824 21.034 6.777 1.00 0.00 ATOM 1195 NE ARG 149 12.096 20.799 7.462 1.00 0.00 ATOM 1196 CZ ARG 149 13.204 20.356 6.876 1.00 0.00 ATOM 1197 NH1 ARG 149 13.222 20.100 5.575 1.00 0.00 ATOM 1198 NH2 ARG 149 14.293 20.137 7.601 1.00 0.00 ATOM 1199 O ARG 149 7.552 19.760 8.371 1.00 0.00 ATOM 1200 C ARG 149 8.220 18.731 8.476 1.00 0.00 ATOM 1201 N VAL 150 7.700 17.496 8.466 1.00 0.00 ATOM 1202 CA VAL 150 6.231 17.358 8.340 1.00 0.00 ATOM 1203 CB VAL 150 5.765 15.979 8.002 1.00 0.00 ATOM 1204 CG1 VAL 150 4.252 15.860 8.211 1.00 0.00 ATOM 1205 CG2 VAL 150 6.138 15.671 6.552 1.00 0.00 ATOM 1206 O VAL 150 4.571 18.572 9.646 1.00 0.00 ATOM 1207 C VAL 150 5.582 17.848 9.620 1.00 0.00 ATOM 1208 N LEU 151 6.134 17.482 10.790 1.00 0.00 ATOM 1209 CA LEU 151 5.618 17.879 12.071 1.00 0.00 ATOM 1210 CB LEU 151 6.563 17.470 13.197 1.00 0.00 ATOM 1211 CG LEU 151 6.139 17.803 14.632 1.00 0.00 ATOM 1212 CD1 LEU 151 4.743 17.252 14.932 1.00 0.00 ATOM 1213 CD2 LEU 151 7.166 17.204 15.592 1.00 0.00 ATOM 1214 O LEU 151 4.441 19.861 12.704 1.00 0.00 ATOM 1215 C LEU 151 5.475 19.405 12.198 1.00 0.00 ATOM 1216 N PHE 152 6.480 20.164 11.768 1.00 0.00 ATOM 1217 CA PHE 152 6.428 21.624 11.903 1.00 0.00 ATOM 1218 CB PHE 152 7.814 22.181 12.228 1.00 0.00 ATOM 1219 CG PHE 152 8.298 21.839 13.607 1.00 0.00 ATOM 1220 CD1 PHE 152 7.425 21.343 14.558 1.00 0.00 ATOM 1221 CD2 PHE 152 9.627 22.012 13.953 1.00 0.00 ATOM 1222 CE1 PHE 152 7.870 21.027 15.830 1.00 0.00 ATOM 1223 CE2 PHE 152 10.073 21.695 15.223 1.00 0.00 ATOM 1224 CZ PHE 152 9.202 21.205 16.158 1.00 0.00 ATOM 1225 O PHE 152 6.514 23.304 10.196 1.00 0.00 ATOM 1226 C PHE 152 5.945 22.296 10.620 1.00 0.00 ATOM 1227 N VAL 153 4.902 21.768 9.986 1.00 0.00 ATOM 1228 CA VAL 153 4.340 22.310 8.754 1.00 0.00 ATOM 1229 CB VAL 153 4.611 21.358 7.582 1.00 0.00 ATOM 1230 CG1 VAL 153 3.961 21.909 6.319 1.00 0.00 ATOM 1231 CG2 VAL 153 6.131 21.239 7.364 1.00 0.00 ATOM 1232 O VAL 153 2.267 21.294 9.347 1.00 0.00 ATOM 1233 C VAL 153 2.825 22.300 8.922 1.00 0.00 ATOM 1234 N LYS 154 2.167 23.407 8.604 1.00 0.00 ATOM 1235 CA LYS 154 0.727 23.532 8.662 1.00 0.00 ATOM 1236 CB LYS 154 0.215 24.917 8.196 1.00 0.00 ATOM 1237 CG LYS 154 0.649 26.105 9.015 1.00 0.00 ATOM 1238 CD LYS 154 -0.043 27.382 8.518 1.00 0.00 ATOM 1239 CE LYS 154 0.727 28.624 8.953 1.00 0.00 ATOM 1240 NZ LYS 154 -0.044 29.845 8.555 1.00 0.00 ATOM 1241 O LYS 154 -0.925 21.863 8.139 1.00 0.00 ATOM 1242 C LYS 154 0.036 22.515 7.754 1.00 0.00 ATOM 1243 N ASN 155 0.606 22.310 6.564 1.00 0.00 ATOM 1244 CA ASN 155 0.096 21.288 5.660 1.00 0.00 ATOM 1245 CB ASN 155 0.807 21.408 4.299 1.00 0.00 ATOM 1246 CG ASN 155 0.103 22.488 3.480 1.00 0.00 ATOM 1247 ND2 ASN 155 0.561 23.719 3.614 1.00 0.00 ATOM 1248 OD1 ASN 155 -0.853 22.168 2.761 1.00 0.00 ATOM 1249 O ASN 155 -0.556 19.007 5.820 1.00 0.00 ATOM 1250 C ASN 155 0.214 19.897 6.237 1.00 0.00 ATOM 1251 N ILE 156 1.179 19.604 7.099 1.00 0.00 ATOM 1252 CA ILE 156 1.292 18.270 7.674 1.00 0.00 ATOM 1253 CB ILE 156 2.771 17.792 7.652 1.00 0.00 ATOM 1254 CG1 ILE 156 3.490 17.878 6.309 1.00 0.00 ATOM 1255 CG2 ILE 156 2.929 16.371 8.146 1.00 0.00 ATOM 1256 CD1 ILE 156 2.791 17.165 5.169 1.00 0.00 ATOM 1257 O ILE 156 0.919 18.939 9.948 1.00 0.00 ATOM 1258 C ILE 156 0.625 18.143 9.034 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 16:07:14 2002 Date: Thu, 5 Sep 2002 16:07:08 -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 Sep 5 15:13:36 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_366472_42086 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_3 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 AUTHOR 4069-6308-1312 # Reading MODEL 3 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 3 PARENT N/A ATOM 1 N MET 1 1.649 -16.179 1.642 1.00 0.00 ATOM 2 CA MET 1 0.333 -16.714 1.196 1.00 0.00 ATOM 3 CB MET 1 0.827 -18.291 0.737 1.00 0.00 ATOM 4 CG MET 1 -0.137 -19.171 -0.022 1.00 0.00 ATOM 5 SD MET 1 0.401 -19.460 -1.724 1.00 0.00 ATOM 6 CE MET 1 1.993 -18.594 -1.789 1.00 0.00 ATOM 7 O MET 1 -1.830 -16.988 2.206 1.00 0.00 ATOM 8 C MET 1 -0.769 -16.372 2.195 1.00 0.00 ATOM 9 N ASP 2 -0.434 -15.404 3.062 1.00 0.00 ATOM 10 CA ASP 2 -1.350 -14.980 4.086 1.00 0.00 ATOM 11 CB ASP 2 -1.173 -15.827 5.348 1.00 0.00 ATOM 12 CG ASP 2 0.199 -15.663 5.971 1.00 0.00 ATOM 13 OD1 ASP 2 0.602 -16.542 6.762 1.00 0.00 ATOM 14 OD2 ASP 2 0.872 -14.655 5.670 1.00 0.00 ATOM 15 O ASP 2 -0.034 -13.018 3.965 1.00 0.00 ATOM 16 C ASP 2 -1.047 -13.528 4.390 1.00 0.00 ATOM 17 N ILE 3 -1.938 -12.851 5.101 1.00 0.00 ATOM 18 CA ILE 3 -1.776 -11.452 5.415 1.00 0.00 ATOM 19 CB ILE 3 -2.812 -10.585 4.676 1.00 0.00 ATOM 20 CG1 ILE 3 -2.553 -9.099 4.943 1.00 0.00 ATOM 21 CG2 ILE 3 -4.220 -10.919 5.144 1.00 0.00 ATOM 22 CD1 ILE 3 -3.321 -8.171 4.028 1.00 0.00 ATOM 23 O ILE 3 -2.822 -11.883 7.519 1.00 0.00 ATOM 24 C ILE 3 -1.959 -11.259 6.920 1.00 0.00 ATOM 25 N ARG 4 -1.153 -10.381 7.501 1.00 0.00 ATOM 26 CA ARG 4 -1.178 -10.067 8.912 1.00 0.00 ATOM 27 CB ARG 4 -0.079 -10.744 9.716 1.00 0.00 ATOM 28 CG ARG 4 -0.218 -10.449 11.228 1.00 0.00 ATOM 29 CD ARG 4 0.939 -11.155 11.962 1.00 0.00 ATOM 30 NE ARG 4 0.771 -12.631 11.766 1.00 0.00 ATOM 31 CZ ARG 4 1.769 -13.430 12.280 1.00 0.00 ATOM 32 NH1 ARG 4 2.795 -12.912 12.938 1.00 0.00 ATOM 33 NH2 ARG 4 1.641 -14.762 12.149 1.00 0.00 ATOM 34 O ARG 4 -0.059 -8.070 8.181 1.00 0.00 ATOM 35 C ARG 4 -0.606 -8.653 9.109 1.00 0.00 ATOM 36 N THR 5 -0.742 -8.115 10.315 1.00 0.00 ATOM 37 CA THR 5 -0.171 -6.813 10.643 1.00 0.00 ATOM 38 CB THR 5 -0.621 -6.335 12.036 1.00 0.00 ATOM 39 CG2 THR 5 -2.134 -6.187 12.087 1.00 0.00 ATOM 40 OG1 THR 5 -0.214 -7.287 13.025 1.00 0.00 ATOM 41 O THR 5 1.929 -7.979 10.880 1.00 0.00 ATOM 42 C THR 5 1.353 -6.919 10.630 1.00 0.00 ATOM 43 N ILE 6 2.003 -5.796 10.363 1.00 0.00 ATOM 44 CA ILE 6 3.438 -5.747 10.333 1.00 0.00 ATOM 45 CB ILE 6 3.949 -4.387 9.822 1.00 0.00 ATOM 46 CG1 ILE 6 5.436 -4.470 9.475 1.00 0.00 ATOM 47 CG2 ILE 6 3.759 -3.313 10.883 1.00 0.00 ATOM 48 CD1 ILE 6 5.948 -3.283 8.688 1.00 0.00 ATOM 49 O ILE 6 3.348 -5.656 12.727 1.00 0.00 ATOM 50 C ILE 6 3.990 -5.968 11.739 1.00 0.00 ATOM 51 N THR 7 5.198 -6.499 11.836 1.00 0.00 ATOM 52 CA THR 7 5.791 -6.716 13.151 1.00 0.00 ATOM 53 CB THR 7 5.851 -8.213 13.504 1.00 0.00 ATOM 54 CG2 THR 7 4.461 -8.827 13.460 1.00 0.00 ATOM 55 OG1 THR 7 6.690 -8.895 12.564 1.00 0.00 ATOM 56 O THR 7 7.785 -5.922 12.097 1.00 0.00 ATOM 57 C THR 7 7.197 -6.160 13.156 1.00 0.00 ATOM 58 N SER 8 7.730 -5.967 14.358 1.00 0.00 ATOM 59 CA SER 8 9.076 -5.453 14.563 1.00 0.00 ATOM 60 CB SER 8 9.462 -5.535 16.041 1.00 0.00 ATOM 61 OG SER 8 8.649 -4.685 16.829 1.00 0.00 ATOM 62 O SER 8 11.052 -5.614 13.279 1.00 0.00 ATOM 63 C SER 8 10.120 -6.208 13.790 1.00 0.00 ATOM 64 N SER 9 9.973 -7.525 13.714 1.00 0.00 ATOM 65 CA SER 9 10.928 -8.333 12.964 1.00 0.00 ATOM 66 CB SER 9 10.720 -9.820 13.257 1.00 0.00 ATOM 67 OG SER 9 9.471 -10.268 12.759 1.00 0.00 ATOM 68 O SER 9 11.697 -8.715 10.766 1.00 0.00 ATOM 69 C SER 9 10.840 -8.183 11.459 1.00 0.00 ATOM 70 N ASP 10 9.838 -7.461 10.932 1.00 0.00 ATOM 71 CA ASP 10 9.722 -7.300 9.457 1.00 0.00 ATOM 72 CB ASP 10 8.298 -6.894 9.071 1.00 0.00 ATOM 73 CG ASP 10 7.297 -8.011 9.283 1.00 0.00 ATOM 74 OD1 ASP 10 6.314 -8.081 8.513 1.00 0.00 ATOM 75 OD2 ASP 10 7.492 -8.816 10.218 1.00 0.00 ATOM 76 O ASP 10 10.719 -6.033 7.684 1.00 0.00 ATOM 77 C ASP 10 10.676 -6.216 8.880 1.00 0.00 ATOM 78 N TYR 11 11.448 -5.519 9.707 1.00 0.00 ATOM 79 CA TYR 11 12.290 -4.442 9.167 1.00 0.00 ATOM 80 CB TYR 11 13.409 -4.113 10.168 1.00 0.00 ATOM 81 CG TYR 11 14.382 -3.082 9.656 1.00 0.00 ATOM 82 CD1 TYR 11 14.111 -1.723 9.781 1.00 0.00 ATOM 83 CD2 TYR 11 15.540 -3.465 8.994 1.00 0.00 ATOM 84 CE1 TYR 11 14.964 -0.779 9.253 1.00 0.00 ATOM 85 CE2 TYR 11 16.394 -2.527 8.461 1.00 0.00 ATOM 86 CZ TYR 11 16.101 -1.186 8.592 1.00 0.00 ATOM 87 OH TYR 11 16.941 -0.241 8.044 1.00 0.00 ATOM 88 O TYR 11 12.856 -3.964 6.914 1.00 0.00 ATOM 89 C TYR 11 13.048 -4.675 7.860 1.00 0.00 ATOM 90 N GLU 12 13.920 -5.663 7.807 1.00 0.00 ATOM 91 CA GLU 12 14.677 -5.955 6.597 1.00 0.00 ATOM 92 CB GLU 12 15.462 -7.258 6.756 1.00 0.00 ATOM 93 CG GLU 12 16.295 -7.635 5.542 1.00 0.00 ATOM 94 CD GLU 12 17.097 -8.903 5.756 1.00 0.00 ATOM 95 OE1 GLU 12 16.999 -9.489 6.854 1.00 0.00 ATOM 96 OE2 GLU 12 17.822 -9.310 4.826 1.00 0.00 ATOM 97 O GLU 12 13.968 -5.374 4.412 1.00 0.00 ATOM 98 C GLU 12 13.812 -6.109 5.380 1.00 0.00 ATOM 99 N MET 13 12.905 -7.080 5.428 1.00 0.00 ATOM 100 CA MET 13 12.062 -7.371 4.281 1.00 0.00 ATOM 101 CB MET 13 11.138 -8.553 4.581 1.00 0.00 ATOM 102 CG MET 13 11.856 -9.887 4.700 1.00 0.00 ATOM 103 SD MET 13 12.693 -10.364 3.176 1.00 0.00 ATOM 104 CE MET 13 11.295 -10.675 2.103 1.00 0.00 ATOM 105 O MET 13 10.945 -6.142 2.593 1.00 0.00 ATOM 106 C MET 13 11.133 -6.285 3.787 1.00 0.00 ATOM 107 N VAL 14 10.579 -5.532 4.721 1.00 0.00 ATOM 108 CA VAL 14 9.677 -4.431 4.462 1.00 0.00 ATOM 109 CB VAL 14 9.007 -3.934 5.756 1.00 0.00 ATOM 110 CG1 VAL 14 8.210 -2.667 5.491 1.00 0.00 ATOM 111 CG2 VAL 14 8.059 -4.992 6.305 1.00 0.00 ATOM 112 O VAL 14 10.023 -2.716 2.868 1.00 0.00 ATOM 113 C VAL 14 10.455 -3.284 3.852 1.00 0.00 ATOM 114 N THR 15 11.605 -2.935 4.408 1.00 0.00 ATOM 115 CA THR 15 12.366 -1.847 3.796 1.00 0.00 ATOM 116 CB THR 15 13.647 -1.534 4.593 1.00 0.00 ATOM 117 CG2 THR 15 14.443 -0.433 3.913 1.00 0.00 ATOM 118 OG1 THR 15 13.299 -1.107 5.916 1.00 0.00 ATOM 119 O THR 15 12.740 -1.474 1.430 1.00 0.00 ATOM 120 C THR 15 12.744 -2.276 2.390 1.00 0.00 ATOM 121 N SER 16 13.046 -3.554 2.245 1.00 0.00 ATOM 122 CA SER 16 13.410 -4.050 0.946 1.00 0.00 ATOM 123 CB SER 16 13.829 -5.519 1.031 1.00 0.00 ATOM 124 OG SER 16 15.019 -5.667 1.787 1.00 0.00 ATOM 125 O SER 16 12.451 -3.550 -1.199 1.00 0.00 ATOM 126 C SER 16 12.240 -3.955 -0.055 1.00 0.00 ATOM 127 N VAL 17 11.010 -4.300 0.332 1.00 0.00 ATOM 128 CA VAL 17 9.953 -4.203 -0.674 1.00 0.00 ATOM 129 CB VAL 17 8.638 -4.953 -0.227 1.00 0.00 ATOM 130 CG1 VAL 17 8.846 -6.473 -0.229 1.00 0.00 ATOM 131 CG2 VAL 17 8.191 -4.486 1.161 1.00 0.00 ATOM 132 O VAL 17 8.973 -2.441 -1.974 1.00 0.00 ATOM 133 C VAL 17 9.451 -2.761 -0.888 1.00 0.00 ATOM 134 N LEU 18 9.634 -1.892 0.117 1.00 0.00 ATOM 135 CA LEU 18 9.230 -0.488 0.029 1.00 0.00 ATOM 136 CB LEU 18 8.974 -0.034 1.560 1.00 0.00 ATOM 137 CG LEU 18 8.498 1.392 1.901 1.00 0.00 ATOM 138 CD1 LEU 18 9.656 2.397 1.809 1.00 0.00 ATOM 139 CD2 LEU 18 7.357 1.814 1.004 1.00 0.00 ATOM 140 O LEU 18 9.770 1.317 -1.428 1.00 0.00 ATOM 141 C LEU 18 10.153 0.269 -0.903 1.00 0.00 ATOM 142 N ASN 19 11.360 -0.268 -1.104 1.00 0.00 ATOM 143 CA ASN 19 12.340 0.373 -1.983 1.00 0.00 ATOM 144 CB ASN 19 13.621 -0.460 -2.055 1.00 0.00 ATOM 145 CG ASN 19 14.738 0.249 -2.794 1.00 0.00 ATOM 146 ND2 ASN 19 15.189 -0.346 -3.891 1.00 0.00 ATOM 147 OD1 ASN 19 15.186 1.319 -2.380 1.00 0.00 ATOM 148 O ASN 19 12.127 1.403 -4.138 1.00 0.00 ATOM 149 C ASN 19 11.772 0.511 -3.388 1.00 0.00 ATOM 150 N GLU 20 10.904 -0.410 -3.737 1.00 0.00 ATOM 151 CA GLU 20 10.256 -0.457 -5.041 1.00 0.00 ATOM 152 CB GLU 20 9.567 -1.825 -5.212 1.00 0.00 ATOM 153 CG GLU 20 8.878 -2.069 -6.575 1.00 0.00 ATOM 154 CD GLU 20 9.818 -2.102 -7.784 1.00 0.00 ATOM 155 OE1 GLU 20 9.358 -2.557 -8.855 1.00 0.00 ATOM 156 OE2 GLU 20 10.996 -1.666 -7.700 1.00 0.00 ATOM 157 O GLU 20 9.133 1.263 -6.307 1.00 0.00 ATOM 158 C GLU 20 9.401 0.810 -5.214 1.00 0.00 ATOM 159 N TRP 21 8.981 1.381 -4.103 1.00 0.00 ATOM 160 CA TRP 21 8.148 2.555 -4.132 1.00 0.00 ATOM 161 CB TRP 21 7.242 2.598 -2.901 1.00 0.00 ATOM 162 CG TRP 21 6.268 3.738 -2.912 1.00 0.00 ATOM 163 CD1 TRP 21 5.045 3.765 -3.517 1.00 0.00 ATOM 164 CD2 TRP 21 6.438 5.017 -2.291 1.00 0.00 ATOM 165 CE2 TRP 21 5.277 5.769 -2.561 1.00 0.00 ATOM 166 CE3 TRP 21 7.457 5.603 -1.534 1.00 0.00 ATOM 167 NE1 TRP 21 4.441 4.979 -3.312 1.00 0.00 ATOM 168 CZ2 TRP 21 5.106 7.074 -2.100 1.00 0.00 ATOM 169 CZ3 TRP 21 7.284 6.896 -1.080 1.00 0.00 ATOM 170 CH2 TRP 21 6.120 7.619 -1.363 1.00 0.00 ATOM 171 O TRP 21 8.832 4.689 -4.946 1.00 0.00 ATOM 172 C TRP 21 9.027 3.797 -4.146 1.00 0.00 ATOM 173 N TRP 22 10.018 3.855 -3.274 1.00 0.00 ATOM 174 CA TRP 22 10.838 5.039 -3.215 1.00 0.00 ATOM 175 CB TRP 22 10.052 6.205 -2.614 1.00 0.00 ATOM 176 CG TRP 22 10.773 7.516 -2.688 1.00 0.00 ATOM 177 CD1 TRP 22 11.397 8.166 -1.660 1.00 0.00 ATOM 178 CD2 TRP 22 10.947 8.337 -3.848 1.00 0.00 ATOM 179 CE2 TRP 22 11.685 9.469 -3.452 1.00 0.00 ATOM 180 CE3 TRP 22 10.548 8.226 -5.184 1.00 0.00 ATOM 181 NE1 TRP 22 11.949 9.342 -2.111 1.00 0.00 ATOM 182 CZ2 TRP 22 12.034 10.483 -4.343 1.00 0.00 ATOM 183 CZ3 TRP 22 10.897 9.232 -6.064 1.00 0.00 ATOM 184 CH2 TRP 22 11.631 10.348 -5.644 1.00 0.00 ATOM 185 O TRP 22 12.508 3.667 -2.232 1.00 0.00 ATOM 186 C TRP 22 12.061 4.799 -2.361 1.00 0.00 ATOM 187 N GLY 23 12.595 5.874 -1.780 1.00 0.00 ATOM 188 CA GLY 23 13.764 5.804 -0.920 1.00 0.00 ATOM 189 O GLY 23 12.497 6.260 1.084 1.00 0.00 ATOM 190 C GLY 23 13.339 5.550 0.521 1.00 0.00 ATOM 191 N GLY 24 13.927 4.521 1.125 1.00 0.00 ATOM 192 CA GLY 24 13.570 4.189 2.500 1.00 0.00 ATOM 193 O GLY 24 14.271 5.099 4.605 1.00 0.00 ATOM 194 C GLY 24 14.614 4.670 3.500 1.00 0.00 ATOM 195 N ARG 25 15.884 4.606 3.117 1.00 0.00 ATOM 196 CA ARG 25 16.928 5.075 4.006 1.00 0.00 ATOM 197 CB ARG 25 16.500 6.371 4.696 1.00 0.00 ATOM 198 CG ARG 25 16.324 7.549 3.753 1.00 0.00 ATOM 199 CD ARG 25 15.880 8.796 4.501 1.00 0.00 ATOM 200 NE ARG 25 15.688 9.934 3.606 1.00 0.00 ATOM 201 CZ ARG 25 15.215 11.114 3.988 1.00 0.00 ATOM 202 NH1 ARG 25 15.074 12.091 3.103 1.00 0.00 ATOM 203 NH2 ARG 25 14.881 11.316 5.255 1.00 0.00 ATOM 204 O ARG 25 16.998 2.976 5.224 1.00 0.00 ATOM 205 C ARG 25 17.354 4.156 5.143 1.00 0.00 ATOM 206 N GLN 26 18.161 4.720 6.032 1.00 0.00 ATOM 207 CA GLN 26 18.682 3.999 7.189 1.00 0.00 ATOM 208 CB GLN 26 19.946 4.677 7.718 1.00 0.00 ATOM 209 CG GLN 26 20.604 3.944 8.874 1.00 0.00 ATOM 210 CD GLN 26 21.888 4.610 9.331 1.00 0.00 ATOM 211 OE1 GLN 26 22.291 5.639 8.789 1.00 0.00 ATOM 212 NE2 GLN 26 22.537 4.020 10.329 1.00 0.00 ATOM 213 O GLN 26 17.069 5.024 8.626 1.00 0.00 ATOM 214 C GLN 26 17.629 3.984 8.286 1.00 0.00 ATOM 215 N LEU 27 17.340 2.819 8.846 1.00 0.00 ATOM 216 CA LEU 27 16.374 2.702 9.919 1.00 0.00 ATOM 217 CB LEU 27 15.146 1.901 9.447 1.00 0.00 ATOM 218 CG LEU 27 14.101 2.543 8.518 1.00 0.00 ATOM 219 CD1 LEU 27 14.729 2.986 7.230 1.00 0.00 ATOM 220 CD2 LEU 27 12.987 1.543 8.221 1.00 0.00 ATOM 221 O LEU 27 18.101 1.307 10.819 1.00 0.00 ATOM 222 C LEU 27 17.064 1.933 11.033 1.00 0.00 ATOM 223 N LYS 28 16.503 1.997 12.222 1.00 0.00 ATOM 224 CA LYS 28 17.070 1.273 13.361 1.00 0.00 ATOM 225 CB LYS 28 17.735 2.246 14.337 1.00 0.00 ATOM 226 CG LYS 28 18.927 2.989 13.761 1.00 0.00 ATOM 227 CD LYS 28 19.545 3.924 14.785 1.00 0.00 ATOM 228 CE LYS 28 20.738 4.666 14.208 1.00 0.00 ATOM 229 NZ LYS 28 21.347 5.597 15.198 1.00 0.00 ATOM 230 O LYS 28 14.738 0.870 13.952 1.00 0.00 ATOM 231 C LYS 28 15.937 0.514 14.090 1.00 0.00 ATOM 232 N GLU 29 16.366 -0.510 14.824 1.00 0.00 ATOM 233 CA GLU 29 15.449 -1.288 15.660 1.00 0.00 ATOM 234 CB GLU 29 16.230 -2.126 16.676 1.00 0.00 ATOM 235 CG GLU 29 17.044 -3.250 16.060 1.00 0.00 ATOM 236 CD GLU 29 17.845 -4.023 17.088 1.00 0.00 ATOM 237 OE1 GLU 29 17.801 -3.647 18.278 1.00 0.00 ATOM 238 OE2 GLU 29 18.515 -5.005 16.706 1.00 0.00 ATOM 239 O GLU 29 13.348 -0.798 16.724 1.00 0.00 ATOM 240 C GLU 29 14.485 -0.406 16.442 1.00 0.00 ATOM 241 N LYS 30 14.924 0.784 16.804 1.00 0.00 ATOM 242 CA LYS 30 14.051 1.668 17.576 1.00 0.00 ATOM 243 CB LYS 30 14.855 2.814 18.192 1.00 0.00 ATOM 244 CG LYS 30 14.035 3.755 19.059 1.00 0.00 ATOM 245 CD LYS 30 14.905 4.834 19.679 1.00 0.00 ATOM 246 CE LYS 30 14.081 5.784 20.533 1.00 0.00 ATOM 247 NZ LYS 30 14.922 6.841 21.158 1.00 0.00 ATOM 248 O LYS 30 11.797 2.308 17.100 1.00 0.00 ATOM 249 C LYS 30 12.960 2.278 16.719 1.00 0.00 ATOM 250 N LEU 31 13.357 2.787 15.567 1.00 0.00 ATOM 251 CA LEU 31 12.365 3.400 14.647 1.00 0.00 ATOM 252 CB LEU 31 13.042 4.307 13.646 1.00 0.00 ATOM 253 CG LEU 31 13.231 5.787 14.086 1.00 0.00 ATOM 254 CD1 LEU 31 14.234 5.899 15.225 1.00 0.00 ATOM 255 CD2 LEU 31 13.528 6.662 12.890 1.00 0.00 ATOM 256 O LEU 31 10.270 2.466 14.170 1.00 0.00 ATOM 257 C LEU 31 11.486 2.330 14.030 1.00 0.00 ATOM 258 N PRO 32 11.975 1.297 13.366 1.00 0.00 ATOM 259 CA PRO 32 11.081 0.261 12.849 1.00 0.00 ATOM 260 CB PRO 32 11.928 -0.758 12.105 1.00 0.00 ATOM 261 CG PRO 32 13.339 -0.160 12.033 1.00 0.00 ATOM 262 CD PRO 32 13.379 1.044 12.980 1.00 0.00 ATOM 263 O PRO 32 9.016 -0.595 13.634 1.00 0.00 ATOM 264 C PRO 32 10.179 -0.341 13.905 1.00 0.00 ATOM 265 N ARG 33 10.671 -0.622 15.114 1.00 0.00 ATOM 266 CA ARG 33 9.819 -1.175 16.172 1.00 0.00 ATOM 267 CB ARG 33 10.646 -1.462 17.427 1.00 0.00 ATOM 268 CG ARG 33 11.604 -2.633 17.286 1.00 0.00 ATOM 269 CD ARG 33 12.406 -2.849 18.559 1.00 0.00 ATOM 270 NE ARG 33 13.347 -3.959 18.432 1.00 0.00 ATOM 271 CZ ARG 33 14.230 -4.300 19.366 1.00 0.00 ATOM 272 NH1 ARG 33 15.046 -5.325 19.164 1.00 0.00 ATOM 273 NH2 ARG 33 14.294 -3.615 20.499 1.00 0.00 ATOM 274 O ARG 33 7.592 -0.575 16.870 1.00 0.00 ATOM 275 C ARG 33 8.711 -0.184 16.537 1.00 0.00 ATOM 276 N LEU 34 9.031 1.101 16.498 1.00 0.00 ATOM 277 CA LEU 34 8.036 2.119 16.793 1.00 0.00 ATOM 278 CB LEU 34 8.700 3.489 16.942 1.00 0.00 ATOM 279 CG LEU 34 9.564 3.693 18.190 1.00 0.00 ATOM 280 CD1 LEU 34 10.260 5.043 18.146 1.00 0.00 ATOM 281 CD2 LEU 34 8.711 3.639 19.448 1.00 0.00 ATOM 282 O LEU 34 5.869 2.139 15.790 1.00 0.00 ATOM 283 C LEU 34 7.078 2.099 15.609 1.00 0.00 ATOM 284 N PHE 35 7.614 2.047 14.392 1.00 0.00 ATOM 285 CA PHE 35 6.783 1.997 13.192 1.00 0.00 ATOM 286 CB PHE 35 7.654 1.259 12.027 1.00 0.00 ATOM 287 CG PHE 35 7.213 1.426 10.598 1.00 0.00 ATOM 288 CD1 PHE 35 7.278 2.665 9.975 1.00 0.00 ATOM 289 CD2 PHE 35 6.720 0.348 9.884 1.00 0.00 ATOM 290 CE1 PHE 35 6.853 2.824 8.661 1.00 0.00 ATOM 291 CE2 PHE 35 6.292 0.499 8.568 1.00 0.00 ATOM 292 CZ PHE 35 6.359 1.739 7.959 1.00 0.00 ATOM 293 O PHE 35 4.744 0.757 12.898 1.00 0.00 ATOM 294 C PHE 35 5.944 0.721 13.200 1.00 0.00 ATOM 295 N PHE 36 6.550 -0.429 13.531 1.00 0.00 ATOM 296 CA PHE 36 5.812 -1.691 13.552 1.00 0.00 ATOM 297 CB PHE 36 6.791 -2.865 13.567 1.00 0.00 ATOM 298 CG PHE 36 7.698 -2.906 12.352 1.00 0.00 ATOM 299 CD1 PHE 36 8.948 -2.270 12.347 1.00 0.00 ATOM 300 CD2 PHE 36 7.282 -3.581 11.205 1.00 0.00 ATOM 301 CE1 PHE 36 9.774 -2.326 11.191 1.00 0.00 ATOM 302 CE2 PHE 36 8.086 -3.637 10.063 1.00 0.00 ATOM 303 CZ PHE 36 9.345 -3.004 10.056 1.00 0.00 ATOM 304 O PHE 36 3.713 -2.231 14.571 1.00 0.00 ATOM 305 C PHE 36 4.846 -1.763 14.722 1.00 0.00 ATOM 306 N GLU 37 5.309 -1.313 15.893 1.00 0.00 ATOM 307 CA GLU 37 4.463 -1.283 17.075 1.00 0.00 ATOM 308 CB GLU 37 5.148 -0.529 18.218 1.00 0.00 ATOM 309 CG GLU 37 4.317 -0.551 19.481 1.00 0.00 ATOM 310 CD GLU 37 4.840 0.350 20.585 1.00 0.00 ATOM 311 OE1 GLU 37 6.060 0.380 20.840 1.00 0.00 ATOM 312 OE2 GLU 37 4.002 1.012 21.219 1.00 0.00 ATOM 313 O GLU 37 2.054 -1.355 17.224 1.00 0.00 ATOM 314 C GLU 37 3.048 -0.711 16.868 1.00 0.00 ATOM 315 N HIS 38 2.928 0.478 16.296 1.00 0.00 ATOM 316 CA HIS 38 1.632 1.106 16.091 1.00 0.00 ATOM 317 CB HIS 38 1.469 2.316 17.027 1.00 0.00 ATOM 318 CG HIS 38 0.982 1.929 18.390 1.00 0.00 ATOM 319 CD2 HIS 38 1.643 1.862 19.573 1.00 0.00 ATOM 320 ND1 HIS 38 -0.282 1.430 18.642 1.00 0.00 ATOM 321 CE1 HIS 38 -0.343 1.064 19.923 1.00 0.00 ATOM 322 NE2 HIS 38 0.799 1.309 20.526 1.00 0.00 ATOM 323 O HIS 38 0.425 2.308 14.392 1.00 0.00 ATOM 324 C HIS 38 1.298 1.472 14.639 1.00 0.00 ATOM 325 N PHE 39 1.986 0.863 13.674 1.00 0.00 ATOM 326 CA PHE 39 1.682 1.136 12.264 1.00 0.00 ATOM 327 CB PHE 39 2.419 1.234 11.267 1.00 0.00 ATOM 328 CG PHE 39 2.775 2.706 11.172 1.00 0.00 ATOM 329 CD1 PHE 39 2.213 3.638 12.047 1.00 0.00 ATOM 330 CD2 PHE 39 3.657 3.159 10.192 1.00 0.00 ATOM 331 CE1 PHE 39 2.522 4.996 11.944 1.00 0.00 ATOM 332 CE2 PHE 39 3.973 4.524 10.077 1.00 0.00 ATOM 333 CZ PHE 39 3.405 5.442 10.956 1.00 0.00 ATOM 334 O PHE 39 0.234 -0.797 12.273 1.00 0.00 ATOM 335 C PHE 39 0.392 0.394 11.928 1.00 0.00 ATOM 336 N GLN 40 -0.517 1.119 11.303 1.00 0.00 ATOM 337 CA GLN 40 -1.817 0.520 10.932 1.00 0.00 ATOM 338 CB GLN 40 -2.786 1.566 10.390 1.00 0.00 ATOM 339 CG GLN 40 -3.216 2.510 11.504 1.00 0.00 ATOM 340 CD GLN 40 -3.986 3.687 10.984 1.00 0.00 ATOM 341 OE1 GLN 40 -3.902 4.079 9.833 1.00 0.00 ATOM 342 NE2 GLN 40 -4.770 4.267 11.884 1.00 0.00 ATOM 343 O GLN 40 -2.548 -1.577 10.082 1.00 0.00 ATOM 344 C GLN 40 -1.730 -0.653 9.965 1.00 0.00 ATOM 345 N ASP 41 -0.943 -1.378 9.031 1.00 0.00 ATOM 346 CA ASP 41 0.175 -1.790 8.160 1.00 0.00 ATOM 347 CB ASP 41 1.502 -1.371 8.799 1.00 0.00 ATOM 348 CG ASP 41 2.704 -1.850 7.993 1.00 0.00 ATOM 349 OD1 ASP 41 2.540 -2.502 6.932 1.00 0.00 ATOM 350 OD2 ASP 41 3.828 -1.569 8.440 1.00 0.00 ATOM 351 O ASP 41 0.672 -3.996 8.820 1.00 0.00 ATOM 352 C ASP 41 0.257 -3.256 7.952 1.00 0.00 ATOM 353 N THR 42 -0.126 -3.659 6.755 1.00 0.00 ATOM 354 CA THR 42 -0.180 -5.057 6.407 1.00 0.00 ATOM 355 CB THR 42 -1.454 -5.389 5.606 1.00 0.00 ATOM 356 CG2 THR 42 -2.695 -5.058 6.416 1.00 0.00 ATOM 357 OG1 THR 42 -1.470 -4.626 4.394 1.00 0.00 ATOM 358 O THR 42 1.533 -4.800 4.816 1.00 0.00 ATOM 359 C THR 42 0.963 -5.546 5.566 1.00 0.00 ATOM 360 N SER 43 1.319 -6.810 5.732 1.00 0.00 ATOM 361 CA SER 43 2.281 -7.412 4.846 1.00 0.00 ATOM 362 CB SER 43 3.584 -7.710 5.590 1.00 0.00 ATOM 363 OG SER 43 4.186 -6.517 6.062 1.00 0.00 ATOM 364 O SER 43 0.903 -9.361 5.172 1.00 0.00 ATOM 365 C SER 43 1.592 -8.686 4.375 1.00 0.00 ATOM 366 N PHE 44 1.727 -8.991 3.078 1.00 0.00 ATOM 367 CA PHE 44 1.220 -10.236 2.570 1.00 0.00 ATOM 368 CB PHE 44 0.621 -10.042 1.176 1.00 0.00 ATOM 369 CG PHE 44 0.073 -11.303 0.572 1.00 0.00 ATOM 370 CD1 PHE 44 -1.154 -11.804 0.969 1.00 0.00 ATOM 371 CD2 PHE 44 0.784 -11.990 -0.395 1.00 0.00 ATOM 372 CE1 PHE 44 -1.658 -12.964 0.414 1.00 0.00 ATOM 373 CE2 PHE 44 0.282 -13.150 -0.953 1.00 0.00 ATOM 374 CZ PHE 44 -0.934 -13.637 -0.552 1.00 0.00 ATOM 375 O PHE 44 3.545 -10.611 2.059 1.00 0.00 ATOM 376 C PHE 44 2.502 -11.072 2.573 1.00 0.00 ATOM 377 N ILE 45 2.446 -12.269 3.183 1.00 0.00 ATOM 378 CA ILE 45 3.607 -13.134 3.285 1.00 0.00 ATOM 379 CB ILE 45 3.912 -13.501 4.749 1.00 0.00 ATOM 380 CG1 ILE 45 4.220 -12.241 5.560 1.00 0.00 ATOM 381 CG2 ILE 45 5.112 -14.429 4.825 1.00 0.00 ATOM 382 CD1 ILE 45 4.289 -12.479 7.053 1.00 0.00 ATOM 383 O ILE 45 2.475 -15.132 2.621 1.00 0.00 ATOM 384 C ILE 45 3.514 -14.455 2.567 1.00 0.00 ATOM 385 N THR 46 4.608 -14.830 1.912 1.00 0.00 ATOM 386 CA THR 46 4.660 -16.138 1.265 1.00 0.00 ATOM 387 CB THR 46 5.797 -16.210 0.229 1.00 0.00 ATOM 388 CG2 THR 46 5.827 -17.579 -0.435 1.00 0.00 ATOM 389 OG1 THR 46 5.597 -15.211 -0.778 1.00 0.00 ATOM 390 O THR 46 5.950 -17.127 3.059 1.00 0.00 ATOM 391 C THR 46 4.900 -17.139 2.417 1.00 0.00 ATOM 392 N SER 47 3.906 -17.974 2.680 1.00 0.00 ATOM 393 CA SER 47 3.981 -18.946 3.741 1.00 0.00 ATOM 394 CB SER 47 2.701 -19.785 3.791 1.00 0.00 ATOM 395 OG SER 47 2.564 -20.577 2.625 1.00 0.00 ATOM 396 O SER 47 5.721 -20.417 4.534 1.00 0.00 ATOM 397 C SER 47 5.160 -19.918 3.565 1.00 0.00 ATOM 398 N GLU 48 5.526 -20.166 2.319 1.00 0.00 ATOM 399 CA GLU 48 6.600 -21.089 1.959 1.00 0.00 ATOM 400 CB GLU 48 6.894 -21.015 0.460 1.00 0.00 ATOM 401 CG GLU 48 5.795 -21.594 -0.417 1.00 0.00 ATOM 402 CD GLU 48 6.095 -21.456 -1.896 1.00 0.00 ATOM 403 OE1 GLU 48 7.140 -20.861 -2.237 1.00 0.00 ATOM 404 OE2 GLU 48 5.286 -21.941 -2.715 1.00 0.00 ATOM 405 O GLU 48 8.638 -21.816 2.979 1.00 0.00 ATOM 406 C GLU 48 7.945 -20.874 2.635 1.00 0.00 ATOM 407 N HIS 49 8.317 -19.612 2.783 1.00 0.00 ATOM 408 CA HIS 49 9.598 -19.244 3.340 1.00 0.00 ATOM 409 CB HIS 49 10.589 -18.904 2.226 1.00 0.00 ATOM 410 CG HIS 49 10.824 -20.023 1.262 1.00 0.00 ATOM 411 CD2 HIS 49 11.646 -21.224 1.244 1.00 0.00 ATOM 412 ND1 HIS 49 10.188 -20.101 0.041 1.00 0.00 ATOM 413 CE1 HIS 49 10.598 -21.212 -0.598 1.00 0.00 ATOM 414 NE2 HIS 49 11.473 -21.891 0.120 1.00 0.00 ATOM 415 O HIS 49 10.397 -17.369 4.554 1.00 0.00 ATOM 416 C HIS 49 9.425 -18.035 4.234 1.00 0.00 ATOM 417 N ASN 50 8.192 -17.766 4.641 1.00 0.00 ATOM 418 CA ASN 50 7.912 -16.583 5.445 1.00 0.00 ATOM 419 CB ASN 50 8.411 -16.778 6.878 1.00 0.00 ATOM 420 CG ASN 50 7.661 -17.873 7.611 1.00 0.00 ATOM 421 ND2 ASN 50 8.366 -18.948 7.949 1.00 0.00 ATOM 422 OD1 ASN 50 6.464 -17.754 7.870 1.00 0.00 ATOM 423 O ASN 50 9.256 -14.568 5.627 1.00 0.00 ATOM 424 C ASN 50 8.599 -15.307 4.883 1.00 0.00 ATOM 425 N SER 51 8.440 -15.054 3.576 1.00 0.00 ATOM 426 CA SER 51 9.033 -13.878 2.951 1.00 0.00 ATOM 427 CB SER 51 9.794 -14.269 1.684 1.00 0.00 ATOM 428 OG SER 51 10.901 -15.098 1.990 1.00 0.00 ATOM 429 O SER 51 6.880 -13.322 2.120 1.00 0.00 ATOM 430 C SER 51 7.933 -12.914 2.594 1.00 0.00 ATOM 431 N MET 52 8.183 -11.639 2.863 1.00 0.00 ATOM 432 CA MET 52 7.221 -10.569 2.616 1.00 0.00 ATOM 433 CB MET 52 7.699 -9.262 3.251 1.00 0.00 ATOM 434 CG MET 52 6.708 -8.116 3.131 1.00 0.00 ATOM 435 SD MET 52 7.302 -6.599 3.904 1.00 0.00 ATOM 436 CE MET 52 7.238 -7.052 5.635 1.00 0.00 ATOM 437 O MET 52 8.024 -10.076 0.443 1.00 0.00 ATOM 438 C MET 52 7.070 -10.369 1.128 1.00 0.00 ATOM 439 N THR 53 5.857 -10.584 0.629 1.00 0.00 ATOM 440 CA THR 53 5.621 -10.454 -0.798 1.00 0.00 ATOM 441 CB THR 53 4.611 -11.502 -1.303 1.00 0.00 ATOM 442 CG2 THR 53 5.118 -12.908 -1.026 1.00 0.00 ATOM 443 OG1 THR 53 3.357 -11.320 -0.634 1.00 0.00 ATOM 444 O THR 53 5.160 -8.670 -2.299 1.00 0.00 ATOM 445 C THR 53 5.061 -9.071 -1.154 1.00 0.00 ATOM 446 N GLY 54 4.533 -8.346 -0.158 1.00 0.00 ATOM 447 CA GLY 54 3.915 -7.045 -0.382 1.00 0.00 ATOM 448 O GLY 54 3.273 -7.034 1.904 1.00 0.00 ATOM 449 C GLY 54 3.486 -6.378 0.911 1.00 0.00 ATOM 450 N PHE 55 3.384 -5.056 0.895 1.00 0.00 ATOM 451 CA PHE 55 2.953 -4.316 2.063 1.00 0.00 ATOM 452 CB PHE 55 4.135 -3.867 2.936 1.00 0.00 ATOM 453 CG PHE 55 4.907 -2.657 2.428 1.00 0.00 ATOM 454 CD1 PHE 55 5.612 -2.703 1.229 1.00 0.00 ATOM 455 CD2 PHE 55 4.942 -1.477 3.176 1.00 0.00 ATOM 456 CE1 PHE 55 6.335 -1.595 0.779 1.00 0.00 ATOM 457 CE2 PHE 55 5.666 -0.359 2.738 1.00 0.00 ATOM 458 CZ PHE 55 6.362 -0.417 1.534 1.00 0.00 ATOM 459 O PHE 55 2.181 -2.731 0.425 1.00 0.00 ATOM 460 C PHE 55 2.075 -3.182 1.570 1.00 0.00 ATOM 461 N LEU 56 1.195 -2.748 2.446 1.00 0.00 ATOM 462 CA LEU 56 0.274 -1.668 2.168 1.00 0.00 ATOM 463 CB LEU 56 -0.861 -2.154 1.266 1.00 0.00 ATOM 464 CG LEU 56 -1.945 -1.128 0.926 1.00 0.00 ATOM 465 CD1 LEU 56 -1.359 0.031 0.135 1.00 0.00 ATOM 466 CD2 LEU 56 -3.045 -1.763 0.091 1.00 0.00 ATOM 467 O LEU 56 -0.241 -2.024 4.464 1.00 0.00 ATOM 468 C LEU 56 -0.254 -1.234 3.532 1.00 0.00 ATOM 469 N ILE 57 -0.704 0.013 3.663 1.00 0.00 ATOM 470 CA ILE 57 -1.238 0.531 4.937 1.00 0.00 ATOM 471 CB ILE 57 -0.242 1.509 5.632 1.00 0.00 ATOM 472 CG1 ILE 57 -0.047 2.796 4.819 1.00 0.00 ATOM 473 CG2 ILE 57 1.082 0.831 5.757 1.00 0.00 ATOM 474 CD1 ILE 57 0.824 3.826 5.569 1.00 0.00 ATOM 475 O ILE 57 -2.840 1.731 3.579 1.00 0.00 ATOM 476 C ILE 57 -2.560 1.262 4.691 1.00 0.00 ATOM 477 N GLY 58 -3.408 1.320 5.705 1.00 0.00 ATOM 478 CA GLY 58 -4.606 2.119 5.570 1.00 0.00 ATOM 479 O GLY 58 -4.712 2.242 7.955 1.00 0.00 ATOM 480 C GLY 58 -4.716 2.840 6.893 1.00 0.00 ATOM 481 N PHE 59 -4.720 4.156 6.805 1.00 0.00 ATOM 482 CA PHE 59 -4.785 5.020 7.930 1.00 0.00 ATOM 483 CB PHE 59 -3.876 6.234 7.727 1.00 0.00 ATOM 484 CG PHE 59 -3.894 7.203 8.875 1.00 0.00 ATOM 485 CD1 PHE 59 -3.189 6.938 10.036 1.00 0.00 ATOM 486 CD2 PHE 59 -4.616 8.381 8.794 1.00 0.00 ATOM 487 CE1 PHE 59 -3.206 7.828 11.091 1.00 0.00 ATOM 488 CE2 PHE 59 -4.633 9.271 9.848 1.00 0.00 ATOM 489 CZ PHE 59 -3.932 9.002 10.995 1.00 0.00 ATOM 490 O PHE 59 -6.867 5.923 7.170 1.00 0.00 ATOM 491 C PHE 59 -6.204 5.505 8.126 1.00 0.00 ATOM 492 N GLN 60 -6.672 5.459 9.362 1.00 0.00 ATOM 493 CA GLN 60 -8.031 5.872 9.677 1.00 0.00 ATOM 494 CB GLN 60 -8.843 4.684 10.198 1.00 0.00 ATOM 495 CG GLN 60 -10.284 5.021 10.547 1.00 0.00 ATOM 496 CD GLN 60 -11.075 3.809 10.996 1.00 0.00 ATOM 497 OE1 GLN 60 -10.544 2.701 11.064 1.00 0.00 ATOM 498 NE2 GLN 60 -12.350 4.017 11.303 1.00 0.00 ATOM 499 O GLN 60 -7.488 6.749 11.836 1.00 0.00 ATOM 500 C GLN 60 -8.025 6.953 10.743 1.00 0.00 ATOM 501 N SER 61 -8.613 8.101 10.412 1.00 0.00 ATOM 502 CA SER 61 -8.693 9.240 11.331 1.00 0.00 ATOM 503 CB SER 61 -8.642 10.558 10.556 1.00 0.00 ATOM 504 OG SER 61 -7.396 10.716 9.900 1.00 0.00 ATOM 505 O SER 61 -11.048 8.875 11.600 1.00 0.00 ATOM 506 C SER 61 -9.990 9.211 12.132 1.00 0.00 ATOM 507 N GLN 62 -9.893 9.579 13.406 1.00 0.00 ATOM 508 CA GLN 62 -11.053 9.600 14.296 1.00 0.00 ATOM 509 CB GLN 62 -10.608 9.741 15.754 1.00 0.00 ATOM 510 CG GLN 62 -9.836 8.544 16.284 1.00 0.00 ATOM 511 CD GLN 62 -9.356 8.747 17.708 1.00 0.00 ATOM 512 OE1 GLN 62 -9.576 9.802 18.303 1.00 0.00 ATOM 513 NE2 GLN 62 -8.695 7.736 18.258 1.00 0.00 ATOM 514 O GLN 62 -13.144 10.780 14.408 1.00 0.00 ATOM 515 C GLN 62 -11.992 10.767 13.978 1.00 0.00 ATOM 516 N SER 63 -11.516 11.762 13.229 1.00 0.00 ATOM 517 CA SER 63 -12.303 12.935 12.874 1.00 0.00 ATOM 518 CB SER 63 -11.542 13.805 11.870 1.00 0.00 ATOM 519 OG SER 63 -12.301 14.947 11.508 1.00 0.00 ATOM 520 O SER 63 -14.760 13.108 12.725 1.00 0.00 ATOM 521 C SER 63 -13.689 12.710 12.217 1.00 0.00 ATOM 522 N ASP 64 -13.658 11.968 11.125 1.00 0.00 ATOM 523 CA ASP 64 -14.868 11.726 10.348 1.00 0.00 ATOM 524 CB ASP 64 -14.588 11.905 8.853 1.00 0.00 ATOM 525 CG ASP 64 -14.200 13.327 8.499 1.00 0.00 ATOM 526 OD1 ASP 64 -15.043 14.231 8.669 1.00 0.00 ATOM 527 OD2 ASP 64 -13.053 13.537 8.051 1.00 0.00 ATOM 528 O ASP 64 -14.671 9.356 10.749 1.00 0.00 ATOM 529 C ASP 64 -15.436 10.305 10.534 1.00 0.00 ATOM 530 N PRO 65 -17.474 10.710 9.451 1.00 0.00 ATOM 531 CA PRO 65 -18.129 9.402 9.231 1.00 0.00 ATOM 532 CB PRO 65 -19.286 9.722 8.281 1.00 0.00 ATOM 533 CG PRO 65 -18.797 10.877 7.475 1.00 0.00 ATOM 534 CD PRO 65 -18.079 11.783 8.436 1.00 0.00 ATOM 535 O PRO 65 -16.236 8.848 7.845 1.00 0.00 ATOM 536 C PRO 65 -17.126 8.444 8.616 1.00 0.00 ATOM 537 N GLU 66 -15.770 8.419 9.555 1.00 0.00 ATOM 538 CA GLU 66 -14.440 7.876 9.423 1.00 0.00 ATOM 539 CB GLU 66 -14.338 6.506 10.081 1.00 0.00 ATOM 540 CG GLU 66 -13.237 6.443 11.111 1.00 0.00 ATOM 541 CD GLU 66 -13.651 7.048 12.428 1.00 0.00 ATOM 542 OE1 GLU 66 -14.318 6.336 13.206 1.00 0.00 ATOM 543 OE2 GLU 66 -13.331 8.232 12.683 1.00 0.00 ATOM 544 O GLU 66 -14.864 7.452 7.074 1.00 0.00 ATOM 545 C GLU 66 -14.063 7.840 7.936 1.00 0.00 ATOM 546 N THR 67 -12.839 8.255 7.636 1.00 0.00 ATOM 547 CA THR 67 -12.384 8.176 6.273 1.00 0.00 ATOM 548 CB THR 67 -12.155 9.576 5.672 1.00 0.00 ATOM 549 CG2 THR 67 -11.680 9.464 4.232 1.00 0.00 ATOM 550 OG1 THR 67 -13.381 10.317 5.701 1.00 0.00 ATOM 551 O THR 67 -10.150 7.720 7.055 1.00 0.00 ATOM 552 C THR 67 -11.071 7.399 6.289 1.00 0.00 ATOM 553 N ALA 68 -10.988 6.393 5.451 1.00 0.00 ATOM 554 CA ALA 68 -9.760 5.618 5.353 1.00 0.00 ATOM 555 CB ALA 68 -10.073 4.171 5.000 1.00 0.00 ATOM 556 O ALA 68 -9.237 6.729 3.245 1.00 0.00 ATOM 557 C ALA 68 -8.807 6.171 4.264 1.00 0.00 ATOM 558 N TYR 69 -7.510 6.036 4.483 1.00 0.00 ATOM 559 CA TYR 69 -6.543 6.535 3.535 1.00 0.00 ATOM 560 CB TYR 69 -5.794 7.736 4.114 1.00 0.00 ATOM 561 CG TYR 69 -6.685 8.915 4.436 1.00 0.00 ATOM 562 CD1 TYR 69 -7.138 9.133 5.732 1.00 0.00 ATOM 563 CD2 TYR 69 -7.071 9.808 3.444 1.00 0.00 ATOM 564 CE1 TYR 69 -7.952 10.207 6.034 1.00 0.00 ATOM 565 CE2 TYR 69 -7.884 10.887 3.728 1.00 0.00 ATOM 566 CZ TYR 69 -8.324 11.082 5.035 1.00 0.00 ATOM 567 OH TYR 69 -9.135 12.153 5.336 1.00 0.00 ATOM 568 O TYR 69 -4.733 5.035 4.064 1.00 0.00 ATOM 569 C TYR 69 -5.550 5.407 3.232 1.00 0.00 ATOM 570 N ILE 70 -5.621 4.859 2.037 1.00 0.00 ATOM 571 CA ILE 70 -4.672 3.809 1.683 1.00 0.00 ATOM 572 CB ILE 70 -5.186 2.959 0.504 1.00 0.00 ATOM 573 CG1 ILE 70 -6.496 2.264 0.881 1.00 0.00 ATOM 574 CG2 ILE 70 -4.164 1.896 0.131 1.00 0.00 ATOM 575 CD1 ILE 70 -7.196 1.609 -0.291 1.00 0.00 ATOM 576 O ILE 70 -3.311 5.284 0.424 1.00 0.00 ATOM 577 C ILE 70 -3.338 4.434 1.280 1.00 0.00 ATOM 578 N HIS 71 -2.252 4.026 1.925 1.00 0.00 ATOM 579 CA HIS 71 -0.922 4.583 1.681 1.00 0.00 ATOM 580 CB HIS 71 -0.465 5.424 2.874 1.00 0.00 ATOM 581 CG HIS 71 -1.330 6.617 3.138 1.00 0.00 ATOM 582 CD2 HIS 71 -1.463 7.584 4.218 1.00 0.00 ATOM 583 ND1 HIS 71 -2.292 7.050 2.251 1.00 0.00 ATOM 584 CE1 HIS 71 -2.901 8.135 2.762 1.00 0.00 ATOM 585 NE2 HIS 71 -2.410 8.460 3.942 1.00 0.00 ATOM 586 O HIS 71 -0.074 2.344 1.846 1.00 0.00 ATOM 587 C HIS 71 0.131 3.502 1.457 1.00 0.00 ATOM 588 N PHE 72 1.266 3.905 0.868 1.00 0.00 ATOM 589 CA PHE 72 2.430 3.042 0.662 1.00 0.00 ATOM 590 CB PHE 72 3.195 2.851 1.974 1.00 0.00 ATOM 591 CG PHE 72 3.751 4.125 2.541 1.00 0.00 ATOM 592 CD1 PHE 72 3.078 4.806 3.540 1.00 0.00 ATOM 593 CD2 PHE 72 4.948 4.643 2.076 1.00 0.00 ATOM 594 CE1 PHE 72 3.590 5.980 4.063 1.00 0.00 ATOM 595 CE2 PHE 72 5.459 5.816 2.599 1.00 0.00 ATOM 596 CZ PHE 72 4.786 6.482 3.587 1.00 0.00 ATOM 597 O PHE 72 2.661 0.639 0.798 1.00 0.00 ATOM 598 C PHE 72 2.255 1.619 0.156 1.00 0.00 ATOM 599 N SER 73 1.654 1.509 -1.018 1.00 0.00 ATOM 600 CA SER 73 1.422 0.214 -1.595 1.00 0.00 ATOM 601 CB SER 73 0.264 0.273 -2.595 1.00 0.00 ATOM 602 OG SER 73 0.090 -0.972 -3.247 1.00 0.00 ATOM 603 O SER 73 3.091 0.387 -3.177 1.00 0.00 ATOM 604 C SER 73 2.620 -0.281 -2.312 1.00 0.00 ATOM 605 N GLY 74 3.115 -1.461 -1.982 1.00 0.00 ATOM 606 CA GLY 74 4.284 -1.950 -2.701 1.00 0.00 ATOM 607 O GLY 74 4.120 -4.177 -1.762 1.00 0.00 ATOM 608 C GLY 74 4.256 -3.466 -2.782 1.00 0.00 ATOM 609 N VAL 75 4.343 -3.954 -4.007 1.00 0.00 ATOM 610 CA VAL 75 4.408 -5.366 -4.250 1.00 0.00 ATOM 611 CB VAL 75 3.586 -5.761 -5.490 1.00 0.00 ATOM 612 CG1 VAL 75 3.720 -7.252 -5.763 1.00 0.00 ATOM 613 CG2 VAL 75 2.114 -5.441 -5.279 1.00 0.00 ATOM 614 O VAL 75 6.586 -4.970 -5.214 1.00 0.00 ATOM 615 C VAL 75 5.899 -5.657 -4.465 1.00 0.00 ATOM 616 N HIS 76 6.417 -6.660 -3.772 1.00 0.00 ATOM 617 CA HIS 76 7.835 -6.978 -3.876 1.00 0.00 ATOM 618 CB HIS 76 8.198 -8.120 -2.925 1.00 0.00 ATOM 619 CG HIS 76 9.665 -8.413 -2.865 1.00 0.00 ATOM 620 CD2 HIS 76 10.557 -9.381 -3.487 1.00 0.00 ATOM 621 ND1 HIS 76 10.536 -7.688 -2.081 1.00 0.00 ATOM 622 CE1 HIS 76 11.778 -8.183 -2.235 1.00 0.00 ATOM 623 NE2 HIS 76 11.798 -9.198 -3.077 1.00 0.00 ATOM 624 O HIS 76 7.322 -7.973 -5.988 1.00 0.00 ATOM 625 C HIS 76 8.161 -7.397 -5.292 1.00 0.00 ATOM 626 N PRO 77 9.374 -7.093 -5.725 1.00 0.00 ATOM 627 CA PRO 77 9.791 -7.382 -7.095 1.00 0.00 ATOM 628 CB PRO 77 11.256 -6.943 -7.137 1.00 0.00 ATOM 629 CG PRO 77 11.357 -5.879 -6.096 1.00 0.00 ATOM 630 CD PRO 77 10.467 -6.318 -4.966 1.00 0.00 ATOM 631 O PRO 77 9.345 -9.084 -8.724 1.00 0.00 ATOM 632 C PRO 77 9.704 -8.829 -7.568 1.00 0.00 ATOM 633 N ASP 78 10.024 -9.781 -6.702 1.00 0.00 ATOM 634 CA ASP 78 9.949 -11.184 -7.135 1.00 0.00 ATOM 635 CB ASP 78 10.821 -12.068 -6.239 1.00 0.00 ATOM 636 CG ASP 78 12.303 -11.820 -6.440 1.00 0.00 ATOM 637 OD1 ASP 78 13.090 -12.775 -6.290 1.00 0.00 ATOM 638 OD2 ASP 78 12.675 -10.666 -6.744 1.00 0.00 ATOM 639 O ASP 78 8.260 -12.887 -7.380 1.00 0.00 ATOM 640 C ASP 78 8.516 -11.716 -7.069 1.00 0.00 ATOM 641 N PHE 79 7.585 -10.857 -6.664 1.00 0.00 ATOM 642 CA PHE 79 6.227 -11.301 -6.499 1.00 0.00 ATOM 643 CB PHE 79 5.757 -11.071 -5.061 1.00 0.00 ATOM 644 CG PHE 79 6.557 -11.823 -4.036 1.00 0.00 ATOM 645 CD1 PHE 79 7.577 -11.198 -3.339 1.00 0.00 ATOM 646 CD2 PHE 79 6.288 -13.154 -3.769 1.00 0.00 ATOM 647 CE1 PHE 79 8.311 -11.890 -2.395 1.00 0.00 ATOM 648 CE2 PHE 79 7.024 -13.845 -2.825 1.00 0.00 ATOM 649 CZ PHE 79 8.032 -13.219 -2.139 1.00 0.00 ATOM 650 O PHE 79 4.070 -10.766 -7.289 1.00 0.00 ATOM 651 C PHE 79 5.269 -10.593 -7.390 1.00 0.00 ATOM 652 N ARG 80 5.799 -9.785 -8.284 1.00 0.00 ATOM 653 CA ARG 80 4.939 -9.036 -9.176 1.00 0.00 ATOM 654 CB ARG 80 5.159 -8.058 -9.923 1.00 0.00 ATOM 655 CG ARG 80 4.510 -6.906 -9.157 1.00 0.00 ATOM 656 CD ARG 80 4.499 -5.605 -10.002 1.00 0.00 ATOM 657 NE ARG 80 5.780 -4.894 -9.954 1.00 0.00 ATOM 658 CZ ARG 80 6.103 -3.844 -9.174 1.00 0.00 ATOM 659 NH1 ARG 80 5.252 -3.259 -8.353 1.00 0.00 ATOM 660 NH2 ARG 80 7.371 -3.444 -9.234 1.00 0.00 ATOM 661 O ARG 80 4.630 -11.093 -10.313 1.00 0.00 ATOM 662 C ARG 80 4.214 -9.956 -10.093 1.00 0.00 ATOM 663 N LYS 81 3.121 -9.436 -10.621 1.00 0.00 ATOM 664 CA LYS 81 2.279 -10.168 -11.538 1.00 0.00 ATOM 665 CB LYS 81 3.098 -10.680 -12.724 1.00 0.00 ATOM 666 CG LYS 81 3.755 -9.583 -13.544 1.00 0.00 ATOM 667 CD LYS 81 4.538 -10.162 -14.712 1.00 0.00 ATOM 668 CE LYS 81 5.196 -9.064 -15.534 1.00 0.00 ATOM 669 NZ LYS 81 5.979 -9.617 -16.673 1.00 0.00 ATOM 670 O LYS 81 1.092 -12.158 -11.808 1.00 0.00 ATOM 671 C LYS 81 1.567 -11.391 -11.005 1.00 0.00 ATOM 672 N MET 82 1.485 -11.615 -9.698 1.00 0.00 ATOM 673 CA MET 82 0.794 -12.778 -9.193 1.00 0.00 ATOM 674 CB MET 82 1.506 -13.254 -7.943 1.00 0.00 ATOM 675 CG MET 82 2.955 -13.576 -8.254 1.00 0.00 ATOM 676 SD MET 82 3.602 -14.533 -6.998 1.00 0.00 ATOM 677 CE MET 82 2.787 -16.087 -7.314 1.00 0.00 ATOM 678 O MET 82 -1.204 -11.545 -8.748 1.00 0.00 ATOM 679 C MET 82 -0.695 -12.641 -8.965 1.00 0.00 ATOM 680 N GLN 83 -1.891 -11.112 -8.886 1.00 0.00 ATOM 681 CA GLN 83 -2.991 -10.654 -8.065 1.00 0.00 ATOM 682 CB GLN 83 -4.051 -11.749 -7.929 1.00 0.00 ATOM 683 CG GLN 83 -4.735 -12.117 -9.233 1.00 0.00 ATOM 684 CD GLN 83 -5.728 -13.252 -9.072 1.00 0.00 ATOM 685 OE1 GLN 83 -5.897 -13.790 -7.977 1.00 0.00 ATOM 686 NE2 GLN 83 -6.390 -13.618 -10.163 1.00 0.00 ATOM 687 O GLN 83 -3.465 -9.965 -5.867 1.00 0.00 ATOM 688 C GLN 83 -2.604 -10.261 -6.662 1.00 0.00 ATOM 689 N ILE 84 -1.310 -10.265 -6.345 1.00 0.00 ATOM 690 CA ILE 84 -0.888 -9.932 -4.999 1.00 0.00 ATOM 691 CB ILE 84 0.644 -10.028 -4.870 1.00 0.00 ATOM 692 CG1 ILE 84 1.139 -11.450 -5.043 1.00 0.00 ATOM 693 CG2 ILE 84 1.112 -9.428 -3.554 1.00 0.00 ATOM 694 CD1 ILE 84 2.612 -11.658 -5.208 1.00 0.00 ATOM 695 O ILE 84 -1.840 -8.281 -3.525 1.00 0.00 ATOM 696 C ILE 84 -1.382 -8.555 -4.615 1.00 0.00 ATOM 697 N GLY 85 -1.251 -7.626 -5.569 1.00 0.00 ATOM 698 CA GLY 85 -1.674 -6.227 -5.252 1.00 0.00 ATOM 699 O GLY 85 -3.694 -5.542 -4.128 1.00 0.00 ATOM 700 C GLY 85 -3.164 -6.149 -5.074 1.00 0.00 ATOM 701 N LYS 86 -3.964 -6.765 -5.946 1.00 0.00 ATOM 702 CA LYS 86 -5.419 -6.720 -5.780 1.00 0.00 ATOM 703 CB LYS 86 -5.999 -8.085 -6.514 1.00 0.00 ATOM 704 CG LYS 86 -7.345 -8.095 -7.231 1.00 0.00 ATOM 705 CD LYS 86 -7.582 -9.436 -7.910 1.00 0.00 ATOM 706 CE LYS 86 -8.884 -9.453 -8.663 1.00 0.00 ATOM 707 NZ LYS 86 -9.309 -10.826 -9.008 1.00 0.00 ATOM 708 O LYS 86 -6.827 -6.793 -3.803 1.00 0.00 ATOM 709 C LYS 86 -5.897 -7.286 -4.477 1.00 0.00 ATOM 710 N GLN 87 -5.301 -8.387 -4.051 1.00 0.00 ATOM 711 CA GLN 87 -5.658 -9.093 -2.812 1.00 0.00 ATOM 712 CB GLN 87 -5.037 -10.483 -2.706 1.00 0.00 ATOM 713 CG GLN 87 -5.712 -11.483 -3.620 1.00 0.00 ATOM 714 CD GLN 87 -4.839 -12.669 -3.919 1.00 0.00 ATOM 715 OE1 GLN 87 -3.676 -12.780 -3.512 1.00 0.00 ATOM 716 NE2 GLN 87 -5.422 -13.628 -4.644 1.00 0.00 ATOM 717 O GLN 87 -6.006 -8.395 -0.571 1.00 0.00 ATOM 718 C GLN 87 -5.258 -8.300 -1.559 1.00 0.00 ATOM 719 N LEU 88 -4.149 -7.601 -1.627 1.00 0.00 ATOM 720 CA LEU 88 -3.677 -6.750 -0.533 1.00 0.00 ATOM 721 CB LEU 88 -2.376 -6.013 -0.792 1.00 0.00 ATOM 722 CG LEU 88 -1.166 -6.900 -1.098 1.00 0.00 ATOM 723 CD1 LEU 88 0.077 -6.013 -1.333 1.00 0.00 ATOM 724 CD2 LEU 88 -0.892 -7.833 0.073 1.00 0.00 ATOM 725 O LEU 88 -5.037 -5.272 0.758 1.00 0.00 ATOM 726 C LEU 88 -4.684 -5.622 -0.357 1.00 0.00 ATOM 727 N TYR 89 -5.209 -4.784 -1.483 1.00 0.00 ATOM 728 CA TYR 89 -6.173 -3.703 -1.444 1.00 0.00 ATOM 729 CB TYR 89 -6.393 -3.129 -2.845 1.00 0.00 ATOM 730 CG TYR 89 -5.252 -2.269 -3.340 1.00 0.00 ATOM 731 CD1 TYR 89 -4.282 -2.791 -4.186 1.00 0.00 ATOM 732 CD2 TYR 89 -5.149 -0.938 -2.961 1.00 0.00 ATOM 733 CE1 TYR 89 -3.237 -2.014 -4.645 1.00 0.00 ATOM 734 CE2 TYR 89 -4.110 -0.143 -3.409 1.00 0.00 ATOM 735 CZ TYR 89 -3.150 -0.694 -4.257 1.00 0.00 ATOM 736 OH TYR 89 -2.109 0.084 -4.711 1.00 0.00 ATOM 737 O TYR 89 -8.072 -3.696 0.021 1.00 0.00 ATOM 738 C TYR 89 -7.489 -4.260 -0.905 1.00 0.00 ATOM 739 N ASP 90 -7.948 -5.372 -1.447 1.00 0.00 ATOM 740 CA ASP 90 -9.209 -5.942 -0.978 1.00 0.00 ATOM 741 CB ASP 90 -9.454 -7.306 -1.627 1.00 0.00 ATOM 742 CG ASP 90 -9.802 -7.199 -3.097 1.00 0.00 ATOM 743 OD1 ASP 90 -10.169 -8.229 -3.698 1.00 0.00 ATOM 744 OD2 ASP 90 -9.710 -6.082 -3.649 1.00 0.00 ATOM 745 O ASP 90 -10.217 -5.853 1.146 1.00 0.00 ATOM 746 C ASP 90 -9.220 -6.135 0.492 1.00 0.00 ATOM 747 N VAL 91 -8.117 -6.628 1.039 1.00 0.00 ATOM 748 CA VAL 91 -8.006 -6.807 2.485 1.00 0.00 ATOM 749 CB VAL 91 -6.655 -7.454 2.864 1.00 0.00 ATOM 750 CG1 VAL 91 -6.502 -7.509 4.378 1.00 0.00 ATOM 751 CG2 VAL 91 -6.573 -8.863 2.278 1.00 0.00 ATOM 752 O VAL 91 -8.839 -5.332 4.193 1.00 0.00 ATOM 753 C VAL 91 -8.142 -5.455 3.184 1.00 0.00 ATOM 754 N PHE 92 -7.485 -4.450 2.636 1.00 0.00 ATOM 755 CA PHE 92 -7.534 -3.081 3.196 1.00 0.00 ATOM 756 CB PHE 92 -6.469 -2.191 2.553 1.00 0.00 ATOM 757 CG PHE 92 -6.474 -0.759 3.027 1.00 0.00 ATOM 758 CD1 PHE 92 -6.119 -0.471 4.357 1.00 0.00 ATOM 759 CD2 PHE 92 -6.894 0.267 2.179 1.00 0.00 ATOM 760 CE1 PHE 92 -6.110 0.826 4.826 1.00 0.00 ATOM 761 CE2 PHE 92 -6.884 1.602 2.651 1.00 0.00 ATOM 762 CZ PHE 92 -6.471 1.868 3.980 1.00 0.00 ATOM 763 O PHE 92 -9.510 -2.026 4.121 1.00 0.00 ATOM 764 C PHE 92 -8.951 -2.528 3.117 1.00 0.00 ATOM 765 N ILE 93 -9.568 -2.617 1.945 1.00 0.00 ATOM 766 CA ILE 93 -10.935 -2.142 1.766 1.00 0.00 ATOM 767 CB ILE 93 -11.448 -2.919 0.339 1.00 0.00 ATOM 768 CG1 ILE 93 -10.339 -3.060 -0.739 1.00 0.00 ATOM 769 CG2 ILE 93 -12.739 -2.375 -0.347 1.00 0.00 ATOM 770 CD1 ILE 93 -10.004 -1.764 -1.508 1.00 0.00 ATOM 771 O ILE 93 -12.787 -2.416 3.272 1.00 0.00 ATOM 772 C ILE 93 -11.911 -2.970 2.608 1.00 0.00 ATOM 773 N GLU 94 -11.741 -4.290 2.620 1.00 0.00 ATOM 774 CA GLU 94 -12.619 -5.139 3.430 1.00 0.00 ATOM 775 CB GLU 94 -12.289 -6.618 3.236 1.00 0.00 ATOM 776 CG GLU 94 -12.679 -7.148 1.862 1.00 0.00 ATOM 777 CD GLU 94 -12.345 -8.615 1.690 1.00 0.00 ATOM 778 OE1 GLU 94 -11.530 -9.145 2.471 1.00 0.00 ATOM 779 OE2 GLU 94 -12.898 -9.239 0.767 1.00 0.00 ATOM 780 O GLU 94 -13.498 -4.703 5.621 1.00 0.00 ATOM 781 C GLU 94 -12.495 -4.792 4.916 1.00 0.00 ATOM 782 N THR 95 -11.262 -4.611 5.393 1.00 0.00 ATOM 783 CA THR 95 -11.037 -4.274 6.790 1.00 0.00 ATOM 784 CB THR 95 -9.538 -4.324 7.149 1.00 0.00 ATOM 785 CG2 THR 95 -9.327 -3.933 8.603 1.00 0.00 ATOM 786 OG1 THR 95 -9.040 -5.652 6.947 1.00 0.00 ATOM 787 O THR 95 -12.166 -2.646 8.153 1.00 0.00 ATOM 788 C THR 95 -11.537 -2.870 7.115 1.00 0.00 ATOM 789 N VAL 96 -11.266 -1.918 6.230 1.00 0.00 ATOM 790 CA VAL 96 -11.715 -0.558 6.457 1.00 0.00 ATOM 791 CB VAL 96 -11.249 0.386 5.333 1.00 0.00 ATOM 792 CG1 VAL 96 -11.901 1.752 5.480 1.00 0.00 ATOM 793 CG2 VAL 96 -9.740 0.565 5.378 1.00 0.00 ATOM 794 O VAL 96 -13.749 0.127 7.468 1.00 0.00 ATOM 795 C VAL 96 -13.216 -0.450 6.524 1.00 0.00 ATOM 796 N LYS 97 -13.912 -1.007 5.541 1.00 0.00 ATOM 797 CA LYS 97 -15.368 -0.952 5.510 1.00 0.00 ATOM 798 CB LYS 97 -15.910 -1.706 4.291 1.00 0.00 ATOM 799 CG LYS 97 -17.431 -1.681 4.180 1.00 0.00 ATOM 800 CD LYS 97 -17.958 -2.819 3.314 1.00 0.00 ATOM 801 CE LYS 97 -17.525 -2.680 1.867 1.00 0.00 ATOM 802 NZ LYS 97 -18.140 -1.484 1.235 1.00 0.00 ATOM 803 O LYS 97 -16.807 -1.031 7.429 1.00 0.00 ATOM 804 C LYS 97 -15.917 -1.585 6.783 1.00 0.00 ATOM 805 N GLN 98 -15.384 -2.750 7.140 1.00 0.00 ATOM 806 CA GLN 98 -15.824 -3.449 8.342 1.00 0.00 ATOM 807 CB GLN 98 -15.090 -4.784 8.484 1.00 0.00 ATOM 808 CG GLN 98 -15.546 -5.842 7.493 1.00 0.00 ATOM 809 CD GLN 98 -17.047 -6.078 7.548 1.00 0.00 ATOM 810 OE1 GLN 98 -17.603 -6.385 8.605 1.00 0.00 ATOM 811 NE2 GLN 98 -17.710 -5.935 6.405 1.00 0.00 ATOM 812 O GLN 98 -16.497 -2.522 10.451 1.00 0.00 ATOM 813 C GLN 98 -15.613 -2.608 9.598 1.00 0.00 ATOM 814 N ARG 99 -14.442 -1.993 9.716 1.00 0.00 ATOM 815 CA ARG 99 -14.146 -1.157 10.875 1.00 0.00 ATOM 816 CB ARG 99 -12.722 -0.604 10.780 1.00 0.00 ATOM 817 CG ARG 99 -12.342 0.354 11.904 1.00 0.00 ATOM 818 CD ARG 99 -12.612 -0.241 13.278 1.00 0.00 ATOM 819 NE ARG 99 -12.125 0.637 14.340 1.00 0.00 ATOM 820 CZ ARG 99 -12.348 0.448 15.635 1.00 0.00 ATOM 821 NH1 ARG 99 -13.059 -0.593 16.046 1.00 0.00 ATOM 822 NH2 ARG 99 -11.855 1.302 16.523 1.00 0.00 ATOM 823 O ARG 99 -15.747 0.241 11.997 1.00 0.00 ATOM 824 C ARG 99 -15.154 -0.015 10.947 1.00 0.00 ATOM 825 N GLY 100 -16.732 0.408 9.362 1.00 0.00 ATOM 826 CA GLY 100 -17.806 1.355 9.153 1.00 0.00 ATOM 827 O GLY 100 -18.122 3.560 8.368 1.00 0.00 ATOM 828 C GLY 100 -17.415 2.589 8.338 1.00 0.00 ATOM 829 N CYS 101 -16.292 2.572 7.632 1.00 0.00 ATOM 830 CA CYS 101 -15.925 3.717 6.820 1.00 0.00 ATOM 831 CB CYS 101 -14.565 3.491 6.157 1.00 0.00 ATOM 832 SG CYS 101 -13.173 3.433 7.307 1.00 0.00 ATOM 833 O CYS 101 -17.505 2.927 5.200 1.00 0.00 ATOM 834 C CYS 101 -16.996 3.902 5.749 1.00 0.00 ATOM 835 N THR 102 -17.356 5.152 5.483 1.00 0.00 ATOM 836 CA THR 102 -18.327 5.462 4.471 1.00 0.00 ATOM 837 CB THR 102 -19.065 6.778 4.780 1.00 0.00 ATOM 838 CG2 THR 102 -19.750 6.700 6.134 1.00 0.00 ATOM 839 OG1 THR 102 -18.126 7.864 4.797 1.00 0.00 ATOM 840 O THR 102 -18.077 5.611 2.088 1.00 0.00 ATOM 841 C THR 102 -17.525 5.584 3.168 1.00 0.00 ATOM 842 N ARG 103 -16.208 5.688 3.290 1.00 0.00 ATOM 843 CA ARG 103 -15.341 5.711 2.117 1.00 0.00 ATOM 844 CB ARG 103 -15.419 7.069 1.418 1.00 0.00 ATOM 845 CG ARG 103 -14.941 8.234 2.270 1.00 0.00 ATOM 846 CD ARG 103 -15.087 9.556 1.533 1.00 0.00 ATOM 847 NE ARG 103 -14.658 10.688 2.349 1.00 0.00 ATOM 848 CZ ARG 103 -14.675 11.952 1.940 1.00 0.00 ATOM 849 NH1 ARG 103 -14.265 12.918 2.751 1.00 0.00 ATOM 850 NH2 ARG 103 -15.101 12.248 0.719 1.00 0.00 ATOM 851 O ARG 103 -13.486 5.653 3.653 1.00 0.00 ATOM 852 C ARG 103 -13.893 5.462 2.501 1.00 0.00 ATOM 853 N VAL 104 -13.126 5.035 1.503 1.00 0.00 ATOM 854 CA VAL 104 -11.725 4.789 1.679 1.00 0.00 ATOM 855 CB VAL 104 -11.413 3.281 1.688 1.00 0.00 ATOM 856 CG1 VAL 104 -11.882 2.634 0.393 1.00 0.00 ATOM 857 CG2 VAL 104 -9.918 3.045 1.829 1.00 0.00 ATOM 858 O VAL 104 -11.424 5.313 -0.651 1.00 0.00 ATOM 859 C VAL 104 -11.029 5.459 0.515 1.00 0.00 ATOM 860 N LYS 105 -10.007 6.233 0.827 1.00 0.00 ATOM 861 CA LYS 105 -9.269 6.931 -0.197 1.00 0.00 ATOM 862 CB LYS 105 -9.434 8.445 -0.041 1.00 0.00 ATOM 863 CG LYS 105 -8.976 8.982 1.305 1.00 0.00 ATOM 864 CD LYS 105 -9.187 10.485 1.397 1.00 0.00 ATOM 865 CE LYS 105 -8.726 11.025 2.742 1.00 0.00 ATOM 866 NZ LYS 105 -8.935 12.496 2.852 1.00 0.00 ATOM 867 O LYS 105 -7.264 6.111 0.901 1.00 0.00 ATOM 868 C LYS 105 -7.772 6.610 -0.123 1.00 0.00 ATOM 869 N CYS 106 -7.114 6.915 -1.242 1.00 0.00 ATOM 870 CA CYS 106 -5.667 6.702 -1.324 1.00 0.00 ATOM 871 CB CYS 106 -5.507 5.265 -1.787 1.00 0.00 ATOM 872 SG CYS 106 -3.764 4.848 -1.948 1.00 0.00 ATOM 873 O CYS 106 -5.782 7.957 -3.369 1.00 0.00 ATOM 874 C CYS 106 -5.066 7.453 -2.484 1.00 0.00 ATOM 875 N VAL 107 -3.739 7.536 -2.454 1.00 0.00 ATOM 876 CA VAL 107 -2.970 8.024 -3.608 1.00 0.00 ATOM 877 CB VAL 107 -2.177 9.297 -3.327 1.00 0.00 ATOM 878 CG1 VAL 107 -1.307 9.676 -4.558 1.00 0.00 ATOM 879 CG2 VAL 107 -3.157 10.444 -3.020 1.00 0.00 ATOM 880 O VAL 107 -1.308 6.404 -2.946 1.00 0.00 ATOM 881 C VAL 107 -1.987 6.879 -3.880 1.00 0.00 ATOM 882 N THR 108 -2.396 8.084 -5.763 1.00 0.00 ATOM 883 CA THR 108 -1.503 7.358 -6.662 1.00 0.00 ATOM 884 CB THR 108 -2.291 6.543 -7.705 1.00 0.00 ATOM 885 CG2 THR 108 -1.339 5.810 -8.636 1.00 0.00 ATOM 886 OG1 THR 108 -3.119 5.584 -7.039 1.00 0.00 ATOM 887 O THR 108 -1.129 9.182 -8.100 1.00 0.00 ATOM 888 C THR 108 -0.592 8.320 -7.417 1.00 0.00 ATOM 889 N SER 109 0.723 8.188 -7.285 1.00 0.00 ATOM 890 CA SER 109 1.672 9.038 -8.016 1.00 0.00 ATOM 891 CB SER 109 2.596 9.770 -7.042 1.00 0.00 ATOM 892 OG SER 109 3.461 8.863 -6.380 1.00 0.00 ATOM 893 O SER 109 2.464 6.913 -8.820 1.00 0.00 ATOM 894 C SER 109 2.499 8.136 -8.936 1.00 0.00 ATOM 895 N PRO 110 3.244 8.703 -9.869 1.00 0.00 ATOM 896 CA PRO 110 3.952 7.894 -10.872 1.00 0.00 ATOM 897 CB PRO 110 4.200 8.872 -12.024 1.00 0.00 ATOM 898 CG PRO 110 4.310 10.205 -11.365 1.00 0.00 ATOM 899 CD PRO 110 3.241 10.238 -10.309 1.00 0.00 ATOM 900 O PRO 110 6.338 7.924 -10.482 1.00 0.00 ATOM 901 C PRO 110 5.273 7.336 -10.319 1.00 0.00 ATOM 902 N VAL 111 5.110 6.206 -9.637 1.00 0.00 ATOM 903 CA VAL 111 6.219 5.575 -8.933 1.00 0.00 ATOM 904 CB VAL 111 6.050 5.677 -7.406 1.00 0.00 ATOM 905 CG1 VAL 111 6.034 7.134 -6.968 1.00 0.00 ATOM 906 CG2 VAL 111 4.743 5.030 -6.969 1.00 0.00 ATOM 907 O VAL 111 5.323 3.525 -9.822 1.00 0.00 ATOM 908 C VAL 111 6.299 4.094 -9.307 1.00 0.00 ATOM 909 N ASN 112 7.437 3.481 -9.022 1.00 0.00 ATOM 910 CA ASN 112 7.617 2.056 -9.254 1.00 0.00 ATOM 911 CB ASN 112 9.080 1.659 -9.042 1.00 0.00 ATOM 912 CG ASN 112 9.980 2.127 -10.168 1.00 0.00 ATOM 913 ND2 ASN 112 9.427 2.930 -11.070 1.00 0.00 ATOM 914 OD1 ASN 112 11.156 1.770 -10.224 1.00 0.00 ATOM 915 O ASN 112 6.161 0.179 -8.688 1.00 0.00 ATOM 916 C ASN 112 6.752 1.223 -8.292 1.00 0.00 ATOM 917 N LYS 113 6.708 1.694 -7.037 1.00 0.00 ATOM 918 CA LYS 113 5.979 0.975 -5.983 1.00 0.00 ATOM 919 CB LYS 113 6.163 1.728 -4.590 1.00 0.00 ATOM 920 CG LYS 113 5.942 0.909 -3.328 1.00 0.00 ATOM 921 CD LYS 113 6.472 1.619 -2.101 1.00 0.00 ATOM 922 CE LYS 113 6.627 0.651 -0.931 1.00 0.00 ATOM 923 NZ LYS 113 7.661 -0.407 -1.181 1.00 0.00 ATOM 924 O LYS 113 3.648 0.655 -5.388 1.00 0.00 ATOM 925 C LYS 113 4.484 1.295 -6.042 1.00 0.00 ATOM 926 N VAL 114 4.122 2.231 -6.882 1.00 0.00 ATOM 927 CA VAL 114 2.720 2.628 -7.004 1.00 0.00 ATOM 928 CB VAL 114 2.474 3.999 -6.354 1.00 0.00 ATOM 929 CG1 VAL 114 1.076 4.498 -6.712 1.00 0.00 ATOM 930 CG2 VAL 114 2.627 3.876 -4.835 1.00 0.00 ATOM 931 O VAL 114 3.249 3.207 -9.280 1.00 0.00 ATOM 932 C VAL 114 2.385 2.843 -8.467 1.00 0.00 ATOM 933 N SER 115 1.073 1.507 -8.430 1.00 0.00 ATOM 934 CA SER 115 0.649 1.173 -9.788 1.00 0.00 ATOM 935 CB SER 115 0.408 -0.332 -9.920 1.00 0.00 ATOM 936 OG SER 115 -0.100 -0.657 -11.203 1.00 0.00 ATOM 937 O SER 115 -1.581 1.912 -9.319 1.00 0.00 ATOM 938 C SER 115 -0.643 1.917 -10.096 1.00 0.00 ATOM 939 N ILE 116 -0.620 2.604 -11.239 1.00 0.00 ATOM 940 CA ILE 116 -1.801 3.326 -11.708 1.00 0.00 ATOM 941 CB ILE 116 -1.605 4.077 -12.990 1.00 0.00 ATOM 942 CG1 ILE 116 -2.899 4.789 -13.389 1.00 0.00 ATOM 943 CG2 ILE 116 -1.148 3.152 -14.100 1.00 0.00 ATOM 944 CD1 ILE 116 -3.361 5.833 -12.395 1.00 0.00 ATOM 945 O ILE 116 -4.051 2.491 -11.546 1.00 0.00 ATOM 946 C ILE 116 -2.912 2.294 -11.960 1.00 0.00 ATOM 947 N ALA 117 -2.579 1.192 -12.624 1.00 0.00 ATOM 948 CA ALA 117 -3.540 0.128 -12.904 1.00 0.00 ATOM 949 CB ALA 117 -2.747 -1.091 -13.451 1.00 0.00 ATOM 950 O ALA 117 -4.833 -1.542 -11.777 1.00 0.00 ATOM 951 C ALA 117 -3.864 -0.784 -11.724 1.00 0.00 ATOM 952 N TYR 118 -3.041 -0.703 -10.664 1.00 0.00 ATOM 953 CA TYR 118 -3.272 -1.560 -9.504 1.00 0.00 ATOM 954 CB TYR 118 -2.125 -1.404 -8.503 1.00 0.00 ATOM 955 CG TYR 118 -0.912 -2.232 -8.896 1.00 0.00 ATOM 956 CD1 TYR 118 0.265 -1.670 -9.336 1.00 0.00 ATOM 957 CD2 TYR 118 -1.023 -3.617 -8.767 1.00 0.00 ATOM 958 CE1 TYR 118 1.373 -2.483 -9.623 1.00 0.00 ATOM 959 CE2 TYR 118 0.088 -4.418 -8.998 1.00 0.00 ATOM 960 CZ TYR 118 1.249 -3.839 -9.429 1.00 0.00 ATOM 961 OH TYR 118 2.338 -4.681 -9.632 1.00 0.00 ATOM 962 O TYR 118 -5.307 -2.214 -8.386 1.00 0.00 ATOM 963 C TYR 118 -4.608 -1.324 -8.833 1.00 0.00 ATOM 964 N HIS 119 -4.959 -0.020 -8.606 1.00 0.00 ATOM 965 CA HIS 119 -6.245 0.225 -7.968 1.00 0.00 ATOM 966 CB HIS 119 -6.698 1.779 -8.459 1.00 0.00 ATOM 967 CG HIS 119 -5.660 2.857 -8.571 1.00 0.00 ATOM 968 CD2 HIS 119 -5.067 3.415 -9.659 1.00 0.00 ATOM 969 ND1 HIS 119 -5.050 3.434 -7.481 1.00 0.00 ATOM 970 CE1 HIS 119 -4.131 4.280 -7.878 1.00 0.00 ATOM 971 NE2 HIS 119 -4.116 4.286 -9.200 1.00 0.00 ATOM 972 O HIS 119 -8.281 -0.972 -8.209 1.00 0.00 ATOM 973 C HIS 119 -7.405 -0.317 -8.769 1.00 0.00 ATOM 974 N THR 120 -7.459 -0.107 -10.066 1.00 0.00 ATOM 975 CA THR 120 -8.499 -0.569 -10.933 1.00 0.00 ATOM 976 CB THR 120 -8.486 0.025 -12.356 1.00 0.00 ATOM 977 CG2 THR 120 -9.589 -0.455 -13.251 1.00 0.00 ATOM 978 OG1 THR 120 -8.647 1.437 -12.210 1.00 0.00 ATOM 979 O THR 120 -9.514 -2.747 -10.735 1.00 0.00 ATOM 980 C THR 120 -8.500 -2.084 -10.982 1.00 0.00 ATOM 981 N LYS 121 -7.324 -2.651 -11.249 1.00 0.00 ATOM 982 CA LYS 121 -7.202 -4.114 -11.316 1.00 0.00 ATOM 983 CB LYS 121 -5.801 -4.520 -11.825 1.00 0.00 ATOM 984 CG LYS 121 -5.603 -6.056 -11.975 1.00 0.00 ATOM 985 CD LYS 121 -6.217 -6.574 -13.282 1.00 0.00 ATOM 986 CE LYS 121 -6.165 -8.105 -13.368 1.00 0.00 ATOM 987 NZ LYS 121 -6.887 -8.615 -14.597 1.00 0.00 ATOM 988 O LYS 121 -7.895 -5.922 -9.864 1.00 0.00 ATOM 989 C LYS 121 -7.480 -4.761 -9.949 1.00 0.00 ATOM 990 N LEU 122 -7.217 -4.021 -8.880 1.00 0.00 ATOM 991 CA LEU 122 -7.459 -4.509 -7.527 1.00 0.00 ATOM 992 CB LEU 122 -6.261 -3.966 -6.497 1.00 0.00 ATOM 993 CG LEU 122 -4.936 -3.444 -7.040 1.00 0.00 ATOM 994 CD1 LEU 122 -4.175 -2.675 -5.957 1.00 0.00 ATOM 995 CD2 LEU 122 -4.075 -4.580 -7.566 1.00 0.00 ATOM 996 O LEU 122 -9.138 -4.248 -5.807 1.00 0.00 ATOM 997 C LEU 122 -8.839 -4.077 -6.995 1.00 0.00 ATOM 998 N GLY 123 -10.634 -3.791 -6.634 1.00 0.00 ATOM 999 CA GLY 123 -11.913 -3.114 -6.460 1.00 0.00 ATOM 1000 O GLY 123 -12.836 -1.348 -5.116 1.00 0.00 ATOM 1001 C GLY 123 -11.842 -1.794 -5.699 1.00 0.00 ATOM 1002 N PHE 124 -10.659 -1.164 -5.731 1.00 0.00 ATOM 1003 CA PHE 124 -10.468 0.081 -5.028 1.00 0.00 ATOM 1004 CB PHE 124 -9.160 0.569 -5.330 1.00 0.00 ATOM 1005 CG PHE 124 -8.563 0.401 -3.960 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.128 1.034 -2.855 1.00 0.00 ATOM 1007 CD2 PHE 124 -7.442 -0.371 -3.764 1.00 0.00 ATOM 1008 CE1 PHE 124 -8.587 0.890 -1.598 1.00 0.00 ATOM 1009 CE2 PHE 124 -6.890 -0.541 -2.522 1.00 0.00 ATOM 1010 CZ PHE 124 -7.455 0.116 -1.440 1.00 0.00 ATOM 1011 O PHE 124 -11.008 1.124 -7.135 1.00 0.00 ATOM 1012 C PHE 124 -10.899 1.268 -5.904 1.00 0.00 ATOM 1013 N ASP 125 -11.171 2.406 -5.254 1.00 0.00 ATOM 1014 CA ASP 125 -11.603 3.634 -5.913 1.00 0.00 ATOM 1015 CB ASP 125 -13.056 3.953 -5.556 1.00 0.00 ATOM 1016 CG ASP 125 -14.025 2.913 -6.078 1.00 0.00 ATOM 1017 OD1 ASP 125 -14.143 2.777 -7.313 1.00 0.00 ATOM 1018 OD2 ASP 125 -14.671 2.234 -5.251 1.00 0.00 ATOM 1019 O ASP 125 -10.211 4.843 -4.379 1.00 0.00 ATOM 1020 C ASP 125 -10.739 4.805 -5.488 1.00 0.00 ATOM 1021 N ILE 126 -10.630 5.784 -6.359 1.00 0.00 ATOM 1022 CA ILE 126 -9.855 6.963 -6.045 1.00 0.00 ATOM 1023 CB ILE 126 -9.226 7.786 -6.771 1.00 0.00 ATOM 1024 CG1 ILE 126 -7.796 7.279 -6.649 1.00 0.00 ATOM 1025 CG2 ILE 126 -9.275 9.209 -6.223 1.00 0.00 ATOM 1026 CD1 ILE 126 -6.856 7.784 -7.739 1.00 0.00 ATOM 1027 O ILE 126 -11.761 7.815 -4.895 1.00 0.00 ATOM 1028 C ILE 126 -10.550 7.671 -4.890 1.00 0.00 ATOM 1029 N GLU 127 -9.799 8.111 -3.894 1.00 0.00 ATOM 1030 CA GLU 127 -10.447 8.706 -2.747 1.00 0.00 ATOM 1031 CB GLU 127 -10.864 7.374 -1.896 1.00 0.00 ATOM 1032 CG GLU 127 -12.344 7.303 -1.528 1.00 0.00 ATOM 1033 CD GLU 127 -12.981 8.662 -1.528 1.00 0.00 ATOM 1034 OE1 GLU 127 -12.698 9.558 -0.719 1.00 0.00 ATOM 1035 OE2 GLU 127 -13.878 8.753 -2.491 1.00 0.00 ATOM 1036 O GLU 127 -10.382 10.605 -1.343 1.00 0.00 ATOM 1037 C GLU 127 -9.804 9.956 -2.203 1.00 0.00 ATOM 1038 N LYS 128 -8.616 10.302 -2.647 1.00 0.00 ATOM 1039 CA LYS 128 -7.951 11.510 -2.179 1.00 0.00 ATOM 1040 CB LYS 128 -6.626 10.917 -1.506 1.00 0.00 ATOM 1041 CG LYS 128 -5.733 11.893 -0.818 1.00 0.00 ATOM 1042 CD LYS 128 -4.356 11.367 -0.385 1.00 0.00 ATOM 1043 CE LYS 128 -4.321 10.060 0.377 1.00 0.00 ATOM 1044 NZ LYS 128 -3.029 9.550 0.974 1.00 0.00 ATOM 1045 O LYS 128 -7.763 13.755 -2.980 1.00 0.00 ATOM 1046 C LYS 128 -7.760 12.558 -3.266 1.00 0.00 ATOM 1047 N GLY 129 -7.585 12.125 -4.509 1.00 0.00 ATOM 1048 CA GLY 129 -7.363 13.053 -5.600 1.00 0.00 ATOM 1049 O GLY 129 -5.733 11.511 -6.431 1.00 0.00 ATOM 1050 C GLY 129 -6.080 12.689 -6.331 1.00 0.00 ATOM 1051 N THR 130 -5.370 13.704 -6.807 1.00 0.00 ATOM 1052 CA THR 130 -4.124 13.487 -7.551 1.00 0.00 ATOM 1053 CB THR 130 -4.220 13.786 -9.052 1.00 0.00 ATOM 1054 CG2 THR 130 -5.436 13.147 -9.685 1.00 0.00 ATOM 1055 OG1 THR 130 -4.198 15.191 -9.339 1.00 0.00 ATOM 1056 O THR 130 -3.313 15.424 -6.382 1.00 0.00 ATOM 1057 C THR 130 -3.039 14.430 -7.072 1.00 0.00 ATOM 1058 N LYS 131 -1.793 14.062 -7.419 1.00 0.00 ATOM 1059 CA LYS 131 -0.665 14.942 -7.060 1.00 0.00 ATOM 1060 CB LYS 131 0.636 14.514 -8.056 1.00 0.00 ATOM 1061 CG LYS 131 1.758 13.538 -7.685 1.00 0.00 ATOM 1062 CD LYS 131 1.760 12.311 -8.581 1.00 0.00 ATOM 1063 CE LYS 131 0.968 11.149 -8.014 1.00 0.00 ATOM 1064 NZ LYS 131 1.637 10.641 -6.792 1.00 0.00 ATOM 1065 O LYS 131 -0.573 17.363 -7.059 1.00 0.00 ATOM 1066 C LYS 131 -0.768 16.312 -7.684 1.00 0.00 ATOM 1067 N THR 132 -1.055 16.276 -8.971 1.00 0.00 ATOM 1068 CA THR 132 -1.114 17.575 -9.600 1.00 0.00 ATOM 1069 CB THR 132 -1.116 17.417 -11.136 1.00 0.00 ATOM 1070 CG2 THR 132 -1.458 18.721 -11.873 1.00 0.00 ATOM 1071 OG1 THR 132 0.125 16.846 -11.549 1.00 0.00 ATOM 1072 O THR 132 -2.155 19.633 -8.970 1.00 0.00 ATOM 1073 C THR 132 -2.286 18.418 -9.077 1.00 0.00 ATOM 1074 N VAL 133 -3.441 17.860 -8.777 1.00 0.00 ATOM 1075 CA VAL 133 -4.554 18.664 -8.262 1.00 0.00 ATOM 1076 CB VAL 133 -5.790 17.794 -7.967 1.00 0.00 ATOM 1077 CG1 VAL 133 -6.853 18.608 -7.246 1.00 0.00 ATOM 1078 CG2 VAL 133 -6.387 17.262 -9.260 1.00 0.00 ATOM 1079 O VAL 133 -4.617 20.602 -6.856 1.00 0.00 ATOM 1080 C VAL 133 -4.291 19.422 -6.963 1.00 0.00 ATOM 1081 N ASN 134 -3.730 18.740 -5.971 1.00 0.00 ATOM 1082 CA ASN 134 -3.440 19.344 -4.673 1.00 0.00 ATOM 1083 CB ASN 134 -3.858 18.405 -3.540 1.00 0.00 ATOM 1084 CG ASN 134 -5.364 18.288 -3.408 1.00 0.00 ATOM 1085 ND2 ASN 134 -5.899 17.127 -3.768 1.00 0.00 ATOM 1086 OD1 ASN 134 -6.036 19.229 -2.984 1.00 0.00 ATOM 1087 O ASN 134 -1.436 19.722 -3.400 1.00 0.00 ATOM 1088 C ASN 134 -1.953 19.636 -4.521 1.00 0.00 ATOM 1089 N GLY 135 -1.277 19.809 -5.650 1.00 0.00 ATOM 1090 CA GLY 135 0.149 20.054 -5.635 1.00 0.00 ATOM 1091 O GLY 135 0.151 17.989 -6.830 1.00 0.00 ATOM 1092 C GLY 135 0.817 18.933 -6.405 1.00 0.00 ATOM 1093 N ILE 136 2.130 19.007 -6.557 1.00 0.00 ATOM 1094 CA ILE 136 2.872 17.998 -7.298 1.00 0.00 ATOM 1095 CB ILE 136 4.388 18.271 -7.266 1.00 0.00 ATOM 1096 CG1 ILE 136 4.707 19.583 -7.985 1.00 0.00 ATOM 1097 CG2 ILE 136 5.147 17.147 -7.952 1.00 0.00 ATOM 1098 CD1 ILE 136 6.131 20.054 -7.790 1.00 0.00 ATOM 1099 O ILE 136 3.016 16.253 -5.645 1.00 0.00 ATOM 1100 C ILE 136 2.718 16.573 -6.800 1.00 0.00 ATOM 1101 N SER 137 2.226 15.729 -7.699 1.00 0.00 ATOM 1102 CA SER 137 2.036 14.313 -7.435 1.00 0.00 ATOM 1103 CB SER 137 3.218 13.498 -8.066 1.00 0.00 ATOM 1104 OG SER 137 4.460 13.980 -7.613 1.00 0.00 ATOM 1105 O SER 137 1.109 12.910 -5.731 1.00 0.00 ATOM 1106 C SER 137 1.014 13.963 -6.357 1.00 0.00 ATOM 1107 N VAL 138 0.051 14.866 -6.133 1.00 0.00 ATOM 1108 CA VAL 138 -1.001 14.635 -5.163 1.00 0.00 ATOM 1109 CB VAL 138 -1.191 15.866 -4.246 1.00 0.00 ATOM 1110 CG1 VAL 138 -2.399 15.666 -3.301 1.00 0.00 ATOM 1111 CG2 VAL 138 0.038 16.010 -3.395 1.00 0.00 ATOM 1112 O VAL 138 -2.523 15.222 -6.928 1.00 0.00 ATOM 1113 C VAL 138 -2.176 14.379 -6.096 1.00 0.00 ATOM 1114 N PHE 139 -2.751 13.180 -5.968 1.00 0.00 ATOM 1115 CA PHE 139 -3.836 12.791 -6.843 1.00 0.00 ATOM 1116 CB PHE 139 -3.342 11.857 -7.986 1.00 0.00 ATOM 1117 CG PHE 139 -4.453 11.593 -8.983 1.00 0.00 ATOM 1118 CD1 PHE 139 -5.309 10.506 -8.797 1.00 0.00 ATOM 1119 CD2 PHE 139 -4.621 12.449 -10.071 1.00 0.00 ATOM 1120 CE1 PHE 139 -6.338 10.252 -9.701 1.00 0.00 ATOM 1121 CE2 PHE 139 -5.648 12.205 -10.987 1.00 0.00 ATOM 1122 CZ PHE 139 -6.494 11.112 -10.794 1.00 0.00 ATOM 1123 O PHE 139 -4.377 11.136 -5.210 1.00 0.00 ATOM 1124 C PHE 139 -4.780 11.841 -6.146 1.00 0.00 ATOM 1125 N ALA 140 -6.920 11.512 -6.783 1.00 0.00 ATOM 1126 CA ALA 140 -7.725 11.008 -5.680 1.00 0.00 ATOM 1127 CB ALA 140 -7.603 11.908 -4.509 1.00 0.00 ATOM 1128 O ALA 140 -9.529 12.162 -6.739 1.00 0.00 ATOM 1129 C ALA 140 -9.176 11.183 -6.081 1.00 0.00 ATOM 1130 N ASN 141 -10.000 10.220 -5.688 1.00 0.00 ATOM 1131 CA ASN 141 -11.421 10.255 -5.997 1.00 0.00 ATOM 1132 CB ASN 141 -12.076 11.462 -5.327 1.00 0.00 ATOM 1133 CG ASN 141 -13.565 11.293 -5.161 1.00 0.00 ATOM 1134 ND2 ASN 141 -14.052 10.089 -5.421 1.00 0.00 ATOM 1135 OD1 ASN 141 -14.274 12.232 -4.796 1.00 0.00 ATOM 1136 O ASN 141 -12.439 11.034 -8.039 1.00 0.00 ATOM 1137 C ASN 141 -11.548 10.364 -7.516 1.00 0.00 ATOM 1138 N TYR 142 -10.631 9.695 -8.209 1.00 0.00 ATOM 1139 CA TYR 142 -10.585 9.685 -9.665 1.00 0.00 ATOM 1140 CB TYR 142 -9.342 8.913 -10.107 1.00 0.00 ATOM 1141 CG TYR 142 -8.966 9.098 -11.557 1.00 0.00 ATOM 1142 CD1 TYR 142 -8.522 10.332 -12.034 1.00 0.00 ATOM 1143 CD2 TYR 142 -9.034 8.031 -12.449 1.00 0.00 ATOM 1144 CE1 TYR 142 -8.150 10.495 -13.371 1.00 0.00 ATOM 1145 CE2 TYR 142 -8.668 8.182 -13.778 1.00 0.00 ATOM 1146 CZ TYR 142 -8.227 9.409 -14.234 1.00 0.00 ATOM 1147 OH TYR 142 -7.860 9.532 -15.548 1.00 0.00 ATOM 1148 O TYR 142 -12.312 8.015 -9.807 1.00 0.00 ATOM 1149 C TYR 142 -11.848 9.056 -10.268 1.00 0.00 ATOM 1150 N ASP 143 -12.393 9.691 -11.304 1.00 0.00 ATOM 1151 CA ASP 143 -13.613 9.220 -11.969 1.00 0.00 ATOM 1152 CB ASP 143 -14.449 10.425 -12.437 1.00 0.00 ATOM 1153 CG ASP 143 -15.763 10.022 -13.101 1.00 0.00 ATOM 1154 OD1 ASP 143 -16.203 8.860 -12.948 1.00 0.00 ATOM 1155 OD2 ASP 143 -16.369 10.884 -13.771 1.00 0.00 ATOM 1156 O ASP 143 -12.841 8.764 -14.194 1.00 0.00 ATOM 1157 C ASP 143 -13.314 8.310 -13.152 1.00 0.00 ATOM 1158 N GLY 144 -13.621 7.028 -12.989 1.00 0.00 ATOM 1159 CA GLY 144 -13.366 6.044 -14.026 1.00 0.00 ATOM 1160 O GLY 144 -10.997 6.064 -13.641 1.00 0.00 ATOM 1161 C GLY 144 -11.922 5.792 -14.430 1.00 0.00 ATOM 1162 N PRO 145 -11.720 5.247 -15.659 1.00 0.00 ATOM 1163 CA PRO 145 -10.462 4.892 -16.322 1.00 0.00 ATOM 1164 CB PRO 145 -10.904 4.493 -17.734 1.00 0.00 ATOM 1165 CG PRO 145 -12.185 3.813 -17.469 1.00 0.00 ATOM 1166 CD PRO 145 -12.859 4.776 -16.482 1.00 0.00 ATOM 1167 O PRO 145 -9.660 7.192 -16.547 1.00 0.00 ATOM 1168 C PRO 145 -9.401 5.984 -16.344 1.00 0.00 ATOM 1169 N GLY 146 -8.193 5.498 -16.108 1.00 0.00 ATOM 1170 CA GLY 146 -7.050 6.351 -16.086 1.00 0.00 ATOM 1171 O GLY 146 -6.687 5.994 -18.477 1.00 0.00 ATOM 1172 C GLY 146 -6.205 6.116 -17.328 1.00 0.00 ATOM 1173 N GLN 147 -4.923 6.063 -17.024 1.00 0.00 ATOM 1174 CA GLN 147 -3.899 5.918 -18.061 1.00 0.00 ATOM 1175 CB GLN 147 -2.575 6.507 -17.560 1.00 0.00 ATOM 1176 CG GLN 147 -2.566 8.009 -17.429 1.00 0.00 ATOM 1177 CD GLN 147 -1.188 8.567 -17.111 1.00 0.00 ATOM 1178 OE1 GLN 147 -0.215 7.812 -17.056 1.00 0.00 ATOM 1179 NE2 GLN 147 -1.098 9.875 -16.904 1.00 0.00 ATOM 1180 O GLN 147 -3.691 3.572 -17.480 1.00 0.00 ATOM 1181 C GLN 147 -3.705 4.448 -18.384 1.00 0.00 ATOM 1182 N ASP 148 -3.515 4.122 -19.656 1.00 0.00 ATOM 1183 CA ASP 148 -3.249 2.740 -20.044 1.00 0.00 ATOM 1184 CB ASP 148 -3.138 2.622 -21.568 1.00 0.00 ATOM 1185 CG ASP 148 -4.490 2.639 -22.264 1.00 0.00 ATOM 1186 OD1 ASP 148 -4.508 2.681 -23.513 1.00 0.00 ATOM 1187 OD2 ASP 148 -5.530 2.606 -21.570 1.00 0.00 ATOM 1188 O ASP 148 -1.968 1.113 -18.852 1.00 0.00 ATOM 1189 C ASP 148 -1.973 2.206 -19.409 1.00 0.00 ATOM 1190 N ARG 149 -0.895 2.985 -19.495 1.00 0.00 ATOM 1191 CA ARG 149 0.397 2.582 -18.947 1.00 0.00 ATOM 1192 CB ARG 149 1.472 3.600 -19.341 1.00 0.00 ATOM 1193 CG ARG 149 2.910 3.137 -19.134 1.00 0.00 ATOM 1194 CD ARG 149 3.230 1.899 -19.970 1.00 0.00 ATOM 1195 NE ARG 149 2.623 1.967 -21.301 1.00 0.00 ATOM 1196 CZ ARG 149 2.951 2.847 -22.241 1.00 0.00 ATOM 1197 NH1 ARG 149 3.900 3.747 -22.020 1.00 0.00 ATOM 1198 NH2 ARG 149 2.308 2.847 -23.401 1.00 0.00 ATOM 1199 O ARG 149 0.962 1.516 -16.875 1.00 0.00 ATOM 1200 C ARG 149 0.363 2.437 -17.429 1.00 0.00 ATOM 1201 N VAL 150 -0.329 3.353 -16.756 1.00 0.00 ATOM 1202 CA VAL 150 -0.428 3.297 -15.305 1.00 0.00 ATOM 1203 CB VAL 150 -1.046 4.717 -14.814 1.00 0.00 ATOM 1204 CG1 VAL 150 -1.171 4.744 -13.303 1.00 0.00 ATOM 1205 CG2 VAL 150 -0.216 5.901 -15.301 1.00 0.00 ATOM 1206 O VAL 150 -0.796 1.358 -13.944 1.00 0.00 ATOM 1207 C VAL 150 -1.192 2.048 -14.881 1.00 0.00 ATOM 1208 N LEU 151 -2.279 1.742 -15.576 1.00 0.00 ATOM 1209 CA LEU 151 -3.057 0.557 -15.243 1.00 0.00 ATOM 1210 CB LEU 151 -4.257 0.406 -16.162 1.00 0.00 ATOM 1211 CG LEU 151 -5.432 1.312 -15.814 1.00 0.00 ATOM 1212 CD1 LEU 151 -6.420 1.353 -16.966 1.00 0.00 ATOM 1213 CD2 LEU 151 -6.083 0.797 -14.540 1.00 0.00 ATOM 1214 O LEU 151 -2.364 -1.674 -14.724 1.00 0.00 ATOM 1215 C LEU 151 -2.232 -0.705 -15.467 1.00 0.00 ATOM 1216 N PHE 152 -1.383 -0.697 -16.484 1.00 0.00 ATOM 1217 CA PHE 152 -0.524 -1.860 -16.741 1.00 0.00 ATOM 1218 CB PHE 152 -0.355 -2.079 -18.245 1.00 0.00 ATOM 1219 CG PHE 152 -1.601 -2.555 -18.933 1.00 0.00 ATOM 1220 CD1 PHE 152 -2.672 -3.034 -18.201 1.00 0.00 ATOM 1221 CD2 PHE 152 -1.703 -2.523 -20.314 1.00 0.00 ATOM 1222 CE1 PHE 152 -3.821 -3.474 -18.834 1.00 0.00 ATOM 1223 CE2 PHE 152 -2.852 -2.961 -20.947 1.00 0.00 ATOM 1224 CZ PHE 152 -3.908 -3.434 -20.213 1.00 0.00 ATOM 1225 O PHE 152 1.867 -1.992 -16.786 1.00 0.00 ATOM 1226 C PHE 152 0.867 -1.684 -16.137 1.00 0.00 ATOM 1227 N VAL 153 0.974 -1.199 -14.909 1.00 0.00 ATOM 1228 CA VAL 153 2.215 -0.978 -14.210 1.00 0.00 ATOM 1229 CB VAL 153 2.021 -0.174 -12.927 1.00 0.00 ATOM 1230 CG1 VAL 153 3.264 -0.185 -12.078 1.00 0.00 ATOM 1231 CG2 VAL 153 1.685 1.255 -13.250 1.00 0.00 ATOM 1232 O VAL 153 4.179 -2.354 -14.263 1.00 0.00 ATOM 1233 C VAL 153 2.948 -2.290 -14.022 1.00 0.00 ATOM 1234 N LYS 154 2.256 -3.336 -13.664 1.00 0.00 ATOM 1235 CA LYS 154 2.830 -4.667 -13.473 1.00 0.00 ATOM 1236 CB LYS 154 1.739 -5.589 -12.910 1.00 0.00 ATOM 1237 CG LYS 154 2.131 -7.035 -12.708 1.00 0.00 ATOM 1238 CD LYS 154 1.342 -7.631 -11.545 1.00 0.00 ATOM 1239 CE LYS 154 -0.168 -7.587 -11.776 1.00 0.00 ATOM 1240 NZ LYS 154 -0.954 -7.684 -10.499 1.00 0.00 ATOM 1241 O LYS 154 4.468 -5.776 -14.839 1.00 0.00 ATOM 1242 C LYS 154 3.389 -5.224 -14.788 1.00 0.00 ATOM 1243 N ASN 155 2.614 -5.064 -15.849 1.00 0.00 ATOM 1244 CA ASN 155 2.999 -5.550 -17.178 1.00 0.00 ATOM 1245 CB ASN 155 1.769 -5.947 -17.985 1.00 0.00 ATOM 1246 CG ASN 155 1.384 -7.376 -17.776 1.00 0.00 ATOM 1247 ND2 ASN 155 2.159 -8.296 -18.354 1.00 0.00 ATOM 1248 OD1 ASN 155 0.387 -7.662 -17.113 1.00 0.00 ATOM 1249 O ASN 155 4.125 -4.858 -19.168 1.00 0.00 ATOM 1250 C ASN 155 3.800 -4.571 -18.015 1.00 0.00 ATOM 1251 N ILE 156 4.034 -3.381 -17.465 1.00 0.00 ATOM 1252 CA ILE 156 4.795 -2.377 -18.218 1.00 0.00 ATOM 1253 CB ILE 156 4.846 -1.006 -17.475 1.00 0.00 ATOM 1254 CG1 ILE 156 3.430 -0.418 -17.391 1.00 0.00 ATOM 1255 CG2 ILE 156 5.759 -0.038 -18.212 1.00 0.00 ATOM 1256 CD1 ILE 156 3.351 0.860 -16.617 1.00 0.00 ATOM 1257 O ILE 156 6.598 -2.916 -19.730 1.00 0.00 ATOM 1258 C ILE 156 6.219 -2.887 -18.556 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Sep 5 17:13:39 2002 Date: Thu, 5 Sep 2002 17:13:33 -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 Sep 5 16:44:43 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_677259_42172 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0169TS001_2 Current information on models submitted in prediction T0169TS001 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_2 PIN_677259_42172 4069-6308-1312 09/05/02 16:44:43 karplus@cse.ucsc.edu T0169TS001_1 PIN_498107_42121 4069-6308-1312 09/05/02 15:26:52 karplus@cse.ucsc.edu T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_5 PIN_387678_42092 4069-6308-1312 09/05/02 15:15:48 karplus@cse.ucsc.edu T0169TS001_3 PIN_366472_42086 4069-6308-1312 09/05/02 15:13:36 karplus@cse.ucsc.edu T0169TS001_3 PIN_234336_42050 4069-6308-1312 09/05/02 15:00:15 karplus@cse.ucsc.edu T0169TS001_2 PIN_828234_42049 4069-6308-1312 09/05/02 14:59:54 karplus@cse.ucsc.edu T0169TS001_1 PIN_824833_42048 4069-6308-1312 09/05/02 14:59:20 karplus@cse.ucsc.edu T0169TS001_5 PIN_818632_42047 4069-6308-1312 09/05/02 14:58:58 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 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 T0169 MODEL_INDEX PIN CODE DATE E-mail T0169TS001_1 PIN_498107_42121 4069-6308-1312 09/05/02 15:26:52 karplus@cse.ucsc.edu T0169TS001_2 PIN_677259_42172 4069-6308-1312 09/05/02 16:44:43 karplus@cse.ucsc.edu T0169TS001_3 PIN_395880_42094 4069-6308-1312 09/05/02 15:16:30 karplus@cse.ucsc.edu T0169TS001_4 PIN_816631_42046 4069-6308-1312 09/05/02 14:58:38 karplus@cse.ucsc.edu T0169TS001_5 PIN_404982_42096 4069-6308-1312 09/05/02 15:17:21 karplus@cse.ucsc.edu T0169SS001_1 PIN_691862_20859 4069-6308-1312 08/12/02 10:56:56 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 T0169 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: T0169 # Total number of residues in target: 156 # Total number of residues in model: 156 # Total number of atoms in model: 1258 # Number of atoms with 1.0 occupancy: 1258 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0169 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 2 PARENT N/A ATOM 1 N MET 1 8.227 8.094 -2.236 1.00 0.00 ATOM 2 CA MET 1 8.209 8.458 -0.818 1.00 0.00 ATOM 3 CB MET 1 6.756 8.813 -0.498 1.00 0.00 ATOM 4 CG MET 1 6.445 10.215 -1.054 1.00 0.00 ATOM 5 SD MET 1 4.975 10.686 -0.110 1.00 0.00 ATOM 6 CE MET 1 5.002 9.360 1.107 1.00 0.00 ATOM 7 O MET 1 8.346 6.218 0.181 1.00 0.00 ATOM 8 C MET 1 8.672 7.426 0.183 1.00 0.00 ATOM 9 N ASP 2 9.477 7.810 1.154 1.00 0.00 ATOM 10 CA ASP 2 10.168 6.775 1.918 1.00 0.00 ATOM 11 CB ASP 2 11.433 7.348 2.585 1.00 0.00 ATOM 12 CG ASP 2 12.494 7.862 1.638 1.00 0.00 ATOM 13 OD1 ASP 2 12.594 7.358 0.510 1.00 0.00 ATOM 14 OD2 ASP 2 13.244 8.772 2.054 1.00 0.00 ATOM 15 O ASP 2 8.337 6.664 3.487 1.00 0.00 ATOM 16 C ASP 2 9.297 6.081 2.964 1.00 0.00 ATOM 17 N ILE 3 9.624 4.820 3.266 1.00 0.00 ATOM 18 CA ILE 3 8.875 4.085 4.267 1.00 0.00 ATOM 19 CB ILE 3 9.011 2.558 4.056 1.00 0.00 ATOM 20 CG1 ILE 3 8.364 2.176 2.727 1.00 0.00 ATOM 21 CG2 ILE 3 8.312 1.810 5.204 1.00 0.00 ATOM 22 CD1 ILE 3 8.671 0.750 2.245 1.00 0.00 ATOM 23 O ILE 3 10.583 4.255 5.987 1.00 0.00 ATOM 24 C ILE 3 9.417 4.503 5.657 1.00 0.00 ATOM 25 N ARG 4 8.575 5.164 6.444 1.00 0.00 ATOM 26 CA ARG 4 8.949 5.601 7.760 1.00 0.00 ATOM 27 CB ARG 4 7.864 6.526 8.319 1.00 0.00 ATOM 28 CG ARG 4 8.327 7.926 8.545 1.00 0.00 ATOM 29 CD ARG 4 7.766 8.514 9.839 1.00 0.00 ATOM 30 NE ARG 4 6.320 8.728 9.790 1.00 0.00 ATOM 31 CZ ARG 4 5.550 9.003 10.858 1.00 0.00 ATOM 32 NH1 ARG 4 6.038 9.131 12.062 1.00 0.00 ATOM 33 NH2 ARG 4 4.244 9.162 10.741 1.00 0.00 ATOM 34 O ARG 4 10.053 4.467 9.640 1.00 0.00 ATOM 35 C ARG 4 9.263 4.403 8.685 1.00 0.00 ATOM 36 N THR 5 8.707 3.239 8.420 1.00 0.00 ATOM 37 CA THR 5 9.135 2.160 9.287 1.00 0.00 ATOM 38 CB THR 5 8.517 0.776 8.746 1.00 0.00 ATOM 39 CG2 THR 5 8.416 -0.347 9.748 1.00 0.00 ATOM 40 OG1 THR 5 7.189 1.020 8.266 1.00 0.00 ATOM 41 O THR 5 11.410 1.490 9.481 1.00 0.00 ATOM 42 C THR 5 10.463 1.635 8.778 1.00 0.00 ATOM 43 N ILE 6 10.562 1.325 7.531 1.00 0.00 ATOM 44 CA ILE 6 11.827 0.790 7.039 1.00 0.00 ATOM 45 CB ILE 6 11.410 0.357 5.444 1.00 0.00 ATOM 46 CG1 ILE 6 10.436 -0.800 5.437 1.00 0.00 ATOM 47 CG2 ILE 6 12.701 0.028 4.685 1.00 0.00 ATOM 48 CD1 ILE 6 9.905 -1.181 4.091 1.00 0.00 ATOM 49 O ILE 6 12.432 3.074 6.604 1.00 0.00 ATOM 50 C ILE 6 12.798 1.901 6.647 1.00 0.00 ATOM 51 N THR 7 14.056 1.533 6.434 1.00 0.00 ATOM 52 CA THR 7 15.087 2.472 5.992 1.00 0.00 ATOM 53 CB THR 7 16.125 2.816 7.097 1.00 0.00 ATOM 54 CG2 THR 7 15.439 3.175 8.413 1.00 0.00 ATOM 55 OG1 THR 7 17.005 1.702 7.293 1.00 0.00 ATOM 56 O THR 7 15.561 0.473 4.746 1.00 0.00 ATOM 57 C THR 7 15.789 1.686 4.888 1.00 0.00 ATOM 58 N SER 8 16.648 2.341 4.094 1.00 0.00 ATOM 59 CA SER 8 17.357 1.645 3.014 1.00 0.00 ATOM 60 CB SER 8 18.312 2.619 2.310 1.00 0.00 ATOM 61 OG SER 8 19.294 3.101 3.209 1.00 0.00 ATOM 62 O SER 8 18.406 -0.481 2.658 1.00 0.00 ATOM 63 C SER 8 18.142 0.402 3.464 1.00 0.00 ATOM 64 N SER 9 18.475 0.317 4.754 1.00 0.00 ATOM 65 CA SER 9 19.212 -0.828 5.276 1.00 0.00 ATOM 66 CB SER 9 19.725 -0.536 6.693 1.00 0.00 ATOM 67 OG SER 9 18.675 -0.122 7.547 1.00 0.00 ATOM 68 O SER 9 19.024 -3.213 5.316 1.00 0.00 ATOM 69 C SER 9 18.427 -2.140 5.260 1.00 0.00 ATOM 70 N ASP 10 17.099 -2.068 5.190 1.00 0.00 ATOM 71 CA ASP 10 16.294 -3.288 5.143 1.00 0.00 ATOM 72 CB ASP 10 15.074 -3.178 6.081 1.00 0.00 ATOM 73 CG ASP 10 14.122 -2.044 5.710 1.00 0.00 ATOM 74 OD1 ASP 10 14.589 -0.962 5.313 1.00 0.00 ATOM 75 OD2 ASP 10 12.898 -2.214 5.897 1.00 0.00 ATOM 76 O ASP 10 15.150 -4.687 3.546 1.00 0.00 ATOM 77 C ASP 10 15.852 -3.687 3.728 1.00 0.00 ATOM 78 N TYR 11 16.428 -2.818 2.623 1.00 0.00 ATOM 79 CA TYR 11 16.226 -3.150 1.211 1.00 0.00 ATOM 80 CB TYR 11 17.567 -3.357 0.497 1.00 0.00 ATOM 81 CG TYR 11 18.443 -2.127 0.494 1.00 0.00 ATOM 82 CD1 TYR 11 19.614 -2.077 1.261 1.00 0.00 ATOM 83 CD2 TYR 11 18.095 -1.003 -0.251 1.00 0.00 ATOM 84 CE1 TYR 11 20.413 -0.936 1.289 1.00 0.00 ATOM 85 CE2 TYR 11 18.895 0.150 -0.233 1.00 0.00 ATOM 86 CZ TYR 11 20.046 0.169 0.540 1.00 0.00 ATOM 87 OH TYR 11 20.838 1.294 0.568 1.00 0.00 ATOM 88 O TYR 11 15.656 -5.245 0.201 1.00 0.00 ATOM 89 C TYR 11 16.489 -4.610 0.850 1.00 0.00 ATOM 90 N GLU 12 17.662 -5.132 1.297 1.00 0.00 ATOM 91 CA GLU 12 17.969 -6.491 0.989 1.00 0.00 ATOM 92 CB GLU 12 19.384 -6.825 1.447 1.00 0.00 ATOM 93 CG GLU 12 20.349 -5.793 0.851 1.00 0.00 ATOM 94 CD GLU 12 20.363 -4.494 1.622 1.00 0.00 ATOM 95 OE1 GLU 12 20.009 -4.663 2.864 1.00 0.00 ATOM 96 OE2 GLU 12 20.653 -3.403 1.178 1.00 0.00 ATOM 97 O GLU 12 16.449 -8.306 0.977 1.00 0.00 ATOM 98 C GLU 12 16.922 -7.370 1.622 1.00 0.00 ATOM 99 N MET 13 16.571 -7.041 2.865 1.00 0.00 ATOM 100 CA MET 13 15.569 -7.836 3.557 1.00 0.00 ATOM 101 CB MET 13 15.444 -7.387 5.010 1.00 0.00 ATOM 102 CG MET 13 16.657 -7.790 5.834 1.00 0.00 ATOM 103 SD MET 13 16.744 -9.589 6.138 1.00 0.00 ATOM 104 CE MET 13 18.264 -9.681 7.115 1.00 0.00 ATOM 105 O MET 13 13.552 -8.791 2.597 1.00 0.00 ATOM 106 C MET 13 14.244 -7.789 2.821 1.00 0.00 ATOM 107 N VAL 14 13.912 -6.574 2.419 1.00 0.00 ATOM 108 CA VAL 14 12.687 -6.403 1.679 1.00 0.00 ATOM 109 CB VAL 14 12.570 -4.928 1.253 1.00 0.00 ATOM 110 CG1 VAL 14 11.406 -4.743 0.273 1.00 0.00 ATOM 111 CG2 VAL 14 12.292 -4.037 2.462 1.00 0.00 ATOM 112 O VAL 14 11.716 -8.044 0.170 1.00 0.00 ATOM 113 C VAL 14 12.682 -7.294 0.432 1.00 0.00 ATOM 114 N THR 15 13.799 -7.177 -0.324 1.00 0.00 ATOM 115 CA THR 15 13.974 -7.918 -1.556 1.00 0.00 ATOM 116 CB THR 15 15.215 -7.401 -2.325 1.00 0.00 ATOM 117 CG2 THR 15 16.505 -7.647 -1.545 1.00 0.00 ATOM 118 OG1 THR 15 15.276 -8.032 -3.604 1.00 0.00 ATOM 119 O THR 15 13.342 -10.201 -2.092 1.00 0.00 ATOM 120 C THR 15 13.965 -9.452 -1.329 1.00 0.00 ATOM 121 N SER 16 14.555 -9.910 -0.227 1.00 0.00 ATOM 122 CA SER 16 14.551 -11.348 0.070 1.00 0.00 ATOM 123 CB SER 16 15.582 -11.672 1.150 1.00 0.00 ATOM 124 OG SER 16 16.885 -11.505 0.620 1.00 0.00 ATOM 125 O SER 16 12.791 -12.977 0.222 1.00 0.00 ATOM 126 C SER 16 13.158 -11.831 0.480 1.00 0.00 ATOM 127 N VAL 17 12.391 -10.959 1.139 1.00 0.00 ATOM 128 CA VAL 17 11.019 -11.285 1.550 1.00 0.00 ATOM 129 CB VAL 17 10.400 -10.160 2.442 1.00 0.00 ATOM 130 CG1 VAL 17 8.922 -10.425 2.685 1.00 0.00 ATOM 131 CG2 VAL 17 11.138 -10.082 3.779 1.00 0.00 ATOM 132 O VAL 17 9.293 -12.425 0.318 1.00 0.00 ATOM 133 C VAL 17 10.129 -11.528 0.314 1.00 0.00 ATOM 134 N LEU 18 10.332 -10.747 -0.741 1.00 0.00 ATOM 135 CA LEU 18 9.557 -10.913 -1.968 1.00 0.00 ATOM 136 CB LEU 18 9.724 -9.687 -2.874 1.00 0.00 ATOM 137 CG LEU 18 9.171 -8.345 -2.378 1.00 0.00 ATOM 138 CD1 LEU 18 9.522 -7.246 -3.362 1.00 0.00 ATOM 139 CD2 LEU 18 7.665 -8.418 -2.158 1.00 0.00 ATOM 140 O LEU 18 9.098 -12.906 -3.249 1.00 0.00 ATOM 141 C LEU 18 9.955 -12.197 -2.714 1.00 0.00 ATOM 142 N ASN 19 11.254 -12.492 -2.735 1.00 0.00 ATOM 143 CA ASN 19 11.768 -13.688 -3.391 1.00 0.00 ATOM 144 CB ASN 19 13.323 -13.594 -3.441 1.00 0.00 ATOM 145 CG ASN 19 13.788 -12.791 -4.634 1.00 0.00 ATOM 146 ND2 ASN 19 15.095 -12.522 -4.697 1.00 0.00 ATOM 147 OD1 ASN 19 13.004 -12.455 -5.515 1.00 0.00 ATOM 148 O ASN 19 11.224 -16.024 -3.351 1.00 0.00 ATOM 149 C ASN 19 11.366 -14.987 -2.699 1.00 0.00 ATOM 150 N GLU 20 11.201 -14.939 -1.378 1.00 0.00 ATOM 151 CA GLU 20 10.812 -16.120 -0.608 1.00 0.00 ATOM 152 CB GLU 20 11.338 -15.855 0.877 1.00 0.00 ATOM 153 CG GLU 20 12.806 -15.565 0.821 1.00 0.00 ATOM 154 CD GLU 20 13.550 -15.642 2.140 1.00 0.00 ATOM 155 OE1 GLU 20 12.952 -15.379 3.212 1.00 0.00 ATOM 156 OE2 GLU 20 14.767 -15.946 2.079 1.00 0.00 ATOM 157 O GLU 20 8.842 -17.471 -0.348 1.00 0.00 ATOM 158 C GLU 20 9.306 -16.357 -0.621 1.00 0.00 ATOM 159 N TRP 21 8.545 -15.302 -0.916 1.00 0.00 ATOM 160 CA TRP 21 7.088 -15.389 -0.971 1.00 0.00 ATOM 161 CB TRP 21 6.187 -14.543 -0.413 1.00 0.00 ATOM 162 CG TRP 21 6.251 -14.423 1.070 1.00 0.00 ATOM 163 CD1 TRP 21 6.776 -15.327 1.951 1.00 0.00 ATOM 164 CD2 TRP 21 5.755 -13.333 1.859 1.00 0.00 ATOM 165 CE2 TRP 21 6.011 -13.646 3.210 1.00 0.00 ATOM 166 CE3 TRP 21 5.121 -12.119 1.551 1.00 0.00 ATOM 167 NE1 TRP 21 6.633 -14.867 3.237 1.00 0.00 ATOM 168 CZ2 TRP 21 5.650 -12.787 4.262 1.00 0.00 ATOM 169 CZ3 TRP 21 4.767 -11.265 2.592 1.00 0.00 ATOM 170 CH2 TRP 21 5.031 -11.605 3.932 1.00 0.00 ATOM 171 O TRP 21 5.779 -16.459 -2.675 1.00 0.00 ATOM 172 C TRP 21 6.597 -15.582 -2.410 1.00 0.00 ATOM 173 N TRP 22 7.097 -14.764 -3.336 1.00 0.00 ATOM 174 CA TRP 22 6.718 -14.873 -4.748 1.00 0.00 ATOM 175 CB TRP 22 5.887 -13.672 -5.200 1.00 0.00 ATOM 176 CG TRP 22 4.613 -13.512 -4.459 1.00 0.00 ATOM 177 CD1 TRP 22 3.487 -14.269 -4.588 1.00 0.00 ATOM 178 CD2 TRP 22 4.329 -12.536 -3.453 1.00 0.00 ATOM 179 CE2 TRP 22 3.003 -12.765 -3.012 1.00 0.00 ATOM 180 CE3 TRP 22 5.068 -11.490 -2.881 1.00 0.00 ATOM 181 NE1 TRP 22 2.514 -13.828 -3.722 1.00 0.00 ATOM 182 CZ2 TRP 22 2.395 -11.987 -2.018 1.00 0.00 ATOM 183 CZ3 TRP 22 4.462 -10.713 -1.891 1.00 0.00 ATOM 184 CH2 TRP 22 3.133 -10.972 -1.469 1.00 0.00 ATOM 185 O TRP 22 8.294 -14.082 -6.393 1.00 0.00 ATOM 186 C TRP 22 7.945 -15.011 -5.656 1.00 0.00 ATOM 187 N GLY 23 8.619 -16.175 -5.609 1.00 0.00 ATOM 188 CA GLY 23 9.803 -16.406 -6.441 1.00 0.00 ATOM 189 O GLY 23 10.391 -16.209 -8.752 1.00 0.00 ATOM 190 C GLY 23 9.498 -16.420 -7.936 1.00 0.00 ATOM 191 N GLY 24 8.241 -16.656 -8.294 1.00 0.00 ATOM 192 CA GLY 24 7.851 -16.681 -9.702 1.00 0.00 ATOM 193 O GLY 24 7.705 -15.074 -11.472 1.00 0.00 ATOM 194 C GLY 24 7.718 -15.271 -10.258 1.00 0.00 ATOM 195 N ARG 25 7.617 -14.290 -9.367 1.00 0.00 ATOM 196 CA ARG 25 7.464 -12.903 -9.777 1.00 0.00 ATOM 197 CB ARG 25 6.391 -12.239 -8.866 1.00 0.00 ATOM 198 CG ARG 25 5.446 -11.227 -9.453 1.00 0.00 ATOM 199 CD ARG 25 4.285 -10.858 -8.541 1.00 0.00 ATOM 200 NE ARG 25 3.055 -11.637 -8.741 1.00 0.00 ATOM 201 CZ ARG 25 2.064 -11.283 -9.562 1.00 0.00 ATOM 202 NH1 ARG 25 2.197 -10.183 -10.302 1.00 0.00 ATOM 203 NH2 ARG 25 0.955 -12.007 -9.712 1.00 0.00 ATOM 204 O ARG 25 9.053 -11.180 -10.301 1.00 0.00 ATOM 205 C ARG 25 8.736 -12.099 -9.539 1.00 0.00 ATOM 206 N GLN 26 9.470 -12.467 -8.490 1.00 0.00 ATOM 207 CA GLN 26 10.706 -11.788 -8.133 1.00 0.00 ATOM 208 CB GLN 26 10.581 -11.003 -6.881 1.00 0.00 ATOM 209 CG GLN 26 9.398 -10.016 -6.966 1.00 0.00 ATOM 210 CD GLN 26 9.852 -8.898 -7.867 1.00 0.00 ATOM 211 OE1 GLN 26 10.978 -8.426 -7.709 1.00 0.00 ATOM 212 NE2 GLN 26 9.040 -8.518 -8.831 1.00 0.00 ATOM 213 O GLN 26 11.964 -13.767 -7.593 1.00 0.00 ATOM 214 C GLN 26 11.912 -12.722 -8.244 1.00 0.00 ATOM 215 N LEU 27 12.879 -12.339 -9.073 1.00 0.00 ATOM 216 CA LEU 27 14.065 -13.159 -9.265 1.00 0.00 ATOM 217 CB LEU 27 14.339 -14.314 -9.847 1.00 0.00 ATOM 218 CG LEU 27 13.443 -15.521 -9.560 1.00 0.00 ATOM 219 CD1 LEU 27 13.717 -16.621 -10.562 1.00 0.00 ATOM 220 CD2 LEU 27 13.699 -16.018 -8.141 1.00 0.00 ATOM 221 O LEU 27 15.699 -11.754 -8.226 1.00 0.00 ATOM 222 C LEU 27 15.375 -12.399 -9.227 1.00 0.00 ATOM 223 N LYS 28 16.139 -12.493 -10.321 1.00 0.00 ATOM 224 CA LYS 28 17.433 -11.816 -10.403 1.00 0.00 ATOM 225 CB LYS 28 18.102 -12.113 -11.736 1.00 0.00 ATOM 226 CG LYS 28 19.426 -11.471 -11.906 1.00 0.00 ATOM 227 CD LYS 28 20.211 -12.185 -12.973 1.00 0.00 ATOM 228 CE LYS 28 21.585 -11.644 -13.135 1.00 0.00 ATOM 229 NZ LYS 28 21.456 -10.284 -13.723 1.00 0.00 ATOM 230 O LYS 28 17.968 -9.631 -9.482 1.00 0.00 ATOM 231 C LYS 28 17.246 -10.282 -10.261 1.00 0.00 ATOM 232 N GLU 29 16.314 -9.691 -10.987 1.00 0.00 ATOM 233 CA GLU 29 16.063 -8.254 -10.893 1.00 0.00 ATOM 234 CB GLU 29 15.233 -7.999 -12.251 1.00 0.00 ATOM 235 CG GLU 29 16.172 -8.005 -13.420 1.00 0.00 ATOM 236 CD GLU 29 16.431 -9.387 -13.968 1.00 0.00 ATOM 237 OE1 GLU 29 15.701 -10.338 -13.617 1.00 0.00 ATOM 238 OE2 GLU 29 17.356 -9.496 -14.794 1.00 0.00 ATOM 239 O GLU 29 14.375 -6.952 -9.795 1.00 0.00 ATOM 240 C GLU 29 15.089 -7.951 -9.761 1.00 0.00 ATOM 241 N LYS 30 15.093 -8.830 -8.759 1.00 0.00 ATOM 242 CA LYS 30 14.208 -8.684 -7.610 1.00 0.00 ATOM 243 CB LYS 30 14.790 -9.852 -6.535 1.00 0.00 ATOM 244 CG LYS 30 15.365 -11.156 -7.045 1.00 0.00 ATOM 245 CD LYS 30 16.333 -11.696 -5.973 1.00 0.00 ATOM 246 CE LYS 30 17.777 -11.374 -6.316 1.00 0.00 ATOM 247 NZ LYS 30 18.677 -11.551 -5.138 1.00 0.00 ATOM 248 O LYS 30 13.725 -6.736 -6.282 1.00 0.00 ATOM 249 C LYS 30 14.594 -7.464 -6.771 1.00 0.00 ATOM 250 N LEU 31 15.897 -7.241 -6.617 1.00 0.00 ATOM 251 CA LEU 31 16.379 -6.108 -5.836 1.00 0.00 ATOM 252 CB LEU 31 17.891 -6.190 -5.650 1.00 0.00 ATOM 253 CG LEU 31 18.448 -5.263 -4.565 1.00 0.00 ATOM 254 CD1 LEU 31 17.881 -5.661 -3.194 1.00 0.00 ATOM 255 CD2 LEU 31 19.968 -5.331 -4.565 1.00 0.00 ATOM 256 O LEU 31 15.546 -3.873 -5.846 1.00 0.00 ATOM 257 C LEU 31 15.997 -4.805 -6.510 1.00 0.00 ATOM 258 N PRO 32 16.114 -4.737 -7.832 1.00 0.00 ATOM 259 CA PRO 32 15.775 -3.545 -8.581 1.00 0.00 ATOM 260 CB PRO 32 15.868 -4.012 -10.040 1.00 0.00 ATOM 261 CG PRO 32 16.855 -5.124 -10.021 1.00 0.00 ATOM 262 CD PRO 32 16.647 -5.820 -8.699 1.00 0.00 ATOM 263 O PRO 32 14.230 -1.733 -8.434 1.00 0.00 ATOM 264 C PRO 32 14.406 -2.957 -8.313 1.00 0.00 ATOM 265 N ARG 33 13.296 -4.197 -8.924 1.00 0.00 ATOM 266 CA ARG 33 11.856 -4.168 -8.659 1.00 0.00 ATOM 267 CB ARG 33 11.249 -5.576 -8.658 1.00 0.00 ATOM 268 CG ARG 33 11.158 -6.168 -10.035 1.00 0.00 ATOM 269 CD ARG 33 10.690 -7.610 -10.074 1.00 0.00 ATOM 270 NE ARG 33 10.377 -8.011 -11.436 1.00 0.00 ATOM 271 CZ ARG 33 10.583 -9.216 -11.939 1.00 0.00 ATOM 272 NH1 ARG 33 11.107 -10.198 -11.224 1.00 0.00 ATOM 273 NH2 ARG 33 10.235 -9.434 -13.183 1.00 0.00 ATOM 274 O ARG 33 10.517 -2.800 -7.214 1.00 0.00 ATOM 275 C ARG 33 11.550 -3.454 -7.346 1.00 0.00 ATOM 276 N LEU 34 12.460 -3.583 -6.383 1.00 0.00 ATOM 277 CA LEU 34 12.325 -2.930 -5.087 1.00 0.00 ATOM 278 CB LEU 34 13.310 -3.558 -4.100 1.00 0.00 ATOM 279 CG LEU 34 12.937 -4.979 -3.664 1.00 0.00 ATOM 280 CD1 LEU 34 14.037 -5.565 -2.807 1.00 0.00 ATOM 281 CD2 LEU 34 11.622 -4.945 -2.893 1.00 0.00 ATOM 282 O LEU 34 11.995 -0.610 -4.578 1.00 0.00 ATOM 283 C LEU 34 12.596 -1.440 -5.256 1.00 0.00 ATOM 284 N PHE 35 13.505 -1.115 -6.176 1.00 0.00 ATOM 285 CA PHE 35 13.841 0.278 -6.430 1.00 0.00 ATOM 286 CB PHE 35 15.027 0.387 -7.393 1.00 0.00 ATOM 287 CG PHE 35 16.365 0.186 -6.730 1.00 0.00 ATOM 288 CD1 PHE 35 17.012 1.250 -6.105 1.00 0.00 ATOM 289 CD2 PHE 35 16.969 -1.062 -6.718 1.00 0.00 ATOM 290 CE1 PHE 35 18.243 1.073 -5.476 1.00 0.00 ATOM 291 CE2 PHE 35 18.202 -1.254 -6.095 1.00 0.00 ATOM 292 CZ PHE 35 18.839 -0.179 -5.471 1.00 0.00 ATOM 293 O PHE 35 12.459 2.224 -6.659 1.00 0.00 ATOM 294 C PHE 35 12.640 1.049 -6.972 1.00 0.00 ATOM 295 N PHE 36 11.788 0.387 -7.735 1.00 0.00 ATOM 296 CA PHE 36 10.606 1.006 -8.320 1.00 0.00 ATOM 297 CB PHE 36 9.753 -0.088 -8.979 1.00 0.00 ATOM 298 CG PHE 36 8.596 0.435 -9.778 1.00 0.00 ATOM 299 CD1 PHE 36 8.793 0.961 -11.051 1.00 0.00 ATOM 300 CD2 PHE 36 7.304 0.395 -9.260 1.00 0.00 ATOM 301 CE1 PHE 36 7.716 1.441 -11.805 1.00 0.00 ATOM 302 CE2 PHE 36 6.220 0.872 -10.002 1.00 0.00 ATOM 303 CZ PHE 36 6.428 1.395 -11.281 1.00 0.00 ATOM 304 O PHE 36 9.161 2.804 -7.610 1.00 0.00 ATOM 305 C PHE 36 9.766 1.778 -7.292 1.00 0.00 ATOM 306 N GLU 37 9.735 1.284 -6.058 1.00 0.00 ATOM 307 CA GLU 37 8.959 1.919 -4.997 1.00 0.00 ATOM 308 CB GLU 37 8.947 1.027 -3.750 1.00 0.00 ATOM 309 CG GLU 37 8.427 -0.386 -3.997 1.00 0.00 ATOM 310 CD GLU 37 9.529 -1.366 -4.355 1.00 0.00 ATOM 311 OE1 GLU 37 10.472 -0.983 -5.080 1.00 0.00 ATOM 312 OE2 GLU 37 9.446 -2.535 -3.918 1.00 0.00 ATOM 313 O GLU 37 8.737 4.082 -3.978 1.00 0.00 ATOM 314 C GLU 37 9.454 3.315 -4.622 1.00 0.00 ATOM 315 N HIS 38 10.676 3.636 -5.032 1.00 0.00 ATOM 316 CA HIS 38 11.283 4.930 -4.745 1.00 0.00 ATOM 317 CB HIS 38 12.784 4.755 -4.488 1.00 0.00 ATOM 318 CG HIS 38 13.117 4.115 -3.175 1.00 0.00 ATOM 319 CD2 HIS 38 13.618 2.891 -2.880 1.00 0.00 ATOM 320 ND1 HIS 38 12.978 4.771 -1.971 1.00 0.00 ATOM 321 CE1 HIS 38 13.383 3.981 -0.992 1.00 0.00 ATOM 322 NE2 HIS 38 13.776 2.835 -1.517 1.00 0.00 ATOM 323 O HIS 38 11.391 7.120 -5.743 1.00 0.00 ATOM 324 C HIS 38 11.109 5.930 -5.893 1.00 0.00 ATOM 325 N PHE 39 10.664 5.464 -7.040 1.00 0.00 ATOM 326 CA PHE 39 10.499 6.314 -8.222 1.00 0.00 ATOM 327 CB PHE 39 10.013 5.592 -9.412 1.00 0.00 ATOM 328 CG PHE 39 10.922 4.573 -9.960 1.00 0.00 ATOM 329 CD1 PHE 39 12.156 4.924 -10.475 1.00 0.00 ATOM 330 CD2 PHE 39 10.542 3.261 -10.025 1.00 0.00 ATOM 331 CE1 PHE 39 12.981 3.993 -11.013 1.00 0.00 ATOM 332 CE2 PHE 39 11.386 2.319 -10.559 1.00 0.00 ATOM 333 CZ PHE 39 12.599 2.685 -11.064 1.00 0.00 ATOM 334 O PHE 39 8.677 7.510 -7.194 1.00 0.00 ATOM 335 C PHE 39 9.706 7.584 -7.857 1.00 0.00 ATOM 336 N GLN 40 10.181 8.767 -8.290 1.00 0.00 ATOM 337 CA GLN 40 9.555 10.077 -8.029 1.00 0.00 ATOM 338 CB GLN 40 10.350 11.144 -8.853 1.00 0.00 ATOM 339 CG GLN 40 11.763 11.408 -8.324 1.00 0.00 ATOM 340 CD GLN 40 12.549 12.394 -9.168 1.00 0.00 ATOM 341 OE1 GLN 40 11.988 13.241 -9.877 1.00 0.00 ATOM 342 NE2 GLN 40 13.871 12.303 -9.078 1.00 0.00 ATOM 343 O GLN 40 7.343 10.954 -7.657 1.00 0.00 ATOM 344 C GLN 40 8.058 10.214 -8.337 1.00 0.00 ATOM 345 N ASP 41 7.596 9.502 -9.365 1.00 0.00 ATOM 346 CA ASP 41 6.187 9.540 -9.779 1.00 0.00 ATOM 347 CB ASP 41 6.082 9.669 -11.300 1.00 0.00 ATOM 348 CG ASP 41 6.860 10.851 -11.863 1.00 0.00 ATOM 349 OD1 ASP 41 7.033 11.871 -11.155 1.00 0.00 ATOM 350 OD2 ASP 41 7.267 10.764 -13.040 1.00 0.00 ATOM 351 O ASP 41 4.192 8.190 -9.834 1.00 0.00 ATOM 352 C ASP 41 5.307 8.362 -9.333 1.00 0.00 ATOM 353 N THR 42 5.820 7.507 -8.469 1.00 0.00 ATOM 354 CA THR 42 4.986 6.440 -7.879 1.00 0.00 ATOM 355 CB THR 42 5.607 5.156 -8.482 1.00 0.00 ATOM 356 CG2 THR 42 6.275 4.140 -7.585 1.00 0.00 ATOM 357 OG1 THR 42 4.518 4.458 -9.112 1.00 0.00 ATOM 358 O THR 42 6.110 6.886 -5.809 1.00 0.00 ATOM 359 C THR 42 5.017 6.560 -6.352 1.00 0.00 ATOM 360 N SER 43 3.936 6.328 -5.676 1.00 0.00 ATOM 361 CA SER 43 3.884 6.328 -4.220 1.00 0.00 ATOM 362 CB SER 43 2.412 6.425 -3.830 1.00 0.00 ATOM 363 OG SER 43 2.343 6.309 -2.442 1.00 0.00 ATOM 364 O SER 43 4.111 3.909 -4.244 1.00 0.00 ATOM 365 C SER 43 4.474 4.992 -3.702 1.00 0.00 ATOM 366 N PHE 44 5.749 5.668 0.542 1.00 0.00 ATOM 367 CA PHE 44 6.254 4.496 1.237 1.00 0.00 ATOM 368 CB PHE 44 7.742 4.263 0.766 1.00 0.00 ATOM 369 CG PHE 44 7.868 4.048 -0.722 1.00 0.00 ATOM 370 CD1 PHE 44 7.851 5.128 -1.601 1.00 0.00 ATOM 371 CD2 PHE 44 7.987 2.760 -1.245 1.00 0.00 ATOM 372 CE1 PHE 44 7.950 4.930 -2.980 1.00 0.00 ATOM 373 CE2 PHE 44 8.085 2.548 -2.620 1.00 0.00 ATOM 374 CZ PHE 44 8.068 3.635 -3.492 1.00 0.00 ATOM 375 O PHE 44 7.059 5.592 3.222 1.00 0.00 ATOM 376 C PHE 44 6.291 4.762 2.742 1.00 0.00 ATOM 377 N ILE 45 5.436 4.067 3.479 1.00 0.00 ATOM 378 CA ILE 45 5.358 4.241 4.922 1.00 0.00 ATOM 379 CB ILE 45 4.160 4.989 5.447 1.00 0.00 ATOM 380 CG1 ILE 45 3.002 4.047 5.554 1.00 0.00 ATOM 381 CG2 ILE 45 3.769 6.070 4.457 1.00 0.00 ATOM 382 CD1 ILE 45 1.923 4.645 6.451 1.00 0.00 ATOM 383 O ILE 45 5.237 1.878 5.360 1.00 0.00 ATOM 384 C ILE 45 5.752 2.961 5.647 1.00 0.00 ATOM 385 N THR 46 6.675 3.097 6.590 1.00 0.00 ATOM 386 CA THR 46 7.163 1.957 7.348 1.00 0.00 ATOM 387 CB THR 46 8.660 1.702 7.183 1.00 0.00 ATOM 388 CG2 THR 46 9.064 1.619 5.715 1.00 0.00 ATOM 389 OG1 THR 46 9.345 2.789 7.814 1.00 0.00 ATOM 390 O THR 46 6.481 2.963 9.421 1.00 0.00 ATOM 391 C THR 46 6.723 1.929 8.801 1.00 0.00 ATOM 392 N SER 47 6.601 0.706 9.312 1.00 0.00 ATOM 393 CA SER 47 6.252 0.493 10.711 1.00 0.00 ATOM 394 CB SER 47 4.767 0.197 10.863 1.00 0.00 ATOM 395 OG SER 47 4.452 -0.025 12.229 1.00 0.00 ATOM 396 O SER 47 7.088 -1.749 10.599 1.00 0.00 ATOM 397 C SER 47 7.081 -0.685 11.221 1.00 0.00 ATOM 398 N GLU 48 7.792 -0.492 12.327 1.00 0.00 ATOM 399 CA GLU 48 8.615 -1.555 12.896 1.00 0.00 ATOM 400 CB GLU 48 10.110 -1.211 12.786 1.00 0.00 ATOM 401 CG GLU 48 10.634 -0.949 11.381 1.00 0.00 ATOM 402 CD GLU 48 10.982 -2.218 10.590 1.00 0.00 ATOM 403 OE1 GLU 48 11.027 -3.318 11.182 1.00 0.00 ATOM 404 OE2 GLU 48 11.225 -2.103 9.366 1.00 0.00 ATOM 405 O GLU 48 8.142 -0.755 15.098 1.00 0.00 ATOM 406 C GLU 48 8.311 -1.738 14.371 1.00 0.00 ATOM 407 N HIS 49 8.226 -1.391 14.041 1.00 0.00 ATOM 408 CA HIS 49 8.540 -2.712 14.579 1.00 0.00 ATOM 409 CB HIS 49 7.299 -3.609 14.700 1.00 0.00 ATOM 410 CG HIS 49 6.927 -3.894 16.136 1.00 0.00 ATOM 411 CD2 HIS 49 7.403 -4.816 17.017 1.00 0.00 ATOM 412 ND1 HIS 49 6.051 -3.112 16.868 1.00 0.00 ATOM 413 CE1 HIS 49 6.001 -3.540 18.144 1.00 0.00 ATOM 414 NE2 HIS 49 6.825 -4.577 18.256 1.00 0.00 ATOM 415 O HIS 49 10.175 -2.700 12.846 1.00 0.00 ATOM 416 C HIS 49 9.899 -3.062 13.980 1.00 0.00 ATOM 417 N ASN 50 10.737 -3.778 14.718 1.00 0.00 ATOM 418 CA ASN 50 12.063 -4.157 14.216 1.00 0.00 ATOM 419 CB ASN 50 12.829 -4.989 15.244 1.00 0.00 ATOM 420 CG ASN 50 13.596 -4.134 16.231 1.00 0.00 ATOM 421 ND2 ASN 50 14.388 -3.190 15.719 1.00 0.00 ATOM 422 OD1 ASN 50 13.483 -4.320 17.445 1.00 0.00 ATOM 423 O ASN 50 13.040 -4.693 12.104 1.00 0.00 ATOM 424 C ASN 50 12.104 -4.877 12.876 1.00 0.00 ATOM 425 N SER 51 11.148 -5.786 12.653 1.00 0.00 ATOM 426 CA SER 51 11.067 -6.513 11.393 1.00 0.00 ATOM 427 CB SER 51 10.940 -8.015 11.646 1.00 0.00 ATOM 428 OG SER 51 12.102 -8.528 12.271 1.00 0.00 ATOM 429 O SER 51 8.807 -5.815 11.216 1.00 0.00 ATOM 430 C SER 51 9.861 -6.031 10.634 1.00 0.00 ATOM 431 N MET 52 10.046 -5.833 9.334 1.00 0.00 ATOM 432 CA MET 52 8.999 -5.334 8.447 1.00 0.00 ATOM 433 CB MET 52 9.582 -4.982 7.077 1.00 0.00 ATOM 434 CG MET 52 8.580 -4.358 6.119 1.00 0.00 ATOM 435 SD MET 52 9.310 -3.944 4.523 1.00 0.00 ATOM 436 CE MET 52 10.379 -2.584 4.982 1.00 0.00 ATOM 437 O MET 52 8.229 -7.486 7.822 1.00 0.00 ATOM 438 C MET 52 7.944 -6.400 8.274 1.00 0.00 ATOM 439 N THR 53 6.723 -6.087 8.696 1.00 0.00 ATOM 440 CA THR 53 5.649 -7.062 8.607 1.00 0.00 ATOM 441 CB THR 53 4.696 -6.964 9.814 1.00 0.00 ATOM 442 CG2 THR 53 5.453 -7.200 11.112 1.00 0.00 ATOM 443 OG1 THR 53 4.102 -5.659 9.852 1.00 0.00 ATOM 444 O THR 53 4.129 -7.781 6.930 1.00 0.00 ATOM 445 C THR 53 4.807 -6.858 7.342 1.00 0.00 ATOM 446 N GLY 54 4.898 -5.689 6.719 1.00 0.00 ATOM 447 CA GLY 54 4.112 -5.335 5.542 1.00 0.00 ATOM 448 O GLY 54 5.359 -3.249 5.479 1.00 0.00 ATOM 449 C GLY 54 4.512 -4.004 4.929 1.00 0.00 ATOM 450 N PHE 55 3.868 -3.740 3.764 1.00 0.00 ATOM 451 CA PHE 55 4.125 -2.544 2.963 1.00 0.00 ATOM 452 CB PHE 55 4.284 -3.064 1.536 1.00 0.00 ATOM 453 CG PHE 55 5.491 -3.954 1.418 1.00 0.00 ATOM 454 CD1 PHE 55 5.410 -5.312 1.718 1.00 0.00 ATOM 455 CD2 PHE 55 6.714 -3.422 1.013 1.00 0.00 ATOM 456 CE1 PHE 55 6.523 -6.146 1.634 1.00 0.00 ATOM 457 CE2 PHE 55 7.837 -4.241 0.916 1.00 0.00 ATOM 458 CZ PHE 55 7.739 -5.597 1.231 1.00 0.00 ATOM 459 O PHE 55 1.888 -2.468 2.201 1.00 0.00 ATOM 460 C PHE 55 2.878 -1.811 2.495 1.00 0.00 ATOM 461 N LEU 56 2.962 -0.477 2.448 1.00 0.00 ATOM 462 CA LEU 56 1.894 0.343 1.911 1.00 0.00 ATOM 463 CB LEU 56 1.668 1.565 2.805 1.00 0.00 ATOM 464 CG LEU 56 0.429 2.353 2.377 1.00 0.00 ATOM 465 CD1 LEU 56 -0.147 3.176 3.516 1.00 0.00 ATOM 466 CD2 LEU 56 0.824 3.307 1.267 1.00 0.00 ATOM 467 O LEU 56 3.580 1.514 0.698 1.00 0.00 ATOM 468 C LEU 56 2.556 0.860 0.614 1.00 0.00 ATOM 469 N ILE 57 2.033 0.575 -0.571 1.00 0.00 ATOM 470 CA ILE 57 2.634 0.907 -1.856 1.00 0.00 ATOM 471 CB ILE 57 2.994 -0.424 -2.536 1.00 0.00 ATOM 472 CG1 ILE 57 4.106 -1.110 -1.764 1.00 0.00 ATOM 473 CG2 ILE 57 3.487 -0.179 -3.956 1.00 0.00 ATOM 474 CD1 ILE 57 4.356 -2.489 -2.354 1.00 0.00 ATOM 475 O ILE 57 0.407 1.091 -2.669 1.00 0.00 ATOM 476 C ILE 57 1.557 1.534 -2.706 1.00 0.00 ATOM 477 N GLY 58 1.901 2.546 -3.474 1.00 0.00 ATOM 478 CA GLY 58 0.877 3.175 -4.281 1.00 0.00 ATOM 479 O GLY 58 2.607 3.979 -5.724 1.00 0.00 ATOM 480 C GLY 58 1.547 3.385 -5.619 1.00 0.00 ATOM 481 N PHE 59 0.949 2.807 -6.610 1.00 0.00 ATOM 482 CA PHE 59 1.427 2.839 -8.021 1.00 0.00 ATOM 483 CB PHE 59 1.383 1.427 -8.560 1.00 0.00 ATOM 484 CG PHE 59 1.727 1.259 -10.033 1.00 0.00 ATOM 485 CD1 PHE 59 0.704 1.376 -10.994 1.00 0.00 ATOM 486 CD2 PHE 59 2.980 0.872 -10.418 1.00 0.00 ATOM 487 CE1 PHE 59 1.005 1.222 -12.330 1.00 0.00 ATOM 488 CE2 PHE 59 3.265 0.721 -11.759 1.00 0.00 ATOM 489 CZ PHE 59 2.292 0.868 -12.733 1.00 0.00 ATOM 490 O PHE 59 -0.807 3.398 -8.544 1.00 0.00 ATOM 491 C PHE 59 0.347 3.706 -8.748 1.00 0.00 ATOM 492 N GLN 60 0.850 4.706 -9.436 1.00 0.00 ATOM 493 CA GLN 60 0.001 5.633 -10.166 1.00 0.00 ATOM 494 CB GLN 60 0.122 7.043 -9.584 1.00 0.00 ATOM 495 CG GLN 60 -0.738 8.082 -10.284 1.00 0.00 ATOM 496 CD GLN 60 -0.641 9.450 -9.640 1.00 0.00 ATOM 497 OE1 GLN 60 0.088 9.639 -8.667 1.00 0.00 ATOM 498 NE2 GLN 60 -1.378 10.412 -10.184 1.00 0.00 ATOM 499 O GLN 60 1.557 5.979 -11.950 1.00 0.00 ATOM 500 C GLN 60 0.404 5.681 -11.630 1.00 0.00 ATOM 501 N SER 61 -0.550 5.377 -12.509 1.00 0.00 ATOM 502 CA SER 61 -0.322 5.381 -13.955 1.00 0.00 ATOM 503 CB SER 61 -1.177 4.311 -14.636 1.00 0.00 ATOM 504 OG SER 61 -0.795 3.010 -14.218 1.00 0.00 ATOM 505 O SER 61 -1.666 7.353 -14.177 1.00 0.00 ATOM 506 C SER 61 -0.678 6.730 -14.566 1.00 0.00 ATOM 507 N GLN 62 0.129 7.164 -15.528 1.00 0.00 ATOM 508 CA GLN 62 -0.089 8.441 -16.206 1.00 0.00 ATOM 509 CB GLN 62 1.146 8.834 -17.021 1.00 0.00 ATOM 510 CG GLN 62 2.373 9.139 -16.178 1.00 0.00 ATOM 511 CD GLN 62 3.593 9.458 -17.022 1.00 0.00 ATOM 512 OE1 GLN 62 3.533 9.429 -18.250 1.00 0.00 ATOM 513 NE2 GLN 62 4.702 9.764 -16.361 1.00 0.00 ATOM 514 O GLN 62 -1.797 9.413 -17.589 1.00 0.00 ATOM 515 C GLN 62 -1.281 8.381 -17.164 1.00 0.00 ATOM 516 N SER 63 -1.734 7.178 -17.520 1.00 0.00 ATOM 517 CA SER 63 -2.849 6.988 -18.438 1.00 0.00 ATOM 518 CB SER 63 -3.114 5.478 -18.562 1.00 0.00 ATOM 519 OG SER 63 -4.257 5.228 -19.370 1.00 0.00 ATOM 520 O SER 63 -4.695 8.559 -18.904 1.00 0.00 ATOM 521 C SER 63 -4.179 7.723 -18.129 1.00 0.00 ATOM 522 N ASP 64 -4.670 7.477 -16.929 1.00 0.00 ATOM 523 CA ASP 64 -5.954 8.031 -16.515 1.00 0.00 ATOM 524 CB ASP 64 -6.735 6.898 -15.884 1.00 0.00 ATOM 525 CG ASP 64 -7.002 5.708 -16.897 1.00 0.00 ATOM 526 OD1 ASP 64 -7.444 5.999 -18.002 1.00 0.00 ATOM 527 OD2 ASP 64 -6.789 4.541 -16.541 1.00 0.00 ATOM 528 O ASP 64 -4.874 9.227 -14.720 1.00 0.00 ATOM 529 C ASP 64 -5.816 9.203 -15.522 1.00 0.00 ATOM 530 N PRO 65 -6.693 10.188 -15.592 1.00 0.00 ATOM 531 CA PRO 65 -6.610 11.334 -14.660 1.00 0.00 ATOM 532 CB PRO 65 -7.808 12.202 -15.006 1.00 0.00 ATOM 533 CG PRO 65 -8.164 11.728 -16.456 1.00 0.00 ATOM 534 CD PRO 65 -7.807 10.322 -16.555 1.00 0.00 ATOM 535 O PRO 65 -7.475 9.844 -12.975 1.00 0.00 ATOM 536 C PRO 65 -6.759 10.827 -13.238 1.00 0.00 ATOM 537 N GLU 66 -4.159 11.205 -13.786 1.00 0.00 ATOM 538 CA GLU 66 -3.380 10.270 -13.010 1.00 0.00 ATOM 539 CB GLU 66 -2.270 10.980 -12.249 1.00 0.00 ATOM 540 CG GLU 66 -0.906 10.407 -12.551 1.00 0.00 ATOM 541 CD GLU 66 -0.346 10.924 -13.852 1.00 0.00 ATOM 542 OE1 GLU 66 0.209 12.041 -13.839 1.00 0.00 ATOM 543 OE2 GLU 66 -0.472 10.229 -14.887 1.00 0.00 ATOM 544 O GLU 66 -5.223 10.055 -11.449 1.00 0.00 ATOM 545 C GLU 66 -4.318 9.489 -12.083 1.00 0.00 ATOM 546 N THR 67 -4.113 8.186 -12.010 1.00 0.00 ATOM 547 CA THR 67 -4.899 7.388 -11.102 1.00 0.00 ATOM 548 CB THR 67 -5.697 6.314 -11.854 1.00 0.00 ATOM 549 CG2 THR 67 -6.493 5.453 -10.885 1.00 0.00 ATOM 550 OG1 THR 67 -6.600 6.972 -12.752 1.00 0.00 ATOM 551 O THR 67 -2.905 6.096 -10.587 1.00 0.00 ATOM 552 C THR 67 -3.923 6.662 -10.141 1.00 0.00 ATOM 553 N ALA 68 -4.214 6.733 -8.851 1.00 0.00 ATOM 554 CA ALA 68 -3.359 6.029 -7.888 1.00 0.00 ATOM 555 CB ALA 68 -3.301 6.816 -6.576 1.00 0.00 ATOM 556 O ALA 68 -5.225 4.570 -7.489 1.00 0.00 ATOM 557 C ALA 68 -3.988 4.669 -7.575 1.00 0.00 ATOM 558 N TYR 69 -3.144 3.647 -7.372 1.00 0.00 ATOM 559 CA TYR 69 -3.604 2.290 -7.057 1.00 0.00 ATOM 560 CB TYR 69 -2.749 1.451 -8.146 1.00 0.00 ATOM 561 CG TYR 69 -3.246 1.718 -9.524 1.00 0.00 ATOM 562 CD1 TYR 69 -4.384 1.091 -10.023 1.00 0.00 ATOM 563 CD2 TYR 69 -2.600 2.642 -10.322 1.00 0.00 ATOM 564 CE1 TYR 69 -4.853 1.400 -11.304 1.00 0.00 ATOM 565 CE2 TYR 69 -3.054 2.951 -11.574 1.00 0.00 ATOM 566 CZ TYR 69 -4.179 2.331 -12.056 1.00 0.00 ATOM 567 OH TYR 69 -4.607 2.726 -13.286 1.00 0.00 ATOM 568 O TYR 69 -1.707 1.672 -5.754 1.00 0.00 ATOM 569 C TYR 69 -2.914 1.903 -5.744 1.00 0.00 ATOM 570 N ILE 70 -3.666 1.855 -4.643 1.00 0.00 ATOM 571 CA ILE 70 -3.056 1.494 -3.367 1.00 0.00 ATOM 572 CB ILE 70 -3.890 2.067 -2.194 1.00 0.00 ATOM 573 CG1 ILE 70 -3.501 3.537 -2.005 1.00 0.00 ATOM 574 CG2 ILE 70 -3.633 1.276 -0.927 1.00 0.00 ATOM 575 CD1 ILE 70 -4.309 4.285 -1.010 1.00 0.00 ATOM 576 O ILE 70 -3.866 -0.731 -3.465 1.00 0.00 ATOM 577 C ILE 70 -2.907 -0.022 -3.281 1.00 0.00 ATOM 578 N HIS 71 -1.694 -0.506 -3.030 1.00 0.00 ATOM 579 CA HIS 71 -1.398 -1.936 -2.977 1.00 0.00 ATOM 580 CB HIS 71 -0.363 -2.188 -4.151 1.00 0.00 ATOM 581 CG HIS 71 -0.930 -1.904 -5.506 1.00 0.00 ATOM 582 CD2 HIS 71 -0.698 -0.895 -6.379 1.00 0.00 ATOM 583 ND1 HIS 71 -1.885 -2.706 -6.094 1.00 0.00 ATOM 584 CE1 HIS 71 -2.216 -2.202 -7.271 1.00 0.00 ATOM 585 NE2 HIS 71 -1.511 -1.103 -7.465 1.00 0.00 ATOM 586 O HIS 71 -0.002 -1.469 -1.084 1.00 0.00 ATOM 587 C HIS 71 -0.624 -2.327 -1.723 1.00 0.00 ATOM 588 N PHE 72 -0.639 -3.631 -1.412 1.00 0.00 ATOM 589 CA PHE 72 0.128 -4.215 -0.307 1.00 0.00 ATOM 590 CB PHE 72 1.681 -4.174 -0.939 1.00 0.00 ATOM 591 CG PHE 72 1.828 -4.951 -2.228 1.00 0.00 ATOM 592 CD1 PHE 72 1.785 -6.363 -2.185 1.00 0.00 ATOM 593 CD2 PHE 72 1.998 -4.319 -3.458 1.00 0.00 ATOM 594 CE1 PHE 72 1.905 -7.123 -3.373 1.00 0.00 ATOM 595 CE2 PHE 72 2.114 -5.039 -4.627 1.00 0.00 ATOM 596 CZ PHE 72 2.031 -6.444 -4.591 1.00 0.00 ATOM 597 O PHE 72 1.242 -3.172 1.566 1.00 0.00 ATOM 598 C PHE 72 0.173 -3.525 1.046 1.00 0.00 ATOM 599 N SER 73 -1.000 -3.348 1.629 1.00 0.00 ATOM 600 CA SER 73 -1.087 -2.698 2.906 1.00 0.00 ATOM 601 CB SER 73 -2.273 -1.797 3.138 1.00 0.00 ATOM 602 OG SER 73 -2.433 -0.810 2.121 1.00 0.00 ATOM 603 O SER 73 -1.504 -4.630 4.094 1.00 0.00 ATOM 604 C SER 73 -0.835 -3.650 4.013 1.00 0.00 ATOM 605 N GLY 74 0.114 -3.367 4.888 1.00 0.00 ATOM 606 CA GLY 74 0.347 -4.298 5.984 1.00 0.00 ATOM 607 O GLY 74 1.811 -2.775 7.171 1.00 0.00 ATOM 608 C GLY 74 0.832 -3.551 7.215 1.00 0.00 ATOM 609 N VAL 75 0.114 -3.763 8.305 1.00 0.00 ATOM 610 CA VAL 75 0.482 -3.192 9.569 1.00 0.00 ATOM 611 CB VAL 75 -0.749 -2.721 10.297 1.00 0.00 ATOM 612 CG1 VAL 75 -0.353 -2.261 11.673 1.00 0.00 ATOM 613 CG2 VAL 75 -1.437 -1.567 9.484 1.00 0.00 ATOM 614 O VAL 75 0.724 -5.457 10.372 1.00 0.00 ATOM 615 C VAL 75 1.199 -4.326 10.315 1.00 0.00 ATOM 616 N HIS 76 2.375 -4.034 10.854 1.00 0.00 ATOM 617 CA HIS 76 3.145 -5.066 11.537 1.00 0.00 ATOM 618 CB HIS 76 4.379 -4.448 12.183 1.00 0.00 ATOM 619 CG HIS 76 5.378 -5.422 12.737 1.00 0.00 ATOM 620 CD2 HIS 76 6.601 -5.765 12.222 1.00 0.00 ATOM 621 ND1 HIS 76 5.171 -6.154 13.880 1.00 0.00 ATOM 622 CE1 HIS 76 6.243 -6.927 14.061 1.00 0.00 ATOM 623 NE2 HIS 76 7.105 -6.694 13.095 1.00 0.00 ATOM 624 O HIS 76 1.558 -5.169 13.327 1.00 0.00 ATOM 625 C HIS 76 2.278 -5.795 12.558 1.00 0.00 ATOM 626 N PRO 77 2.346 -7.125 12.558 1.00 0.00 ATOM 627 CA PRO 77 1.551 -7.901 13.502 1.00 0.00 ATOM 628 CB PRO 77 1.903 -9.341 13.147 1.00 0.00 ATOM 629 CG PRO 77 3.253 -9.242 12.515 1.00 0.00 ATOM 630 CD PRO 77 3.203 -7.968 11.702 1.00 0.00 ATOM 631 O PRO 77 0.906 -7.585 15.756 1.00 0.00 ATOM 632 C PRO 77 1.833 -7.545 14.937 1.00 0.00 ATOM 633 N ASP 78 3.090 -6.995 15.162 1.00 0.00 ATOM 634 CA ASP 78 3.537 -6.696 16.519 1.00 0.00 ATOM 635 CB ASP 78 5.116 -6.830 16.478 1.00 0.00 ATOM 636 CG ASP 78 5.494 -8.312 16.295 1.00 0.00 ATOM 637 OD1 ASP 78 4.884 -9.153 16.941 1.00 0.00 ATOM 638 OD2 ASP 78 6.381 -8.558 15.447 1.00 0.00 ATOM 639 O ASP 78 3.688 -4.704 17.854 1.00 0.00 ATOM 640 C ASP 78 3.198 -5.254 16.865 1.00 0.00 ATOM 641 N PHE 79 2.344 -4.653 16.043 1.00 0.00 ATOM 642 CA PHE 79 1.907 -3.274 16.240 1.00 0.00 ATOM 643 CB PHE 79 3.091 -2.340 16.312 1.00 0.00 ATOM 644 CG PHE 79 2.774 -0.880 16.588 1.00 0.00 ATOM 645 CD1 PHE 79 2.016 -0.509 17.696 1.00 0.00 ATOM 646 CD2 PHE 79 3.274 0.098 15.740 1.00 0.00 ATOM 647 CE1 PHE 79 1.773 0.851 17.914 1.00 0.00 ATOM 648 CE2 PHE 79 3.017 1.427 15.965 1.00 0.00 ATOM 649 CZ PHE 79 2.260 1.814 17.054 1.00 0.00 ATOM 650 O PHE 79 -0.132 -2.500 15.246 1.00 0.00 ATOM 651 C PHE 79 0.401 -3.234 16.077 1.00 0.00 ATOM 652 N ARG 80 -0.281 -4.030 16.886 1.00 0.00 ATOM 653 CA ARG 80 -1.726 -4.126 16.818 1.00 0.00 ATOM 654 CB ARG 80 -2.369 -5.435 16.580 1.00 0.00 ATOM 655 CG ARG 80 -1.615 -6.431 15.730 1.00 0.00 ATOM 656 CD ARG 80 -2.291 -7.788 15.703 1.00 0.00 ATOM 657 NE ARG 80 -1.760 -8.612 14.618 1.00 0.00 ATOM 658 CZ ARG 80 -1.922 -9.928 14.511 1.00 0.00 ATOM 659 NH1 ARG 80 -2.604 -10.604 15.427 1.00 0.00 ATOM 660 NH2 ARG 80 -1.412 -10.574 13.471 1.00 0.00 ATOM 661 O ARG 80 -3.573 -3.278 18.094 1.00 0.00 ATOM 662 C ARG 80 -2.476 -3.044 17.586 1.00 0.00 ATOM 663 N LYS 81 -1.891 -1.851 17.661 1.00 0.00 ATOM 664 CA LYS 81 -2.548 -0.745 18.345 1.00 0.00 ATOM 665 CB LYS 81 -1.673 0.277 18.929 1.00 0.00 ATOM 666 CG LYS 81 -0.858 -0.165 20.120 1.00 0.00 ATOM 667 CD LYS 81 -1.743 -0.636 21.272 1.00 0.00 ATOM 668 CE LYS 81 -0.915 -1.190 22.427 1.00 0.00 ATOM 669 NZ LYS 81 -0.039 -2.340 22.026 1.00 0.00 ATOM 670 O LYS 81 -3.467 0.003 16.251 1.00 0.00 ATOM 671 C LYS 81 -3.675 -0.254 17.439 1.00 0.00 ATOM 672 N MET 82 -4.871 -0.144 18.003 1.00 0.00 ATOM 673 CA MET 82 -6.034 0.300 17.248 1.00 0.00 ATOM 674 CB MET 82 -6.945 0.947 18.513 1.00 0.00 ATOM 675 CG MET 82 -8.218 1.625 18.022 1.00 0.00 ATOM 676 SD MET 82 -9.359 2.110 19.346 1.00 0.00 ATOM 677 CE MET 82 -10.107 0.524 19.753 1.00 0.00 ATOM 678 O MET 82 -5.193 2.552 16.988 1.00 0.00 ATOM 679 C MET 82 -5.800 1.603 16.474 1.00 0.00 ATOM 680 N GLN 83 -6.270 1.629 15.228 1.00 0.00 ATOM 681 CA GLN 83 -6.142 2.828 14.422 1.00 0.00 ATOM 682 CB GLN 83 -6.437 4.151 14.943 1.00 0.00 ATOM 683 CG GLN 83 -7.577 4.324 15.961 1.00 0.00 ATOM 684 CD GLN 83 -7.423 5.566 16.841 1.00 0.00 ATOM 685 OE1 GLN 83 -6.309 6.020 17.111 1.00 0.00 ATOM 686 NE2 GLN 83 -8.549 6.106 17.307 1.00 0.00 ATOM 687 O GLN 83 -5.328 3.618 12.350 1.00 0.00 ATOM 688 C GLN 83 -5.105 2.910 13.322 1.00 0.00 ATOM 689 N ILE 84 -3.988 2.200 13.450 1.00 0.00 ATOM 690 CA ILE 84 -2.926 2.269 12.448 1.00 0.00 ATOM 691 CB ILE 84 -1.748 1.303 12.825 1.00 0.00 ATOM 692 CG1 ILE 84 -1.176 1.645 14.207 1.00 0.00 ATOM 693 CG2 ILE 84 -0.633 1.357 11.781 1.00 0.00 ATOM 694 CD1 ILE 84 -0.600 3.047 14.310 1.00 0.00 ATOM 695 O ILE 84 -3.026 2.783 10.101 1.00 0.00 ATOM 696 C ILE 84 -3.366 2.009 11.003 1.00 0.00 ATOM 697 N GLY 85 -4.107 0.923 10.787 1.00 0.00 ATOM 698 CA GLY 85 -4.562 0.588 9.446 1.00 0.00 ATOM 699 O GLY 85 -5.206 2.133 7.733 1.00 0.00 ATOM 700 C GLY 85 -5.407 1.696 8.862 1.00 0.00 ATOM 701 N LYS 86 -6.346 2.191 9.649 1.00 0.00 ATOM 702 CA LYS 86 -7.208 3.269 9.195 1.00 0.00 ATOM 703 CB LYS 86 -8.313 3.535 10.223 1.00 0.00 ATOM 704 CG LYS 86 -9.205 4.716 9.875 1.00 0.00 ATOM 705 CD LYS 86 -10.355 4.862 10.859 1.00 0.00 ATOM 706 CE LYS 86 -10.913 6.274 10.827 1.00 0.00 ATOM 707 NZ LYS 86 -12.382 6.305 11.057 1.00 0.00 ATOM 708 O LYS 86 -6.452 5.150 7.914 1.00 0.00 ATOM 709 C LYS 86 -6.386 4.540 8.978 1.00 0.00 ATOM 710 N GLN 87 -5.606 4.925 9.987 1.00 0.00 ATOM 711 CA GLN 87 -4.783 6.135 9.915 1.00 0.00 ATOM 712 CB GLN 87 -4.029 6.358 11.229 1.00 0.00 ATOM 713 CG GLN 87 -4.699 5.763 12.451 1.00 0.00 ATOM 714 CD GLN 87 -3.839 5.858 13.698 1.00 0.00 ATOM 715 OE1 GLN 87 -4.105 5.194 14.703 1.00 0.00 ATOM 716 NE2 GLN 87 -2.800 6.688 13.641 1.00 0.00 ATOM 717 O GLN 87 -3.595 7.130 8.092 1.00 0.00 ATOM 718 C GLN 87 -3.773 6.124 8.775 1.00 0.00 ATOM 719 N LEU 88 -3.106 4.987 8.582 1.00 0.00 ATOM 720 CA LEU 88 -2.096 4.877 7.517 1.00 0.00 ATOM 721 CB LEU 88 -1.370 3.533 7.573 1.00 0.00 ATOM 722 CG LEU 88 -0.359 3.306 6.440 1.00 0.00 ATOM 723 CD1 LEU 88 0.821 4.329 6.469 1.00 0.00 ATOM 724 CD2 LEU 88 0.136 1.905 6.530 1.00 0.00 ATOM 725 O LEU 88 -2.190 5.903 5.317 1.00 0.00 ATOM 726 C LEU 88 -2.707 5.105 6.125 1.00 0.00 ATOM 727 N TYR 89 -3.813 4.428 5.864 1.00 0.00 ATOM 728 CA TYR 89 -4.502 4.569 4.597 1.00 0.00 ATOM 729 CB TYR 89 -5.661 3.705 4.361 1.00 0.00 ATOM 730 CG TYR 89 -5.291 2.297 3.918 1.00 0.00 ATOM 731 CD1 TYR 89 -4.648 1.422 4.789 1.00 0.00 ATOM 732 CD2 TYR 89 -5.553 1.858 2.612 1.00 0.00 ATOM 733 CE1 TYR 89 -4.263 0.122 4.364 1.00 0.00 ATOM 734 CE2 TYR 89 -5.167 0.574 2.174 1.00 0.00 ATOM 735 CZ TYR 89 -4.527 -0.276 3.054 1.00 0.00 ATOM 736 OH TYR 89 -4.140 -1.514 2.629 1.00 0.00 ATOM 737 O TYR 89 -4.644 6.650 3.412 1.00 0.00 ATOM 738 C TYR 89 -4.912 6.031 4.443 1.00 0.00 ATOM 739 N ASP 90 -5.532 6.603 5.461 1.00 0.00 ATOM 740 CA ASP 90 -5.956 7.995 5.363 1.00 0.00 ATOM 741 CB ASP 90 -6.574 8.474 6.663 1.00 0.00 ATOM 742 CG ASP 90 -8.015 7.964 6.843 1.00 0.00 ATOM 743 OD1 ASP 90 -8.504 7.256 5.934 1.00 0.00 ATOM 744 OD2 ASP 90 -8.649 8.268 7.888 1.00 0.00 ATOM 745 O ASP 90 -5.026 9.786 4.150 1.00 0.00 ATOM 746 C ASP 90 -4.842 8.893 4.969 1.00 0.00 ATOM 747 N VAL 91 -3.694 8.680 5.541 1.00 0.00 ATOM 748 CA VAL 91 -2.477 9.479 5.193 1.00 0.00 ATOM 749 CB VAL 91 -1.419 9.294 6.298 1.00 0.00 ATOM 750 CG1 VAL 91 -0.073 9.994 6.046 1.00 0.00 ATOM 751 CG2 VAL 91 -1.931 9.648 7.669 1.00 0.00 ATOM 752 O VAL 91 -1.700 10.033 2.989 1.00 0.00 ATOM 753 C VAL 91 -2.055 9.135 3.782 1.00 0.00 ATOM 754 N PHE 92 -2.146 7.850 3.421 1.00 0.00 ATOM 755 CA PHE 92 -1.745 7.509 2.029 1.00 0.00 ATOM 756 CB PHE 92 -1.588 5.998 1.815 1.00 0.00 ATOM 757 CG PHE 92 -0.162 5.641 2.179 1.00 0.00 ATOM 758 CD1 PHE 92 0.145 5.484 3.530 1.00 0.00 ATOM 759 CD2 PHE 92 0.774 5.473 1.178 1.00 0.00 ATOM 760 CE1 PHE 92 1.461 5.119 3.872 1.00 0.00 ATOM 761 CE2 PHE 92 2.069 5.174 1.515 1.00 0.00 ATOM 762 CZ PHE 92 2.399 4.994 2.844 1.00 0.00 ATOM 763 O PHE 92 -2.207 8.543 -0.070 1.00 0.00 ATOM 764 C PHE 92 -2.679 8.082 0.984 1.00 0.00 ATOM 765 N ILE 93 -3.969 7.972 1.258 1.00 0.00 ATOM 766 CA ILE 93 -5.010 8.481 0.368 1.00 0.00 ATOM 767 CB ILE 93 -6.417 8.120 0.928 1.00 0.00 ATOM 768 CG1 ILE 93 -6.609 6.602 0.871 1.00 0.00 ATOM 769 CG2 ILE 93 -7.520 8.820 0.131 1.00 0.00 ATOM 770 CD1 ILE 93 -7.940 6.118 1.435 1.00 0.00 ATOM 771 O ILE 93 -4.968 10.476 -0.969 1.00 0.00 ATOM 772 C ILE 93 -4.894 9.989 0.159 1.00 0.00 ATOM 773 N GLU 94 -4.696 10.725 1.245 1.00 0.00 ATOM 774 CA GLU 94 -4.574 12.174 1.175 1.00 0.00 ATOM 775 CB GLU 94 -4.523 12.759 2.589 1.00 0.00 ATOM 776 CG GLU 94 -5.201 14.113 2.736 1.00 0.00 ATOM 777 CD GLU 94 -6.687 14.058 2.427 1.00 0.00 ATOM 778 OE1 GLU 94 -7.095 14.605 1.380 1.00 0.00 ATOM 779 OE2 GLU 94 -7.447 13.469 3.229 1.00 0.00 ATOM 780 O GLU 94 -3.364 13.556 -0.381 1.00 0.00 ATOM 781 C GLU 94 -3.327 12.601 0.397 1.00 0.00 ATOM 782 N THR 95 -2.222 11.889 0.603 1.00 0.00 ATOM 783 CA THR 95 -0.977 12.225 -0.071 1.00 0.00 ATOM 784 CB THR 95 0.209 11.439 0.537 1.00 0.00 ATOM 785 CG2 THR 95 1.524 11.829 -0.141 1.00 0.00 ATOM 786 OG1 THR 95 0.310 11.739 1.934 1.00 0.00 ATOM 787 O THR 95 -0.608 12.761 -2.386 1.00 0.00 ATOM 788 C THR 95 -1.062 11.954 -1.570 1.00 0.00 ATOM 789 N VAL 96 -1.639 10.832 -1.934 1.00 0.00 ATOM 790 CA VAL 96 -1.780 10.483 -3.365 1.00 0.00 ATOM 791 CB VAL 96 -2.372 9.046 -3.534 1.00 0.00 ATOM 792 CG1 VAL 96 -2.880 8.827 -4.979 1.00 0.00 ATOM 793 CG2 VAL 96 -1.287 8.005 -3.229 1.00 0.00 ATOM 794 O VAL 96 -2.480 11.990 -5.139 1.00 0.00 ATOM 795 C VAL 96 -2.716 11.502 -4.025 1.00 0.00 ATOM 796 N LYS 97 -3.804 11.812 -3.335 1.00 0.00 ATOM 797 CA LYS 97 -4.773 12.795 -3.809 1.00 0.00 ATOM 798 CB LYS 97 -5.901 12.926 -2.780 1.00 0.00 ATOM 799 CG LYS 97 -7.233 12.463 -3.229 1.00 0.00 ATOM 800 CD LYS 97 -7.679 13.242 -4.460 1.00 0.00 ATOM 801 CE LYS 97 -9.083 12.812 -4.887 1.00 0.00 ATOM 802 NZ LYS 97 -9.612 13.596 -6.054 1.00 0.00 ATOM 803 O LYS 97 -4.371 14.853 -5.012 1.00 0.00 ATOM 804 C LYS 97 -4.108 14.163 -4.018 1.00 0.00 ATOM 805 N GLN 98 -3.268 14.543 -3.043 1.00 0.00 ATOM 806 CA GLN 98 -2.542 15.808 -3.089 1.00 0.00 ATOM 807 CB GLN 98 -1.845 16.066 -1.745 1.00 0.00 ATOM 808 CG GLN 98 -1.420 17.521 -1.520 1.00 0.00 ATOM 809 CD GLN 98 -2.594 18.467 -1.321 1.00 0.00 ATOM 810 OE1 GLN 98 -3.754 18.083 -1.473 1.00 0.00 ATOM 811 NE2 GLN 98 -2.296 19.715 -0.976 1.00 0.00 ATOM 812 O GLN 98 -1.394 16.869 -4.905 1.00 0.00 ATOM 813 C GLN 98 -1.528 15.847 -4.234 1.00 0.00 ATOM 814 N ARG 99 -0.810 14.750 -4.466 1.00 0.00 ATOM 815 CA ARG 99 0.153 14.750 -5.560 1.00 0.00 ATOM 816 CB ARG 99 1.032 13.490 -5.546 1.00 0.00 ATOM 817 CG ARG 99 2.198 13.591 -6.530 1.00 0.00 ATOM 818 CD ARG 99 3.137 12.390 -6.486 1.00 0.00 ATOM 819 NE ARG 99 2.517 11.175 -7.003 1.00 0.00 ATOM 820 CZ ARG 99 3.127 9.996 -7.073 1.00 0.00 ATOM 821 NH1 ARG 99 4.383 9.867 -6.657 1.00 0.00 ATOM 822 NH2 ARG 99 2.483 8.939 -7.552 1.00 0.00 ATOM 823 O ARG 99 -0.152 15.454 -7.836 1.00 0.00 ATOM 824 C ARG 99 -0.610 14.833 -6.878 1.00 0.00 ATOM 825 N GLY 100 -4.138 14.123 -7.531 1.00 0.00 ATOM 826 CA GLY 100 -5.117 14.332 -8.577 1.00 0.00 ATOM 827 O GLY 100 -6.401 13.078 -10.176 1.00 0.00 ATOM 828 C GLY 100 -5.734 13.054 -9.134 1.00 0.00 ATOM 829 N CYS 101 -5.545 11.923 -8.452 1.00 0.00 ATOM 830 CA CYS 101 -6.151 10.697 -8.924 1.00 0.00 ATOM 831 CB CYS 101 -5.806 9.530 -7.969 1.00 0.00 ATOM 832 SG CYS 101 -4.065 8.986 -8.092 1.00 0.00 ATOM 833 O CYS 101 -8.309 11.273 -8.042 1.00 0.00 ATOM 834 C CYS 101 -7.678 10.798 -8.990 1.00 0.00 ATOM 835 N THR 102 -8.283 10.336 -10.079 1.00 0.00 ATOM 836 CA THR 102 -9.762 10.370 -10.207 1.00 0.00 ATOM 837 CB THR 102 -10.215 10.491 -11.677 1.00 0.00 ATOM 838 CG2 THR 102 -9.181 11.261 -12.469 1.00 0.00 ATOM 839 OG1 THR 102 -10.501 9.241 -12.301 1.00 0.00 ATOM 840 O THR 102 -11.534 9.016 -9.210 1.00 0.00 ATOM 841 C THR 102 -10.333 9.117 -9.495 1.00 0.00 ATOM 842 N ARG 103 -9.476 8.147 -9.265 1.00 0.00 ATOM 843 CA ARG 103 -9.915 6.966 -8.502 1.00 0.00 ATOM 844 CB ARG 103 -9.998 5.841 -9.515 1.00 0.00 ATOM 845 CG ARG 103 -10.472 4.549 -8.826 1.00 0.00 ATOM 846 CD ARG 103 -10.521 3.398 -9.817 1.00 0.00 ATOM 847 NE ARG 103 -11.523 3.582 -10.847 1.00 0.00 ATOM 848 CZ ARG 103 -12.815 3.297 -10.683 1.00 0.00 ATOM 849 NH1 ARG 103 -13.270 2.821 -9.535 1.00 0.00 ATOM 850 NH2 ARG 103 -13.651 3.494 -11.676 1.00 0.00 ATOM 851 O ARG 103 -7.600 6.413 -8.292 1.00 0.00 ATOM 852 C ARG 103 -8.736 6.266 -7.869 1.00 0.00 ATOM 853 N VAL 104 -8.994 5.508 -6.824 1.00 0.00 ATOM 854 CA VAL 104 -7.922 4.713 -6.182 1.00 0.00 ATOM 855 CB VAL 104 -7.237 5.492 -4.998 1.00 0.00 ATOM 856 CG1 VAL 104 -6.610 6.765 -5.514 1.00 0.00 ATOM 857 CG2 VAL 104 -8.281 5.821 -3.926 1.00 0.00 ATOM 858 O VAL 104 -9.531 3.086 -5.400 1.00 0.00 ATOM 859 C VAL 104 -8.487 3.289 -6.040 1.00 0.00 ATOM 860 N LYS 105 -7.898 2.341 -6.740 1.00 0.00 ATOM 861 CA LYS 105 -8.306 0.955 -6.613 1.00 0.00 ATOM 862 CB LYS 105 -8.123 0.260 -7.946 1.00 0.00 ATOM 863 CG LYS 105 -8.228 -1.261 -7.799 1.00 0.00 ATOM 864 CD LYS 105 -8.598 -1.912 -9.137 1.00 0.00 ATOM 865 CE LYS 105 -8.082 -3.348 -9.385 1.00 0.00 ATOM 866 NZ LYS 105 -6.627 -3.334 -9.591 1.00 0.00 ATOM 867 O LYS 105 -6.076 0.619 -5.754 1.00 0.00 ATOM 868 C LYS 105 -7.293 0.309 -5.677 1.00 0.00 ATOM 869 N CYS 106 -7.744 -0.596 -4.807 1.00 0.00 ATOM 870 CA CYS 106 -6.851 -1.223 -3.835 1.00 0.00 ATOM 871 CB CYS 106 -7.142 -0.754 -2.408 1.00 0.00 ATOM 872 SG CYS 106 -7.236 1.041 -2.157 1.00 0.00 ATOM 873 O CYS 106 -8.190 -3.175 -4.167 1.00 0.00 ATOM 874 C CYS 106 -7.081 -2.718 -3.889 1.00 0.00 ATOM 875 N VAL 107 -6.037 -3.484 -3.610 1.00 0.00 ATOM 876 CA VAL 107 -6.170 -4.927 -3.614 1.00 0.00 ATOM 877 CB VAL 107 -5.447 -5.544 -4.841 1.00 0.00 ATOM 878 CG1 VAL 107 -3.938 -5.421 -4.697 1.00 0.00 ATOM 879 CG2 VAL 107 -5.870 -6.978 -5.011 1.00 0.00 ATOM 880 O VAL 107 -4.639 -4.991 -1.757 1.00 0.00 ATOM 881 C VAL 107 -5.618 -5.497 -2.308 1.00 0.00 ATOM 882 N THR 108 -6.274 -6.532 -1.801 1.00 0.00 ATOM 883 CA THR 108 -5.842 -7.164 -0.567 1.00 0.00 ATOM 884 CB THR 108 -6.851 -6.819 0.598 1.00 0.00 ATOM 885 CG2 THR 108 -6.447 -7.456 1.972 1.00 0.00 ATOM 886 OG1 THR 108 -6.948 -5.382 0.744 1.00 0.00 ATOM 887 O THR 108 -6.673 -9.329 -1.149 1.00 0.00 ATOM 888 C THR 108 -5.709 -8.664 -0.778 1.00 0.00 ATOM 889 N SER 109 -4.509 -9.177 -0.566 1.00 0.00 ATOM 890 CA SER 109 -4.244 -10.615 -0.698 1.00 0.00 ATOM 891 CB SER 109 -3.135 -10.866 -1.720 1.00 0.00 ATOM 892 OG SER 109 -1.889 -10.378 -1.252 1.00 0.00 ATOM 893 O SER 109 -3.529 -10.369 1.588 1.00 0.00 ATOM 894 C SER 109 -3.811 -11.142 0.674 1.00 0.00 ATOM 895 N PRO 110 -3.760 -12.451 0.859 1.00 0.00 ATOM 896 CA PRO 110 -3.488 -13.020 2.185 1.00 0.00 ATOM 897 CB PRO 110 -4.050 -14.442 2.097 1.00 0.00 ATOM 898 CG PRO 110 -3.910 -14.810 0.658 1.00 0.00 ATOM 899 CD PRO 110 -4.298 -13.588 -0.125 1.00 0.00 ATOM 900 O PRO 110 -1.287 -14.016 2.269 1.00 0.00 ATOM 901 C PRO 110 -1.984 -13.031 2.500 1.00 0.00 ATOM 902 N VAL 111 -1.550 -11.876 2.994 1.00 0.00 ATOM 903 CA VAL 111 -0.136 -11.641 3.250 1.00 0.00 ATOM 904 CB VAL 111 0.453 -10.615 2.264 1.00 0.00 ATOM 905 CG1 VAL 111 0.353 -11.130 0.836 1.00 0.00 ATOM 906 CG2 VAL 111 -0.301 -9.295 2.352 1.00 0.00 ATOM 907 O VAL 111 -0.905 -10.619 5.289 1.00 0.00 ATOM 908 C VAL 111 0.055 -11.103 4.669 1.00 0.00 ATOM 909 N ASN 112 1.284 -11.165 5.157 1.00 0.00 ATOM 910 CA ASN 112 1.618 -10.618 6.462 1.00 0.00 ATOM 911 CB ASN 112 3.041 -11.016 6.863 1.00 0.00 ATOM 912 CG ASN 112 3.148 -12.474 7.260 1.00 0.00 ATOM 913 ND2 ASN 112 2.070 -13.221 7.056 1.00 0.00 ATOM 914 OD1 ASN 112 4.189 -12.920 7.742 1.00 0.00 ATOM 915 O ASN 112 1.056 -8.455 7.446 1.00 0.00 ATOM 916 C ASN 112 1.535 -9.081 6.460 1.00 0.00 ATOM 917 N LYS 113 2.019 -8.502 5.350 1.00 0.00 ATOM 918 CA LYS 113 2.071 -7.039 5.220 1.00 0.00 ATOM 919 CB LYS 113 3.432 -6.991 4.084 1.00 0.00 ATOM 920 CG LYS 113 4.391 -8.237 4.155 1.00 0.00 ATOM 921 CD LYS 113 5.230 -8.346 2.895 1.00 0.00 ATOM 922 CE LYS 113 5.590 -9.837 2.611 1.00 0.00 ATOM 923 NZ LYS 113 4.365 -10.655 2.197 1.00 0.00 ATOM 924 O LYS 113 0.462 -5.270 4.812 1.00 0.00 ATOM 925 C LYS 113 0.714 -6.483 4.790 1.00 0.00 ATOM 926 N VAL 114 -0.207 -7.354 4.469 1.00 0.00 ATOM 927 CA VAL 114 -1.525 -6.944 4.029 1.00 0.00 ATOM 928 CB VAL 114 -1.757 -7.242 2.529 1.00 0.00 ATOM 929 CG1 VAL 114 -3.239 -7.103 2.199 1.00 0.00 ATOM 930 CG2 VAL 114 -0.951 -6.276 1.680 1.00 0.00 ATOM 931 O VAL 114 -2.525 -8.988 4.786 1.00 0.00 ATOM 932 C VAL 114 -2.513 -7.752 4.852 1.00 0.00 ATOM 933 N SER 115 -3.314 -7.008 5.644 1.00 0.00 ATOM 934 CA SER 115 -4.301 -7.723 6.451 1.00 0.00 ATOM 935 CB SER 115 -4.200 -7.304 7.918 1.00 0.00 ATOM 936 OG SER 115 -5.216 -7.917 8.695 1.00 0.00 ATOM 937 O SER 115 -6.037 -6.246 5.714 1.00 0.00 ATOM 938 C SER 115 -5.694 -7.396 5.929 1.00 0.00 ATOM 939 N ILE 116 -6.450 -8.466 5.680 1.00 0.00 ATOM 940 CA ILE 116 -7.833 -8.320 5.230 1.00 0.00 ATOM 941 CB ILE 116 -8.360 -9.682 4.823 1.00 0.00 ATOM 942 CG1 ILE 116 -7.588 -10.283 3.642 1.00 0.00 ATOM 943 CG2 ILE 116 -9.845 -9.613 4.542 1.00 0.00 ATOM 944 CD1 ILE 116 -7.009 -11.656 3.882 1.00 0.00 ATOM 945 O ILE 116 -9.367 -6.670 6.077 1.00 0.00 ATOM 946 C ILE 116 -8.617 -7.606 6.343 1.00 0.00 ATOM 947 N ALA 117 -8.426 -8.041 7.588 1.00 0.00 ATOM 948 CA ALA 117 -9.105 -7.416 8.733 1.00 0.00 ATOM 949 CB ALA 117 -8.720 -8.122 10.024 1.00 0.00 ATOM 950 O ALA 117 -9.625 -5.107 9.100 1.00 0.00 ATOM 951 C ALA 117 -8.740 -5.932 8.889 1.00 0.00 ATOM 952 N TYR 118 -7.438 -5.612 8.808 1.00 0.00 ATOM 953 CA TYR 118 -7.044 -4.211 8.941 1.00 0.00 ATOM 954 CB TYR 118 -5.517 -4.101 8.977 1.00 0.00 ATOM 955 CG TYR 118 -4.957 -4.409 10.357 1.00 0.00 ATOM 956 CD1 TYR 118 -4.229 -5.544 10.631 1.00 0.00 ATOM 957 CD2 TYR 118 -5.190 -3.465 11.359 1.00 0.00 ATOM 958 CE1 TYR 118 -3.683 -5.742 11.910 1.00 0.00 ATOM 959 CE2 TYR 118 -4.605 -3.633 12.606 1.00 0.00 ATOM 960 CZ TYR 118 -3.880 -4.765 12.856 1.00 0.00 ATOM 961 OH TYR 118 -3.302 -4.880 14.117 1.00 0.00 ATOM 962 O TYR 118 -8.033 -2.188 8.079 1.00 0.00 ATOM 963 C TYR 118 -7.623 -3.314 7.870 1.00 0.00 ATOM 964 N HIS 119 -7.541 -3.768 6.579 1.00 0.00 ATOM 965 CA HIS 119 -8.101 -2.920 5.536 1.00 0.00 ATOM 966 CB HIS 119 -7.809 -3.485 4.126 1.00 0.00 ATOM 967 CG HIS 119 -6.370 -3.332 3.741 1.00 0.00 ATOM 968 CD2 HIS 119 -5.415 -2.458 4.177 1.00 0.00 ATOM 969 ND1 HIS 119 -5.755 -4.154 2.812 1.00 0.00 ATOM 970 CE1 HIS 119 -4.484 -3.771 2.678 1.00 0.00 ATOM 971 NE2 HIS 119 -4.270 -2.718 3.466 1.00 0.00 ATOM 972 O HIS 119 -10.016 -1.518 5.622 1.00 0.00 ATOM 973 C HIS 119 -9.577 -2.660 5.726 1.00 0.00 ATOM 974 N THR 120 -10.351 -3.705 6.029 1.00 0.00 ATOM 975 CA THR 120 -11.806 -3.514 6.231 1.00 0.00 ATOM 976 CB THR 120 -12.551 -4.859 6.260 1.00 0.00 ATOM 977 CG2 THR 120 -14.035 -4.640 6.503 1.00 0.00 ATOM 978 OG1 THR 120 -12.382 -5.532 5.006 1.00 0.00 ATOM 979 O THR 120 -12.995 -1.912 7.491 1.00 0.00 ATOM 980 C THR 120 -12.132 -2.809 7.531 1.00 0.00 ATOM 981 N LYS 121 -11.450 -3.019 8.629 1.00 0.00 ATOM 982 CA LYS 121 -11.666 -2.271 9.895 1.00 0.00 ATOM 983 CB LYS 121 -11.948 -3.148 11.106 1.00 0.00 ATOM 984 CG LYS 121 -11.055 -4.398 11.225 1.00 0.00 ATOM 985 CD LYS 121 -11.426 -5.315 12.376 1.00 0.00 ATOM 986 CE LYS 121 -10.488 -6.489 12.589 1.00 0.00 ATOM 987 NZ LYS 121 -10.946 -7.676 11.800 1.00 0.00 ATOM 988 O LYS 121 -9.356 -1.922 10.568 1.00 0.00 ATOM 989 C LYS 121 -10.418 -1.429 10.156 1.00 0.00 ATOM 990 N LEU 122 -10.536 -0.145 9.896 1.00 0.00 ATOM 991 CA LEU 122 -9.450 0.801 9.893 1.00 0.00 ATOM 992 CB LEU 122 -8.998 1.069 8.478 1.00 0.00 ATOM 993 CG LEU 122 -7.823 0.491 7.812 1.00 0.00 ATOM 994 CD1 LEU 122 -7.333 -0.843 8.338 1.00 0.00 ATOM 995 CD2 LEU 122 -8.097 0.364 6.304 1.00 0.00 ATOM 996 O LEU 122 -10.519 2.937 10.163 1.00 0.00 ATOM 997 C LEU 122 -9.889 2.036 10.686 1.00 0.00 ATOM 998 N GLY 123 -12.802 2.307 10.716 1.00 0.00 ATOM 999 CA GLY 123 -13.759 3.073 9.941 1.00 0.00 ATOM 1000 O GLY 123 -13.824 4.125 7.791 1.00 0.00 ATOM 1001 C GLY 123 -13.354 3.225 8.481 1.00 0.00 ATOM 1002 N PHE 124 -12.488 2.355 8.009 1.00 0.00 ATOM 1003 CA PHE 124 -12.033 2.426 6.609 1.00 0.00 ATOM 1004 CB PHE 124 -10.536 2.068 6.503 1.00 0.00 ATOM 1005 CG PHE 124 -9.592 3.159 6.945 1.00 0.00 ATOM 1006 CD1 PHE 124 -9.644 3.676 8.236 1.00 0.00 ATOM 1007 CD2 PHE 124 -8.549 3.551 6.123 1.00 0.00 ATOM 1008 CE1 PHE 124 -8.747 4.669 8.652 1.00 0.00 ATOM 1009 CE2 PHE 124 -7.647 4.528 6.532 1.00 0.00 ATOM 1010 CZ PHE 124 -7.719 5.049 7.817 1.00 0.00 ATOM 1011 O PHE 124 -12.567 0.195 5.866 1.00 0.00 ATOM 1012 C PHE 124 -12.835 1.402 5.799 1.00 0.00 ATOM 1013 N ASP 125 -13.800 1.877 5.016 1.00 0.00 ATOM 1014 CA ASP 125 -14.530 0.961 4.132 1.00 0.00 ATOM 1015 CB ASP 125 -16.031 0.991 4.446 1.00 0.00 ATOM 1016 CG ASP 125 -16.825 0.026 3.585 1.00 0.00 ATOM 1017 OD1 ASP 125 -16.229 -0.861 2.957 1.00 0.00 ATOM 1018 OD2 ASP 125 -18.062 0.137 3.575 1.00 0.00 ATOM 1019 O ASP 125 -15.060 1.811 1.935 1.00 0.00 ATOM 1020 C ASP 125 -14.220 1.295 2.673 1.00 0.00 ATOM 1021 N ILE 126 -12.943 1.149 2.315 1.00 0.00 ATOM 1022 CA ILE 126 -12.457 1.576 1.005 1.00 0.00 ATOM 1023 CB ILE 126 -10.969 1.997 1.100 1.00 0.00 ATOM 1024 CG1 ILE 126 -10.795 3.038 2.224 1.00 0.00 ATOM 1025 CG2 ILE 126 -10.418 2.475 -0.285 1.00 0.00 ATOM 1026 CD1 ILE 126 -11.781 4.209 2.157 1.00 0.00 ATOM 1027 O ILE 126 -12.001 -0.639 0.194 1.00 0.00 ATOM 1028 C ILE 126 -12.624 0.409 0.019 1.00 0.00 ATOM 1029 N GLU 127 -13.465 0.585 -0.996 1.00 0.00 ATOM 1030 CA GLU 127 -13.814 -0.526 -1.891 1.00 0.00 ATOM 1031 CB GLU 127 -15.300 -0.870 -1.759 1.00 0.00 ATOM 1032 CG GLU 127 -15.639 -1.339 -0.356 1.00 0.00 ATOM 1033 CD GLU 127 -17.101 -1.708 -0.168 1.00 0.00 ATOM 1034 OE1 GLU 127 -17.840 -1.751 -1.167 1.00 0.00 ATOM 1035 OE2 GLU 127 -17.522 -1.934 0.992 1.00 0.00 ATOM 1036 O GLU 127 -13.493 -1.267 -4.137 1.00 0.00 ATOM 1037 C GLU 127 -13.426 -0.331 -3.352 1.00 0.00 ATOM 1038 N LYS 128 -10.206 0.390 -3.664 1.00 0.00 ATOM 1039 CA LYS 128 -9.518 0.037 -4.899 1.00 0.00 ATOM 1040 CB LYS 128 -7.973 -0.039 -4.626 1.00 0.00 ATOM 1041 CG LYS 128 -7.183 -0.361 -5.894 1.00 0.00 ATOM 1042 CD LYS 128 -5.681 -0.334 -5.700 1.00 0.00 ATOM 1043 CE LYS 128 -4.958 -0.755 -6.990 1.00 0.00 ATOM 1044 NZ LYS 128 -3.469 -0.667 -6.867 1.00 0.00 ATOM 1045 O LYS 128 -10.049 -1.307 -6.803 1.00 0.00 ATOM 1046 C LYS 128 -10.089 -1.199 -5.578 1.00 0.00 ATOM 1047 N GLY 129 -10.612 -2.137 -4.795 1.00 0.00 ATOM 1048 CA GLY 129 -11.149 -3.364 -5.364 1.00 0.00 ATOM 1049 O GLY 129 -11.108 -4.089 -3.109 1.00 0.00 ATOM 1050 C GLY 129 -11.170 -4.430 -4.286 1.00 0.00 ATOM 1051 N THR 130 -11.262 -5.699 -4.670 1.00 0.00 ATOM 1052 CA THR 130 -11.286 -6.796 -3.698 1.00 0.00 ATOM 1053 CB THR 130 -12.688 -7.428 -3.573 1.00 0.00 ATOM 1054 CG2 THR 130 -13.663 -6.438 -2.975 1.00 0.00 ATOM 1055 OG1 THR 130 -13.161 -7.847 -4.858 1.00 0.00 ATOM 1056 O THR 130 -9.926 -7.980 -5.286 1.00 0.00 ATOM 1057 C THR 130 -10.361 -7.918 -4.127 1.00 0.00 ATOM 1058 N LYS 131 -10.029 -8.777 -3.161 1.00 0.00 ATOM 1059 CA LYS 131 -9.195 -9.940 -3.454 1.00 0.00 ATOM 1060 CB LYS 131 -9.754 -11.188 -2.868 1.00 0.00 ATOM 1061 CG LYS 131 -9.487 -11.189 -1.344 1.00 0.00 ATOM 1062 CD LYS 131 -9.763 -12.545 -0.715 1.00 0.00 ATOM 1063 CE LYS 131 -9.324 -12.601 0.741 1.00 0.00 ATOM 1064 NZ LYS 131 -9.404 -13.997 1.273 1.00 0.00 ATOM 1065 O LYS 131 -8.977 -11.119 -5.530 1.00 0.00 ATOM 1066 C LYS 131 -9.725 -10.788 -4.603 1.00 0.00 ATOM 1067 N THR 132 -11.012 -11.119 -4.550 1.00 0.00 ATOM 1068 CA THR 132 -11.631 -11.935 -5.591 1.00 0.00 ATOM 1069 CB THR 132 -13.093 -12.270 -5.235 1.00 0.00 ATOM 1070 CG2 THR 132 -13.693 -13.220 -6.262 1.00 0.00 ATOM 1071 OG1 THR 132 -13.130 -12.896 -3.942 1.00 0.00 ATOM 1072 O THR 132 -11.288 -11.890 -7.966 1.00 0.00 ATOM 1073 C THR 132 -11.557 -11.242 -6.952 1.00 0.00 ATOM 1074 N VAL 133 -11.752 -9.932 -6.973 1.00 0.00 ATOM 1075 CA VAL 133 -11.678 -9.179 -8.228 1.00 0.00 ATOM 1076 CB VAL 133 -11.920 -7.676 -8.002 1.00 0.00 ATOM 1077 CG1 VAL 133 -11.637 -6.893 -9.274 1.00 0.00 ATOM 1078 CG2 VAL 133 -13.365 -7.425 -7.596 1.00 0.00 ATOM 1079 O VAL 133 -10.329 -9.460 -10.189 1.00 0.00 ATOM 1080 C VAL 133 -10.350 -9.251 -8.978 1.00 0.00 ATOM 1081 N ASN 134 -9.241 -9.050 -8.255 1.00 0.00 ATOM 1082 CA ASN 134 -7.929 -9.081 -8.869 1.00 0.00 ATOM 1083 CB ASN 134 -7.084 -7.725 -8.576 1.00 0.00 ATOM 1084 CG ASN 134 -6.013 -7.309 -9.588 1.00 0.00 ATOM 1085 ND2 ASN 134 -5.556 -6.066 -9.486 1.00 0.00 ATOM 1086 OD1 ASN 134 -5.592 -8.104 -10.440 1.00 0.00 ATOM 1087 O ASN 134 -5.885 -10.341 -8.439 1.00 0.00 ATOM 1088 C ASN 134 -7.112 -10.313 -8.510 1.00 0.00 ATOM 1089 N GLY 135 -7.592 -11.099 -7.447 1.00 0.00 ATOM 1090 CA GLY 135 -6.791 -12.226 -7.019 1.00 0.00 ATOM 1091 O GLY 135 -8.549 -12.409 -5.418 1.00 0.00 ATOM 1092 C GLY 135 -7.516 -12.900 -5.872 1.00 0.00 ATOM 1093 N ILE 136 -6.965 -14.001 -5.375 1.00 0.00 ATOM 1094 CA ILE 136 -7.592 -14.740 -4.286 1.00 0.00 ATOM 1095 CB ILE 136 -6.945 -16.128 -4.098 1.00 0.00 ATOM 1096 CG1 ILE 136 -7.206 -16.999 -5.322 1.00 0.00 ATOM 1097 CG2 ILE 136 -7.508 -16.801 -2.863 1.00 0.00 ATOM 1098 CD1 ILE 136 -6.586 -18.379 -5.226 1.00 0.00 ATOM 1099 O ILE 136 -6.402 -13.583 -2.568 1.00 0.00 ATOM 1100 C ILE 136 -7.490 -13.959 -2.982 1.00 0.00 ATOM 1101 N SER 137 -8.605 -13.715 -2.322 1.00 0.00 ATOM 1102 CA SER 137 -8.624 -12.966 -1.077 1.00 0.00 ATOM 1103 CB SER 137 -8.174 -14.198 0.086 1.00 0.00 ATOM 1104 OG SER 137 -8.766 -14.176 1.379 1.00 0.00 ATOM 1105 O SER 137 -7.720 -10.937 -0.187 1.00 0.00 ATOM 1106 C SER 137 -8.192 -11.505 -1.168 1.00 0.00 ATOM 1107 N VAL 138 -8.340 -10.919 -2.351 1.00 0.00 ATOM 1108 CA VAL 138 -8.005 -9.518 -2.563 1.00 0.00 ATOM 1109 CB VAL 138 -6.866 -9.354 -3.576 1.00 0.00 ATOM 1110 CG1 VAL 138 -6.572 -7.895 -3.860 1.00 0.00 ATOM 1111 CG2 VAL 138 -5.625 -10.068 -3.073 1.00 0.00 ATOM 1112 O VAL 138 -9.884 -9.332 -4.035 1.00 0.00 ATOM 1113 C VAL 138 -9.274 -8.842 -3.061 1.00 0.00 ATOM 1114 N PHE 139 -9.637 -7.703 -2.469 1.00 0.00 ATOM 1115 CA PHE 139 -10.870 -7.022 -2.886 1.00 0.00 ATOM 1116 CB PHE 139 -12.073 -7.635 -2.168 1.00 0.00 ATOM 1117 CG PHE 139 -11.949 -7.548 -0.680 1.00 0.00 ATOM 1118 CD1 PHE 139 -11.307 -8.574 0.021 1.00 0.00 ATOM 1119 CD2 PHE 139 -12.488 -6.481 0.015 1.00 0.00 ATOM 1120 CE1 PHE 139 -11.172 -8.468 1.404 1.00 0.00 ATOM 1121 CE2 PHE 139 -12.345 -6.398 1.396 1.00 0.00 ATOM 1122 CZ PHE 139 -11.676 -7.386 2.113 1.00 0.00 ATOM 1123 O PHE 139 -9.882 -5.039 -1.938 1.00 0.00 ATOM 1124 C PHE 139 -10.726 -5.528 -2.661 1.00 0.00 ATOM 1125 N ALA 140 -10.829 -4.325 -3.281 1.00 0.00 ATOM 1126 CA ALA 140 -10.679 -2.868 -3.146 1.00 0.00 ATOM 1127 CB ALA 140 -9.970 -2.328 -4.326 1.00 0.00 ATOM 1128 O ALA 140 -12.884 -2.783 -4.078 1.00 0.00 ATOM 1129 C ALA 140 -12.026 -2.206 -3.408 1.00 0.00 ATOM 1130 N ASN 141 -12.214 -1.010 -2.888 1.00 0.00 ATOM 1131 CA ASN 141 -13.460 -0.266 -3.061 1.00 0.00 ATOM 1132 CB ASN 141 -14.491 -0.680 -2.027 1.00 0.00 ATOM 1133 CG ASN 141 -15.767 0.134 -2.095 1.00 0.00 ATOM 1134 ND2 ASN 141 -16.894 -0.492 -2.346 1.00 0.00 ATOM 1135 OD1 ASN 141 -15.673 1.338 -1.895 1.00 0.00 ATOM 1136 O ASN 141 -12.508 1.559 -1.904 1.00 0.00 ATOM 1137 C ASN 141 -13.044 1.188 -2.958 1.00 0.00 ATOM 1138 N TYR 142 -13.249 1.974 -4.033 1.00 0.00 ATOM 1139 CA TYR 142 -12.793 3.350 -3.996 1.00 0.00 ATOM 1140 CB TYR 142 -11.464 3.541 -4.784 1.00 0.00 ATOM 1141 CG TYR 142 -11.571 3.282 -6.267 1.00 0.00 ATOM 1142 CD1 TYR 142 -12.164 4.231 -7.108 1.00 0.00 ATOM 1143 CD2 TYR 142 -11.128 2.077 -6.830 1.00 0.00 ATOM 1144 CE1 TYR 142 -12.325 3.974 -8.499 1.00 0.00 ATOM 1145 CE2 TYR 142 -11.290 1.816 -8.218 1.00 0.00 ATOM 1146 CZ TYR 142 -11.895 2.761 -9.031 1.00 0.00 ATOM 1147 OH TYR 142 -12.174 2.484 -10.383 1.00 0.00 ATOM 1148 O TYR 142 -13.886 5.480 -4.095 1.00 0.00 ATOM 1149 C TYR 142 -13.943 4.319 -3.711 1.00 0.00 ATOM 1150 N ASP 143 -14.961 3.824 -3.014 1.00 0.00 ATOM 1151 CA ASP 143 -16.051 4.762 -2.644 1.00 0.00 ATOM 1152 CB ASP 143 -17.107 4.034 -1.833 1.00 0.00 ATOM 1153 CG ASP 143 -18.344 4.814 -1.482 1.00 0.00 ATOM 1154 OD1 ASP 143 -18.572 5.859 -2.149 1.00 0.00 ATOM 1155 OD2 ASP 143 -19.066 4.372 -0.553 1.00 0.00 ATOM 1156 O ASP 143 -15.755 7.117 -2.150 1.00 0.00 ATOM 1157 C ASP 143 -15.473 5.935 -1.881 1.00 0.00 ATOM 1158 N GLY 144 -14.627 5.690 -0.887 1.00 0.00 ATOM 1159 CA GLY 144 -14.021 6.713 -0.070 1.00 0.00 ATOM 1160 O GLY 144 -14.407 8.485 1.436 1.00 0.00 ATOM 1161 C GLY 144 -14.892 7.456 0.911 1.00 0.00 ATOM 1162 N PRO 145 -16.131 7.004 1.169 1.00 0.00 ATOM 1163 CA PRO 145 -16.997 7.662 2.126 1.00 0.00 ATOM 1164 CB PRO 145 -18.266 6.819 2.092 1.00 0.00 ATOM 1165 CG PRO 145 -18.218 6.033 0.855 1.00 0.00 ATOM 1166 CD PRO 145 -16.747 5.866 0.488 1.00 0.00 ATOM 1167 O PRO 145 -15.630 6.776 3.926 1.00 0.00 ATOM 1168 C PRO 145 -16.366 7.693 3.506 1.00 0.00 ATOM 1169 N GLY 146 -16.589 8.784 4.242 1.00 0.00 ATOM 1170 CA GLY 146 -16.074 8.993 5.565 1.00 0.00 ATOM 1171 O GLY 146 -14.321 10.180 6.688 1.00 0.00 ATOM 1172 C GLY 146 -14.772 9.776 5.625 1.00 0.00 ATOM 1173 N GLN 147 -14.188 10.005 4.454 1.00 0.00 ATOM 1174 CA GLN 147 -12.941 10.768 4.365 1.00 0.00 ATOM 1175 CB GLN 147 -12.068 10.256 3.213 1.00 0.00 ATOM 1176 CG GLN 147 -11.452 8.870 3.433 1.00 0.00 ATOM 1177 CD GLN 147 -12.465 7.783 3.697 1.00 0.00 ATOM 1178 OE1 GLN 147 -13.388 7.513 2.899 1.00 0.00 ATOM 1179 NE2 GLN 147 -12.386 7.165 4.880 1.00 0.00 ATOM 1180 O GLN 147 -14.212 12.694 3.616 1.00 0.00 ATOM 1181 C GLN 147 -13.254 12.251 4.303 1.00 0.00 ATOM 1182 N ASP 148 -12.459 13.060 4.972 1.00 0.00 ATOM 1183 CA ASP 148 -12.652 14.505 4.904 1.00 0.00 ATOM 1184 CB ASP 148 -11.654 15.224 5.818 1.00 0.00 ATOM 1185 CG ASP 148 -12.045 15.163 7.287 1.00 0.00 ATOM 1186 OD1 ASP 148 -11.233 15.604 8.130 1.00 0.00 ATOM 1187 OD2 ASP 148 -13.156 14.684 7.599 1.00 0.00 ATOM 1188 O ASP 148 -13.336 15.797 3.013 1.00 0.00 ATOM 1189 C ASP 148 -12.498 15.033 3.486 1.00 0.00 ATOM 1190 N ARG 149 -11.425 14.622 2.811 1.00 0.00 ATOM 1191 CA ARG 149 -11.147 15.072 1.449 1.00 0.00 ATOM 1192 CB ARG 149 -9.772 14.564 1.003 1.00 0.00 ATOM 1193 CG ARG 149 -9.209 15.232 -0.246 1.00 0.00 ATOM 1194 CD ARG 149 -9.016 16.735 -0.046 1.00 0.00 ATOM 1195 NE ARG 149 -8.510 17.045 1.291 1.00 0.00 ATOM 1196 CZ ARG 149 -7.311 16.698 1.751 1.00 0.00 ATOM 1197 NH1 ARG 149 -6.463 16.029 0.979 1.00 0.00 ATOM 1198 NH2 ARG 149 -6.967 16.995 2.996 1.00 0.00 ATOM 1199 O ARG 149 -12.597 15.356 -0.439 1.00 0.00 ATOM 1200 C ARG 149 -12.209 14.607 0.458 1.00 0.00 ATOM 1201 N VAL 150 -12.671 13.370 0.612 1.00 0.00 ATOM 1202 CA VAL 150 -13.693 12.837 -0.278 1.00 0.00 ATOM 1203 CB VAL 150 -13.944 11.336 -0.016 1.00 0.00 ATOM 1204 CG1 VAL 150 -15.168 10.875 -0.781 1.00 0.00 ATOM 1205 CG2 VAL 150 -12.724 10.522 -0.452 1.00 0.00 ATOM 1206 O VAL 150 -15.653 13.958 -1.081 1.00 0.00 ATOM 1207 C VAL 150 -14.994 13.611 -0.105 1.00 0.00 ATOM 1208 N LEU 151 -15.362 13.900 1.137 1.00 0.00 ATOM 1209 CA LEU 151 -16.584 14.649 1.388 1.00 0.00 ATOM 1210 CB LEU 151 -16.876 14.708 2.886 1.00 0.00 ATOM 1211 CG LEU 151 -18.155 15.432 3.325 1.00 0.00 ATOM 1212 CD1 LEU 151 -19.379 14.866 2.603 1.00 0.00 ATOM 1213 CD2 LEU 151 -18.307 15.276 4.837 1.00 0.00 ATOM 1214 O LEU 151 -17.469 16.602 0.323 1.00 0.00 ATOM 1215 C LEU 151 -16.480 16.054 0.806 1.00 0.00 ATOM 1216 N PHE 152 -15.293 16.643 0.842 1.00 0.00 ATOM 1217 CA PHE 152 -15.094 17.974 0.271 1.00 0.00 ATOM 1218 CB PHE 152 -13.746 18.564 0.711 1.00 0.00 ATOM 1219 CG PHE 152 -13.563 19.998 0.321 1.00 0.00 ATOM 1220 CD1 PHE 152 -14.346 20.994 0.894 1.00 0.00 ATOM 1221 CD2 PHE 152 -12.630 20.359 -0.646 1.00 0.00 ATOM 1222 CE1 PHE 152 -14.203 22.328 0.513 1.00 0.00 ATOM 1223 CE2 PHE 152 -12.482 21.685 -1.031 1.00 0.00 ATOM 1224 CZ PHE 152 -13.272 22.673 -0.449 1.00 0.00 ATOM 1225 O PHE 152 -15.682 18.800 -1.906 1.00 0.00 ATOM 1226 C PHE 152 -15.156 17.898 -1.254 1.00 0.00 ATOM 1227 N VAL 153 -14.620 16.829 -1.820 1.00 0.00 ATOM 1228 CA VAL 153 -14.629 16.614 -3.269 1.00 0.00 ATOM 1229 CB VAL 153 -13.310 15.884 -3.651 1.00 0.00 ATOM 1230 CG1 VAL 153 -13.334 15.381 -5.094 1.00 0.00 ATOM 1231 CG2 VAL 153 -12.126 16.831 -3.463 1.00 0.00 ATOM 1232 O VAL 153 -15.931 14.644 -3.102 1.00 0.00 ATOM 1233 C VAL 153 -15.813 15.727 -3.657 1.00 0.00 ATOM 1234 N LYS 154 -16.671 16.170 -4.610 1.00 0.00 ATOM 1235 CA LYS 154 -17.812 15.374 -5.042 1.00 0.00 ATOM 1236 CB LYS 154 -18.663 16.143 -6.066 1.00 0.00 ATOM 1237 CG LYS 154 -19.434 17.306 -5.463 1.00 0.00 ATOM 1238 CD LYS 154 -20.409 17.906 -6.450 1.00 0.00 ATOM 1239 CE LYS 154 -19.689 18.508 -7.642 1.00 0.00 ATOM 1240 NZ LYS 154 -20.660 19.159 -8.564 1.00 0.00 ATOM 1241 O LYS 154 -18.036 13.023 -5.453 1.00 0.00 ATOM 1242 C LYS 154 -17.372 14.047 -5.641 1.00 0.00 ATOM 1243 N ASN 155 -16.245 14.061 -6.354 1.00 0.00 ATOM 1244 CA ASN 155 -15.755 12.830 -6.975 1.00 0.00 ATOM 1245 CB ASN 155 -14.555 13.102 -7.871 1.00 0.00 ATOM 1246 CG ASN 155 -14.816 13.925 -9.099 1.00 0.00 ATOM 1247 ND2 ASN 155 -13.720 14.276 -9.765 1.00 0.00 ATOM 1248 OD1 ASN 155 -15.941 14.244 -9.485 1.00 0.00 ATOM 1249 O ASN 155 -15.595 10.616 -6.013 1.00 0.00 ATOM 1250 C ASN 155 -15.324 11.812 -5.923 1.00 0.00 ATOM 1251 N ILE 156 -14.636 12.290 -4.893 1.00 0.00 ATOM 1252 CA ILE 156 -14.176 11.407 -3.826 1.00 0.00 ATOM 1253 CB ILE 156 -13.326 12.186 -2.809 1.00 0.00 ATOM 1254 CG1 ILE 156 -12.017 12.657 -3.444 1.00 0.00 ATOM 1255 CG2 ILE 156 -13.103 11.357 -1.557 1.00 0.00 ATOM 1256 CD1 ILE 156 -11.325 13.755 -2.674 1.00 0.00 ATOM 1257 O ILE 156 -15.346 9.518 -2.907 1.00 0.00 ATOM 1258 C ILE 156 -15.344 10.720 -3.138 1.00 0.00 TER END ################################ # # # END # # # ################################