From mailer@bialko.llnl.gov Mon Aug 12 11:24:39 2002 Date: Mon, 12 Aug 2002 11:24:33 -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 10:56:29 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_688653_20858 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0176SS001_1 Current information on models submitted in prediction T0176SS001 MODEL_INDEX PIN CODE DATE E-mail T0176SS001_1 PIN_688653_20858 4069-6308-1312 08/12/02 10:56:29 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 T0176 MODEL_INDEX PIN CODE DATE E-mail T0176SS001_1 PIN_688653_20858 4069-6308-1312 08/12/02 10:56:29 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 T0176 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: 100 # Number of residues with nonzero confidence: 100 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0176 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0176.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0176.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0176.t2k.str.rdb (weight 1.53983) METHOD T0176.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 T0176.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0176 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 T0176.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 31 METHOD METHOD ============================================ METHOD Comments from T0176.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0176 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 T0176.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 31 METHOD METHOD ============================================ METHOD Comments from T0176.t2k.str.rdb METHOD ============================================ METHOD TARGET T0176 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 T0176.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 31 METHOD METHOD ============================================ METHOD Comments from T0176.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0176 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 T0176.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 31 METHOD METHOD ============================================ MODEL 1 M C 0.87 D C 0.77 G C 0.71 V C 0.51 M H 0.47 S H 0.52 A H 0.48 V E 0.38 T E 0.55 V E 0.59 N C 0.48 D C 0.84 D C 0.91 G C 0.60 L E 0.83 V E 0.91 L E 0.93 R E 0.93 L E 0.92 Y E 0.91 I E 0.83 Q C 0.54 P C 0.79 K C 0.87 A C 0.75 S C 0.71 R C 0.60 D C 0.66 S C 0.62 I C 0.48 V C 0.49 G C 0.58 L C 0.69 H C 0.77 G C 0.79 D C 0.76 E E 0.61 V E 0.85 K E 0.90 V E 0.92 A E 0.90 I E 0.81 T E 0.55 A C 0.78 P C 0.90 P C 0.87 V C 0.77 D C 0.61 G H 0.49 Q H 0.80 A H 0.87 N H 0.92 S H 0.95 H H 0.96 L H 0.96 V H 0.96 K H 0.96 F H 0.96 L H 0.96 G H 0.96 K H 0.94 Q H 0.86 F H 0.48 R C 0.92 V C 0.90 A C 0.88 K C 0.50 S C 0.49 Q C 0.37 V E 0.73 V E 0.87 I E 0.86 E E 0.71 K C 0.60 G C 0.77 E C 0.71 L C 0.67 G C 0.70 R C 0.69 H C 0.61 K E 0.55 Q E 0.75 I E 0.85 K E 0.85 I E 0.67 I C 0.71 N C 0.89 P C 0.83 Q C 0.74 Q C 0.67 I C 0.75 P H 0.74 P H 0.90 E H 0.92 V H 0.92 A H 0.90 A H 0.85 L H 0.73 I C 0.53 N C 0.92 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Aug 31 08:29:09 2002 Date: Sat, 31 Aug 2002 08:29:03 -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 Sat Aug 31 08:01:07 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_207902_39789 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0176TS001_1 Current information on models submitted in prediction T0176TS001 MODEL_INDEX PIN CODE DATE E-mail T0176TS001_1 PIN_207902_39789 4069-6308-1312 08/31/02 08:01:07 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0176 MODEL_INDEX PIN CODE DATE E-mail T0176TS001_1 PIN_207902_39789 4069-6308-1312 08/31/02 08:01:07 karplus@cse.ucsc.edu T0176SS001_1 PIN_688653_20858 4069-6308-1312 08/12/02 10:56:29 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 T0176 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: T0176 # Total number of residues in target: 100 # Total number of residues in model: 100 # Total number of atoms in model: 760 # Number of atoms with 1.0 occupancy: 760 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0176 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 4.658 -9.915 -5.041 1.00 0.00 ATOM 2 CA MET 1 5.300 -10.969 -4.191 1.00 0.00 ATOM 3 CB MET 1 5.872 -10.386 -2.901 1.00 0.00 ATOM 4 CG MET 1 7.144 -9.582 -3.086 1.00 0.00 ATOM 5 SD MET 1 7.691 -9.127 -1.472 1.00 0.00 ATOM 6 CE MET 1 6.388 -7.949 -0.997 1.00 0.00 ATOM 7 O MET 1 3.148 -11.753 -3.587 1.00 0.00 ATOM 8 C MET 1 4.321 -12.038 -3.798 1.00 0.00 ATOM 9 N ASP 2 4.857 -13.254 -3.696 1.00 0.00 ATOM 10 CA ASP 2 4.019 -14.419 -3.276 1.00 0.00 ATOM 11 CB ASP 2 4.784 -15.753 -3.397 1.00 0.00 ATOM 12 CG ASP 2 3.852 -16.938 -3.299 1.00 0.00 ATOM 13 OD1 ASP 2 2.795 -16.958 -3.878 1.00 0.00 ATOM 14 OD2 ASP 2 4.298 -17.964 -2.636 1.00 0.00 ATOM 15 O ASP 2 2.484 -14.592 -1.426 1.00 0.00 ATOM 16 C ASP 2 3.582 -14.292 -1.835 1.00 0.00 ATOM 17 N GLY 3 4.525 -13.873 -1.039 1.00 0.00 ATOM 18 CA GLY 3 4.202 -13.725 0.389 1.00 0.00 ATOM 19 O GLY 3 2.468 -12.621 1.595 1.00 0.00 ATOM 20 C GLY 3 3.296 -12.529 0.672 1.00 0.00 ATOM 21 N VAL 4 3.477 -11.407 -0.075 1.00 0.00 ATOM 22 CA VAL 4 2.619 -10.246 0.217 1.00 0.00 ATOM 23 CB VAL 4 3.631 -8.902 -0.322 1.00 0.00 ATOM 24 CG1 VAL 4 5.036 -9.332 -0.625 1.00 0.00 ATOM 25 CG2 VAL 4 2.962 -8.557 -1.596 1.00 0.00 ATOM 26 O VAL 4 0.388 -9.544 -0.335 1.00 0.00 ATOM 27 C VAL 4 1.301 -10.325 -0.558 1.00 0.00 ATOM 28 N MET 5 1.211 -11.292 -1.470 1.00 0.00 ATOM 29 CA MET 5 -0.004 -11.543 -2.249 1.00 0.00 ATOM 30 CB MET 5 0.397 -13.101 -2.893 1.00 0.00 ATOM 31 CG MET 5 -0.178 -13.606 -4.217 1.00 0.00 ATOM 32 SD MET 5 0.569 -12.820 -5.648 1.00 0.00 ATOM 33 CE MET 5 -0.646 -13.153 -6.931 1.00 0.00 ATOM 34 O MET 5 -2.342 -11.510 -1.632 1.00 0.00 ATOM 35 C MET 5 -1.209 -11.937 -1.385 1.00 0.00 ATOM 36 N SER 6 -0.927 -12.768 -0.362 1.00 0.00 ATOM 37 CA SER 6 -1.985 -13.235 0.546 1.00 0.00 ATOM 38 CB SER 6 -1.420 -14.229 1.518 1.00 0.00 ATOM 39 OG SER 6 -1.075 -15.457 0.880 1.00 0.00 ATOM 40 O SER 6 -3.899 -11.990 1.351 1.00 0.00 ATOM 41 C SER 6 -2.643 -12.074 1.271 1.00 0.00 ATOM 42 N ALA 7 -1.851 -11.182 1.840 1.00 0.00 ATOM 43 CA ALA 7 -2.425 -10.076 2.606 1.00 0.00 ATOM 44 CB ALA 7 -1.329 -9.300 3.319 1.00 0.00 ATOM 45 O ALA 7 -4.067 -8.412 2.085 1.00 0.00 ATOM 46 C ALA 7 -3.165 -9.138 1.658 1.00 0.00 ATOM 47 N VAL 8 -2.779 -9.136 0.379 1.00 0.00 ATOM 48 CA VAL 8 -3.457 -8.317 -0.612 1.00 0.00 ATOM 49 CB VAL 8 -2.625 -8.124 -1.895 1.00 0.00 ATOM 50 CG1 VAL 8 -3.443 -7.387 -2.943 1.00 0.00 ATOM 51 CG2 VAL 8 -1.375 -7.331 -1.586 1.00 0.00 ATOM 52 O VAL 8 -4.581 -10.243 -1.504 1.00 0.00 ATOM 53 C VAL 8 -4.680 -9.072 -1.138 1.00 0.00 ATOM 54 N THR 9 -5.804 -8.371 -1.158 1.00 0.00 ATOM 55 CA THR 9 -7.045 -8.959 -1.634 1.00 0.00 ATOM 56 CB THR 9 -8.206 -8.758 -0.652 1.00 0.00 ATOM 57 CG2 THR 9 -9.481 -9.444 -1.174 1.00 0.00 ATOM 58 OG1 THR 9 -7.863 -9.323 0.621 1.00 0.00 ATOM 59 O THR 9 -7.599 -7.119 -3.072 1.00 0.00 ATOM 60 C THR 9 -7.451 -8.334 -2.970 1.00 0.00 ATOM 61 N VAL 10 -7.617 -9.197 -3.962 1.00 0.00 ATOM 62 CA VAL 10 -8.004 -8.745 -5.289 1.00 0.00 ATOM 63 CB VAL 10 -7.307 -9.602 -6.413 1.00 0.00 ATOM 64 CG1 VAL 10 -7.649 -9.077 -7.801 1.00 0.00 ATOM 65 CG2 VAL 10 -5.797 -9.616 -6.216 1.00 0.00 ATOM 66 O VAL 10 -10.279 -9.504 -5.406 1.00 0.00 ATOM 67 C VAL 10 -9.517 -8.539 -5.359 1.00 0.00 ATOM 68 N ASN 11 -9.909 -7.272 -5.364 1.00 0.00 ATOM 69 CA ASN 11 -11.318 -6.926 -5.429 1.00 0.00 ATOM 70 CB ASN 11 -11.824 -6.435 -4.062 1.00 0.00 ATOM 71 CG ASN 11 -13.283 -6.037 -3.982 1.00 0.00 ATOM 72 ND2 ASN 11 -13.870 -6.098 -2.799 1.00 0.00 ATOM 73 OD1 ASN 11 -13.880 -5.658 -4.989 1.00 0.00 ATOM 74 O ASN 11 -11.210 -4.755 -6.445 1.00 0.00 ATOM 75 C ASN 11 -11.544 -5.930 -6.570 1.00 0.00 ATOM 76 N ASP 12 -12.110 -6.442 -7.653 1.00 0.00 ATOM 77 CA ASP 12 -12.383 -5.610 -8.815 1.00 0.00 ATOM 78 CB ASP 12 -13.055 -4.496 -8.864 1.00 0.00 ATOM 79 CG ASP 12 -14.511 -4.912 -9.110 1.00 0.00 ATOM 80 OD1 ASP 12 -14.721 -5.911 -9.823 1.00 0.00 ATOM 81 OD2 ASP 12 -15.440 -4.233 -8.610 1.00 0.00 ATOM 82 O ASP 12 -10.014 -5.410 -9.138 1.00 0.00 ATOM 83 C ASP 12 -11.118 -4.890 -9.285 1.00 0.00 ATOM 84 N ASP 13 -11.323 -3.704 -9.839 1.00 0.00 ATOM 85 CA ASP 13 -10.213 -2.906 -10.329 1.00 0.00 ATOM 86 CB ASP 13 -10.690 -1.860 -11.294 1.00 0.00 ATOM 87 CG ASP 13 -11.249 -2.518 -12.534 1.00 0.00 ATOM 88 OD1 ASP 13 -10.671 -3.509 -13.052 1.00 0.00 ATOM 89 OD2 ASP 13 -12.271 -1.975 -13.040 1.00 0.00 ATOM 90 O ASP 13 -8.555 -1.495 -9.318 1.00 0.00 ATOM 91 C ASP 13 -9.434 -2.337 -9.142 1.00 0.00 ATOM 92 N GLY 14 -9.788 -2.815 -7.959 1.00 0.00 ATOM 93 CA GLY 14 -9.133 -2.364 -6.742 1.00 0.00 ATOM 94 O GLY 14 -8.858 -4.712 -6.319 1.00 0.00 ATOM 95 C GLY 14 -8.521 -3.567 -6.021 1.00 0.00 ATOM 96 N LEU 15 -7.633 -3.265 -5.085 1.00 0.00 ATOM 97 CA LEU 15 -6.972 -4.307 -4.318 1.00 0.00 ATOM 98 CB LEU 15 -5.558 -4.610 -4.836 1.00 0.00 ATOM 99 CG LEU 15 -5.448 -4.921 -6.324 1.00 0.00 ATOM 100 CD1 LEU 15 -3.995 -5.158 -6.696 1.00 0.00 ATOM 101 CD2 LEU 15 -6.307 -6.088 -6.699 1.00 0.00 ATOM 102 O LEU 15 -6.617 -2.713 -2.557 1.00 0.00 ATOM 103 C LEU 15 -6.885 -3.878 -2.852 1.00 0.00 ATOM 104 N VAL 16 -7.115 -4.843 -1.972 1.00 0.00 ATOM 105 CA VAL 16 -7.066 -4.580 -0.545 1.00 0.00 ATOM 106 CB VAL 16 -8.342 -5.112 0.129 1.00 0.00 ATOM 107 CG1 VAL 16 -8.277 -5.002 1.618 1.00 0.00 ATOM 108 CG2 VAL 16 -9.551 -4.430 -0.454 1.00 0.00 ATOM 109 O VAL 16 -5.605 -6.461 -0.238 1.00 0.00 ATOM 110 C VAL 16 -5.856 -5.294 0.059 1.00 0.00 ATOM 111 N LEU 17 -5.134 -4.563 0.897 1.00 0.00 ATOM 112 CA LEU 17 -3.955 -5.113 1.545 1.00 0.00 ATOM 113 CB LEU 17 -2.685 -4.510 0.945 1.00 0.00 ATOM 114 CG LEU 17 -1.360 -4.980 1.551 1.00 0.00 ATOM 115 CD1 LEU 17 -1.165 -6.471 1.324 1.00 0.00 ATOM 116 CD2 LEU 17 -0.188 -4.246 0.917 1.00 0.00 ATOM 117 O LEU 17 -4.470 -3.721 3.435 1.00 0.00 ATOM 118 C LEU 17 -4.004 -4.790 3.041 1.00 0.00 ATOM 119 N ARG 18 -3.520 -5.735 3.833 1.00 0.00 ATOM 120 CA ARG 18 -3.501 -5.564 5.276 1.00 0.00 ATOM 121 CB ARG 18 -4.257 -6.739 5.993 1.00 0.00 ATOM 122 CG ARG 18 -4.967 -6.356 7.304 1.00 0.00 ATOM 123 CD ARG 18 -5.026 -7.503 8.324 1.00 0.00 ATOM 124 NE ARG 18 -6.251 -7.423 9.123 1.00 0.00 ATOM 125 CZ ARG 18 -7.326 -8.197 8.942 1.00 0.00 ATOM 126 NH1 ARG 18 -7.508 -8.815 7.779 1.00 0.00 ATOM 127 NH2 ARG 18 -8.338 -8.142 9.808 1.00 0.00 ATOM 128 O ARG 18 -1.141 -5.833 5.611 1.00 0.00 ATOM 129 C ARG 18 -2.116 -5.090 5.714 1.00 0.00 ATOM 130 N LEU 19 -2.071 -3.857 6.191 1.00 0.00 ATOM 131 CA LEU 19 -0.819 -3.274 6.647 1.00 0.00 ATOM 132 CB LEU 19 -0.257 -2.357 5.611 1.00 0.00 ATOM 133 CG LEU 19 0.195 -3.069 4.332 1.00 0.00 ATOM 134 CD1 LEU 19 0.759 -2.052 3.383 1.00 0.00 ATOM 135 CD2 LEU 19 1.237 -4.112 4.645 1.00 0.00 ATOM 136 O LEU 19 -2.273 -1.850 7.922 1.00 0.00 ATOM 137 C LEU 19 -1.117 -2.103 7.586 1.00 0.00 ATOM 138 N TYR 20 -0.067 -1.416 7.985 1.00 0.00 ATOM 139 CA TYR 20 -0.190 -0.304 8.859 1.00 0.00 ATOM 140 CB TYR 20 1.106 0.146 9.466 1.00 0.00 ATOM 141 CG TYR 20 1.414 -0.822 10.563 1.00 0.00 ATOM 142 CD1 TYR 20 0.369 -1.570 11.095 1.00 0.00 ATOM 143 CD2 TYR 20 2.703 -1.030 11.043 1.00 0.00 ATOM 144 CE1 TYR 20 0.588 -2.466 12.133 1.00 0.00 ATOM 145 CE2 TYR 20 2.943 -1.934 12.079 1.00 0.00 ATOM 146 CZ TYR 20 1.881 -2.663 12.612 1.00 0.00 ATOM 147 OH TYR 20 2.078 -3.540 13.643 1.00 0.00 ATOM 148 O TYR 20 -0.561 0.851 6.831 1.00 0.00 ATOM 149 C TYR 20 -0.638 0.862 8.044 1.00 0.00 ATOM 150 N ILE 21 -1.074 1.870 8.765 1.00 0.00 ATOM 151 CA ILE 21 -1.606 3.083 8.146 1.00 0.00 ATOM 152 CB ILE 21 -2.025 4.117 9.141 1.00 0.00 ATOM 153 CG1 ILE 21 -3.345 3.716 9.805 1.00 0.00 ATOM 154 CG2 ILE 21 -2.245 5.491 8.505 1.00 0.00 ATOM 155 CD1 ILE 21 -3.773 4.668 10.923 1.00 0.00 ATOM 156 O ILE 21 -0.763 4.216 6.197 1.00 0.00 ATOM 157 C ILE 21 -0.521 3.793 7.330 1.00 0.00 ATOM 158 N GLN 22 0.675 3.891 7.913 1.00 0.00 ATOM 159 CA GLN 22 1.803 4.532 7.227 1.00 0.00 ATOM 160 CB GLN 22 2.791 5.080 8.285 1.00 0.00 ATOM 161 CG GLN 22 2.152 6.045 9.276 1.00 0.00 ATOM 162 CD GLN 22 3.151 6.677 10.225 1.00 0.00 ATOM 163 OE1 GLN 22 3.230 7.900 10.328 1.00 0.00 ATOM 164 NE2 GLN 22 3.904 5.851 10.933 1.00 0.00 ATOM 165 O GLN 22 2.571 2.547 6.099 1.00 0.00 ATOM 166 C GLN 22 2.209 3.716 5.979 1.00 0.00 ATOM 167 N PRO 23 2.184 4.283 4.811 1.00 0.00 ATOM 168 CA PRO 23 2.550 3.586 3.560 1.00 0.00 ATOM 169 CB PRO 23 1.999 4.464 2.499 1.00 0.00 ATOM 170 CG PRO 23 0.631 4.784 3.059 1.00 0.00 ATOM 171 CD PRO 23 0.949 5.151 4.501 1.00 0.00 ATOM 172 O PRO 23 4.646 4.570 3.912 1.00 0.00 ATOM 173 C PRO 23 4.062 3.530 3.536 1.00 0.00 ATOM 174 N LYS 24 5.013 4.373 1.751 1.00 0.00 ATOM 175 CA LYS 24 6.337 3.818 1.535 1.00 0.00 ATOM 176 CB LYS 24 6.324 3.103 0.267 1.00 0.00 ATOM 177 CG LYS 24 5.976 1.664 0.625 1.00 0.00 ATOM 178 CD LYS 24 4.482 1.400 0.487 1.00 0.00 ATOM 179 CE LYS 24 4.003 1.654 -0.941 1.00 0.00 ATOM 180 NZ LYS 24 2.535 1.437 -1.100 1.00 0.00 ATOM 181 O LYS 24 7.082 5.602 0.112 1.00 0.00 ATOM 182 C LYS 24 7.295 4.937 1.127 1.00 0.00 ATOM 183 N ALA 25 8.328 5.116 1.936 1.00 0.00 ATOM 184 CA ALA 25 9.319 6.145 1.673 1.00 0.00 ATOM 185 CB ALA 25 10.333 6.197 2.808 1.00 0.00 ATOM 186 O ALA 25 9.960 4.711 -0.145 1.00 0.00 ATOM 187 C ALA 25 10.227 5.711 0.519 1.00 0.00 ATOM 188 N SER 26 11.282 6.488 0.315 1.00 0.00 ATOM 189 CA SER 26 12.230 6.196 -0.746 1.00 0.00 ATOM 190 CB SER 26 13.546 6.990 -0.421 1.00 0.00 ATOM 191 OG SER 26 13.347 8.398 -0.207 1.00 0.00 ATOM 192 O SER 26 12.508 3.841 -0.380 1.00 0.00 ATOM 193 C SER 26 12.158 4.725 -1.159 1.00 0.00 ATOM 194 N ARG 27 11.703 4.508 -2.384 1.00 0.00 ATOM 195 CA ARG 27 11.580 3.160 -2.910 1.00 0.00 ATOM 196 CB ARG 27 12.883 2.384 -2.704 1.00 0.00 ATOM 197 CG ARG 27 14.062 2.935 -3.491 1.00 0.00 ATOM 198 CD ARG 27 15.326 2.133 -3.223 1.00 0.00 ATOM 199 NE ARG 27 16.474 2.661 -3.958 1.00 0.00 ATOM 200 CZ ARG 27 17.714 2.203 -3.832 1.00 0.00 ATOM 201 NH1 ARG 27 18.696 2.745 -4.541 1.00 0.00 ATOM 202 NH2 ARG 27 17.972 1.203 -3.000 1.00 0.00 ATOM 203 O ARG 27 10.601 2.044 -1.023 1.00 0.00 ATOM 204 C ARG 27 10.448 2.434 -2.181 1.00 0.00 ATOM 205 N ASP 28 9.339 2.274 -2.887 1.00 0.00 ATOM 206 CA ASP 28 8.184 1.601 -2.321 1.00 0.00 ATOM 207 CB ASP 28 7.253 1.122 -3.422 1.00 0.00 ATOM 208 CG ASP 28 6.030 0.397 -2.889 1.00 0.00 ATOM 209 OD1 ASP 28 5.920 0.081 -1.681 1.00 0.00 ATOM 210 OD2 ASP 28 5.131 0.126 -3.717 1.00 0.00 ATOM 211 O ASP 28 8.993 -0.633 -1.980 1.00 0.00 ATOM 212 C ASP 28 8.607 0.413 -1.459 1.00 0.00 ATOM 213 N SER 29 8.521 0.609 -0.152 1.00 0.00 ATOM 214 CA SER 29 8.890 -0.434 0.788 1.00 0.00 ATOM 215 CB SER 29 10.105 -0.016 1.693 1.00 0.00 ATOM 216 OG SER 29 11.255 0.375 0.948 1.00 0.00 ATOM 217 O SER 29 7.261 -0.413 2.554 1.00 0.00 ATOM 218 C SER 29 7.661 -0.967 1.530 1.00 0.00 ATOM 219 N ILE 30 7.098 -2.035 0.985 1.00 0.00 ATOM 220 CA ILE 30 5.924 -2.648 1.580 1.00 0.00 ATOM 221 CB ILE 30 4.644 -1.709 1.351 1.00 0.00 ATOM 222 CG1 ILE 30 3.456 -2.000 2.300 1.00 0.00 ATOM 223 CG2 ILE 30 4.215 -1.806 -0.077 1.00 0.00 ATOM 224 CD1 ILE 30 3.612 -1.521 3.701 1.00 0.00 ATOM 225 O ILE 30 5.557 -4.630 0.276 1.00 0.00 ATOM 226 C ILE 30 5.964 -4.157 1.336 1.00 0.00 ATOM 227 N VAL 31 6.470 -4.892 2.364 1.00 0.00 ATOM 228 CA VAL 31 6.566 -6.340 2.270 1.00 0.00 ATOM 229 CB VAL 31 7.493 -6.914 3.360 1.00 0.00 ATOM 230 CG1 VAL 31 8.901 -6.360 3.210 1.00 0.00 ATOM 231 CG2 VAL 31 6.977 -6.546 4.744 1.00 0.00 ATOM 232 O VAL 31 4.178 -6.303 2.502 1.00 0.00 ATOM 233 C VAL 31 5.193 -6.993 2.436 1.00 0.00 ATOM 234 N GLY 32 5.206 -8.317 2.494 1.00 0.00 ATOM 235 CA GLY 32 3.974 -9.070 2.648 1.00 0.00 ATOM 236 O GLY 32 4.349 -8.891 5.013 1.00 0.00 ATOM 237 C GLY 32 3.527 -9.049 4.112 1.00 0.00 ATOM 238 N LEU 33 2.266 -9.204 4.332 1.00 0.00 ATOM 239 CA LEU 33 1.612 -9.217 5.656 1.00 0.00 ATOM 240 CB LEU 33 0.121 -9.003 5.461 1.00 0.00 ATOM 241 CG LEU 33 -0.844 -9.349 6.603 1.00 0.00 ATOM 242 CD1 LEU 33 -0.946 -8.188 7.543 1.00 0.00 ATOM 243 CD2 LEU 33 -2.211 -9.650 6.036 1.00 0.00 ATOM 244 O LEU 33 1.552 -11.628 5.702 1.00 0.00 ATOM 245 C LEU 33 1.777 -10.579 6.325 1.00 0.00 ATOM 246 N HIS 34 2.172 -10.565 7.577 1.00 0.00 ATOM 247 CA HIS 34 2.288 -11.798 8.371 1.00 0.00 ATOM 248 CB HIS 34 3.677 -11.879 9.001 1.00 0.00 ATOM 249 CG HIS 34 4.796 -11.660 8.029 1.00 0.00 ATOM 250 CD2 HIS 34 5.726 -10.679 7.948 1.00 0.00 ATOM 251 ND1 HIS 34 5.041 -12.508 6.971 1.00 0.00 ATOM 252 CE1 HIS 34 6.071 -12.058 6.277 1.00 0.00 ATOM 253 NE2 HIS 34 6.506 -10.949 6.848 1.00 0.00 ATOM 254 O HIS 34 1.085 -10.787 10.188 1.00 0.00 ATOM 255 C HIS 34 1.173 -11.736 9.395 1.00 0.00 ATOM 256 N GLY 35 0.327 -12.745 9.334 1.00 0.00 ATOM 257 CA GLY 35 -0.833 -12.805 10.206 1.00 0.00 ATOM 258 O GLY 35 -2.185 -11.324 8.915 1.00 0.00 ATOM 259 C GLY 35 -1.763 -11.623 10.030 1.00 0.00 ATOM 260 N ASP 36 -2.093 -10.943 11.133 1.00 0.00 ATOM 261 CA ASP 36 -2.971 -9.797 11.047 1.00 0.00 ATOM 262 CB ASP 36 -3.941 -9.841 12.231 1.00 0.00 ATOM 263 CG ASP 36 -3.233 -9.763 13.579 1.00 0.00 ATOM 264 OD1 ASP 36 -2.636 -10.753 14.001 1.00 0.00 ATOM 265 OD2 ASP 36 -3.251 -8.694 14.190 1.00 0.00 ATOM 266 O ASP 36 -2.740 -7.500 10.508 1.00 0.00 ATOM 267 C ASP 36 -2.175 -8.514 10.964 1.00 0.00 ATOM 268 N GLU 37 -0.921 -8.535 11.381 1.00 0.00 ATOM 269 CA GLU 37 -0.116 -7.324 11.369 1.00 0.00 ATOM 270 CB GLU 37 0.942 -7.314 12.509 1.00 0.00 ATOM 271 CG GLU 37 0.401 -7.171 13.925 1.00 0.00 ATOM 272 CD GLU 37 0.314 -8.501 14.710 1.00 0.00 ATOM 273 OE1 GLU 37 1.034 -9.482 14.377 1.00 0.00 ATOM 274 OE2 GLU 37 -0.491 -8.556 15.678 1.00 0.00 ATOM 275 O GLU 37 0.903 -8.123 9.415 1.00 0.00 ATOM 276 C GLU 37 0.642 -7.160 10.097 1.00 0.00 ATOM 277 N VAL 38 0.987 -5.924 9.815 1.00 0.00 ATOM 278 CA VAL 38 1.717 -5.614 8.601 1.00 0.00 ATOM 279 CB VAL 38 1.319 -5.793 7.355 1.00 0.00 ATOM 280 CG1 VAL 38 1.899 -4.749 6.383 1.00 0.00 ATOM 281 CG2 VAL 38 1.965 -7.134 7.007 1.00 0.00 ATOM 282 O VAL 38 2.144 -3.514 9.553 1.00 0.00 ATOM 283 C VAL 38 2.568 -4.414 8.819 1.00 0.00 ATOM 284 N LYS 39 3.759 -4.466 8.235 1.00 0.00 ATOM 285 CA LYS 39 4.760 -3.414 8.337 1.00 0.00 ATOM 286 CB LYS 39 6.127 -3.965 8.756 1.00 0.00 ATOM 287 CG LYS 39 6.102 -4.358 10.254 1.00 0.00 ATOM 288 CD LYS 39 7.525 -4.498 10.759 1.00 0.00 ATOM 289 CE LYS 39 7.526 -5.317 12.057 1.00 0.00 ATOM 290 NZ LYS 39 8.723 -6.222 12.000 1.00 0.00 ATOM 291 O LYS 39 4.827 -3.519 5.954 1.00 0.00 ATOM 292 C LYS 39 4.874 -2.760 6.985 1.00 0.00 ATOM 293 N VAL 40 5.761 -1.157 6.916 1.00 0.00 ATOM 294 CA VAL 40 5.997 -0.378 5.714 1.00 0.00 ATOM 295 CB VAL 40 4.931 0.700 5.520 1.00 0.00 ATOM 296 CG1 VAL 40 5.262 1.493 4.246 1.00 0.00 ATOM 297 CG2 VAL 40 3.538 0.088 5.454 1.00 0.00 ATOM 298 O VAL 40 7.546 1.025 6.894 1.00 0.00 ATOM 299 C VAL 40 7.298 0.407 5.859 1.00 0.00 ATOM 300 N ALA 41 8.112 0.383 4.857 1.00 0.00 ATOM 301 CA ALA 41 9.412 1.076 4.788 1.00 0.00 ATOM 302 CB ALA 41 10.071 0.854 3.434 1.00 0.00 ATOM 303 O ALA 41 8.083 3.057 4.296 1.00 0.00 ATOM 304 C ALA 41 9.095 2.621 4.825 1.00 0.00 ATOM 305 N ILE 42 9.998 3.287 5.581 1.00 0.00 ATOM 306 CA ILE 42 9.755 4.776 5.678 1.00 0.00 ATOM 307 CB ILE 42 9.934 5.219 7.120 1.00 0.00 ATOM 308 CG1 ILE 42 8.962 4.412 7.989 1.00 0.00 ATOM 309 CG2 ILE 42 9.702 6.727 7.174 1.00 0.00 ATOM 310 CD1 ILE 42 8.016 5.225 8.830 1.00 0.00 ATOM 311 O ILE 42 12.156 4.810 5.257 1.00 0.00 ATOM 312 C ILE 42 11.070 5.410 5.249 1.00 0.00 ATOM 313 N THR 43 10.753 6.654 3.889 1.00 0.00 ATOM 314 CA THR 43 11.317 7.986 3.993 1.00 0.00 ATOM 315 CB THR 43 11.473 8.868 3.119 1.00 0.00 ATOM 316 CG2 THR 43 11.573 10.274 3.691 1.00 0.00 ATOM 317 OG1 THR 43 12.747 8.449 2.618 1.00 0.00 ATOM 318 O THR 43 9.813 8.277 5.828 1.00 0.00 ATOM 319 C THR 43 10.881 8.603 5.354 1.00 0.00 ATOM 320 N ALA 44 11.717 9.468 5.842 1.00 0.00 ATOM 321 CA ALA 44 11.515 10.164 7.108 1.00 0.00 ATOM 322 CB ALA 44 12.782 10.894 7.494 1.00 0.00 ATOM 323 O ALA 44 9.666 11.229 8.205 1.00 0.00 ATOM 324 C ALA 44 10.304 11.103 7.164 1.00 0.00 ATOM 325 N PRO 45 10.029 11.783 6.017 1.00 0.00 ATOM 326 CA PRO 45 8.926 12.723 5.920 1.00 0.00 ATOM 327 CB PRO 45 9.302 13.687 4.845 1.00 0.00 ATOM 328 CG PRO 45 10.811 13.736 4.976 1.00 0.00 ATOM 329 CD PRO 45 11.117 12.246 5.080 1.00 0.00 ATOM 330 O PRO 45 6.560 12.500 6.268 1.00 0.00 ATOM 331 C PRO 45 7.588 11.985 5.830 1.00 0.00 ATOM 332 N PRO 46 7.644 10.761 5.241 1.00 0.00 ATOM 333 CA PRO 46 6.450 9.948 5.086 1.00 0.00 ATOM 334 CB PRO 46 6.865 8.902 4.032 1.00 0.00 ATOM 335 CG PRO 46 7.737 9.725 3.101 1.00 0.00 ATOM 336 CD PRO 46 8.574 10.593 4.095 1.00 0.00 ATOM 337 O PRO 46 4.850 9.314 6.763 1.00 0.00 ATOM 338 C PRO 46 6.032 9.325 6.420 1.00 0.00 ATOM 339 N VAL 47 7.026 8.823 7.139 1.00 0.00 ATOM 340 CA VAL 47 6.779 8.201 8.429 1.00 0.00 ATOM 341 CB VAL 47 7.625 6.783 8.283 1.00 0.00 ATOM 342 CG1 VAL 47 7.668 5.950 9.561 1.00 0.00 ATOM 343 CG2 VAL 47 7.016 5.963 7.146 1.00 0.00 ATOM 344 O VAL 47 6.180 8.947 10.632 1.00 0.00 ATOM 345 C VAL 47 6.343 9.252 9.450 1.00 0.00 ATOM 346 N ASP 48 6.166 10.481 8.954 1.00 0.00 ATOM 347 CA ASP 48 5.755 11.573 9.818 1.00 0.00 ATOM 348 CB ASP 48 7.115 12.494 9.896 1.00 0.00 ATOM 349 CG ASP 48 8.356 11.744 10.348 1.00 0.00 ATOM 350 OD1 ASP 48 8.237 10.565 10.756 1.00 0.00 ATOM 351 OD2 ASP 48 9.455 12.332 10.287 1.00 0.00 ATOM 352 O ASP 48 3.832 12.808 10.480 1.00 0.00 ATOM 353 C ASP 48 4.305 12.006 9.658 1.00 0.00 ATOM 354 N GLY 49 3.595 11.516 8.641 1.00 0.00 ATOM 355 CA GLY 49 2.265 12.017 8.334 1.00 0.00 ATOM 356 O GLY 49 1.079 12.119 6.249 1.00 0.00 ATOM 357 C GLY 49 2.131 12.341 6.845 1.00 0.00 ATOM 358 N GLN 50 3.215 12.862 6.287 1.00 0.00 ATOM 359 CA GLN 50 3.233 13.218 4.879 1.00 0.00 ATOM 360 CB GLN 50 4.553 13.997 4.567 1.00 0.00 ATOM 361 CG GLN 50 4.529 15.394 5.161 1.00 0.00 ATOM 362 CD GLN 50 5.803 16.178 4.862 1.00 0.00 ATOM 363 OE1 GLN 50 6.077 16.524 3.714 1.00 0.00 ATOM 364 NE2 GLN 50 6.607 16.427 5.887 1.00 0.00 ATOM 365 O GLN 50 2.402 12.118 2.913 1.00 0.00 ATOM 366 C GLN 50 2.878 11.989 4.039 1.00 0.00 ATOM 367 N ALA 51 3.122 10.825 4.624 1.00 0.00 ATOM 368 CA ALA 51 2.836 9.572 3.945 1.00 0.00 ATOM 369 CB ALA 51 2.646 8.512 5.282 1.00 0.00 ATOM 370 O ALA 51 1.180 8.960 2.318 1.00 0.00 ATOM 371 C ALA 51 1.453 9.655 3.294 1.00 0.00 ATOM 372 N ASN 52 0.616 10.509 3.863 1.00 0.00 ATOM 373 CA ASN 52 -0.732 10.693 3.352 1.00 0.00 ATOM 374 CB ASN 52 -1.529 11.627 4.265 1.00 0.00 ATOM 375 CG ASN 52 -1.907 10.970 5.578 1.00 0.00 ATOM 376 ND2 ASN 52 -1.238 9.871 5.906 1.00 0.00 ATOM 377 OD1 ASN 52 -2.792 11.448 6.290 1.00 0.00 ATOM 378 O ASN 52 -1.119 10.700 0.983 1.00 0.00 ATOM 379 C ASN 52 -0.663 11.305 1.952 1.00 0.00 ATOM 380 N SER 53 -0.086 12.496 1.889 1.00 0.00 ATOM 381 CA SER 53 0.048 13.196 0.623 1.00 0.00 ATOM 382 CB SER 53 0.442 14.656 0.857 1.00 0.00 ATOM 383 OG SER 53 1.736 14.750 1.428 1.00 0.00 ATOM 384 O SER 53 1.047 12.558 -1.465 1.00 0.00 ATOM 385 C SER 53 1.126 12.534 -0.238 1.00 0.00 ATOM 386 N HIS 54 2.104 11.953 0.438 1.00 0.00 ATOM 387 CA HIS 54 3.196 11.285 -0.249 1.00 0.00 ATOM 388 CB HIS 54 4.524 11.150 0.563 1.00 0.00 ATOM 389 CG HIS 54 5.201 12.519 0.637 1.00 0.00 ATOM 390 CD2 HIS 54 6.376 12.976 0.138 1.00 0.00 ATOM 391 ND1 HIS 54 4.525 13.552 1.179 1.00 0.00 ATOM 392 CE1 HIS 54 5.330 14.663 1.108 1.00 0.00 ATOM 393 NE2 HIS 54 6.427 14.337 0.508 1.00 0.00 ATOM 394 O HIS 54 3.230 9.591 -1.949 1.00 0.00 ATOM 395 C HIS 54 2.695 10.007 -0.923 1.00 0.00 ATOM 396 N LEU 55 1.666 9.421 -0.311 1.00 0.00 ATOM 397 CA LEU 55 1.093 8.199 -0.853 1.00 0.00 ATOM 398 CB LEU 55 -0.427 8.024 -0.208 1.00 0.00 ATOM 399 CG LEU 55 -1.104 6.679 0.076 1.00 0.00 ATOM 400 CD1 LEU 55 -0.522 6.023 1.300 1.00 0.00 ATOM 401 CD2 LEU 55 -2.608 6.914 0.284 1.00 0.00 ATOM 402 O LEU 55 0.518 7.624 -3.165 1.00 0.00 ATOM 403 C LEU 55 0.395 8.442 -2.239 1.00 0.00 ATOM 404 N VAL 56 -0.351 9.546 -2.332 1.00 0.00 ATOM 405 CA VAL 56 -1.055 9.895 -3.570 1.00 0.00 ATOM 406 CB VAL 56 -2.041 11.059 -3.350 1.00 0.00 ATOM 407 CG1 VAL 56 -2.619 11.524 -4.678 1.00 0.00 ATOM 408 CG2 VAL 56 -3.189 10.621 -2.454 1.00 0.00 ATOM 409 O VAL 56 -0.238 9.946 -5.824 1.00 0.00 ATOM 410 C VAL 56 -0.043 10.324 -4.660 1.00 0.00 ATOM 411 N LYS 57 1.008 11.074 -4.335 1.00 0.00 ATOM 412 CA LYS 57 2.017 11.407 -5.328 1.00 0.00 ATOM 413 CB LYS 57 2.933 12.517 -4.809 1.00 0.00 ATOM 414 CG LYS 57 4.007 12.946 -5.796 1.00 0.00 ATOM 415 CD LYS 57 4.842 14.087 -5.240 1.00 0.00 ATOM 416 CE LYS 57 5.925 14.508 -6.220 1.00 0.00 ATOM 417 NZ LYS 57 6.744 15.635 -5.694 1.00 0.00 ATOM 418 O LYS 57 2.922 9.716 -6.772 1.00 0.00 ATOM 419 C LYS 57 2.859 10.165 -5.629 1.00 0.00 ATOM 420 N PHE 58 3.486 9.647 -4.584 1.00 0.00 ATOM 421 CA PHE 58 4.321 8.464 -4.723 1.00 0.00 ATOM 422 CB PHE 58 5.248 8.320 -3.514 1.00 0.00 ATOM 423 CG PHE 58 6.343 9.346 -3.463 1.00 0.00 ATOM 424 CD1 PHE 58 6.218 10.477 -2.677 1.00 0.00 ATOM 425 CD2 PHE 58 7.501 9.180 -4.203 1.00 0.00 ATOM 426 CE1 PHE 58 7.225 11.422 -2.632 1.00 0.00 ATOM 427 CE2 PHE 58 8.510 10.124 -4.155 1.00 0.00 ATOM 428 CZ PHE 58 8.376 11.241 -3.376 1.00 0.00 ATOM 429 O PHE 58 3.483 6.509 -5.833 1.00 0.00 ATOM 430 C PHE 58 3.454 7.208 -4.823 1.00 0.00 ATOM 431 N LEU 59 2.698 6.965 -3.761 1.00 0.00 ATOM 432 CA LEU 59 1.824 5.805 -3.717 1.00 0.00 ATOM 433 CB LEU 59 0.763 5.881 -2.670 1.00 0.00 ATOM 434 CG LEU 59 -0.126 4.638 -2.552 1.00 0.00 ATOM 435 CD1 LEU 59 -0.110 4.111 -1.126 1.00 0.00 ATOM 436 CD2 LEU 59 -1.543 4.958 -3.003 1.00 0.00 ATOM 437 O LEU 59 1.196 4.529 -5.652 1.00 0.00 ATOM 438 C LEU 59 1.113 5.603 -5.058 1.00 0.00 ATOM 439 N GLY 60 0.433 6.652 -5.495 1.00 0.00 ATOM 440 CA GLY 60 -0.291 6.603 -6.753 1.00 0.00 ATOM 441 O GLY 60 0.345 5.667 -8.872 1.00 0.00 ATOM 442 C GLY 60 0.682 6.354 -7.906 1.00 0.00 ATOM 443 N LYS 61 1.871 6.924 -7.770 1.00 0.00 ATOM 444 CA LYS 61 2.895 6.772 -8.789 1.00 0.00 ATOM 445 CB LYS 61 3.969 7.851 -8.636 1.00 0.00 ATOM 446 CG LYS 61 5.055 7.800 -9.697 1.00 0.00 ATOM 447 CD LYS 61 6.055 8.932 -9.517 1.00 0.00 ATOM 448 CE LYS 61 7.150 8.872 -10.568 1.00 0.00 ATOM 449 NZ LYS 61 8.131 9.982 -10.412 1.00 0.00 ATOM 450 O LYS 61 3.820 4.742 -9.678 1.00 0.00 ATOM 451 C LYS 61 3.563 5.399 -8.671 1.00 0.00 ATOM 452 N GLN 62 3.823 5.011 -7.432 1.00 0.00 ATOM 453 CA GLN 62 4.461 3.722 -7.162 1.00 0.00 ATOM 454 CB GLN 62 4.590 3.383 -5.732 1.00 0.00 ATOM 455 CG GLN 62 5.774 2.424 -5.538 1.00 0.00 ATOM 456 CD GLN 62 7.140 3.001 -5.917 1.00 0.00 ATOM 457 OE1 GLN 62 7.415 4.121 -5.441 1.00 0.00 ATOM 458 NE2 GLN 62 7.971 2.333 -6.711 1.00 0.00 ATOM 459 O GLN 62 4.023 1.566 -8.121 1.00 0.00 ATOM 460 C GLN 62 3.564 2.555 -7.541 1.00 0.00 ATOM 461 N PHE 63 2.277 2.663 -7.236 1.00 0.00 ATOM 462 CA PHE 63 1.312 1.623 -7.582 1.00 0.00 ATOM 463 CB PHE 63 0.184 1.695 -6.385 1.00 0.00 ATOM 464 CG PHE 63 0.592 1.150 -5.034 1.00 0.00 ATOM 465 CD1 PHE 63 1.139 1.978 -4.069 1.00 0.00 ATOM 466 CD2 PHE 63 0.436 -0.200 -4.742 1.00 0.00 ATOM 467 CE1 PHE 63 1.528 1.475 -2.827 1.00 0.00 ATOM 468 CE2 PHE 63 0.823 -0.719 -3.500 1.00 0.00 ATOM 469 CZ PHE 63 1.370 0.122 -2.543 1.00 0.00 ATOM 470 O PHE 63 0.309 0.599 -9.497 1.00 0.00 ATOM 471 C PHE 63 0.890 1.586 -9.046 1.00 0.00 ATOM 472 N ARG 64 1.169 2.659 -9.779 1.00 0.00 ATOM 473 CA ARG 64 0.807 2.704 -11.186 1.00 0.00 ATOM 474 CB ARG 64 1.102 1.361 -11.858 1.00 0.00 ATOM 475 CG ARG 64 2.577 0.995 -11.893 1.00 0.00 ATOM 476 CD ARG 64 2.791 -0.372 -12.522 1.00 0.00 ATOM 477 NE ARG 64 2.426 -0.387 -13.936 1.00 0.00 ATOM 478 CZ ARG 64 2.300 -1.493 -14.663 1.00 0.00 ATOM 479 NH1 ARG 64 1.966 -1.410 -15.945 1.00 0.00 ATOM 480 NH2 ARG 64 2.509 -2.680 -14.108 1.00 0.00 ATOM 481 O ARG 64 -1.232 2.576 -12.430 1.00 0.00 ATOM 482 C ARG 64 -0.661 3.003 -11.426 1.00 0.00 ATOM 483 N VAL 65 -1.277 3.721 -10.495 1.00 0.00 ATOM 484 CA VAL 65 -2.679 4.085 -10.623 1.00 0.00 ATOM 485 CB VAL 65 -3.480 3.691 -9.368 1.00 0.00 ATOM 486 CG1 VAL 65 -2.851 4.286 -8.113 1.00 0.00 ATOM 487 CG2 VAL 65 -4.930 4.154 -9.509 1.00 0.00 ATOM 488 O VAL 65 -1.823 6.305 -10.278 1.00 0.00 ATOM 489 C VAL 65 -2.804 5.604 -10.544 1.00 0.00 ATOM 490 N ALA 66 -4.009 6.108 -10.789 1.00 0.00 ATOM 491 CA ALA 66 -4.257 7.544 -10.748 1.00 0.00 ATOM 492 CB ALA 66 -5.522 7.885 -11.517 1.00 0.00 ATOM 493 O ALA 66 -4.899 7.255 -8.455 1.00 0.00 ATOM 494 C ALA 66 -4.422 8.004 -9.308 1.00 0.00 ATOM 495 N LYS 67 -4.035 9.251 -9.015 1.00 0.00 ATOM 496 CA LYS 67 -4.178 9.725 -7.636 1.00 0.00 ATOM 497 CB LYS 67 -3.718 11.181 -7.520 1.00 0.00 ATOM 498 CG LYS 67 -4.626 12.176 -8.225 1.00 0.00 ATOM 499 CD LYS 67 -4.102 13.597 -8.083 1.00 0.00 ATOM 500 CE LYS 67 -5.012 14.591 -8.787 1.00 0.00 ATOM 501 NZ LYS 67 -4.505 15.987 -8.665 1.00 0.00 ATOM 502 O LYS 67 -5.855 9.416 -5.951 1.00 0.00 ATOM 503 C LYS 67 -5.615 9.667 -7.134 1.00 0.00 ATOM 504 N SER 68 -6.570 9.872 -8.036 1.00 0.00 ATOM 505 CA SER 68 -7.981 9.845 -7.653 1.00 0.00 ATOM 506 CB SER 68 -8.837 10.508 -8.744 1.00 0.00 ATOM 507 OG SER 68 -8.861 9.700 -9.908 1.00 0.00 ATOM 508 O SER 68 -9.648 8.313 -6.869 1.00 0.00 ATOM 509 C SER 68 -8.503 8.454 -7.339 1.00 0.00 ATOM 510 N GLN 69 -7.722 7.413 -7.577 1.00 0.00 ATOM 511 CA GLN 69 -8.085 6.035 -7.314 1.00 0.00 ATOM 512 CB GLN 69 -8.557 5.299 -8.523 1.00 0.00 ATOM 513 CG GLN 69 -9.962 5.726 -8.942 1.00 0.00 ATOM 514 CD GLN 69 -9.971 7.053 -9.654 1.00 0.00 ATOM 515 OE1 GLN 69 -9.069 7.351 -10.449 1.00 0.00 ATOM 516 NE2 GLN 69 -10.986 7.877 -9.362 1.00 0.00 ATOM 517 O GLN 69 -7.109 4.182 -6.136 1.00 0.00 ATOM 518 C GLN 69 -7.204 5.409 -6.237 1.00 0.00 ATOM 519 N VAL 70 -6.548 6.257 -5.451 1.00 0.00 ATOM 520 CA VAL 70 -5.668 5.783 -4.388 1.00 0.00 ATOM 521 CB VAL 70 -4.408 6.684 -4.259 1.00 0.00 ATOM 522 CG1 VAL 70 -3.570 6.263 -3.037 1.00 0.00 ATOM 523 CG2 VAL 70 -3.574 6.558 -5.533 1.00 0.00 ATOM 524 O VAL 70 -7.120 6.801 -2.773 1.00 0.00 ATOM 525 C VAL 70 -6.539 5.778 -3.143 1.00 0.00 ATOM 526 N VAL 71 -6.706 4.643 -2.465 1.00 0.00 ATOM 527 CA VAL 71 -7.541 4.597 -1.260 1.00 0.00 ATOM 528 CB VAL 71 -8.966 4.132 -1.592 1.00 0.00 ATOM 529 CG1 VAL 71 -9.633 5.144 -2.514 1.00 0.00 ATOM 530 CG2 VAL 71 -8.961 2.768 -2.245 1.00 0.00 ATOM 531 O VAL 71 -6.252 2.660 -0.705 1.00 0.00 ATOM 532 C VAL 71 -6.811 3.691 -0.282 1.00 0.00 ATOM 533 N ILE 72 -6.836 4.072 0.993 1.00 0.00 ATOM 534 CA ILE 72 -6.418 3.165 2.053 1.00 0.00 ATOM 535 CB ILE 72 -5.236 3.786 2.840 1.00 0.00 ATOM 536 CG1 ILE 72 -4.048 4.054 1.900 1.00 0.00 ATOM 537 CG2 ILE 72 -4.911 2.870 4.020 1.00 0.00 ATOM 538 CD1 ILE 72 -2.840 4.715 2.592 1.00 0.00 ATOM 539 O ILE 72 -8.254 3.960 3.395 1.00 0.00 ATOM 540 C ILE 72 -7.646 2.971 2.933 1.00 0.00 ATOM 541 N GLU 73 -8.595 1.550 3.419 1.00 0.00 ATOM 542 CA GLU 73 -9.866 0.905 3.714 1.00 0.00 ATOM 543 CB GLU 73 -10.110 -0.258 2.751 1.00 0.00 ATOM 544 CG GLU 73 -10.275 0.160 1.299 1.00 0.00 ATOM 545 CD GLU 73 -11.459 1.084 1.090 1.00 0.00 ATOM 546 OE1 GLU 73 -12.571 0.732 1.537 1.00 0.00 ATOM 547 OE2 GLU 73 -11.275 2.156 0.480 1.00 0.00 ATOM 548 O GLU 73 -9.271 0.999 6.039 1.00 0.00 ATOM 549 C GLU 73 -9.841 0.371 5.147 1.00 0.00 ATOM 550 N LYS 74 -10.466 -0.783 5.326 1.00 0.00 ATOM 551 CA LYS 74 -10.523 -1.408 6.636 1.00 0.00 ATOM 552 CB LYS 74 -9.821 -1.771 7.507 1.00 0.00 ATOM 553 CG LYS 74 -10.110 -3.249 7.777 1.00 0.00 ATOM 554 CD LYS 74 -9.431 -3.710 9.055 1.00 0.00 ATOM 555 CE LYS 74 -10.224 -4.818 9.727 1.00 0.00 ATOM 556 NZ LYS 74 -10.348 -4.599 11.193 1.00 0.00 ATOM 557 O LYS 74 -12.104 0.127 7.590 1.00 0.00 ATOM 558 C LYS 74 -10.992 -0.395 7.682 1.00 0.00 ATOM 559 N GLY 75 -10.123 -0.145 8.648 1.00 0.00 ATOM 560 CA GLY 75 -10.435 0.797 9.709 1.00 0.00 ATOM 561 O GLY 75 -8.401 1.054 10.960 1.00 0.00 ATOM 562 C GLY 75 -9.184 1.558 10.156 1.00 0.00 ATOM 563 N GLU 76 -9.033 2.756 9.611 1.00 0.00 ATOM 564 CA GLU 76 -7.890 3.589 9.943 1.00 0.00 ATOM 565 CB GLU 76 -8.174 4.747 8.628 1.00 0.00 ATOM 566 CG GLU 76 -9.279 5.639 9.136 1.00 0.00 ATOM 567 CD GLU 76 -9.727 6.639 8.083 1.00 0.00 ATOM 568 OE1 GLU 76 -10.567 6.279 7.229 1.00 0.00 ATOM 569 OE2 GLU 76 -9.228 7.785 8.104 1.00 0.00 ATOM 570 O GLU 76 -7.001 4.477 11.990 1.00 0.00 ATOM 571 C GLU 76 -8.000 4.093 11.384 1.00 0.00 ATOM 572 N LEU 77 -9.223 4.076 11.891 1.00 0.00 ATOM 573 CA LEU 77 -9.476 4.528 13.249 1.00 0.00 ATOM 574 CB LEU 77 -10.906 4.181 13.672 1.00 0.00 ATOM 575 CG LEU 77 -12.023 4.992 13.012 1.00 0.00 ATOM 576 CD1 LEU 77 -13.387 4.462 13.423 1.00 0.00 ATOM 577 CD2 LEU 77 -11.939 6.456 13.421 1.00 0.00 ATOM 578 O LEU 77 -8.002 4.463 15.142 1.00 0.00 ATOM 579 C LEU 77 -8.496 3.843 14.200 1.00 0.00 ATOM 580 N GLY 78 -8.242 2.571 13.926 1.00 0.00 ATOM 581 CA GLY 78 -7.327 1.795 14.745 1.00 0.00 ATOM 582 O GLY 78 -5.210 0.742 14.332 1.00 0.00 ATOM 583 C GLY 78 -5.979 1.653 14.036 1.00 0.00 ATOM 584 N ARG 79 -5.734 2.571 13.112 1.00 0.00 ATOM 585 CA ARG 79 -4.491 2.559 12.357 1.00 0.00 ATOM 586 CB ARG 79 -3.297 2.450 13.321 1.00 0.00 ATOM 587 CG ARG 79 -1.948 2.226 12.652 1.00 0.00 ATOM 588 CD ARG 79 -0.812 2.436 13.656 1.00 0.00 ATOM 589 NE ARG 79 -0.610 3.854 13.953 1.00 0.00 ATOM 590 CZ ARG 79 0.026 4.704 13.151 1.00 0.00 ATOM 591 NH1 ARG 79 0.536 4.282 12.002 1.00 0.00 ATOM 592 NH2 ARG 79 0.136 5.981 13.490 1.00 0.00 ATOM 593 O ARG 79 -4.142 1.561 10.201 1.00 0.00 ATOM 594 C ARG 79 -4.479 1.389 11.371 1.00 0.00 ATOM 595 N HIS 80 -4.852 0.223 11.883 1.00 0.00 ATOM 596 CA HIS 80 -4.886 -0.974 11.062 1.00 0.00 ATOM 597 CB HIS 80 -4.356 -2.150 11.965 1.00 0.00 ATOM 598 CG HIS 80 -5.350 -2.464 13.040 1.00 0.00 ATOM 599 CD2 HIS 80 -6.348 -3.378 13.090 1.00 0.00 ATOM 600 ND1 HIS 80 -5.452 -1.723 14.200 1.00 0.00 ATOM 601 CE1 HIS 80 -6.469 -2.167 14.916 1.00 0.00 ATOM 602 NE2 HIS 80 -7.031 -3.170 14.265 1.00 0.00 ATOM 603 O HIS 80 -7.234 -1.020 10.558 1.00 0.00 ATOM 604 C HIS 80 -6.089 -0.935 10.116 1.00 0.00 ATOM 605 N LYS 81 -5.787 -0.807 8.833 1.00 0.00 ATOM 606 CA LYS 81 -6.828 -0.755 7.820 1.00 0.00 ATOM 607 CB LYS 81 -6.254 0.182 6.812 1.00 0.00 ATOM 608 CG LYS 81 -6.807 1.525 7.310 1.00 0.00 ATOM 609 CD LYS 81 -6.743 2.642 6.285 1.00 0.00 ATOM 610 CE LYS 81 -7.326 3.920 6.907 1.00 0.00 ATOM 611 NZ LYS 81 -7.400 5.039 5.920 1.00 0.00 ATOM 612 O LYS 81 -5.385 -2.262 6.634 1.00 0.00 ATOM 613 C LYS 81 -6.367 -1.525 6.581 1.00 0.00 ATOM 614 N GLN 82 -7.102 -1.330 5.496 1.00 0.00 ATOM 615 CA GLN 82 -6.783 -1.998 4.246 1.00 0.00 ATOM 616 CB GLN 82 -7.740 -3.191 4.055 1.00 0.00 ATOM 617 CG GLN 82 -7.807 -4.202 5.188 1.00 0.00 ATOM 618 CD GLN 82 -8.965 -5.178 5.019 1.00 0.00 ATOM 619 OE1 GLN 82 -10.166 -4.813 5.031 1.00 0.00 ATOM 620 NE2 GLN 82 -8.638 -6.463 4.877 1.00 0.00 ATOM 621 O GLN 82 -7.517 -0.169 2.878 1.00 0.00 ATOM 622 C GLN 82 -6.622 -0.974 3.119 1.00 0.00 ATOM 623 N ILE 83 -5.472 -1.038 2.463 1.00 0.00 ATOM 624 CA ILE 83 -5.184 -0.128 1.370 1.00 0.00 ATOM 625 CB ILE 83 -3.666 0.050 1.169 1.00 0.00 ATOM 626 CG1 ILE 83 -3.023 0.622 2.433 1.00 0.00 ATOM 627 CG2 ILE 83 -3.391 1.000 0.013 1.00 0.00 ATOM 628 CD1 ILE 83 -1.511 0.597 2.413 1.00 0.00 ATOM 629 O ILE 83 -5.364 -1.730 -0.410 1.00 0.00 ATOM 630 C ILE 83 -5.786 -0.682 0.077 1.00 0.00 ATOM 631 N LYS 84 -6.764 0.045 -0.442 1.00 0.00 ATOM 632 CA LYS 84 -7.429 -0.359 -1.669 1.00 0.00 ATOM 633 CB LYS 84 -8.935 -0.124 -1.579 1.00 0.00 ATOM 634 CG LYS 84 -9.694 -0.332 -2.875 1.00 0.00 ATOM 635 CD LYS 84 -11.143 -0.727 -2.656 1.00 0.00 ATOM 636 CE LYS 84 -11.982 0.416 -2.114 1.00 0.00 ATOM 637 NZ LYS 84 -13.243 -0.062 -1.479 1.00 0.00 ATOM 638 O LYS 84 -6.929 1.607 -2.954 1.00 0.00 ATOM 639 C LYS 84 -6.833 0.382 -2.866 1.00 0.00 ATOM 640 N ILE 85 -6.229 -0.389 -3.759 1.00 0.00 ATOM 641 CA ILE 85 -5.617 0.181 -4.947 1.00 0.00 ATOM 642 CB ILE 85 -4.270 -0.515 -5.276 1.00 0.00 ATOM 643 CG1 ILE 85 -3.328 -0.450 -4.072 1.00 0.00 ATOM 644 CG2 ILE 85 -3.622 0.116 -6.492 1.00 0.00 ATOM 645 CD1 ILE 85 -2.204 -1.457 -4.125 1.00 0.00 ATOM 646 O ILE 85 -7.149 -1.021 -6.354 1.00 0.00 ATOM 647 C ILE 85 -6.583 0.047 -6.128 1.00 0.00 ATOM 648 N ILE 86 -6.741 1.147 -6.848 1.00 0.00 ATOM 649 CA ILE 86 -7.630 1.168 -7.997 1.00 0.00 ATOM 650 CB ILE 86 -8.435 2.466 -8.091 1.00 0.00 ATOM 651 CG1 ILE 86 -9.434 2.469 -6.901 1.00 0.00 ATOM 652 CG2 ILE 86 -9.175 2.568 -9.420 1.00 0.00 ATOM 653 CD1 ILE 86 -10.239 3.750 -6.794 1.00 0.00 ATOM 654 O ILE 86 -5.796 1.770 -9.426 1.00 0.00 ATOM 655 C ILE 86 -6.818 1.100 -9.294 1.00 0.00 ATOM 656 N ASN 87 -7.308 0.285 -10.218 1.00 0.00 ATOM 657 CA ASN 87 -6.643 0.123 -11.500 1.00 0.00 ATOM 658 CB ASN 87 -6.113 1.467 -12.003 1.00 0.00 ATOM 659 CG ASN 87 -6.047 1.538 -13.517 1.00 0.00 ATOM 660 ND2 ASN 87 -4.838 1.679 -14.048 1.00 0.00 ATOM 661 OD1 ASN 87 -7.070 1.467 -14.197 1.00 0.00 ATOM 662 O ASN 87 -4.809 -1.155 -12.381 1.00 0.00 ATOM 663 C ASN 87 -5.461 -0.843 -11.384 1.00 0.00 ATOM 664 N PRO 88 -5.219 -1.289 -10.161 1.00 0.00 ATOM 665 CA PRO 88 -4.128 -2.213 -9.903 1.00 0.00 ATOM 666 CB PRO 88 -3.261 -2.014 -9.076 1.00 0.00 ATOM 667 CG PRO 88 -3.412 -0.597 -8.561 1.00 0.00 ATOM 668 CD PRO 88 -3.919 0.124 -9.783 1.00 0.00 ATOM 669 O PRO 88 -5.840 -3.745 -9.208 1.00 0.00 ATOM 670 C PRO 88 -4.659 -3.593 -9.512 1.00 0.00 ATOM 671 N GLN 89 -3.758 -4.564 -9.530 1.00 0.00 ATOM 672 CA GLN 89 -4.120 -5.927 -9.179 1.00 0.00 ATOM 673 CB GLN 89 -4.090 -6.825 -10.418 1.00 0.00 ATOM 674 CG GLN 89 -5.150 -6.487 -11.454 1.00 0.00 ATOM 675 CD GLN 89 -5.047 -7.351 -12.694 1.00 0.00 ATOM 676 OE1 GLN 89 -4.164 -8.200 -12.799 1.00 0.00 ATOM 677 NE2 GLN 89 -5.957 -7.137 -13.640 1.00 0.00 ATOM 678 O GLN 89 -2.523 -5.762 -7.393 1.00 0.00 ATOM 679 C GLN 89 -3.148 -6.507 -8.148 1.00 0.00 ATOM 680 N GLN 90 -3.054 -7.828 -8.147 1.00 0.00 ATOM 681 CA GLN 90 -2.169 -8.514 -7.223 1.00 0.00 ATOM 682 CB GLN 90 -2.280 -10.122 -7.644 1.00 0.00 ATOM 683 CG GLN 90 -3.622 -10.830 -7.734 1.00 0.00 ATOM 684 CD GLN 90 -3.454 -12.290 -8.128 1.00 0.00 ATOM 685 OE1 GLN 90 -2.691 -12.616 -9.046 1.00 0.00 ATOM 686 NE2 GLN 90 -4.134 -13.183 -7.407 1.00 0.00 ATOM 687 O GLN 90 0.165 -7.965 -7.087 1.00 0.00 ATOM 688 C GLN 90 -0.730 -8.491 -7.747 1.00 0.00 ATOM 689 N ILE 91 -0.555 -9.065 -8.928 1.00 0.00 ATOM 690 CA ILE 91 0.759 -9.119 -9.546 1.00 0.00 ATOM 691 CB ILE 91 0.645 -9.717 -10.988 1.00 0.00 ATOM 692 CG1 ILE 91 0.052 -11.114 -10.937 1.00 0.00 ATOM 693 CG2 ILE 91 2.033 -9.708 -11.639 1.00 0.00 ATOM 694 CD1 ILE 91 -0.432 -11.565 -12.289 1.00 0.00 ATOM 695 O ILE 91 2.574 -7.563 -9.330 1.00 0.00 ATOM 696 C ILE 91 1.373 -7.716 -9.545 1.00 0.00 ATOM 697 N PRO 92 0.522 -6.731 -9.788 1.00 0.00 ATOM 698 CA PRO 92 0.966 -5.348 -9.818 1.00 0.00 ATOM 699 CB PRO 92 -0.003 -4.368 -10.176 1.00 0.00 ATOM 700 CG PRO 92 -1.078 -5.171 -10.955 1.00 0.00 ATOM 701 CD PRO 92 -0.993 -6.639 -10.425 1.00 0.00 ATOM 702 O PRO 92 2.878 -4.768 -8.484 1.00 0.00 ATOM 703 C PRO 92 1.673 -5.017 -8.502 1.00 0.00 ATOM 704 N PRO 93 0.891 -5.022 -7.431 1.00 0.00 ATOM 705 CA PRO 93 1.425 -4.723 -6.112 1.00 0.00 ATOM 706 CB PRO 93 0.413 -5.067 -5.127 1.00 0.00 ATOM 707 CG PRO 93 -0.811 -4.615 -5.838 1.00 0.00 ATOM 708 CD PRO 93 -0.628 -5.225 -7.212 1.00 0.00 ATOM 709 O PRO 93 3.665 -5.057 -5.314 1.00 0.00 ATOM 710 C PRO 93 2.666 -5.568 -5.821 1.00 0.00 ATOM 711 N GLU 94 2.563 -6.847 -6.154 1.00 0.00 ATOM 712 CA GLU 94 3.667 -7.767 -5.932 1.00 0.00 ATOM 713 CB GLU 94 3.462 -9.052 -6.544 1.00 0.00 ATOM 714 CG GLU 94 2.438 -9.910 -5.723 1.00 0.00 ATOM 715 CD GLU 94 2.009 -11.131 -6.523 1.00 0.00 ATOM 716 OE1 GLU 94 1.460 -10.975 -7.606 1.00 0.00 ATOM 717 OE2 GLU 94 2.296 -12.267 -6.069 1.00 0.00 ATOM 718 O GLU 94 5.986 -7.327 -6.369 1.00 0.00 ATOM 719 C GLU 94 4.845 -7.369 -6.824 1.00 0.00 ATOM 720 N VAL 95 4.540 -7.087 -8.079 1.00 0.00 ATOM 721 CA VAL 95 5.547 -6.687 -9.069 1.00 0.00 ATOM 722 CB VAL 95 4.877 -6.459 -10.471 1.00 0.00 ATOM 723 CG1 VAL 95 5.736 -5.567 -11.345 1.00 0.00 ATOM 724 CG2 VAL 95 4.646 -7.822 -11.173 1.00 0.00 ATOM 725 O VAL 95 7.496 -5.309 -8.682 1.00 0.00 ATOM 726 C VAL 95 6.264 -5.403 -8.610 1.00 0.00 ATOM 727 N ALA 96 5.498 -4.433 -8.121 1.00 0.00 ATOM 728 CA ALA 96 6.074 -3.172 -7.662 1.00 0.00 ATOM 729 CB ALA 96 4.967 -2.125 -7.447 1.00 0.00 ATOM 730 O ALA 96 7.877 -2.720 -6.152 1.00 0.00 ATOM 731 C ALA 96 6.811 -3.321 -6.328 1.00 0.00 ATOM 732 N ALA 97 6.261 -4.085 -5.414 1.00 0.00 ATOM 733 CA ALA 97 6.960 -4.316 -4.091 1.00 0.00 ATOM 734 CB ALA 97 6.046 -5.114 -3.186 1.00 0.00 ATOM 735 O ALA 97 9.357 -4.605 -3.954 1.00 0.00 ATOM 736 C ALA 97 8.276 -5.018 -4.392 1.00 0.00 ATOM 737 N LEU 98 8.209 -6.103 -5.157 1.00 0.00 ATOM 738 CA LEU 98 9.405 -6.862 -5.533 1.00 0.00 ATOM 739 CB LEU 98 8.949 -8.155 -6.266 1.00 0.00 ATOM 740 CG LEU 98 10.138 -8.988 -6.837 1.00 0.00 ATOM 741 CD1 LEU 98 10.930 -9.621 -5.713 1.00 0.00 ATOM 742 CD2 LEU 98 9.556 -9.990 -7.805 1.00 0.00 ATOM 743 O LEU 98 11.589 -5.938 -6.073 1.00 0.00 ATOM 744 C LEU 98 10.369 -5.969 -6.329 1.00 0.00 ATOM 745 N ILE 99 9.829 -5.270 -7.359 1.00 0.00 ATOM 746 CA ILE 99 10.660 -4.399 -8.186 1.00 0.00 ATOM 747 CB ILE 99 9.802 -3.943 -9.423 1.00 0.00 ATOM 748 CG1 ILE 99 9.558 -5.154 -10.326 1.00 0.00 ATOM 749 CG2 ILE 99 10.461 -2.791 -10.185 1.00 0.00 ATOM 750 CD1 ILE 99 8.470 -4.899 -11.398 1.00 0.00 ATOM 751 O ILE 99 12.290 -2.779 -7.519 1.00 0.00 ATOM 752 C ILE 99 11.135 -3.189 -7.391 1.00 0.00 ATOM 753 N ASN 100 10.251 -2.671 -6.531 1.00 0.00 ATOM 754 CA ASN 100 10.589 -1.500 -5.730 1.00 0.00 ATOM 755 CB ASN 100 10.732 -0.307 -6.709 1.00 0.00 ATOM 756 CG ASN 100 11.991 0.466 -6.342 1.00 0.00 ATOM 757 ND2 ASN 100 12.005 1.744 -6.694 1.00 0.00 ATOM 758 OD1 ASN 100 12.933 -0.109 -5.772 1.00 0.00 ATOM 759 O ASN 100 9.163 -1.949 -3.810 1.00 0.00 ATOM 760 C ASN 100 9.497 -1.172 -4.724 1.00 0.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Aug 31 22:26:08 2002 Date: Sat, 31 Aug 2002 22:26:02 -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 Sat Aug 31 21:58:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_777791_39865 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0176TS001_1 Current information on models submitted in prediction T0176TS001 MODEL_INDEX PIN CODE DATE E-mail T0176TS001_1 PIN_777791_39865 4069-6308-1312 08/31/02 21:58:05 karplus@cse.ucsc.edu T0176TS001_1 PIN_207902_39789 4069-6308-1312 08/31/02 08:01:07 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0176 MODEL_INDEX PIN CODE DATE E-mail T0176TS001_1 PIN_777791_39865 4069-6308-1312 08/31/02 21:58:05 karplus@cse.ucsc.edu T0176SS001_1 PIN_688653_20858 4069-6308-1312 08/12/02 10:56:29 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 T0176 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: T0176 # Total number of residues in target: 100 # Total number of residues in model: 100 # Total number of atoms in model: 760 # Number of atoms with 1.0 occupancy: 760 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0176 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 -8.974 5.978 -3.149 1.00 0.00 ATOM 2 CA MET 1 -9.090 7.467 -3.260 1.00 0.00 ATOM 3 CB MET 1 -8.275 8.130 -2.111 1.00 0.00 ATOM 4 CG MET 1 -8.697 7.719 -0.694 1.00 0.00 ATOM 5 SD MET 1 -7.717 8.449 0.657 1.00 0.00 ATOM 6 CE MET 1 -6.606 7.069 1.071 1.00 0.00 ATOM 7 O MET 1 -7.868 7.382 -5.287 1.00 0.00 ATOM 8 C MET 1 -8.738 7.950 -4.638 1.00 0.00 ATOM 9 N ASP 2 -9.433 9.016 -5.033 1.00 0.00 ATOM 10 CA ASP 2 -9.173 9.639 -6.367 1.00 0.00 ATOM 11 CB ASP 2 -10.202 10.739 -6.702 1.00 0.00 ATOM 12 CG ASP 2 -10.145 11.127 -8.161 1.00 0.00 ATOM 13 OD1 ASP 2 -10.057 10.297 -9.030 1.00 0.00 ATOM 14 OD2 ASP 2 -10.291 12.392 -8.423 1.00 0.00 ATOM 15 O ASP 2 -7.067 10.244 -7.370 1.00 0.00 ATOM 16 C ASP 2 -7.807 10.285 -6.416 1.00 0.00 ATOM 17 N GLY 3 -7.488 10.961 -5.341 1.00 0.00 ATOM 18 CA GLY 3 -6.203 11.634 -5.276 1.00 0.00 ATOM 19 O GLY 3 -3.937 10.977 -5.676 1.00 0.00 ATOM 20 C GLY 3 -5.029 10.677 -5.192 1.00 0.00 ATOM 21 N VAL 4 -5.263 9.509 -4.568 1.00 0.00 ATOM 22 CA VAL 4 -4.151 8.551 -4.454 1.00 0.00 ATOM 23 CB VAL 4 -4.599 7.646 -3.005 1.00 0.00 ATOM 24 CG1 VAL 4 -5.738 8.281 -2.265 1.00 0.00 ATOM 25 CG2 VAL 4 -5.079 6.386 -3.614 1.00 0.00 ATOM 26 O VAL 4 -3.118 6.903 -5.866 1.00 0.00 ATOM 27 C VAL 4 -4.066 7.655 -5.693 1.00 0.00 ATOM 28 N MET 5 -5.081 7.760 -6.561 1.00 0.00 ATOM 29 CA MET 5 -5.097 7.016 -7.811 1.00 0.00 ATOM 30 CB MET 5 -6.497 7.120 -8.535 1.00 0.00 ATOM 31 CG MET 5 -7.533 6.292 -7.846 1.00 0.00 ATOM 32 SD MET 5 -7.127 4.525 -7.935 1.00 0.00 ATOM 33 CE MET 5 -7.862 4.099 -9.495 1.00 0.00 ATOM 34 O MET 5 -3.333 6.538 -9.330 1.00 0.00 ATOM 35 C MET 5 -3.931 7.402 -8.698 1.00 0.00 ATOM 36 N SER 6 -3.585 8.695 -8.717 1.00 0.00 ATOM 37 CA SER 6 -2.471 9.169 -9.551 1.00 0.00 ATOM 38 CB SER 6 -2.373 10.664 -9.469 1.00 0.00 ATOM 39 OG SER 6 -3.466 11.303 -10.124 1.00 0.00 ATOM 40 O SER 6 -0.385 8.031 -10.016 1.00 0.00 ATOM 41 C SER 6 -1.162 8.512 -9.147 1.00 0.00 ATOM 42 N ALA 7 -0.857 8.499 -7.861 1.00 0.00 ATOM 43 CA ALA 7 0.419 7.937 -7.419 1.00 0.00 ATOM 44 CB ALA 7 0.629 8.204 -5.936 1.00 0.00 ATOM 45 O ALA 7 1.483 5.822 -7.781 1.00 0.00 ATOM 46 C ALA 7 0.416 6.430 -7.658 1.00 0.00 ATOM 47 N VAL 8 -0.772 5.824 -7.709 1.00 0.00 ATOM 48 CA VAL 8 -0.883 4.402 -7.987 1.00 0.00 ATOM 49 CB VAL 8 -2.254 3.822 -7.588 1.00 0.00 ATOM 50 CG1 VAL 8 -2.359 2.373 -8.035 1.00 0.00 ATOM 51 CG2 VAL 8 -2.432 3.897 -6.089 1.00 0.00 ATOM 52 O VAL 8 -1.605 4.847 -10.234 1.00 0.00 ATOM 53 C VAL 8 -0.873 4.182 -9.501 1.00 0.00 ATOM 54 N THR 9 -0.036 3.246 -9.925 1.00 0.00 ATOM 55 CA THR 9 0.079 2.929 -11.338 1.00 0.00 ATOM 56 CB THR 9 1.578 3.003 -11.740 1.00 0.00 ATOM 57 CG2 THR 9 1.877 2.851 -13.225 1.00 0.00 ATOM 58 OG1 THR 9 1.998 4.292 -11.313 1.00 0.00 ATOM 59 O THR 9 -0.093 0.556 -11.024 1.00 0.00 ATOM 60 C THR 9 -0.510 1.545 -11.621 1.00 0.00 ATOM 61 N VAL 10 -1.471 1.523 -12.534 1.00 0.00 ATOM 62 CA VAL 10 -2.122 0.277 -12.904 1.00 0.00 ATOM 63 CB VAL 10 -3.654 0.496 -13.200 1.00 0.00 ATOM 64 CG1 VAL 10 -4.351 -0.823 -13.510 1.00 0.00 ATOM 65 CG2 VAL 10 -4.333 1.184 -12.024 1.00 0.00 ATOM 66 O VAL 10 -1.225 -0.092 -15.101 1.00 0.00 ATOM 67 C VAL 10 -1.278 -0.476 -13.933 1.00 0.00 ATOM 68 N ASN 11 -0.638 -1.537 -13.462 1.00 0.00 ATOM 69 CA ASN 11 0.201 -2.350 -14.326 1.00 0.00 ATOM 70 CB ASN 11 1.496 -1.418 -14.564 1.00 0.00 ATOM 71 CG ASN 11 2.395 -1.433 -13.348 1.00 0.00 ATOM 72 ND2 ASN 11 2.769 -0.220 -12.931 1.00 0.00 ATOM 73 OD1 ASN 11 2.756 -2.458 -12.774 1.00 0.00 ATOM 74 O ASN 11 0.101 -4.467 -13.202 1.00 0.00 ATOM 75 C ASN 11 -0.210 -3.818 -14.197 1.00 0.00 ATOM 76 N ASP 12 -0.904 -4.295 -15.220 1.00 0.00 ATOM 77 CA ASP 12 -1.362 -5.676 -15.232 1.00 0.00 ATOM 78 CB ASP 12 -0.755 -6.767 -15.114 1.00 0.00 ATOM 79 CG ASP 12 -0.660 -7.298 -16.547 1.00 0.00 ATOM 80 OD1 ASP 12 -1.143 -6.633 -17.494 1.00 0.00 ATOM 81 OD2 ASP 12 -0.092 -8.389 -16.720 1.00 0.00 ATOM 82 O ASP 12 -2.837 -5.126 -13.421 1.00 0.00 ATOM 83 C ASP 12 -2.169 -5.998 -13.973 1.00 0.00 ATOM 84 N ASP 13 -2.078 -7.253 -13.557 1.00 0.00 ATOM 85 CA ASP 13 -2.789 -7.700 -12.372 1.00 0.00 ATOM 86 CB ASP 13 -2.912 -9.196 -12.354 1.00 0.00 ATOM 87 CG ASP 13 -3.779 -9.658 -13.503 1.00 0.00 ATOM 88 OD1 ASP 13 -4.828 -9.031 -13.808 1.00 0.00 ATOM 89 OD2 ASP 13 -3.423 -10.725 -14.076 1.00 0.00 ATOM 90 O ASP 13 -2.443 -7.507 -10.004 1.00 0.00 ATOM 91 C ASP 13 -2.113 -7.125 -11.127 1.00 0.00 ATOM 92 N GLY 14 -1.176 -6.221 -11.366 1.00 0.00 ATOM 93 CA GLY 14 -0.450 -5.588 -10.276 1.00 0.00 ATOM 94 O GLY 14 -1.073 -3.548 -11.379 1.00 0.00 ATOM 95 C GLY 14 -0.641 -4.072 -10.353 1.00 0.00 ATOM 96 N LEU 15 -0.308 -3.410 -9.254 1.00 0.00 ATOM 97 CA LEU 15 -0.436 -1.965 -9.184 1.00 0.00 ATOM 98 CB LEU 15 -1.708 -1.523 -8.447 1.00 0.00 ATOM 99 CG LEU 15 -3.013 -2.130 -8.949 1.00 0.00 ATOM 100 CD1 LEU 15 -4.173 -1.635 -8.103 1.00 0.00 ATOM 101 CD2 LEU 15 -3.226 -1.829 -10.400 1.00 0.00 ATOM 102 O LEU 15 1.259 -1.949 -7.484 1.00 0.00 ATOM 103 C LEU 15 0.784 -1.383 -8.468 1.00 0.00 ATOM 104 N VAL 16 1.256 -0.258 -8.989 1.00 0.00 ATOM 105 CA VAL 16 2.411 0.406 -8.413 1.00 0.00 ATOM 106 CB VAL 16 3.364 0.751 -9.521 1.00 0.00 ATOM 107 CG1 VAL 16 4.596 1.500 -8.998 1.00 0.00 ATOM 108 CG2 VAL 16 3.766 -0.571 -10.310 1.00 0.00 ATOM 109 O VAL 16 1.209 2.484 -8.374 1.00 0.00 ATOM 110 C VAL 16 1.969 1.724 -7.776 1.00 0.00 ATOM 111 N LEU 17 2.464 1.958 -6.569 1.00 0.00 ATOM 112 CA LEU 17 2.129 3.172 -5.844 1.00 0.00 ATOM 113 CB LEU 17 1.180 2.861 -4.687 1.00 0.00 ATOM 114 CG LEU 17 0.759 4.047 -3.816 1.00 0.00 ATOM 115 CD1 LEU 17 -0.027 5.060 -4.633 1.00 0.00 ATOM 116 CD2 LEU 17 -0.117 3.584 -2.663 1.00 0.00 ATOM 117 O LEU 17 4.329 3.085 -4.883 1.00 0.00 ATOM 118 C LEU 17 3.410 3.797 -5.286 1.00 0.00 ATOM 119 N ARG 18 3.431 5.122 -5.283 1.00 0.00 ATOM 120 CA ARG 18 4.583 5.851 -4.780 1.00 0.00 ATOM 121 CB ARG 18 5.146 6.835 -5.867 1.00 0.00 ATOM 122 CG ARG 18 6.668 7.062 -5.817 1.00 0.00 ATOM 123 CD ARG 18 7.091 8.463 -6.283 1.00 0.00 ATOM 124 NE ARG 18 8.399 8.417 -6.940 1.00 0.00 ATOM 125 CZ ARG 18 8.586 8.467 -8.263 1.00 0.00 ATOM 126 NH1 ARG 18 7.586 8.164 -9.084 1.00 0.00 ATOM 127 NH2 ARG 18 9.821 8.558 -8.757 1.00 0.00 ATOM 128 O ARG 18 3.457 7.120 -3.085 1.00 0.00 ATOM 129 C ARG 18 4.322 6.282 -3.338 1.00 0.00 ATOM 130 N LEU 19 5.081 5.691 -2.430 1.00 0.00 ATOM 131 CA LEU 19 4.943 6.004 -1.017 1.00 0.00 ATOM 132 CB LEU 19 4.628 4.786 -0.317 1.00 0.00 ATOM 133 CG LEU 19 3.174 4.924 0.137 1.00 0.00 ATOM 134 CD1 LEU 19 2.632 3.538 0.523 1.00 0.00 ATOM 135 CD2 LEU 19 3.067 5.964 1.283 1.00 0.00 ATOM 136 O LEU 19 7.198 5.184 -0.905 1.00 0.00 ATOM 137 C LEU 19 6.222 5.600 -0.281 1.00 0.00 ATOM 138 N TYR 20 6.186 5.731 1.029 1.00 0.00 ATOM 139 CA TYR 20 7.301 5.396 1.843 1.00 0.00 ATOM 140 CB TYR 20 7.323 6.095 3.189 1.00 0.00 ATOM 141 CG TYR 20 6.450 5.560 4.286 1.00 0.00 ATOM 142 CD1 TYR 20 5.062 5.723 4.204 1.00 0.00 ATOM 143 CD2 TYR 20 6.918 4.867 5.410 1.00 0.00 ATOM 144 CE1 TYR 20 4.183 5.281 5.172 1.00 0.00 ATOM 145 CE2 TYR 20 6.079 4.408 6.396 1.00 0.00 ATOM 146 CZ TYR 20 4.707 4.596 6.291 1.00 0.00 ATOM 147 OH TYR 20 3.834 4.153 7.248 1.00 0.00 ATOM 148 O TYR 20 6.344 3.238 1.723 1.00 0.00 ATOM 149 C TYR 20 7.318 3.912 1.995 1.00 0.00 ATOM 150 N ILE 21 8.460 3.446 2.475 1.00 0.00 ATOM 151 CA ILE 21 8.676 2.013 2.640 1.00 0.00 ATOM 152 CB ILE 21 10.143 1.716 3.054 1.00 0.00 ATOM 153 CG1 ILE 21 10.454 0.228 2.854 1.00 0.00 ATOM 154 CG2 ILE 21 10.379 2.131 4.496 1.00 0.00 ATOM 155 CD1 ILE 21 10.417 -0.217 1.399 1.00 0.00 ATOM 156 O ILE 21 7.463 0.164 3.582 1.00 0.00 ATOM 157 C ILE 21 7.710 1.369 3.640 1.00 0.00 ATOM 158 N GLN 22 6.810 1.680 5.520 1.00 0.00 ATOM 159 CA GLN 22 6.070 1.180 6.678 1.00 0.00 ATOM 160 CB GLN 22 5.923 2.306 7.746 1.00 0.00 ATOM 161 CG GLN 22 7.072 2.449 8.737 1.00 0.00 ATOM 162 CD GLN 22 8.184 3.322 8.195 1.00 0.00 ATOM 163 OE1 GLN 22 8.845 2.976 7.203 1.00 0.00 ATOM 164 NE2 GLN 22 8.392 4.477 8.838 1.00 0.00 ATOM 165 O GLN 22 4.021 0.896 5.476 1.00 0.00 ATOM 166 C GLN 22 4.694 0.582 6.450 1.00 0.00 ATOM 167 N PRO 23 4.266 -0.291 7.379 1.00 0.00 ATOM 168 CA PRO 23 2.953 -0.915 7.266 1.00 0.00 ATOM 169 CB PRO 23 2.996 -2.009 8.334 1.00 0.00 ATOM 170 CG PRO 23 4.448 -2.384 8.360 1.00 0.00 ATOM 171 CD PRO 23 5.132 -1.035 8.305 1.00 0.00 ATOM 172 O PRO 23 1.948 0.857 8.497 1.00 0.00 ATOM 173 C PRO 23 1.824 0.029 7.611 1.00 0.00 ATOM 174 N LYS 24 0.604 -0.195 6.677 1.00 0.00 ATOM 175 CA LYS 24 -0.474 0.572 7.276 1.00 0.00 ATOM 176 CB LYS 24 -1.456 0.811 6.122 1.00 0.00 ATOM 177 CG LYS 24 -0.728 1.600 5.067 1.00 0.00 ATOM 178 CD LYS 24 -1.638 1.813 3.898 1.00 0.00 ATOM 179 CE LYS 24 -1.648 0.568 3.064 1.00 0.00 ATOM 180 NZ LYS 24 -2.269 0.810 1.734 1.00 0.00 ATOM 181 O LYS 24 -1.365 -1.268 8.535 1.00 0.00 ATOM 182 C LYS 24 -0.930 -0.116 8.563 1.00 0.00 ATOM 183 N ALA 25 -0.815 0.615 9.662 1.00 0.00 ATOM 184 CA ALA 25 -1.209 0.089 10.957 1.00 0.00 ATOM 185 CB ALA 25 -0.816 1.068 12.063 1.00 0.00 ATOM 186 O ALA 25 -3.437 0.295 10.085 1.00 0.00 ATOM 187 C ALA 25 -2.735 0.064 11.068 1.00 0.00 ATOM 188 N SER 26 -3.205 -0.223 12.274 1.00 0.00 ATOM 189 CA SER 26 -4.634 -0.280 12.526 1.00 0.00 ATOM 190 CB SER 26 -4.834 -0.170 14.081 1.00 0.00 ATOM 191 OG SER 26 -4.084 -1.132 14.839 1.00 0.00 ATOM 192 O SER 26 -5.306 1.734 11.406 1.00 0.00 ATOM 193 C SER 26 -5.411 0.510 11.471 1.00 0.00 ATOM 194 N ARG 27 -6.173 -0.220 10.671 1.00 0.00 ATOM 195 CA ARG 27 -6.966 0.397 9.622 1.00 0.00 ATOM 196 CB ARG 27 -7.784 1.561 10.184 1.00 0.00 ATOM 197 CG ARG 27 -8.845 1.143 11.192 1.00 0.00 ATOM 198 CD ARG 27 -9.603 2.349 11.725 1.00 0.00 ATOM 199 NE ARG 27 -10.614 1.966 12.710 1.00 0.00 ATOM 200 CZ ARG 27 -11.351 2.832 13.396 1.00 0.00 ATOM 201 NH1 ARG 27 -12.246 2.392 14.271 1.00 0.00 ATOM 202 NH2 ARG 27 -11.194 4.135 13.206 1.00 0.00 ATOM 203 O ARG 27 -5.366 1.940 8.716 1.00 0.00 ATOM 204 C ARG 27 -6.036 0.924 8.529 1.00 0.00 ATOM 205 N ASP 28 -6.024 0.213 7.412 1.00 0.00 ATOM 206 CA ASP 28 -5.188 0.598 6.289 1.00 0.00 ATOM 207 CB ASP 28 -4.948 -0.080 5.205 1.00 0.00 ATOM 208 CG ASP 28 -4.551 0.716 3.992 1.00 0.00 ATOM 209 OD1 ASP 28 -3.935 1.776 4.036 1.00 0.00 ATOM 210 OD2 ASP 28 -4.933 0.105 2.888 1.00 0.00 ATOM 211 O ASP 28 -6.128 2.708 5.635 1.00 0.00 ATOM 212 C ASP 28 -5.163 2.116 6.118 1.00 0.00 ATOM 213 N SER 29 -4.048 2.708 6.521 1.00 0.00 ATOM 214 CA SER 29 -3.885 4.148 6.418 1.00 0.00 ATOM 215 CB SER 29 -3.716 4.830 7.822 1.00 0.00 ATOM 216 OG SER 29 -4.781 4.540 8.723 1.00 0.00 ATOM 217 O SER 29 -1.636 4.559 5.680 1.00 0.00 ATOM 218 C SER 29 -2.826 4.507 5.371 1.00 0.00 ATOM 219 N ILE 30 -3.298 4.747 4.157 1.00 0.00 ATOM 220 CA ILE 30 -2.409 5.100 3.065 1.00 0.00 ATOM 221 CB ILE 30 -1.546 3.794 2.654 1.00 0.00 ATOM 222 CG1 ILE 30 -0.315 4.138 1.808 1.00 0.00 ATOM 223 CG2 ILE 30 -2.475 2.914 1.854 1.00 0.00 ATOM 224 CD1 ILE 30 0.556 2.926 1.539 1.00 0.00 ATOM 225 O ILE 30 -3.879 5.626 1.241 1.00 0.00 ATOM 226 C ILE 30 -3.129 6.058 2.116 1.00 0.00 ATOM 227 N VAL 31 -2.869 7.378 2.325 1.00 0.00 ATOM 228 CA VAL 31 -3.486 8.402 1.496 1.00 0.00 ATOM 229 CB VAL 31 -3.141 9.827 2.045 1.00 0.00 ATOM 230 CG1 VAL 31 -3.542 9.951 3.496 1.00 0.00 ATOM 231 CG2 VAL 31 -1.634 10.135 1.909 1.00 0.00 ATOM 232 O VAL 31 -1.990 7.620 -0.211 1.00 0.00 ATOM 233 C VAL 31 -2.829 8.457 0.115 1.00 0.00 ATOM 234 N GLY 32 -3.242 9.449 -0.662 1.00 0.00 ATOM 235 CA GLY 32 -2.706 9.622 -1.999 1.00 0.00 ATOM 236 O GLY 32 -1.040 11.017 -0.978 1.00 0.00 ATOM 237 C GLY 32 -1.334 10.297 -1.931 1.00 0.00 ATOM 238 N LEU 33 -0.528 10.068 -2.912 1.00 0.00 ATOM 239 CA LEU 33 0.838 10.609 -3.056 1.00 0.00 ATOM 240 CB LEU 33 1.587 9.850 -4.149 1.00 0.00 ATOM 241 CG LEU 33 2.893 10.514 -4.615 1.00 0.00 ATOM 242 CD1 LEU 33 3.889 10.598 -3.457 1.00 0.00 ATOM 243 CD2 LEU 33 3.492 9.753 -5.786 1.00 0.00 ATOM 244 O LEU 33 0.088 12.349 -4.548 1.00 0.00 ATOM 245 C LEU 33 0.797 12.042 -3.579 1.00 0.00 ATOM 246 N HIS 34 1.544 12.912 -2.939 1.00 0.00 ATOM 247 CA HIS 34 1.670 14.308 -3.387 1.00 0.00 ATOM 248 CB HIS 34 1.366 15.253 -2.226 1.00 0.00 ATOM 249 CG HIS 34 0.084 14.943 -1.514 1.00 0.00 ATOM 250 CD2 HIS 34 -0.153 14.536 -0.244 1.00 0.00 ATOM 251 ND1 HIS 34 -1.147 15.025 -2.126 1.00 0.00 ATOM 252 CE1 HIS 34 -2.089 14.679 -1.267 1.00 0.00 ATOM 253 NE2 HIS 34 -1.514 14.377 -0.117 1.00 0.00 ATOM 254 O HIS 34 4.062 14.196 -3.191 1.00 0.00 ATOM 255 C HIS 34 3.085 14.448 -3.911 1.00 0.00 ATOM 256 N GLY 35 3.158 14.824 -5.173 1.00 0.00 ATOM 257 CA GLY 35 4.439 14.945 -5.846 1.00 0.00 ATOM 258 O GLY 35 4.693 12.619 -6.308 1.00 0.00 ATOM 259 C GLY 35 5.215 13.644 -5.875 1.00 0.00 ATOM 260 N ASP 36 6.462 13.666 -5.422 1.00 0.00 ATOM 261 CA ASP 36 7.284 12.475 -5.400 1.00 0.00 ATOM 262 CB ASP 36 8.767 12.847 -5.494 1.00 0.00 ATOM 263 CG ASP 36 9.128 13.465 -6.829 1.00 0.00 ATOM 264 OD1 ASP 36 9.056 12.754 -7.853 1.00 0.00 ATOM 265 OD2 ASP 36 9.488 14.663 -6.851 1.00 0.00 ATOM 266 O ASP 36 7.324 10.453 -4.132 1.00 0.00 ATOM 267 C ASP 36 7.097 11.666 -4.129 1.00 0.00 ATOM 268 N GLU 37 6.760 12.363 -3.039 1.00 0.00 ATOM 269 CA GLU 37 6.680 11.725 -1.735 1.00 0.00 ATOM 270 CB GLU 37 7.036 12.707 -0.582 1.00 0.00 ATOM 271 CG GLU 37 8.494 13.140 -0.495 1.00 0.00 ATOM 272 CD GLU 37 8.777 14.540 -1.088 1.00 0.00 ATOM 273 OE1 GLU 37 7.845 15.383 -1.197 1.00 0.00 ATOM 274 OE2 GLU 37 9.958 14.792 -1.450 1.00 0.00 ATOM 275 O GLU 37 4.351 11.689 -1.989 1.00 0.00 ATOM 276 C GLU 37 5.314 11.211 -1.437 1.00 0.00 ATOM 277 N VAL 38 5.269 10.243 -0.550 1.00 0.00 ATOM 278 CA VAL 38 4.006 9.638 -0.174 1.00 0.00 ATOM 279 CB VAL 38 3.168 8.975 -0.950 1.00 0.00 ATOM 280 CG1 VAL 38 2.392 7.878 -0.197 1.00 0.00 ATOM 281 CG2 VAL 38 2.158 10.060 -1.325 1.00 0.00 ATOM 282 O VAL 38 5.155 8.684 1.634 1.00 0.00 ATOM 283 C VAL 38 4.082 9.146 1.227 1.00 0.00 ATOM 284 N LYS 39 2.953 9.330 1.925 1.00 0.00 ATOM 285 CA LYS 39 2.857 8.932 3.320 1.00 0.00 ATOM 286 CB LYS 39 2.834 10.154 4.248 1.00 0.00 ATOM 287 CG LYS 39 2.306 11.436 3.626 1.00 0.00 ATOM 288 CD LYS 39 2.461 12.614 4.586 1.00 0.00 ATOM 289 CE LYS 39 2.413 13.951 3.851 1.00 0.00 ATOM 290 NZ LYS 39 3.536 14.093 2.884 1.00 0.00 ATOM 291 O LYS 39 0.779 7.832 2.851 1.00 0.00 ATOM 292 C LYS 39 1.710 7.995 3.638 1.00 0.00 ATOM 293 N VAL 40 1.896 7.318 4.797 1.00 0.00 ATOM 294 CA VAL 40 0.886 6.382 5.257 1.00 0.00 ATOM 295 CB VAL 40 1.394 4.941 5.226 1.00 0.00 ATOM 296 CG1 VAL 40 0.280 4.018 5.746 1.00 0.00 ATOM 297 CG2 VAL 40 1.840 4.546 3.825 1.00 0.00 ATOM 298 O VAL 40 1.494 6.804 7.539 1.00 0.00 ATOM 299 C VAL 40 0.582 6.639 6.730 1.00 0.00 ATOM 300 N ALA 41 -0.663 6.679 7.074 1.00 0.00 ATOM 301 CA ALA 41 -1.171 6.905 8.439 1.00 0.00 ATOM 302 CB ALA 41 -2.665 7.114 8.361 1.00 0.00 ATOM 303 O ALA 41 -0.637 4.555 8.793 1.00 0.00 ATOM 304 C ALA 41 -0.706 5.666 9.298 1.00 0.00 ATOM 305 N ILE 42 -0.318 5.979 10.519 1.00 0.00 ATOM 306 CA ILE 42 0.156 4.944 11.440 1.00 0.00 ATOM 307 CB ILE 42 1.671 5.090 11.740 1.00 0.00 ATOM 308 CG1 ILE 42 2.499 5.224 10.462 1.00 0.00 ATOM 309 CG2 ILE 42 2.163 3.894 12.530 1.00 0.00 ATOM 310 CD1 ILE 42 3.892 5.752 10.719 1.00 0.00 ATOM 311 O ILE 42 -0.619 6.100 13.366 1.00 0.00 ATOM 312 C ILE 42 -0.580 5.028 12.771 1.00 0.00 ATOM 313 N THR 43 -1.158 3.923 13.237 1.00 0.00 ATOM 314 CA THR 43 -1.754 3.867 14.559 1.00 0.00 ATOM 315 CB THR 43 -3.359 3.524 14.388 1.00 0.00 ATOM 316 CG2 THR 43 -4.251 4.672 13.869 1.00 0.00 ATOM 317 OG1 THR 43 -3.542 2.356 13.490 1.00 0.00 ATOM 318 O THR 43 -1.155 3.338 16.801 1.00 0.00 ATOM 319 C THR 43 -0.962 3.115 15.609 1.00 0.00 ATOM 320 N ALA 44 -0.063 2.248 15.201 1.00 0.00 ATOM 321 CA ALA 44 0.762 1.463 16.153 1.00 0.00 ATOM 322 CB ALA 44 -0.054 0.288 16.711 1.00 0.00 ATOM 323 O ALA 44 1.997 0.828 14.230 1.00 0.00 ATOM 324 C ALA 44 1.973 0.915 15.446 1.00 0.00 ATOM 325 N PRO 45 3.036 0.535 16.131 1.00 0.00 ATOM 326 CA PRO 45 4.220 -0.028 15.496 1.00 0.00 ATOM 327 CB PRO 45 5.046 -0.556 16.693 1.00 0.00 ATOM 328 CG PRO 45 4.593 0.260 17.846 1.00 0.00 ATOM 329 CD PRO 45 3.123 0.411 17.598 1.00 0.00 ATOM 330 O PRO 45 3.184 -2.169 15.061 1.00 0.00 ATOM 331 C PRO 45 3.895 -1.252 14.649 1.00 0.00 ATOM 332 N PRO 46 3.408 -2.035 13.571 1.00 0.00 ATOM 333 CA PRO 46 3.666 -2.113 12.144 1.00 0.00 ATOM 334 CB PRO 46 2.350 -1.613 11.516 1.00 0.00 ATOM 335 CG PRO 46 1.312 -2.197 12.458 1.00 0.00 ATOM 336 CD PRO 46 1.954 -1.959 13.863 1.00 0.00 ATOM 337 O PRO 46 5.724 -1.698 10.976 1.00 0.00 ATOM 338 C PRO 46 4.879 -1.263 11.758 1.00 0.00 ATOM 339 N VAL 47 4.927 -0.066 12.324 1.00 0.00 ATOM 340 CA VAL 47 6.022 0.850 12.051 1.00 0.00 ATOM 341 CB VAL 47 5.399 2.319 11.899 1.00 0.00 ATOM 342 CG1 VAL 47 6.494 3.359 11.778 1.00 0.00 ATOM 343 CG2 VAL 47 4.523 2.404 10.668 1.00 0.00 ATOM 344 O VAL 47 8.349 0.997 12.626 1.00 0.00 ATOM 345 C VAL 47 7.321 0.320 12.659 1.00 0.00 ATOM 346 N ASP 48 7.232 -0.896 13.208 1.00 0.00 ATOM 347 CA ASP 48 8.393 -1.513 13.823 1.00 0.00 ATOM 348 CB ASP 48 7.618 -2.129 15.284 1.00 0.00 ATOM 349 CG ASP 48 8.343 -2.097 16.613 1.00 0.00 ATOM 350 OD1 ASP 48 8.826 -1.003 16.990 1.00 0.00 ATOM 351 OD2 ASP 48 8.463 -3.160 17.260 1.00 0.00 ATOM 352 O ASP 48 10.118 -3.093 13.388 1.00 0.00 ATOM 353 C ASP 48 9.024 -2.638 13.015 1.00 0.00 ATOM 354 N GLY 49 8.382 -3.099 11.941 1.00 0.00 ATOM 355 CA GLY 49 8.845 -4.279 11.229 1.00 0.00 ATOM 356 O GLY 49 7.631 -5.899 9.938 1.00 0.00 ATOM 357 C GLY 49 7.695 -5.259 10.986 1.00 0.00 ATOM 358 N GLN 50 6.816 -5.345 11.974 1.00 0.00 ATOM 359 CA GLN 50 5.672 -6.235 11.881 1.00 0.00 ATOM 360 CB GLN 50 4.947 -6.279 13.267 1.00 0.00 ATOM 361 CG GLN 50 5.758 -7.048 14.296 1.00 0.00 ATOM 362 CD GLN 50 5.067 -7.113 15.654 1.00 0.00 ATOM 363 OE1 GLN 50 4.024 -7.749 15.802 1.00 0.00 ATOM 364 NE2 GLN 50 5.622 -6.425 16.642 1.00 0.00 ATOM 365 O GLN 50 4.145 -6.739 10.099 1.00 0.00 ATOM 366 C GLN 50 4.863 -5.893 10.629 1.00 0.00 ATOM 367 N ALA 51 5.010 -4.651 10.192 1.00 0.00 ATOM 368 CA ALA 51 4.301 -4.184 9.012 1.00 0.00 ATOM 369 CB ALA 51 5.319 -2.896 8.508 1.00 0.00 ATOM 370 O ALA 51 3.553 -5.310 7.028 1.00 0.00 ATOM 371 C ALA 51 4.407 -5.240 7.909 1.00 0.00 ATOM 372 N ASN 52 5.465 -6.032 7.991 1.00 0.00 ATOM 373 CA ASN 52 5.695 -7.081 7.012 1.00 0.00 ATOM 374 CB ASN 52 7.046 -7.757 7.258 1.00 0.00 ATOM 375 CG ASN 52 8.216 -6.872 6.873 1.00 0.00 ATOM 376 ND2 ASN 52 7.956 -5.578 6.725 1.00 0.00 ATOM 377 OD1 ASN 52 9.340 -7.348 6.711 1.00 0.00 ATOM 378 O ASN 52 3.843 -8.355 6.171 1.00 0.00 ATOM 379 C ASN 52 4.588 -8.129 7.124 1.00 0.00 ATOM 380 N SER 53 4.509 -8.740 8.297 1.00 0.00 ATOM 381 CA SER 53 3.504 -9.760 8.545 1.00 0.00 ATOM 382 CB SER 53 3.823 -10.525 9.830 1.00 0.00 ATOM 383 OG SER 53 3.726 -9.680 10.965 1.00 0.00 ATOM 384 O SER 53 1.111 -9.731 8.357 1.00 0.00 ATOM 385 C SER 53 2.123 -9.118 8.692 1.00 0.00 ATOM 386 N HIS 54 2.125 -7.890 9.185 1.00 0.00 ATOM 387 CA HIS 54 0.885 -7.159 9.380 1.00 0.00 ATOM 388 CB HIS 54 0.933 -6.019 10.448 1.00 0.00 ATOM 389 CG HIS 54 0.962 -6.647 11.841 1.00 0.00 ATOM 390 CD2 HIS 54 0.078 -6.614 12.868 1.00 0.00 ATOM 391 ND1 HIS 54 1.958 -7.502 12.149 1.00 0.00 ATOM 392 CE1 HIS 54 1.750 -7.942 13.434 1.00 0.00 ATOM 393 NE2 HIS 54 0.653 -7.419 13.874 1.00 0.00 ATOM 394 O HIS 54 -0.942 -6.668 7.901 1.00 0.00 ATOM 395 C HIS 54 0.276 -6.779 8.028 1.00 0.00 ATOM 396 N LEU 55 1.162 -6.593 7.050 1.00 0.00 ATOM 397 CA LEU 55 0.712 -6.232 5.715 1.00 0.00 ATOM 398 CB LEU 55 1.942 -6.580 4.654 1.00 0.00 ATOM 399 CG LEU 55 2.223 -5.807 3.362 1.00 0.00 ATOM 400 CD1 LEU 55 2.866 -4.477 3.651 1.00 0.00 ATOM 401 CD2 LEU 55 3.156 -6.647 2.475 1.00 0.00 ATOM 402 O LEU 55 -1.123 -7.149 4.374 1.00 0.00 ATOM 403 C LEU 55 -0.101 -7.392 5.036 1.00 0.00 ATOM 404 N VAL 56 0.397 -8.622 5.188 1.00 0.00 ATOM 405 CA VAL 56 -0.264 -9.795 4.609 1.00 0.00 ATOM 406 CB VAL 56 0.628 -11.049 4.700 1.00 0.00 ATOM 407 CG1 VAL 56 -0.146 -12.284 4.266 1.00 0.00 ATOM 408 CG2 VAL 56 1.845 -10.903 3.800 1.00 0.00 ATOM 409 O VAL 56 -2.572 -10.440 4.694 1.00 0.00 ATOM 410 C VAL 56 -1.585 -10.091 5.358 1.00 0.00 ATOM 411 N LYS 57 -1.643 -9.962 6.682 1.00 0.00 ATOM 412 CA LYS 57 -2.900 -10.145 7.391 1.00 0.00 ATOM 413 CB LYS 57 -2.653 -10.262 8.897 1.00 0.00 ATOM 414 CG LYS 57 -3.916 -10.479 9.716 1.00 0.00 ATOM 415 CD LYS 57 -3.593 -10.642 11.192 1.00 0.00 ATOM 416 CE LYS 57 -4.854 -10.846 12.014 1.00 0.00 ATOM 417 NZ LYS 57 -4.553 -11.020 13.462 1.00 0.00 ATOM 418 O LYS 57 -4.914 -9.101 6.607 1.00 0.00 ATOM 419 C LYS 57 -3.810 -8.944 7.125 1.00 0.00 ATOM 420 N PHE 58 -3.314 -7.773 7.494 1.00 0.00 ATOM 421 CA PHE 58 -4.068 -6.545 7.300 1.00 0.00 ATOM 422 CB PHE 58 -3.495 -5.423 8.167 1.00 0.00 ATOM 423 CG PHE 58 -3.751 -5.598 9.635 1.00 0.00 ATOM 424 CD1 PHE 58 -2.783 -6.136 10.464 1.00 0.00 ATOM 425 CD2 PHE 58 -4.964 -5.225 10.189 1.00 0.00 ATOM 426 CE1 PHE 58 -3.021 -6.298 11.815 1.00 0.00 ATOM 427 CE2 PHE 58 -5.200 -5.385 11.542 1.00 0.00 ATOM 428 CZ PHE 58 -4.236 -5.920 12.354 1.00 0.00 ATOM 429 O PHE 58 -5.034 -6.038 5.163 1.00 0.00 ATOM 430 C PHE 58 -4.008 -6.108 5.835 1.00 0.00 ATOM 431 N LEU 59 -2.793 -5.831 5.384 1.00 0.00 ATOM 432 CA LEU 59 -2.586 -5.403 4.011 1.00 0.00 ATOM 433 CB LEU 59 -1.174 -5.521 3.543 1.00 0.00 ATOM 434 CG LEU 59 -0.913 -5.006 2.122 1.00 0.00 ATOM 435 CD1 LEU 59 0.195 -3.965 2.133 1.00 0.00 ATOM 436 CD2 LEU 59 -0.571 -6.162 1.196 1.00 0.00 ATOM 437 O LEU 59 -4.217 -5.661 2.268 1.00 0.00 ATOM 438 C LEU 59 -3.446 -6.223 3.045 1.00 0.00 ATOM 439 N GLY 60 -3.286 -7.534 3.127 1.00 0.00 ATOM 440 CA GLY 60 -4.037 -8.435 2.271 1.00 0.00 ATOM 441 O GLY 60 -6.349 -8.386 1.620 1.00 0.00 ATOM 442 C GLY 60 -5.535 -8.282 2.539 1.00 0.00 ATOM 443 N LYS 61 -5.857 -8.036 3.801 1.00 0.00 ATOM 444 CA LYS 61 -7.244 -7.868 4.200 1.00 0.00 ATOM 445 CB LYS 61 -7.391 -8.046 5.714 1.00 0.00 ATOM 446 CG LYS 61 -8.822 -7.941 6.213 1.00 0.00 ATOM 447 CD LYS 61 -8.901 -8.183 7.712 1.00 0.00 ATOM 448 CE LYS 61 -10.329 -8.060 8.216 1.00 0.00 ATOM 449 NZ LYS 61 -10.425 -8.308 9.681 1.00 0.00 ATOM 450 O LYS 61 -8.860 -6.313 3.344 1.00 0.00 ATOM 451 C LYS 61 -7.739 -6.469 3.824 1.00 0.00 ATOM 452 N GLN 62 -6.882 -5.490 4.055 1.00 0.00 ATOM 453 CA GLN 62 -7.209 -4.103 3.751 1.00 0.00 ATOM 454 CB GLN 62 -6.030 -3.238 4.035 1.00 0.00 ATOM 455 CG GLN 62 -6.534 -1.806 4.233 1.00 0.00 ATOM 456 CD GLN 62 -7.673 -1.668 5.223 1.00 0.00 ATOM 457 OE1 GLN 62 -7.652 -2.133 6.370 1.00 0.00 ATOM 458 NE2 GLN 62 -8.780 -1.022 4.774 1.00 0.00 ATOM 459 O GLN 62 -8.405 -3.220 1.862 1.00 0.00 ATOM 460 C GLN 62 -7.430 -3.864 2.256 1.00 0.00 ATOM 461 N PHE 63 -6.530 -4.392 1.433 1.00 0.00 ATOM 462 CA PHE 63 -6.595 -4.206 -0.014 1.00 0.00 ATOM 463 CB PHE 63 -5.024 -4.196 -0.491 1.00 0.00 ATOM 464 CG PHE 63 -4.274 -2.880 -0.216 1.00 0.00 ATOM 465 CD1 PHE 63 -4.720 -1.691 -0.776 1.00 0.00 ATOM 466 CD2 PHE 63 -3.148 -2.835 0.596 1.00 0.00 ATOM 467 CE1 PHE 63 -4.047 -0.498 -0.551 1.00 0.00 ATOM 468 CE2 PHE 63 -2.462 -1.658 0.839 1.00 0.00 ATOM 469 CZ PHE 63 -2.934 -0.469 0.274 1.00 0.00 ATOM 470 O PHE 63 -7.965 -4.781 -1.889 1.00 0.00 ATOM 471 C PHE 63 -7.638 -5.053 -0.734 1.00 0.00 ATOM 472 N ARG 64 -8.149 -6.079 -0.060 1.00 0.00 ATOM 473 CA ARG 64 -9.154 -6.933 -0.669 1.00 0.00 ATOM 474 CB ARG 64 -10.171 -6.093 -1.445 1.00 0.00 ATOM 475 CG ARG 64 -10.995 -5.156 -0.577 1.00 0.00 ATOM 476 CD ARG 64 -11.942 -4.315 -1.417 1.00 0.00 ATOM 477 NE ARG 64 -12.966 -5.128 -2.067 1.00 0.00 ATOM 478 CZ ARG 64 -13.772 -4.686 -3.027 1.00 0.00 ATOM 479 NH1 ARG 64 -14.677 -5.499 -3.560 1.00 0.00 ATOM 480 NH2 ARG 64 -13.674 -3.434 -3.452 1.00 0.00 ATOM 481 O ARG 64 -9.253 -8.349 -2.594 1.00 0.00 ATOM 482 C ARG 64 -8.582 -7.944 -1.645 1.00 0.00 ATOM 483 N VAL 65 -7.334 -8.337 -1.424 1.00 0.00 ATOM 484 CA VAL 65 -6.683 -9.314 -2.282 1.00 0.00 ATOM 485 CB VAL 65 -5.510 -8.717 -3.051 1.00 0.00 ATOM 486 CG1 VAL 65 -5.996 -7.654 -4.036 1.00 0.00 ATOM 487 CG2 VAL 65 -4.483 -8.130 -2.085 1.00 0.00 ATOM 488 O VAL 65 -6.297 -10.443 -0.194 1.00 0.00 ATOM 489 C VAL 65 -6.210 -10.486 -1.425 1.00 0.00 ATOM 490 N ALA 66 -5.722 -11.533 -2.081 1.00 0.00 ATOM 491 CA ALA 66 -5.241 -12.716 -1.377 1.00 0.00 ATOM 492 CB ALA 66 -5.203 -13.911 -2.314 1.00 0.00 ATOM 493 O ALA 66 -3.057 -11.724 -1.436 1.00 0.00 ATOM 494 C ALA 66 -3.838 -12.470 -0.844 1.00 0.00 ATOM 495 N LYS 67 -3.492 -13.101 0.284 1.00 0.00 ATOM 496 CA LYS 67 -2.147 -12.885 0.827 1.00 0.00 ATOM 497 CB LYS 67 -1.939 -13.723 2.091 1.00 0.00 ATOM 498 CG LYS 67 -1.872 -15.221 1.837 1.00 0.00 ATOM 499 CD LYS 67 -1.680 -15.991 3.135 1.00 0.00 ATOM 500 CE LYS 67 -1.610 -17.488 2.880 1.00 0.00 ATOM 501 NZ LYS 67 -1.433 -18.257 4.144 1.00 0.00 ATOM 502 O LYS 67 0.015 -12.635 -0.176 1.00 0.00 ATOM 503 C LYS 67 -1.044 -13.265 -0.151 1.00 0.00 ATOM 504 N SER 68 -1.300 -14.277 -0.974 1.00 0.00 ATOM 505 CA SER 68 -0.303 -14.726 -1.945 1.00 0.00 ATOM 506 CB SER 68 -0.662 -16.127 -2.464 1.00 0.00 ATOM 507 OG SER 68 -1.820 -16.067 -3.278 1.00 0.00 ATOM 508 O SER 68 0.814 -13.964 -3.923 1.00 0.00 ATOM 509 C SER 68 -0.103 -13.765 -3.104 1.00 0.00 ATOM 510 N GLN 69 -0.917 -12.729 -3.220 1.00 0.00 ATOM 511 CA GLN 69 -0.834 -11.729 -4.265 1.00 0.00 ATOM 512 CB GLN 69 -2.038 -11.800 -5.177 1.00 0.00 ATOM 513 CG GLN 69 -2.020 -13.072 -6.053 1.00 0.00 ATOM 514 CD GLN 69 -3.230 -13.163 -6.962 1.00 0.00 ATOM 515 OE1 GLN 69 -4.345 -13.449 -6.511 1.00 0.00 ATOM 516 NE2 GLN 69 -3.025 -12.891 -8.252 1.00 0.00 ATOM 517 O GLN 69 -0.730 -9.331 -4.362 1.00 0.00 ATOM 518 C GLN 69 -0.491 -10.351 -3.709 1.00 0.00 ATOM 519 N VAL 70 0.052 -10.327 -2.496 1.00 0.00 ATOM 520 CA VAL 70 0.420 -9.070 -1.851 1.00 0.00 ATOM 521 CB VAL 70 0.127 -9.116 -0.325 1.00 0.00 ATOM 522 CG1 VAL 70 0.661 -7.845 0.362 1.00 0.00 ATOM 523 CG2 VAL 70 -1.382 -9.231 -0.112 1.00 0.00 ATOM 524 O VAL 70 2.717 -9.756 -1.892 1.00 0.00 ATOM 525 C VAL 70 1.891 -8.886 -2.181 1.00 0.00 ATOM 526 N VAL 71 2.287 -7.788 -2.823 1.00 0.00 ATOM 527 CA VAL 71 3.698 -7.576 -3.161 1.00 0.00 ATOM 528 CB VAL 71 4.092 -8.143 -4.548 1.00 0.00 ATOM 529 CG1 VAL 71 4.087 -9.695 -4.591 1.00 0.00 ATOM 530 CG2 VAL 71 3.222 -7.555 -5.649 1.00 0.00 ATOM 531 O VAL 71 3.105 -5.259 -3.237 1.00 0.00 ATOM 532 C VAL 71 3.967 -6.100 -2.914 1.00 0.00 ATOM 533 N ILE 72 5.145 -5.807 -2.368 1.00 0.00 ATOM 534 CA ILE 72 5.634 -4.436 -2.335 1.00 0.00 ATOM 535 CB ILE 72 5.871 -3.999 -0.867 1.00 0.00 ATOM 536 CG1 ILE 72 4.565 -4.095 -0.060 1.00 0.00 ATOM 537 CG2 ILE 72 6.504 -2.607 -0.877 1.00 0.00 ATOM 538 CD1 ILE 72 4.719 -3.720 1.427 1.00 0.00 ATOM 539 O ILE 72 7.835 -5.255 -2.870 1.00 0.00 ATOM 540 C ILE 72 6.926 -4.442 -3.141 1.00 0.00 ATOM 541 N GLU 73 6.996 -3.511 -4.083 1.00 0.00 ATOM 542 CA GLU 73 8.189 -3.347 -4.904 1.00 0.00 ATOM 543 CB GLU 73 8.256 -2.991 -6.134 1.00 0.00 ATOM 544 CG GLU 73 8.474 -4.256 -6.963 1.00 0.00 ATOM 545 CD GLU 73 7.311 -5.274 -6.965 1.00 0.00 ATOM 546 OE1 GLU 73 6.112 -4.882 -6.978 1.00 0.00 ATOM 547 OE2 GLU 73 7.627 -6.498 -7.001 1.00 0.00 ATOM 548 O GLU 73 8.837 -1.520 -3.478 1.00 0.00 ATOM 549 C GLU 73 9.201 -2.399 -4.269 1.00 0.00 ATOM 550 N LYS 74 10.474 -2.632 -4.580 1.00 0.00 ATOM 551 CA LYS 74 11.554 -1.805 -4.073 1.00 0.00 ATOM 552 CB LYS 74 12.691 -2.093 -4.999 1.00 0.00 ATOM 553 CG LYS 74 13.704 -2.819 -4.135 1.00 0.00 ATOM 554 CD LYS 74 14.796 -3.415 -4.993 1.00 0.00 ATOM 555 CE LYS 74 16.028 -3.735 -4.166 1.00 0.00 ATOM 556 NZ LYS 74 17.291 -3.568 -4.966 1.00 0.00 ATOM 557 O LYS 74 11.065 -0.204 -5.811 1.00 0.00 ATOM 558 C LYS 74 11.522 -0.405 -4.690 1.00 0.00 ATOM 559 N GLY 75 12.625 1.456 -5.565 1.00 0.00 ATOM 560 CA GLY 75 13.927 1.283 -4.945 1.00 0.00 ATOM 561 O GLY 75 13.859 2.588 -2.931 1.00 0.00 ATOM 562 C GLY 75 13.843 1.463 -3.427 1.00 0.00 ATOM 563 N GLU 76 13.750 0.338 -2.734 1.00 0.00 ATOM 564 CA GLU 76 13.662 0.359 -1.284 1.00 0.00 ATOM 565 CB GLU 76 13.718 -1.271 -0.833 1.00 0.00 ATOM 566 CG GLU 76 13.070 -1.746 0.451 1.00 0.00 ATOM 567 CD GLU 76 13.631 -3.089 0.955 1.00 0.00 ATOM 568 OE1 GLU 76 14.392 -3.719 0.202 1.00 0.00 ATOM 569 OE2 GLU 76 13.301 -3.488 2.100 1.00 0.00 ATOM 570 O GLU 76 15.044 1.248 0.467 1.00 0.00 ATOM 571 C GLU 76 14.996 0.798 -0.677 1.00 0.00 ATOM 572 N LEU 77 16.047 0.651 -1.469 1.00 0.00 ATOM 573 CA LEU 77 17.378 1.027 -1.022 1.00 0.00 ATOM 574 CB LEU 77 18.366 0.992 -2.191 1.00 0.00 ATOM 575 CG LEU 77 18.747 -0.395 -2.714 1.00 0.00 ATOM 576 CD1 LEU 77 19.627 -0.281 -3.947 1.00 0.00 ATOM 577 CD2 LEU 77 19.511 -1.178 -1.655 1.00 0.00 ATOM 578 O LEU 77 17.999 2.732 0.550 1.00 0.00 ATOM 579 C LEU 77 17.338 2.443 -0.448 1.00 0.00 ATOM 580 N GLY 78 16.557 3.292 -1.101 1.00 0.00 ATOM 581 CA GLY 78 16.421 4.671 -0.666 1.00 0.00 ATOM 582 O GLY 78 14.590 5.977 0.174 1.00 0.00 ATOM 583 C GLY 78 15.093 4.861 0.070 1.00 0.00 ATOM 584 N ARG 79 14.563 3.750 0.562 1.00 0.00 ATOM 585 CA ARG 79 13.302 3.780 1.286 1.00 0.00 ATOM 586 CB ARG 79 13.349 4.868 2.373 1.00 0.00 ATOM 587 CG ARG 79 12.024 5.140 3.070 1.00 0.00 ATOM 588 CD ARG 79 12.243 6.001 4.317 1.00 0.00 ATOM 589 NE ARG 79 12.841 5.228 5.406 1.00 0.00 ATOM 590 CZ ARG 79 12.168 4.384 6.184 1.00 0.00 ATOM 591 NH1 ARG 79 10.866 4.204 6.003 1.00 0.00 ATOM 592 NH2 ARG 79 12.801 3.704 7.130 1.00 0.00 ATOM 593 O ARG 79 11.122 3.366 0.368 1.00 0.00 ATOM 594 C ARG 79 12.143 4.050 0.323 1.00 0.00 ATOM 595 N HIS 80 12.343 5.049 -0.525 1.00 0.00 ATOM 596 CA HIS 80 11.327 5.418 -1.495 1.00 0.00 ATOM 597 CB HIS 80 11.398 6.996 -1.658 1.00 0.00 ATOM 598 CG HIS 80 12.642 7.399 -2.382 1.00 0.00 ATOM 599 CD2 HIS 80 12.880 7.560 -3.708 1.00 0.00 ATOM 600 ND1 HIS 80 13.835 7.673 -1.740 1.00 0.00 ATOM 601 CE1 HIS 80 14.751 7.985 -2.638 1.00 0.00 ATOM 602 NE2 HIS 80 14.197 7.926 -3.843 1.00 0.00 ATOM 603 O HIS 80 12.209 4.281 -3.417 1.00 0.00 ATOM 604 C HIS 80 11.274 4.388 -2.626 1.00 0.00 ATOM 605 N LYS 81 10.170 3.657 -2.664 1.00 0.00 ATOM 606 CA LYS 81 9.982 2.638 -3.684 1.00 0.00 ATOM 607 CB LYS 81 9.260 1.501 -2.990 1.00 0.00 ATOM 608 CG LYS 81 10.251 0.643 -2.254 1.00 0.00 ATOM 609 CD LYS 81 9.562 -0.569 -1.626 1.00 0.00 ATOM 610 CE LYS 81 10.576 -1.535 -1.037 1.00 0.00 ATOM 611 NZ LYS 81 11.526 -2.041 -2.065 1.00 0.00 ATOM 612 O LYS 81 7.773 3.567 -3.831 1.00 0.00 ATOM 613 C LYS 81 8.520 2.639 -4.136 1.00 0.00 ATOM 614 N GLN 82 8.158 1.590 -4.859 1.00 0.00 ATOM 615 CA GLN 82 6.799 1.458 -5.358 1.00 0.00 ATOM 616 CB GLN 82 6.776 1.702 -6.869 1.00 0.00 ATOM 617 CG GLN 82 7.358 3.039 -7.291 1.00 0.00 ATOM 618 CD GLN 82 7.491 3.168 -8.793 1.00 0.00 ATOM 619 OE1 GLN 82 7.933 4.198 -9.301 1.00 0.00 ATOM 620 NE2 GLN 82 7.110 2.120 -9.515 1.00 0.00 ATOM 621 O GLN 82 6.775 -0.934 -5.166 1.00 0.00 ATOM 622 C GLN 82 6.197 0.121 -4.918 1.00 0.00 ATOM 623 N ILE 83 5.043 0.211 -4.270 1.00 0.00 ATOM 624 CA ILE 83 4.359 -0.977 -3.795 1.00 0.00 ATOM 625 CB ILE 83 3.435 -0.657 -2.603 1.00 0.00 ATOM 626 CG1 ILE 83 4.246 -0.090 -1.437 1.00 0.00 ATOM 627 CG2 ILE 83 2.723 -1.916 -2.130 1.00 0.00 ATOM 628 CD1 ILE 83 3.395 0.480 -0.323 1.00 0.00 ATOM 629 O ILE 83 2.551 -0.933 -5.375 1.00 0.00 ATOM 630 C ILE 83 3.511 -1.559 -4.927 1.00 0.00 ATOM 631 N LYS 84 3.894 -2.751 -5.359 1.00 0.00 ATOM 632 CA LYS 84 3.182 -3.427 -6.430 1.00 0.00 ATOM 633 CB LYS 84 4.136 -3.971 -7.505 1.00 0.00 ATOM 634 CG LYS 84 3.470 -4.580 -8.726 1.00 0.00 ATOM 635 CD LYS 84 4.499 -5.352 -9.533 1.00 0.00 ATOM 636 CE LYS 84 3.870 -6.088 -10.714 1.00 0.00 ATOM 637 NZ LYS 84 3.110 -7.280 -10.223 1.00 0.00 ATOM 638 O LYS 84 2.592 -5.408 -5.208 1.00 0.00 ATOM 639 C LYS 84 2.191 -4.439 -5.854 1.00 0.00 ATOM 640 N ILE 85 0.916 -4.182 -6.107 1.00 0.00 ATOM 641 CA ILE 85 -0.135 -5.060 -5.620 1.00 0.00 ATOM 642 CB ILE 85 -1.375 -4.335 -5.056 1.00 0.00 ATOM 643 CG1 ILE 85 -1.042 -3.389 -3.905 1.00 0.00 ATOM 644 CG2 ILE 85 -2.425 -5.328 -4.532 1.00 0.00 ATOM 645 CD1 ILE 85 -0.474 -4.047 -2.662 1.00 0.00 ATOM 646 O ILE 85 -0.781 -5.589 -7.872 1.00 0.00 ATOM 647 C ILE 85 -0.556 -6.015 -6.740 1.00 0.00 ATOM 648 N ILE 86 -0.647 -7.287 -6.386 1.00 0.00 ATOM 649 CA ILE 86 -1.033 -8.306 -7.347 1.00 0.00 ATOM 650 CB ILE 86 -0.295 -9.652 -7.076 1.00 0.00 ATOM 651 CG1 ILE 86 1.225 -9.510 -7.246 1.00 0.00 ATOM 652 CG2 ILE 86 -0.859 -10.772 -8.003 1.00 0.00 ATOM 653 CD1 ILE 86 1.994 -10.791 -7.050 1.00 0.00 ATOM 654 O ILE 86 -2.925 -8.893 -5.989 1.00 0.00 ATOM 655 C ILE 86 -2.493 -8.714 -7.125 1.00 0.00 ATOM 656 N ASN 87 -3.209 -8.851 -8.233 1.00 0.00 ATOM 657 CA ASN 87 -4.609 -9.236 -8.175 1.00 0.00 ATOM 658 CB ASN 87 -4.827 -10.302 -7.098 1.00 0.00 ATOM 659 CG ASN 87 -5.998 -11.214 -7.410 1.00 0.00 ATOM 660 ND2 ASN 87 -7.018 -11.176 -6.560 1.00 0.00 ATOM 661 OD1 ASN 87 -5.983 -11.943 -8.401 1.00 0.00 ATOM 662 O ASN 87 -6.719 -8.149 -7.808 1.00 0.00 ATOM 663 C ASN 87 -5.495 -8.033 -7.842 1.00 0.00 ATOM 664 N PRO 88 -4.842 -6.906 -7.605 1.00 0.00 ATOM 665 CA PRO 88 -5.555 -5.683 -7.276 1.00 0.00 ATOM 666 CB PRO 88 -5.328 -5.019 -6.285 1.00 0.00 ATOM 667 CG PRO 88 -4.370 -5.794 -5.403 1.00 0.00 ATOM 668 CD PRO 88 -4.784 -7.218 -5.672 1.00 0.00 ATOM 669 O PRO 88 -4.607 -4.811 -9.302 1.00 0.00 ATOM 670 C PRO 88 -5.433 -4.658 -8.405 1.00 0.00 ATOM 671 N GLN 89 -6.270 -3.634 -8.322 1.00 0.00 ATOM 672 CA GLN 89 -6.266 -2.582 -9.325 1.00 0.00 ATOM 673 CB GLN 89 -7.535 -2.650 -10.177 1.00 0.00 ATOM 674 CG GLN 89 -7.634 -3.895 -11.044 1.00 0.00 ATOM 675 CD GLN 89 -8.933 -3.960 -11.822 1.00 0.00 ATOM 676 OE1 GLN 89 -9.785 -3.082 -11.701 1.00 0.00 ATOM 677 NE2 GLN 89 -9.087 -5.008 -12.627 1.00 0.00 ATOM 678 O GLN 89 -5.716 -1.060 -7.551 1.00 0.00 ATOM 679 C GLN 89 -6.205 -1.199 -8.672 1.00 0.00 ATOM 680 N GLN 90 -6.705 -0.212 -9.401 1.00 0.00 ATOM 681 CA GLN 90 -6.713 1.153 -8.906 1.00 0.00 ATOM 682 CB GLN 90 -7.441 2.057 -10.133 1.00 0.00 ATOM 683 CG GLN 90 -7.144 1.640 -11.554 1.00 0.00 ATOM 684 CD GLN 90 -7.811 2.415 -12.622 1.00 0.00 ATOM 685 OE1 GLN 90 -7.182 2.657 -13.723 1.00 0.00 ATOM 686 NE2 GLN 90 -8.973 2.877 -12.459 1.00 0.00 ATOM 687 O GLN 90 -7.699 1.707 -6.787 1.00 0.00 ATOM 688 C GLN 90 -7.894 1.366 -7.953 1.00 0.00 ATOM 689 N ILE 91 -9.088 1.153 -8.485 1.00 0.00 ATOM 690 CA ILE 91 -10.298 1.319 -7.697 1.00 0.00 ATOM 691 CB ILE 91 -11.429 0.202 -8.242 1.00 0.00 ATOM 692 CG1 ILE 91 -11.595 0.107 -9.765 1.00 0.00 ATOM 693 CG2 ILE 91 -12.827 0.406 -7.636 1.00 0.00 ATOM 694 CD1 ILE 91 -10.316 -0.051 -10.533 1.00 0.00 ATOM 695 O ILE 91 -10.597 1.001 -5.336 1.00 0.00 ATOM 696 C ILE 91 -10.157 0.538 -6.387 1.00 0.00 ATOM 697 N PRO 92 -9.543 -0.630 -6.494 1.00 0.00 ATOM 698 CA PRO 92 -9.339 -1.478 -5.332 1.00 0.00 ATOM 699 CB PRO 92 -8.578 -2.641 -5.713 1.00 0.00 ATOM 700 CG PRO 92 -9.106 -2.929 -7.063 1.00 0.00 ATOM 701 CD PRO 92 -9.137 -1.566 -7.704 1.00 0.00 ATOM 702 O PRO 92 -9.166 -0.402 -3.191 1.00 0.00 ATOM 703 C PRO 92 -8.606 -0.682 -4.250 1.00 0.00 ATOM 704 N PRO 93 -7.360 -0.343 -4.553 1.00 0.00 ATOM 705 CA PRO 93 -6.541 0.413 -3.619 1.00 0.00 ATOM 706 CB PRO 93 -5.375 0.915 -4.466 1.00 0.00 ATOM 707 CG PRO 93 -5.191 -0.196 -5.435 1.00 0.00 ATOM 708 CD PRO 93 -6.619 -0.530 -5.853 1.00 0.00 ATOM 709 O PRO 93 -7.269 1.955 -1.929 1.00 0.00 ATOM 710 C PRO 93 -7.284 1.655 -3.123 1.00 0.00 ATOM 711 N GLU 94 -7.916 2.342 -4.063 1.00 0.00 ATOM 712 CA GLU 94 -8.663 3.545 -3.733 1.00 0.00 ATOM 713 CB GLU 94 -9.114 4.244 -4.997 1.00 0.00 ATOM 714 CG GLU 94 -9.935 5.509 -4.698 1.00 0.00 ATOM 715 CD GLU 94 -10.538 6.120 -5.935 1.00 0.00 ATOM 716 OE1 GLU 94 -9.743 6.457 -6.857 1.00 0.00 ATOM 717 OE2 GLU 94 -11.767 6.301 -6.031 1.00 0.00 ATOM 718 O GLU 94 -10.116 3.837 -1.845 1.00 0.00 ATOM 719 C GLU 94 -9.854 3.176 -2.847 1.00 0.00 ATOM 720 N VAL 95 -10.534 2.125 -3.258 1.00 0.00 ATOM 721 CA VAL 95 -11.742 1.627 -2.494 1.00 0.00 ATOM 722 CB VAL 95 -12.488 0.537 -3.313 1.00 0.00 ATOM 723 CG1 VAL 95 -13.545 -0.198 -2.464 1.00 0.00 ATOM 724 CG2 VAL 95 -13.133 1.032 -4.600 1.00 0.00 ATOM 725 O VAL 95 -11.922 1.543 -0.087 1.00 0.00 ATOM 726 C VAL 95 -11.296 1.203 -1.119 1.00 0.00 ATOM 727 N ALA 96 -10.211 0.424 -1.023 1.00 0.00 ATOM 728 CA ALA 96 -9.729 -0.037 0.258 1.00 0.00 ATOM 729 CB ALA 96 -8.527 -0.943 -0.075 1.00 0.00 ATOM 730 O ALA 96 -9.718 1.428 2.267 1.00 0.00 ATOM 731 C ALA 96 -9.316 1.201 1.111 1.00 0.00 ATOM 732 N ALA 97 -8.488 2.064 0.504 1.00 0.00 ATOM 733 CA ALA 97 -8.045 3.236 1.230 1.00 0.00 ATOM 734 CB ALA 97 -7.137 4.083 0.373 1.00 0.00 ATOM 735 O ALA 97 -9.160 4.600 2.810 1.00 0.00 ATOM 736 C ALA 97 -9.212 4.051 1.694 1.00 0.00 ATOM 737 N LEU 98 -10.208 4.192 0.798 1.00 0.00 ATOM 738 CA LEU 98 -11.416 4.980 1.210 1.00 0.00 ATOM 739 CB LEU 98 -12.246 5.330 -0.063 1.00 0.00 ATOM 740 CG LEU 98 -13.532 6.101 0.303 1.00 0.00 ATOM 741 CD1 LEU 98 -13.051 7.492 0.835 1.00 0.00 ATOM 742 CD2 LEU 98 -14.477 6.237 -0.828 1.00 0.00 ATOM 743 O LEU 98 -12.611 4.997 3.269 1.00 0.00 ATOM 744 C LEU 98 -12.179 4.289 2.314 1.00 0.00 ATOM 745 N ILE 99 -12.408 2.972 2.309 1.00 0.00 ATOM 746 CA ILE 99 -13.121 2.339 3.411 1.00 0.00 ATOM 747 CB ILE 99 -13.165 0.902 3.549 1.00 0.00 ATOM 748 CG1 ILE 99 -11.798 0.207 3.380 1.00 0.00 ATOM 749 CG2 ILE 99 -14.123 0.359 2.474 1.00 0.00 ATOM 750 CD1 ILE 99 -11.875 -1.279 3.679 1.00 0.00 ATOM 751 O ILE 99 -12.957 2.843 5.784 1.00 0.00 ATOM 752 C ILE 99 -12.354 2.522 4.725 1.00 0.00 ATOM 753 N ASN 100 -11.042 2.376 4.723 1.00 0.00 ATOM 754 CA ASN 100 -10.242 2.507 5.921 1.00 0.00 ATOM 755 CB ASN 100 -9.862 1.148 6.517 1.00 0.00 ATOM 756 CG ASN 100 -11.043 0.425 7.146 1.00 0.00 ATOM 757 ND2 ASN 100 -11.537 -0.603 6.459 1.00 0.00 ATOM 758 OD1 ASN 100 -11.520 0.766 8.230 1.00 0.00 ATOM 759 O ASN 100 -8.383 2.933 4.516 1.00 0.00 ATOM 760 C ASN 100 -8.949 3.248 5.566 1.00 0.00 TER END ################################ # # # END # # # ################################