PFRMAT TS TARGET T0314 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 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 BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 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 still have not taken the time METHOD to 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 (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD METHOD We were really flailing on this model, as our ab initio techniques METHOD were not making much progress in the short time available. METHOD METHOD We are submitting METHOD METHOD Model 1 is T0314.try48-opt2, the closest match to the secondary METHOD structure predictions. Grant made a hairpin of residues 20-29 because METHOD of strand predictions and separation predictions that looked good from METHOD the sep alphabets. The helix constraints are straight out of the METHOD neural net predictions. Grant made the sheet constraints from the METHOD str2 secondary structure predictions. He made a small sheet METHOD constraint that he ended up removing later. The first run of these METHOD constraints (try20.costfcn) gave me a very good base to start from, METHOD but there was an extra strand that wasn't pairing up with the rest of METHOD the sheet. Grant finally ended up moving the strand manually with METHOD ProteinShop adding breaks to the models in order to get the strands to METHOD form correctly in undertaker. METHOD METHOD Model 2 is try30-opt2 which came from try13-opt2. Try13 was a METHOD polishing run on the five Robetta server models. We ended up getting METHOD something vaguely proteinlike. METHOD METHOD Model 3, try21-opt2, was an attempt to get the strand in place from METHOD try20-opt2, but it didn't work well. It ended up looking decent on METHOD its own, so it's a valid model. METHOD METHOD Model 4, try35-opt2, is a polished model based on alignments from a METHOD lipoprotein Grant found in the PDB. A lipoprotein in E.coli (1oapA) METHOD was of similar length and he got a few other structures from vast METHOD (2aizP,1r1mA) to make alignments from. We ended up with a structure METHOD that looked somewhat like the E.coli lipoprotein. METHOD METHOD Model 5, try14-opt2, was a polish of the best scoring Pcons6 model METHOD (TS4) (which is really robetta model 7) in undertaker. Grant ran a METHOD polishing run on it and this is the model. REMARK 6 REMARK 6 T0314 model 1 Wed Jul 12 20:53:06 2006 MODEL 1 PARENT 1oap_A 1vem_A 1ksh_A 1zi8_A 1din REMARK 7 REMARK 7 ALLPARENTS 1oap_A 1vem_A 1ksh_A 1zi8_A 1din 2cb2_A 1itc_A REMARK 7 ALLPARENTS 2f1k_A 1g5b_A ATOM 1 N MET 1 14.066 -13.847 -0.167 1.00 0.00 ATOM 2 CA MET 1 13.664 -12.928 -1.267 1.00 0.00 ATOM 3 CB MET 1 12.273 -13.345 -1.764 1.00 0.00 ATOM 4 CG MET 1 11.790 -12.639 -3.012 1.00 0.00 ATOM 5 SD MET 1 10.188 -13.302 -3.545 1.00 0.00 ATOM 6 CE MET 1 10.711 -14.601 -4.650 1.00 0.00 ATOM 7 O MET 1 13.227 -11.306 0.442 1.00 0.00 ATOM 8 C MET 1 13.548 -11.504 -0.727 1.00 0.00 ATOM 9 N SER 2 13.816 -10.522 -1.589 1.00 0.00 ATOM 10 CA SER 2 13.754 -9.104 -1.203 1.00 0.00 ATOM 11 CB SER 2 14.788 -8.289 -2.027 1.00 0.00 ATOM 12 OG SER 2 14.740 -6.898 -1.715 1.00 0.00 ATOM 13 O SER 2 11.651 -8.695 -2.273 1.00 0.00 ATOM 14 C SER 2 12.313 -8.628 -1.246 1.00 0.00 ATOM 15 N ILE 3 11.817 -8.159 -0.117 1.00 0.00 ATOM 16 CA ILE 3 10.431 -7.754 -0.043 1.00 0.00 ATOM 17 CB ILE 3 9.598 -8.631 0.938 1.00 0.00 ATOM 18 CG1 ILE 3 9.423 -10.075 0.419 1.00 0.00 ATOM 19 CG2 ILE 3 8.230 -7.953 1.192 1.00 0.00 ATOM 20 CD1 ILE 3 8.988 -10.200 -1.038 1.00 0.00 ATOM 21 O ILE 3 10.995 -6.056 1.543 1.00 0.00 ATOM 22 C ILE 3 10.334 -6.356 0.556 1.00 0.00 ATOM 23 N THR 4 9.462 -5.552 -0.061 1.00 0.00 ATOM 24 CA THR 4 9.257 -4.184 0.449 1.00 0.00 ATOM 25 CB THR 4 8.380 -3.309 -0.478 1.00 0.00 ATOM 26 CG2 THR 4 8.515 -1.853 -0.127 1.00 0.00 ATOM 27 OG1 THR 4 8.870 -3.366 -1.820 1.00 0.00 ATOM 28 O THR 4 9.029 -3.338 2.672 1.00 0.00 ATOM 29 C THR 4 8.633 -4.150 1.836 1.00 0.00 ATOM 30 N SER 5 7.597 -5.054 2.064 1.00 0.00 ATOM 31 CA SER 5 6.938 -5.131 3.368 1.00 0.00 ATOM 32 CB SER 5 5.912 -6.265 3.401 1.00 0.00 ATOM 33 OG SER 5 4.826 -5.997 2.533 1.00 0.00 ATOM 34 O SER 5 7.876 -4.686 5.533 1.00 0.00 ATOM 35 C SER 5 7.909 -5.386 4.525 1.00 0.00 ATOM 36 N THR 6 8.756 -6.404 4.385 1.00 0.00 ATOM 37 CA THR 6 9.697 -6.751 5.450 1.00 0.00 ATOM 38 CB THR 6 10.565 -7.963 5.063 1.00 0.00 ATOM 39 CG2 THR 6 11.562 -8.279 6.167 1.00 0.00 ATOM 40 OG1 THR 6 9.728 -9.107 4.853 1.00 0.00 ATOM 41 O THR 6 10.858 -5.280 6.917 1.00 0.00 ATOM 42 C THR 6 10.654 -5.610 5.746 1.00 0.00 ATOM 43 N ASP 7 11.175 -4.975 4.668 1.00 0.00 ATOM 44 CA ASP 7 12.078 -3.830 4.830 1.00 0.00 ATOM 45 CB ASP 7 12.601 -3.384 3.463 1.00 0.00 ATOM 46 CG ASP 7 13.491 -4.423 2.811 1.00 0.00 ATOM 47 OD1 ASP 7 14.398 -4.943 3.496 1.00 0.00 ATOM 48 OD2 ASP 7 13.280 -4.720 1.616 1.00 0.00 ATOM 49 O ASP 7 12.007 -1.927 6.290 1.00 0.00 ATOM 50 C ASP 7 11.391 -2.634 5.495 1.00 0.00 ATOM 51 N ILE 8 10.118 -2.414 5.173 1.00 0.00 ATOM 52 CA ILE 8 9.352 -1.326 5.778 1.00 0.00 ATOM 53 CB ILE 8 7.956 -1.222 5.144 1.00 0.00 ATOM 54 CG1 ILE 8 8.097 -0.750 3.692 1.00 0.00 ATOM 55 CG2 ILE 8 7.072 -0.268 5.944 1.00 0.00 ATOM 56 CD1 ILE 8 6.814 -0.839 2.891 1.00 0.00 ATOM 57 O ILE 8 9.456 -0.656 8.084 1.00 0.00 ATOM 58 C ILE 8 9.222 -1.559 7.278 1.00 0.00 ATOM 59 N CYS 9 8.831 -2.773 7.678 1.00 0.00 ATOM 60 CA CYS 9 8.676 -3.053 9.109 1.00 0.00 ATOM 61 CB CYS 9 8.126 -4.470 9.287 1.00 0.00 ATOM 62 SG CYS 9 6.407 -4.675 8.767 1.00 0.00 ATOM 63 O CYS 9 10.115 -2.391 10.914 1.00 0.00 ATOM 64 C CYS 9 10.022 -2.935 9.814 1.00 0.00 ATOM 65 N GLN 10 11.076 -3.430 9.182 1.00 0.00 ATOM 66 CA GLN 10 12.390 -3.351 9.806 1.00 0.00 ATOM 67 CB GLN 10 13.419 -4.083 8.942 1.00 0.00 ATOM 68 CG GLN 10 13.222 -5.590 8.884 1.00 0.00 ATOM 69 CD GLN 10 14.164 -6.265 7.907 1.00 0.00 ATOM 70 OE1 GLN 10 14.904 -5.598 7.183 1.00 0.00 ATOM 71 NE2 GLN 10 14.139 -7.593 7.884 1.00 0.00 ATOM 72 O GLN 10 13.433 -1.552 11.013 1.00 0.00 ATOM 73 C GLN 10 12.885 -1.915 9.973 1.00 0.00 ATOM 74 N ALA 11 12.672 -1.091 8.952 1.00 0.00 ATOM 75 CA ALA 11 13.113 0.297 9.018 1.00 0.00 ATOM 76 CB ALA 11 12.898 0.995 7.703 1.00 0.00 ATOM 77 O ALA 11 12.974 1.753 10.913 1.00 0.00 ATOM 78 C ALA 11 12.358 1.085 10.081 1.00 0.00 ATOM 79 N ALA 12 11.031 1.049 10.046 1.00 0.00 ATOM 80 CA ALA 12 10.241 1.804 11.009 1.00 0.00 ATOM 81 CB ALA 12 8.764 1.727 10.671 1.00 0.00 ATOM 82 O ALA 12 10.241 2.072 13.392 1.00 0.00 ATOM 83 C ALA 12 10.463 1.322 12.441 1.00 0.00 ATOM 84 N ASP 13 10.912 0.080 12.596 1.00 0.00 ATOM 85 CA ASP 13 11.186 -0.463 13.922 1.00 0.00 ATOM 86 CB ASP 13 11.492 -1.958 13.836 1.00 0.00 ATOM 87 CG ASP 13 11.396 -2.651 15.180 1.00 0.00 ATOM 88 OD1 ASP 13 10.328 -2.560 15.820 1.00 0.00 ATOM 89 OD2 ASP 13 12.388 -3.288 15.595 1.00 0.00 ATOM 90 O ASP 13 12.479 0.360 15.759 1.00 0.00 ATOM 91 C ASP 13 12.353 0.293 14.538 1.00 0.00 ATOM 92 N ALA 14 13.203 0.870 13.701 1.00 0.00 ATOM 93 CA ALA 14 14.347 1.640 14.159 1.00 0.00 ATOM 94 CB ALA 14 15.362 1.801 13.037 1.00 0.00 ATOM 95 O ALA 14 14.640 3.722 15.317 1.00 0.00 ATOM 96 C ALA 14 13.895 3.014 14.634 1.00 0.00 ATOM 97 N LEU 15 12.670 3.385 14.263 1.00 0.00 ATOM 98 CA LEU 15 12.109 4.683 14.616 1.00 0.00 ATOM 99 CB LEU 15 11.298 5.281 13.443 1.00 0.00 ATOM 100 CG LEU 15 10.622 6.636 13.712 1.00 0.00 ATOM 101 CD1 LEU 15 11.669 7.710 13.948 1.00 0.00 ATOM 102 CD2 LEU 15 9.741 7.027 12.558 1.00 0.00 ATOM 103 O LEU 15 11.219 5.403 16.733 1.00 0.00 ATOM 104 C LEU 15 11.125 4.618 15.789 1.00 0.00 ATOM 105 N LYS 16 10.176 3.691 15.729 1.00 0.00 ATOM 106 CA LYS 16 9.209 3.576 16.803 1.00 0.00 ATOM 107 CB LYS 16 7.905 4.302 16.448 1.00 0.00 ATOM 108 CG LYS 16 6.858 4.281 17.577 1.00 0.00 ATOM 109 CD LYS 16 5.764 5.335 17.387 1.00 0.00 ATOM 110 CE LYS 16 4.932 5.556 18.658 1.00 0.00 ATOM 111 NZ LYS 16 4.090 6.782 18.582 1.00 0.00 ATOM 112 O LYS 16 8.802 1.322 16.093 1.00 0.00 ATOM 113 C LYS 16 8.664 2.170 16.976 1.00 0.00 ATOM 114 N GLY 17 8.078 1.897 18.136 1.00 0.00 ATOM 115 CA GLY 17 7.430 0.594 18.342 1.00 0.00 ATOM 116 O GLY 17 5.677 -0.834 17.624 1.00 0.00 ATOM 117 C GLY 17 6.104 0.335 17.678 1.00 0.00 ATOM 118 N PHE 18 5.381 1.323 17.008 1.00 0.00 ATOM 119 CA PHE 18 4.022 1.101 16.455 1.00 0.00 ATOM 120 CB PHE 18 2.921 1.648 17.365 1.00 0.00 ATOM 121 CG PHE 18 2.929 1.063 18.749 1.00 0.00 ATOM 122 CD1 PHE 18 3.607 1.694 19.778 1.00 0.00 ATOM 123 CD2 PHE 18 2.259 -0.117 19.021 1.00 0.00 ATOM 124 CE1 PHE 18 3.616 1.155 21.050 1.00 0.00 ATOM 125 CE2 PHE 18 2.269 -0.655 20.294 1.00 0.00 ATOM 126 CZ PHE 18 2.943 -0.025 21.307 1.00 0.00 ATOM 127 O PHE 18 4.525 2.756 14.810 1.00 0.00 ATOM 128 C PHE 18 3.878 1.752 15.095 1.00 0.00 ATOM 129 N VAL 19 3.033 1.176 14.251 1.00 0.00 ATOM 130 CA VAL 19 2.809 1.728 12.926 1.00 0.00 ATOM 131 CB VAL 19 3.369 0.788 11.805 1.00 0.00 ATOM 132 CG1 VAL 19 2.798 -0.626 11.911 1.00 0.00 ATOM 133 CG2 VAL 19 3.134 1.368 10.411 1.00 0.00 ATOM 134 O VAL 19 0.453 1.195 13.079 1.00 0.00 ATOM 135 C VAL 19 1.324 2.016 12.766 1.00 0.00 ATOM 136 N GLY 20 1.013 3.183 12.242 1.00 0.00 ATOM 137 CA GLY 20 -0.370 3.546 11.904 1.00 0.00 ATOM 138 O GLY 20 0.249 3.773 9.601 1.00 0.00 ATOM 139 C GLY 20 -0.513 3.254 10.412 1.00 0.00 ATOM 140 N PHE 21 -1.409 2.306 9.915 1.00 0.00 ATOM 141 CA PHE 21 -1.653 1.892 8.542 1.00 0.00 ATOM 142 CB PHE 21 -1.883 0.378 8.427 1.00 0.00 ATOM 143 CG PHE 21 -0.585 -0.407 8.732 1.00 0.00 ATOM 144 CD1 PHE 21 -0.111 -0.589 10.036 1.00 0.00 ATOM 145 CD2 PHE 21 0.179 -0.877 7.659 1.00 0.00 ATOM 146 CE1 PHE 21 1.051 -1.315 10.284 1.00 0.00 ATOM 147 CE2 PHE 21 1.367 -1.569 7.909 1.00 0.00 ATOM 148 CZ PHE 21 1.821 -1.785 9.210 1.00 0.00 ATOM 149 O PHE 21 -3.998 2.373 8.667 1.00 0.00 ATOM 150 C PHE 21 -2.940 2.568 8.075 1.00 0.00 ATOM 151 N ASN 22 -2.821 3.399 7.045 1.00 0.00 ATOM 152 CA ASN 22 -3.961 4.124 6.493 1.00 0.00 ATOM 153 CB ASN 22 -3.667 5.626 6.471 1.00 0.00 ATOM 154 CG ASN 22 -4.856 6.444 6.008 1.00 0.00 ATOM 155 ND2 ASN 22 -5.441 7.207 6.924 1.00 0.00 ATOM 156 OD1 ASN 22 -5.242 6.391 4.840 1.00 0.00 ATOM 157 O ASN 22 -3.438 3.989 4.168 1.00 0.00 ATOM 158 C ASN 22 -4.284 3.809 5.044 1.00 0.00 ATOM 159 N ARG 23 -5.494 3.156 4.780 1.00 0.00 ATOM 160 CA ARG 23 -5.864 2.794 3.419 1.00 0.00 ATOM 161 CB ARG 23 -6.165 1.273 3.455 1.00 0.00 ATOM 162 CG ARG 23 -7.248 0.892 4.443 1.00 0.00 ATOM 163 CD ARG 23 -8.006 -0.334 3.968 1.00 0.00 ATOM 164 NE ARG 23 -8.934 0.023 2.899 1.00 0.00 ATOM 165 CZ ARG 23 -9.637 -0.844 2.177 1.00 0.00 ATOM 166 NH1 ARG 23 -9.521 -2.147 2.392 1.00 0.00 ATOM 167 NH2 ARG 23 -10.477 -0.400 1.251 1.00 0.00 ATOM 168 O ARG 23 -7.794 4.218 3.483 1.00 0.00 ATOM 169 C ARG 23 -6.877 3.751 2.808 1.00 0.00 ATOM 170 N LYS 24 -6.682 4.127 1.538 1.00 0.00 ATOM 171 CA LYS 24 -7.596 4.974 0.793 1.00 0.00 ATOM 172 CB LYS 24 -7.361 6.438 1.169 1.00 0.00 ATOM 173 CG LYS 24 -5.978 6.958 0.811 1.00 0.00 ATOM 174 CD LYS 24 -5.832 8.429 1.160 1.00 0.00 ATOM 175 CE LYS 24 -4.434 8.936 0.849 1.00 0.00 ATOM 176 NZ LYS 24 -4.288 10.386 1.147 1.00 0.00 ATOM 177 O LYS 24 -6.583 3.866 -1.030 1.00 0.00 ATOM 178 C LYS 24 -7.285 4.808 -0.670 1.00 0.00 ATOM 179 N THR 25 -7.999 5.698 -1.513 1.00 0.00 ATOM 180 CA THR 25 -7.894 5.492 -2.951 1.00 0.00 ATOM 181 CB THR 25 -9.083 6.164 -3.665 1.00 0.00 ATOM 182 CG2 THR 25 -9.049 5.861 -5.155 1.00 0.00 ATOM 183 OG1 THR 25 -10.313 5.674 -3.118 1.00 0.00 ATOM 184 O THR 25 -6.336 7.231 -3.507 1.00 0.00 ATOM 185 C THR 25 -6.600 6.027 -3.564 1.00 0.00 ATOM 186 N GLY 26 -5.764 5.136 -4.028 1.00 0.00 ATOM 187 CA GLY 26 -4.509 5.543 -4.637 1.00 0.00 ATOM 188 O GLY 26 -2.419 4.328 -4.718 1.00 0.00 ATOM 189 C GLY 26 -3.375 4.648 -4.027 1.00 0.00 ATOM 190 N ARG 27 -3.838 4.092 -2.527 1.00 0.00 ATOM 191 CA ARG 27 -2.786 3.317 -1.873 1.00 0.00 ATOM 192 CB ARG 27 -1.487 4.130 -1.842 1.00 0.00 ATOM 193 CG ARG 27 -1.564 5.397 -1.018 1.00 0.00 ATOM 194 CD ARG 27 -0.393 6.293 -1.369 1.00 0.00 ATOM 195 NE ARG 27 -0.377 6.557 -2.804 1.00 0.00 ATOM 196 CZ ARG 27 0.592 7.206 -3.440 1.00 0.00 ATOM 197 NH1 ARG 27 1.638 7.664 -2.766 1.00 0.00 ATOM 198 NH2 ARG 27 0.513 7.393 -4.752 1.00 0.00 ATOM 199 O ARG 27 -3.903 3.596 0.256 1.00 0.00 ATOM 200 C ARG 27 -2.912 3.197 -0.354 1.00 0.00 ATOM 201 N TYR 28 -1.877 2.612 0.239 1.00 0.00 ATOM 202 CA TYR 28 -1.814 2.408 1.678 1.00 0.00 ATOM 203 CB TYR 28 -1.718 0.916 1.975 1.00 0.00 ATOM 204 CG TYR 28 -2.843 0.126 1.343 1.00 0.00 ATOM 205 CD1 TYR 28 -2.761 -0.312 0.021 1.00 0.00 ATOM 206 CD2 TYR 28 -4.002 -0.155 2.058 1.00 0.00 ATOM 207 CE1 TYR 28 -3.815 -1.016 -0.571 1.00 0.00 ATOM 208 CE2 TYR 28 -5.058 -0.854 1.478 1.00 0.00 ATOM 209 CZ TYR 28 -4.957 -1.281 0.168 1.00 0.00 ATOM 210 OH TYR 28 -6.008 -1.974 -0.401 1.00 0.00 ATOM 211 O TYR 28 0.512 3.024 1.642 1.00 0.00 ATOM 212 C TYR 28 -0.569 3.082 2.241 1.00 0.00 ATOM 213 N ILE 29 -0.722 3.740 3.383 1.00 0.00 ATOM 214 CA ILE 29 0.401 4.426 3.996 1.00 0.00 ATOM 215 CB ILE 29 0.101 5.929 4.152 1.00 0.00 ATOM 216 CG1 ILE 29 -0.144 6.568 2.784 1.00 0.00 ATOM 217 CG2 ILE 29 1.273 6.640 4.812 1.00 0.00 ATOM 218 CD1 ILE 29 -0.690 7.977 2.856 1.00 0.00 ATOM 219 O ILE 29 -0.130 3.666 6.205 1.00 0.00 ATOM 220 C ILE 29 0.749 3.913 5.382 1.00 0.00 ATOM 221 N VAL 30 2.040 3.791 5.666 1.00 0.00 ATOM 222 CA VAL 30 2.508 3.363 6.972 1.00 0.00 ATOM 223 CB VAL 30 3.388 2.132 6.792 1.00 0.00 ATOM 224 CG1 VAL 30 3.956 1.591 8.115 1.00 0.00 ATOM 225 CG2 VAL 30 2.676 1.035 6.026 1.00 0.00 ATOM 226 O VAL 30 4.278 4.981 7.082 1.00 0.00 ATOM 227 C VAL 30 3.257 4.528 7.611 1.00 0.00 ATOM 228 N ARG 31 2.752 5.054 8.753 1.00 0.00 ATOM 229 CA ARG 31 3.373 6.199 9.407 1.00 0.00 ATOM 230 CB ARG 31 2.334 7.307 9.523 1.00 0.00 ATOM 231 CG ARG 31 1.753 7.764 8.226 1.00 0.00 ATOM 232 CD ARG 31 0.555 8.630 8.499 1.00 0.00 ATOM 233 NE ARG 31 -0.234 8.831 7.297 1.00 0.00 ATOM 234 CZ ARG 31 0.018 9.772 6.401 1.00 0.00 ATOM 235 NH1 ARG 31 1.032 10.599 6.588 1.00 0.00 ATOM 236 NH2 ARG 31 -0.712 9.871 5.298 1.00 0.00 ATOM 237 O ARG 31 3.301 5.007 11.496 1.00 0.00 ATOM 238 C ARG 31 3.892 5.830 10.793 1.00 0.00 ATOM 239 N PHE 32 4.999 6.455 11.171 1.00 0.00 ATOM 240 CA PHE 32 5.612 6.222 12.467 1.00 0.00 ATOM 241 CB PHE 32 6.544 5.043 12.453 1.00 0.00 ATOM 242 CG PHE 32 7.409 4.982 11.256 1.00 0.00 ATOM 243 CD1 PHE 32 8.554 5.765 11.174 1.00 0.00 ATOM 244 CD2 PHE 32 7.057 4.196 10.172 1.00 0.00 ATOM 245 CE1 PHE 32 9.351 5.727 10.049 1.00 0.00 ATOM 246 CE2 PHE 32 7.892 4.146 9.046 1.00 0.00 ATOM 247 CZ PHE 32 9.007 4.919 8.992 1.00 0.00 ATOM 248 O PHE 32 6.626 8.342 11.999 1.00 0.00 ATOM 249 C PHE 32 6.312 7.520 12.858 1.00 0.00 ATOM 250 N SER 33 6.367 7.878 14.199 1.00 0.00 ATOM 251 CA SER 33 7.007 9.106 14.645 1.00 0.00 ATOM 252 CB SER 33 5.947 10.171 14.875 1.00 0.00 ATOM 253 OG SER 33 6.491 11.313 15.512 1.00 0.00 ATOM 254 O SER 33 7.359 8.063 16.772 1.00 0.00 ATOM 255 C SER 33 7.790 8.835 15.914 1.00 0.00 ATOM 256 N GLU 34 8.953 9.469 16.034 1.00 0.00 ATOM 257 CA GLU 34 9.772 9.311 17.213 1.00 0.00 ATOM 258 CB GLU 34 10.828 8.161 16.999 1.00 0.00 ATOM 259 CG GLU 34 11.656 7.755 18.216 1.00 0.00 ATOM 260 CD GLU 34 10.810 7.243 19.370 1.00 0.00 ATOM 261 OE1 GLU 34 10.084 6.244 19.173 1.00 0.00 ATOM 262 OE2 GLU 34 10.876 7.829 20.476 1.00 0.00 ATOM 263 O GLU 34 10.534 11.522 16.744 1.00 0.00 ATOM 264 C GLU 34 10.639 10.519 17.454 1.00 0.00 ATOM 265 N ASP 35 11.539 10.407 18.421 1.00 0.00 ATOM 266 CA ASP 35 12.407 11.517 18.764 1.00 0.00 ATOM 267 CB ASP 35 13.367 11.120 19.887 1.00 0.00 ATOM 268 CG ASP 35 12.675 11.012 21.233 1.00 0.00 ATOM 269 OD1 ASP 35 11.517 11.464 21.343 1.00 0.00 ATOM 270 OD2 ASP 35 13.292 10.473 22.176 1.00 0.00 ATOM 271 O ASP 35 13.566 13.204 17.529 1.00 0.00 ATOM 272 C ASP 35 13.276 12.011 17.609 1.00 0.00 ATOM 273 N SER 36 13.673 11.088 16.645 1.00 0.00 ATOM 274 CA SER 36 14.489 11.550 15.527 1.00 0.00 ATOM 275 CB SER 36 15.327 9.952 15.343 1.00 0.00 ATOM 276 OG SER 36 14.631 9.469 14.203 1.00 0.00 ATOM 277 O SER 36 14.258 12.715 13.449 1.00 0.00 ATOM 278 C SER 36 13.685 12.184 14.397 1.00 0.00 ATOM 279 N PHE 37 12.362 12.129 14.496 1.00 0.00 ATOM 280 CA PHE 37 11.525 12.722 13.469 1.00 0.00 ATOM 281 CB PHE 37 12.100 12.531 12.058 1.00 0.00 ATOM 282 CG PHE 37 13.175 13.535 11.683 1.00 0.00 ATOM 283 CD1 PHE 37 13.769 14.393 12.633 1.00 0.00 ATOM 284 CD2 PHE 37 13.622 13.597 10.354 1.00 0.00 ATOM 285 CE1 PHE 37 14.778 15.312 12.248 1.00 0.00 ATOM 286 CE2 PHE 37 14.619 14.501 9.964 1.00 0.00 ATOM 287 CZ PHE 37 15.198 15.367 10.923 1.00 0.00 ATOM 288 O PHE 37 10.222 10.714 13.880 1.00 0.00 ATOM 289 C PHE 37 10.371 11.754 13.212 1.00 0.00 ATOM 290 N GLY 38 9.504 12.053 12.077 1.00 0.00 ATOM 291 CA GLY 38 8.473 11.120 11.650 1.00 0.00 ATOM 292 O GLY 38 9.237 11.404 9.389 1.00 0.00 ATOM 293 C GLY 38 8.613 10.705 10.194 1.00 0.00 ATOM 294 N MET 39 8.037 9.558 9.865 1.00 0.00 ATOM 295 CA MET 39 8.119 9.076 8.502 1.00 0.00 ATOM 296 CB MET 39 9.210 8.006 8.392 1.00 0.00 ATOM 297 CG MET 39 10.597 8.587 8.416 1.00 0.00 ATOM 298 SD MET 39 11.916 7.161 8.295 1.00 0.00 ATOM 299 CE MET 39 11.890 6.938 9.747 1.00 0.00 ATOM 300 O MET 39 6.054 7.895 8.818 1.00 0.00 ATOM 301 C MET 39 6.855 8.396 8.025 1.00 0.00 ATOM 302 N ASP 40 6.665 8.403 6.715 1.00 0.00 ATOM 303 CA ASP 40 5.511 7.755 6.131 1.00 0.00 ATOM 304 CB ASP 40 4.317 8.210 6.006 1.00 0.00 ATOM 305 CG ASP 40 4.079 9.714 6.084 1.00 0.00 ATOM 306 OD1 ASP 40 3.381 10.258 5.198 1.00 0.00 ATOM 307 OD2 ASP 40 4.568 10.353 7.041 1.00 0.00 ATOM 308 O ASP 40 6.647 7.707 4.015 1.00 0.00 ATOM 309 C ASP 40 5.946 7.104 4.830 1.00 0.00 ATOM 310 N VAL 41 5.539 5.858 4.653 1.00 0.00 ATOM 311 CA VAL 41 5.866 5.133 3.443 1.00 0.00 ATOM 312 CB VAL 41 6.567 3.795 3.761 1.00 0.00 ATOM 313 CG1 VAL 41 6.864 3.052 2.481 1.00 0.00 ATOM 314 CG2 VAL 41 7.847 4.040 4.538 1.00 0.00 ATOM 315 O VAL 41 3.599 4.333 3.325 1.00 0.00 ATOM 316 C VAL 41 4.534 4.902 2.736 1.00 0.00 ATOM 317 N ALA 42 4.448 5.300 1.514 1.00 0.00 ATOM 318 CA ALA 42 3.210 5.125 0.762 1.00 0.00 ATOM 319 CB ALA 42 2.784 6.462 0.173 1.00 0.00 ATOM 320 O ALA 42 4.427 4.163 -1.059 1.00 0.00 ATOM 321 C ALA 42 3.410 4.127 -0.367 1.00 0.00 ATOM 322 N ASP 43 2.457 3.234 -0.516 1.00 0.00 ATOM 323 CA ASP 43 2.463 2.192 -1.574 1.00 0.00 ATOM 324 CB ASP 43 1.823 2.558 -2.827 1.00 0.00 ATOM 325 CG ASP 43 1.733 4.023 -3.166 1.00 0.00 ATOM 326 OD1 ASP 43 2.057 4.908 -2.342 1.00 0.00 ATOM 327 OD2 ASP 43 1.318 4.306 -4.320 1.00 0.00 ATOM 328 O ASP 43 4.279 0.924 -2.482 1.00 0.00 ATOM 329 C ASP 43 3.667 1.267 -1.461 1.00 0.00 ATOM 330 N ASP 44 3.994 0.957 -0.210 1.00 0.00 ATOM 331 CA ASP 44 5.123 0.065 0.059 1.00 0.00 ATOM 332 CB ASP 44 4.765 -0.552 1.620 1.00 0.00 ATOM 333 CG ASP 44 3.702 0.190 2.404 1.00 0.00 ATOM 334 OD1 ASP 44 4.033 1.300 2.867 1.00 0.00 ATOM 335 OD2 ASP 44 2.588 -0.329 2.585 1.00 0.00 ATOM 336 O ASP 44 5.958 -1.784 -1.181 1.00 0.00 ATOM 337 C ASP 44 4.995 -1.280 -0.617 1.00 0.00 ATOM 338 N SER 45 3.762 -1.946 -0.472 1.00 0.00 ATOM 339 CA SER 45 3.546 -3.274 -1.044 1.00 0.00 ATOM 340 CB SER 45 2.207 -3.853 -0.649 1.00 0.00 ATOM 341 OG SER 45 1.120 -3.190 -1.200 1.00 0.00 ATOM 342 O SER 45 4.181 -4.213 -3.120 1.00 0.00 ATOM 343 C SER 45 3.705 -3.253 -2.569 1.00 0.00 ATOM 344 N ILE 46 3.350 -2.160 -3.231 1.00 0.00 ATOM 345 CA ILE 46 3.577 -2.056 -4.685 1.00 0.00 ATOM 346 CB ILE 46 2.548 -1.155 -5.388 1.00 0.00 ATOM 347 CG1 ILE 46 1.085 -1.466 -5.085 1.00 0.00 ATOM 348 CG2 ILE 46 2.772 -1.014 -6.892 1.00 0.00 ATOM 349 CD1 ILE 46 0.134 -0.358 -5.468 1.00 0.00 ATOM 350 O ILE 46 5.415 -0.524 -4.990 1.00 0.00 ATOM 351 C ILE 46 5.029 -1.694 -4.979 1.00 0.00 ATOM 352 N THR 47 5.887 -2.786 -5.099 1.00 0.00 ATOM 353 CA THR 47 7.304 -2.641 -5.396 1.00 0.00 ATOM 354 CB THR 47 7.982 -3.924 -5.894 1.00 0.00 ATOM 355 CG2 THR 47 9.331 -3.628 -6.523 1.00 0.00 ATOM 356 OG1 THR 47 8.185 -4.773 -4.760 1.00 0.00 ATOM 357 O THR 47 8.369 -0.547 -5.932 1.00 0.00 ATOM 358 C THR 47 7.570 -1.413 -6.308 1.00 0.00 ATOM 359 N PRO 48 6.868 -1.369 -7.480 1.00 0.00 ATOM 360 CA PRO 48 7.056 -0.235 -8.394 1.00 0.00 ATOM 361 CB PRO 48 6.313 -0.693 -9.643 1.00 0.00 ATOM 362 CG PRO 48 5.265 -1.606 -9.126 1.00 0.00 ATOM 363 CD PRO 48 5.938 -2.363 -8.040 1.00 0.00 ATOM 364 O PRO 48 7.029 2.125 -8.332 1.00 0.00 ATOM 365 C PRO 48 6.581 1.085 -7.822 1.00 0.00 ATOM 366 N THR 49 5.702 1.077 -6.789 1.00 0.00 ATOM 367 CA THR 49 5.191 2.405 -6.347 1.00 0.00 ATOM 368 CB THR 49 3.649 2.504 -6.485 1.00 0.00 ATOM 369 CG2 THR 49 3.161 1.999 -7.806 1.00 0.00 ATOM 370 OG1 THR 49 3.021 1.774 -5.443 1.00 0.00 ATOM 371 O THR 49 5.174 3.965 -4.527 1.00 0.00 ATOM 372 C THR 49 5.595 2.889 -4.952 1.00 0.00 ATOM 373 N SER 50 6.480 2.146 -4.289 1.00 0.00 ATOM 374 CA SER 50 6.877 2.489 -2.922 1.00 0.00 ATOM 375 CB SER 50 7.679 1.380 -2.267 1.00 0.00 ATOM 376 OG SER 50 6.960 0.159 -2.203 1.00 0.00 ATOM 377 O SER 50 8.589 4.041 -3.580 1.00 0.00 ATOM 378 C SER 50 7.633 3.811 -2.828 1.00 0.00 ATOM 379 N GLU 51 7.158 4.947 -1.964 1.00 0.00 ATOM 380 CA GLU 51 7.842 6.187 -1.632 1.00 0.00 ATOM 381 CB GLU 51 6.975 7.378 -1.995 1.00 0.00 ATOM 382 CG GLU 51 6.831 7.630 -3.487 1.00 0.00 ATOM 383 CD GLU 51 5.854 8.762 -3.800 1.00 0.00 ATOM 384 OE1 GLU 51 4.936 9.031 -2.992 1.00 0.00 ATOM 385 OE2 GLU 51 6.000 9.386 -4.865 1.00 0.00 ATOM 386 O GLU 51 7.054 6.133 0.631 1.00 0.00 ATOM 387 C GLU 51 8.020 6.289 -0.119 1.00 0.00 ATOM 388 N PHE 52 9.211 6.610 0.292 1.00 0.00 ATOM 389 CA PHE 52 9.529 6.744 1.697 1.00 0.00 ATOM 390 CB PHE 52 10.823 6.004 2.100 1.00 0.00 ATOM 391 CG PHE 52 10.760 4.533 1.841 1.00 0.00 ATOM 392 CD1 PHE 52 11.165 4.022 0.612 1.00 0.00 ATOM 393 CD2 PHE 52 10.217 3.679 2.797 1.00 0.00 ATOM 394 CE1 PHE 52 11.031 2.681 0.335 1.00 0.00 ATOM 395 CE2 PHE 52 10.079 2.305 2.516 1.00 0.00 ATOM 396 CZ PHE 52 10.497 1.813 1.268 1.00 0.00 ATOM 397 O PHE 52 10.538 8.832 1.268 1.00 0.00 ATOM 398 C PHE 52 9.702 8.206 1.929 1.00 0.00 ATOM 399 N VAL 53 8.947 8.782 2.839 1.00 0.00 ATOM 400 CA VAL 53 8.941 10.212 3.080 1.00 0.00 ATOM 401 CB VAL 53 7.536 10.793 3.008 1.00 0.00 ATOM 402 CG1 VAL 53 7.532 12.235 3.505 1.00 0.00 ATOM 403 CG2 VAL 53 7.053 10.709 1.567 1.00 0.00 ATOM 404 O VAL 53 8.854 9.708 5.421 1.00 0.00 ATOM 405 C VAL 53 9.296 10.477 4.540 1.00 0.00 ATOM 406 N TRP 54 10.044 11.517 4.807 1.00 0.00 ATOM 407 CA TRP 54 10.267 11.906 6.207 1.00 0.00 ATOM 408 CB TRP 54 11.529 11.327 6.767 1.00 0.00 ATOM 409 CG TRP 54 12.714 11.594 5.962 1.00 0.00 ATOM 410 CD1 TRP 54 13.464 12.737 5.890 1.00 0.00 ATOM 411 CD2 TRP 54 13.308 10.608 5.116 1.00 0.00 ATOM 412 CE2 TRP 54 14.432 11.227 4.533 1.00 0.00 ATOM 413 CE3 TRP 54 13.051 9.289 4.758 1.00 0.00 ATOM 414 NE1 TRP 54 14.515 12.517 5.015 1.00 0.00 ATOM 415 CZ2 TRP 54 15.271 10.575 3.636 1.00 0.00 ATOM 416 CZ3 TRP 54 13.861 8.631 3.879 1.00 0.00 ATOM 417 CH2 TRP 54 14.968 9.283 3.319 1.00 0.00 ATOM 418 O TRP 54 9.947 14.131 5.456 1.00 0.00 ATOM 419 C TRP 54 9.841 13.326 6.390 1.00 0.00 ATOM 420 N SER 55 9.318 13.623 7.586 1.00 0.00 ATOM 421 CA SER 55 9.122 14.996 8.012 1.00 0.00 ATOM 422 CB SER 55 7.666 15.258 8.345 1.00 0.00 ATOM 423 OG SER 55 7.548 16.517 8.982 1.00 0.00 ATOM 424 O SER 55 9.780 14.464 10.256 1.00 0.00 ATOM 425 C SER 55 9.976 15.161 9.258 1.00 0.00 ATOM 426 N SER 56 10.882 16.087 9.177 1.00 0.00 ATOM 427 CA SER 56 11.785 16.379 10.280 1.00 0.00 ATOM 428 CB SER 56 12.971 17.271 9.787 1.00 0.00 ATOM 429 OG SER 56 12.535 18.573 9.428 1.00 0.00 ATOM 430 O SER 56 9.971 17.688 11.150 1.00 0.00 ATOM 431 C SER 56 11.070 17.219 11.347 1.00 0.00 ATOM 432 N VAL 57 11.691 17.347 12.499 1.00 0.00 ATOM 433 CA VAL 57 11.060 17.968 13.642 1.00 0.00 ATOM 434 CB VAL 57 12.151 17.538 14.822 1.00 0.00 ATOM 435 CG1 VAL 57 11.886 18.334 16.095 1.00 0.00 ATOM 436 CG2 VAL 57 12.016 16.043 15.089 1.00 0.00 ATOM 437 O VAL 57 10.280 20.129 14.226 1.00 0.00 ATOM 438 C VAL 57 10.951 19.472 13.430 1.00 0.00 ATOM 439 N ARG 58 11.461 19.871 12.195 1.00 0.00 ATOM 440 CA ARG 58 11.269 21.281 11.869 1.00 0.00 ATOM 441 CB ARG 58 12.820 21.852 11.979 1.00 0.00 ATOM 442 CG ARG 58 12.990 23.347 11.721 1.00 0.00 ATOM 443 CD ARG 58 14.449 23.697 11.361 1.00 0.00 ATOM 444 NE ARG 58 14.811 23.089 10.083 1.00 0.00 ATOM 445 CZ ARG 58 16.036 22.746 9.721 1.00 0.00 ATOM 446 NH1 ARG 58 17.071 22.976 10.528 1.00 0.00 ATOM 447 NH2 ARG 58 16.217 22.180 8.528 1.00 0.00 ATOM 448 O ARG 58 9.904 22.691 10.508 1.00 0.00 ATOM 449 C ARG 58 10.063 21.565 10.995 1.00 0.00 ATOM 450 N ASP 59 9.296 20.540 10.652 1.00 0.00 ATOM 451 CA ASP 59 8.148 20.668 9.777 1.00 0.00 ATOM 452 CB ASP 59 7.100 21.569 10.448 1.00 0.00 ATOM 453 CG ASP 59 6.571 20.902 11.708 1.00 0.00 ATOM 454 OD1 ASP 59 6.064 19.759 11.639 1.00 0.00 ATOM 455 OD2 ASP 59 6.696 21.495 12.798 1.00 0.00 ATOM 456 O ASP 59 7.664 21.683 7.667 1.00 0.00 ATOM 457 C ASP 59 8.505 21.112 8.368 1.00 0.00 ATOM 458 N ASP 60 9.658 20.686 7.844 1.00 0.00 ATOM 459 CA ASP 60 9.973 20.789 6.434 1.00 0.00 ATOM 460 CB ASP 60 11.438 20.827 6.195 1.00 0.00 ATOM 461 CG ASP 60 12.045 22.021 6.897 1.00 0.00 ATOM 462 OD1 ASP 60 11.568 23.160 6.663 1.00 0.00 ATOM 463 OD2 ASP 60 12.946 21.874 7.725 1.00 0.00 ATOM 464 O ASP 60 8.846 19.676 4.547 1.00 0.00 ATOM 465 C ASP 60 9.289 19.639 5.686 1.00 0.00 ATOM 466 N VAL 61 11.583 19.814 4.005 1.00 0.00 ATOM 467 CA VAL 61 11.215 20.147 2.663 1.00 0.00 ATOM 468 CB VAL 61 11.075 18.891 1.821 1.00 0.00 ATOM 469 CG1 VAL 61 10.466 19.196 0.462 1.00 0.00 ATOM 470 CG2 VAL 61 12.446 18.242 1.655 1.00 0.00 ATOM 471 O VAL 61 9.021 20.308 3.608 1.00 0.00 ATOM 472 C VAL 61 9.861 20.817 2.871 1.00 0.00 ATOM 473 N MET 62 9.691 21.990 2.266 1.00 0.00 ATOM 474 CA MET 62 8.463 22.763 2.412 1.00 0.00 ATOM 475 CB MET 62 8.540 24.063 1.708 1.00 0.00 ATOM 476 CG MET 62 9.410 25.031 2.489 1.00 0.00 ATOM 477 SD MET 62 8.631 25.605 4.053 1.00 0.00 ATOM 478 CE MET 62 7.619 26.903 3.349 1.00 0.00 ATOM 479 O MET 62 6.232 21.933 2.474 1.00 0.00 ATOM 480 C MET 62 7.289 21.963 1.879 1.00 0.00 ATOM 481 N ARG 63 7.398 21.205 0.719 1.00 0.00 ATOM 482 CA ARG 63 6.318 20.362 0.191 1.00 0.00 ATOM 483 CB ARG 63 6.727 19.735 -1.138 1.00 0.00 ATOM 484 CG ARG 63 6.670 20.692 -2.309 1.00 0.00 ATOM 485 CD ARG 63 7.271 20.058 -3.552 1.00 0.00 ATOM 486 NE ARG 63 7.097 20.901 -4.729 1.00 0.00 ATOM 487 CZ ARG 63 7.841 20.812 -5.827 1.00 0.00 ATOM 488 NH1 ARG 63 8.818 19.918 -5.900 1.00 0.00 ATOM 489 NH2 ARG 63 7.605 21.620 -6.852 1.00 0.00 ATOM 490 O ARG 63 4.802 18.995 1.456 1.00 0.00 ATOM 491 C ARG 63 5.961 19.228 1.173 1.00 0.00 ATOM 492 N LEU 64 6.968 18.579 1.760 1.00 0.00 ATOM 493 CA LEU 64 6.741 17.480 2.695 1.00 0.00 ATOM 494 CB LEU 64 8.076 16.791 3.034 1.00 0.00 ATOM 495 CG LEU 64 8.729 16.008 1.888 1.00 0.00 ATOM 496 CD1 LEU 64 10.120 15.570 2.294 1.00 0.00 ATOM 497 CD2 LEU 64 7.870 14.794 1.524 1.00 0.00 ATOM 498 O LEU 64 5.180 17.317 4.517 1.00 0.00 ATOM 499 C LEU 64 6.046 17.989 3.958 1.00 0.00 ATOM 500 N GLY 65 6.470 19.165 4.441 1.00 0.00 ATOM 501 CA GLY 65 5.902 19.688 5.670 1.00 0.00 ATOM 502 O GLY 65 3.661 19.739 6.503 1.00 0.00 ATOM 503 C GLY 65 4.414 19.962 5.556 1.00 0.00 ATOM 504 N ARG 66 3.992 20.439 4.371 1.00 0.00 ATOM 505 CA ARG 66 2.585 20.736 4.144 1.00 0.00 ATOM 506 CB ARG 66 2.492 21.310 2.719 1.00 0.00 ATOM 507 CG ARG 66 1.076 21.682 2.356 1.00 0.00 ATOM 508 CD ARG 66 1.031 22.352 1.013 1.00 0.00 ATOM 509 NE ARG 66 1.545 23.689 1.233 1.00 0.00 ATOM 510 CZ ARG 66 0.749 24.672 1.671 1.00 0.00 ATOM 511 NH1 ARG 66 -0.519 24.418 1.944 1.00 0.00 ATOM 512 NH2 ARG 66 1.199 25.905 1.892 1.00 0.00 ATOM 513 O ARG 66 0.719 19.498 5.001 1.00 0.00 ATOM 514 C ARG 66 1.726 19.489 4.295 1.00 0.00 ATOM 515 N GLU 67 2.200 18.429 3.717 1.00 0.00 ATOM 516 CA GLU 67 1.470 17.172 3.810 1.00 0.00 ATOM 517 CB GLU 67 2.074 16.130 2.865 1.00 0.00 ATOM 518 CG GLU 67 1.858 16.432 1.391 1.00 0.00 ATOM 519 CD GLU 67 2.573 15.449 0.485 1.00 0.00 ATOM 520 OE1 GLU 67 3.294 14.574 1.009 1.00 0.00 ATOM 521 OE2 GLU 67 2.412 15.551 -0.750 1.00 0.00 ATOM 522 O GLU 67 0.464 16.137 5.744 1.00 0.00 ATOM 523 C GLU 67 1.478 16.628 5.241 1.00 0.00 ATOM 524 N GLN 68 2.620 16.752 5.905 1.00 0.00 ATOM 525 CA GLN 68 2.734 16.249 7.266 1.00 0.00 ATOM 526 CB GLN 68 4.162 16.172 7.683 1.00 0.00 ATOM 527 CG GLN 68 4.888 15.080 6.792 1.00 0.00 ATOM 528 CD GLN 68 4.149 13.670 6.740 1.00 0.00 ATOM 529 OE1 GLN 68 3.709 13.192 5.653 1.00 0.00 ATOM 530 NE2 GLN 68 4.009 13.033 7.917 1.00 0.00 ATOM 531 O GLN 68 1.222 16.476 9.125 1.00 0.00 ATOM 532 C GLN 68 1.862 17.045 8.235 1.00 0.00 ATOM 533 N LEU 69 1.886 18.362 8.110 1.00 0.00 ATOM 534 CA LEU 69 1.088 19.211 8.981 1.00 0.00 ATOM 535 CB LEU 69 1.309 20.687 8.645 1.00 0.00 ATOM 536 CG LEU 69 2.689 21.260 8.976 1.00 0.00 ATOM 537 CD1 LEU 69 2.829 22.671 8.428 1.00 0.00 ATOM 538 CD2 LEU 69 2.903 21.308 10.481 1.00 0.00 ATOM 539 O LEU 69 -1.143 18.864 9.798 1.00 0.00 ATOM 540 C LEU 69 -0.398 18.904 8.818 1.00 0.00 ATOM 541 N GLN 70 -0.816 18.698 7.571 1.00 0.00 ATOM 542 CA GLN 70 -2.210 18.386 7.253 1.00 0.00 ATOM 543 CB GLN 70 -2.410 18.241 5.743 1.00 0.00 ATOM 544 CG GLN 70 -2.320 19.551 4.978 1.00 0.00 ATOM 545 CD GLN 70 -2.389 19.354 3.475 1.00 0.00 ATOM 546 OE1 GLN 70 -2.427 18.223 2.990 1.00 0.00 ATOM 547 NE2 GLN 70 -2.407 20.457 2.736 1.00 0.00 ATOM 548 O GLN 70 -3.694 16.977 8.543 1.00 0.00 ATOM 549 C GLN 70 -2.618 17.067 7.912 1.00 0.00 ATOM 550 N ILE 71 -1.779 15.970 7.797 1.00 0.00 ATOM 551 CA ILE 71 -2.138 14.681 8.394 1.00 0.00 ATOM 552 CB ILE 71 -1.131 13.596 7.874 1.00 0.00 ATOM 553 CG1 ILE 71 -1.298 13.397 6.366 1.00 0.00 ATOM 554 CG2 ILE 71 -1.333 12.292 8.626 1.00 0.00 ATOM 555 CD1 ILE 71 -2.609 12.750 5.967 1.00 0.00 ATOM 556 O ILE 71 -3.113 14.147 10.528 1.00 0.00 ATOM 557 C ILE 71 -2.216 14.737 9.919 1.00 0.00 ATOM 558 N LEU 72 -1.292 15.465 10.541 1.00 0.00 ATOM 559 CA LEU 72 -1.287 15.547 11.996 1.00 0.00 ATOM 560 CB LEU 72 0.050 16.195 12.462 1.00 0.00 ATOM 561 CG LEU 72 1.301 15.329 12.361 1.00 0.00 ATOM 562 CD1 LEU 72 2.519 16.183 12.661 1.00 0.00 ATOM 563 CD2 LEU 72 1.209 14.162 13.340 1.00 0.00 ATOM 564 O LEU 72 -3.143 15.806 13.501 1.00 0.00 ATOM 565 C LEU 72 -2.513 16.269 12.545 1.00 0.00 ATOM 566 N LEU 73 -2.876 17.390 11.924 1.00 0.00 ATOM 567 CA LEU 73 -4.025 18.155 12.383 1.00 0.00 ATOM 568 CB LEU 73 -4.078 19.498 11.650 1.00 0.00 ATOM 569 CG LEU 73 -2.874 20.423 11.845 1.00 0.00 ATOM 570 CD1 LEU 73 -3.010 21.669 10.984 1.00 0.00 ATOM 571 CD2 LEU 73 -2.757 20.859 13.298 1.00 0.00 ATOM 572 O LEU 73 -6.102 17.251 13.170 1.00 0.00 ATOM 573 C LEU 73 -5.306 17.354 12.227 1.00 0.00 ATOM 574 N GLU 74 -5.516 16.779 11.046 1.00 0.00 ATOM 575 CA GLU 74 -6.712 15.988 10.805 1.00 0.00 ATOM 576 CB GLU 74 -6.951 15.514 9.369 1.00 0.00 ATOM 577 CG GLU 74 -7.242 16.635 8.386 1.00 0.00 ATOM 578 CD GLU 74 -7.404 16.135 6.964 1.00 0.00 ATOM 579 OE1 GLU 74 -7.275 14.912 6.746 1.00 0.00 ATOM 580 OE2 GLU 74 -7.660 16.966 6.067 1.00 0.00 ATOM 581 O GLU 74 -7.781 14.153 11.899 1.00 0.00 ATOM 582 C GLU 74 -6.716 14.703 11.632 1.00 0.00 ATOM 583 N GLN 75 -5.541 14.158 11.938 1.00 0.00 ATOM 584 CA GLN 75 -5.486 12.921 12.715 1.00 0.00 ATOM 585 CB GLN 75 -4.036 12.585 13.070 1.00 0.00 ATOM 586 CG GLN 75 -3.876 11.315 13.889 1.00 0.00 ATOM 587 CD GLN 75 -2.427 11.001 14.202 1.00 0.00 ATOM 588 OE1 GLN 75 -1.530 11.780 13.878 1.00 0.00 ATOM 589 NE2 GLN 75 -2.193 9.858 14.837 1.00 0.00 ATOM 590 O GLN 75 -7.075 12.203 14.378 1.00 0.00 ATOM 591 C GLN 75 -6.244 13.056 14.045 1.00 0.00 ATOM 592 N ASN 76 -5.749 14.156 14.744 1.00 0.00 ATOM 593 CA ASN 76 -6.386 14.423 16.041 1.00 0.00 ATOM 594 CB ASN 76 -5.835 15.712 16.652 1.00 0.00 ATOM 595 CG ASN 76 -4.427 15.547 17.189 1.00 0.00 ATOM 596 ND2 ASN 76 -3.723 16.661 17.354 1.00 0.00 ATOM 597 OD1 ASN 76 -3.980 14.430 17.453 1.00 0.00 ATOM 598 O ASN 76 -8.664 14.205 16.788 1.00 0.00 ATOM 599 C ASN 76 -7.904 14.579 15.894 1.00 0.00 ATOM 600 N ILE 77 -8.339 15.125 14.766 1.00 0.00 ATOM 601 CA ILE 77 -9.770 15.310 14.566 1.00 0.00 ATOM 602 CB ILE 77 -9.986 16.337 13.390 1.00 0.00 ATOM 603 CG1 ILE 77 -9.486 17.749 13.698 1.00 0.00 ATOM 604 CG2 ILE 77 -11.456 16.370 12.996 1.00 0.00 ATOM 605 CD1 ILE 77 -9.359 18.579 12.438 1.00 0.00 ATOM 606 O ILE 77 -11.667 13.869 14.893 1.00 0.00 ATOM 607 C ILE 77 -10.495 13.970 14.532 1.00 0.00 ATOM 608 N ASN 78 -9.804 12.924 14.123 1.00 0.00 ATOM 609 CA ASN 78 -10.436 11.610 14.015 1.00 0.00 ATOM 610 CB ASN 78 -9.563 10.618 13.339 1.00 0.00 ATOM 611 CG ASN 78 -9.496 10.884 11.818 1.00 0.00 ATOM 612 ND2 ASN 78 -8.520 10.269 11.161 1.00 0.00 ATOM 613 OD1 ASN 78 -10.304 11.644 11.253 1.00 0.00 ATOM 614 O ASN 78 -11.626 10.310 15.635 1.00 0.00 ATOM 615 C ASN 78 -10.729 11.120 15.433 1.00 0.00 ATOM 616 N GLU 79 -9.953 11.613 16.477 1.00 0.00 ATOM 617 CA GLU 79 -10.206 11.254 17.871 1.00 0.00 ATOM 618 CB GLU 79 -9.130 11.911 18.775 1.00 0.00 ATOM 619 CG GLU 79 -7.813 11.159 18.646 1.00 0.00 ATOM 620 CD GLU 79 -6.670 11.822 19.381 1.00 0.00 ATOM 621 OE1 GLU 79 -6.929 12.508 20.386 1.00 0.00 ATOM 622 OE2 GLU 79 -5.511 11.638 18.958 1.00 0.00 ATOM 623 O GLU 79 -12.239 11.161 19.196 1.00 0.00 ATOM 624 C GLU 79 -11.629 11.706 18.280 1.00 0.00 ATOM 625 N ARG 80 -12.124 12.742 17.627 1.00 0.00 ATOM 626 CA ARG 80 -13.429 13.281 18.005 1.00 0.00 ATOM 627 CB ARG 80 -13.248 14.771 18.453 1.00 0.00 ATOM 628 CG ARG 80 -14.532 15.404 18.976 1.00 0.00 ATOM 629 CD ARG 80 -14.334 16.839 19.477 1.00 0.00 ATOM 630 NE ARG 80 -13.983 17.771 18.409 1.00 0.00 ATOM 631 CZ ARG 80 -12.768 18.277 18.220 1.00 0.00 ATOM 632 NH1 ARG 80 -11.767 17.945 19.031 1.00 0.00 ATOM 633 NH2 ARG 80 -12.554 19.119 17.217 1.00 0.00 ATOM 634 O ARG 80 -15.615 12.729 17.199 1.00 0.00 ATOM 635 C ARG 80 -14.443 12.954 16.907 1.00 0.00 ATOM 636 N LEU 81 -14.056 12.924 15.685 1.00 0.00 ATOM 637 CA LEU 81 -14.962 12.620 14.580 1.00 0.00 ATOM 638 CB LEU 81 -14.799 13.548 13.395 1.00 0.00 ATOM 639 CG LEU 81 -15.197 14.987 13.689 1.00 0.00 ATOM 640 CD1 LEU 81 -15.070 15.872 12.489 1.00 0.00 ATOM 641 CD2 LEU 81 -16.645 15.036 14.285 1.00 0.00 ATOM 642 O LEU 81 -13.478 10.807 14.050 1.00 0.00 ATOM 643 C LEU 81 -14.626 11.247 14.008 1.00 0.00 ATOM 644 N ASN 82 -15.658 10.537 13.526 1.00 0.00 ATOM 645 CA ASN 82 -15.473 9.229 12.911 1.00 0.00 ATOM 646 CB ASN 82 -16.819 8.532 12.890 1.00 0.00 ATOM 647 CG ASN 82 -16.686 7.172 12.230 1.00 0.00 ATOM 648 ND2 ASN 82 -17.773 6.666 11.662 1.00 0.00 ATOM 649 OD1 ASN 82 -15.587 6.621 12.225 1.00 0.00 ATOM 650 O ASN 82 -15.739 9.548 10.555 1.00 0.00 ATOM 651 C ASN 82 -14.975 9.332 11.449 1.00 0.00 ATOM 652 N ILE 83 -13.629 9.192 11.118 1.00 0.00 ATOM 653 CA ILE 83 -13.069 9.356 9.793 1.00 0.00 ATOM 654 CB ILE 83 -11.506 9.417 9.800 1.00 0.00 ATOM 655 CG1 ILE 83 -10.949 9.834 8.436 1.00 0.00 ATOM 656 CG2 ILE 83 -10.924 8.057 10.234 1.00 0.00 ATOM 657 CD1 ILE 83 -9.491 10.239 8.491 1.00 0.00 ATOM 658 O ILE 83 -13.569 7.181 8.956 1.00 0.00 ATOM 659 C ILE 83 -13.585 8.339 8.730 1.00 0.00 ATOM 660 N GLY 84 -14.075 8.856 7.652 1.00 0.00 ATOM 661 CA GLY 84 -14.759 8.070 6.662 1.00 0.00 ATOM 662 O GLY 84 -14.211 6.528 4.913 1.00 0.00 ATOM 663 C GLY 84 -13.812 7.321 5.821 1.00 0.00 ATOM 664 N GLU 85 -12.463 7.411 5.930 1.00 0.00 ATOM 665 CA GLU 85 -11.505 6.799 5.102 1.00 0.00 ATOM 666 CB GLU 85 -10.101 7.478 5.126 1.00 0.00 ATOM 667 CG GLU 85 -10.203 9.017 5.013 1.00 0.00 ATOM 668 CD GLU 85 -10.677 9.475 3.683 1.00 0.00 ATOM 669 OE1 GLU 85 -10.653 8.520 2.798 1.00 0.00 ATOM 670 OE2 GLU 85 -11.156 10.581 3.470 1.00 0.00 ATOM 671 O GLU 85 -11.505 4.758 6.364 1.00 0.00 ATOM 672 C GLU 85 -11.573 5.267 5.236 1.00 0.00 ATOM 673 N PRO 86 -11.627 4.560 4.136 1.00 0.00 ATOM 674 CA PRO 86 -11.920 3.106 4.260 1.00 0.00 ATOM 675 CB PRO 86 -12.353 2.740 2.837 1.00 0.00 ATOM 676 CG PRO 86 -11.578 3.729 1.950 1.00 0.00 ATOM 677 CD PRO 86 -11.741 5.021 2.732 1.00 0.00 ATOM 678 O PRO 86 -11.018 1.400 5.528 1.00 0.00 ATOM 679 C PRO 86 -10.742 2.256 4.674 1.00 0.00 ATOM 680 N LEU 87 -9.692 2.926 5.833 1.00 0.00 ATOM 681 CA LEU 87 -9.449 2.221 7.088 1.00 0.00 ATOM 682 CB LEU 87 -9.204 0.759 6.751 1.00 0.00 ATOM 683 CG LEU 87 -8.814 -0.124 7.907 1.00 0.00 ATOM 684 CD1 LEU 87 -9.808 -0.081 9.038 1.00 0.00 ATOM 685 CD2 LEU 87 -8.691 -1.583 7.392 1.00 0.00 ATOM 686 O LEU 87 -7.080 2.550 7.036 1.00 0.00 ATOM 687 C LEU 87 -8.113 2.614 7.699 1.00 0.00 ATOM 688 N LEU 88 -8.132 2.951 8.983 1.00 0.00 ATOM 689 CA LEU 88 -6.917 3.318 9.693 1.00 0.00 ATOM 690 CB LEU 88 -7.003 4.799 10.063 1.00 0.00 ATOM 691 CG LEU 88 -5.822 5.373 10.847 1.00 0.00 ATOM 692 CD1 LEU 88 -4.548 5.312 10.017 1.00 0.00 ATOM 693 CD2 LEU 88 -6.076 6.826 11.217 1.00 0.00 ATOM 694 O LEU 88 -7.674 2.486 11.809 1.00 0.00 ATOM 695 C LEU 88 -6.775 2.496 10.967 1.00 0.00 ATOM 696 N VAL 89 -5.640 1.812 11.102 1.00 0.00 ATOM 697 CA VAL 89 -5.381 0.960 12.255 1.00 0.00 ATOM 698 CB VAL 89 -5.611 -0.523 11.908 1.00 0.00 ATOM 699 CG1 VAL 89 -7.065 -0.763 11.537 1.00 0.00 ATOM 700 CG2 VAL 89 -4.739 -0.936 10.732 1.00 0.00 ATOM 701 O VAL 89 -3.019 1.161 11.924 1.00 0.00 ATOM 702 C VAL 89 -3.936 1.066 12.738 1.00 0.00 ATOM 703 N TYR 90 -3.727 0.831 14.032 1.00 0.00 ATOM 704 CA TYR 90 -2.383 0.865 14.605 1.00 0.00 ATOM 705 CB TYR 90 -2.359 1.800 15.817 1.00 0.00 ATOM 706 CG TYR 90 -2.627 3.249 15.477 1.00 0.00 ATOM 707 CD1 TYR 90 -3.919 3.757 15.500 1.00 0.00 ATOM 708 CD2 TYR 90 -1.587 4.104 15.136 1.00 0.00 ATOM 709 CE1 TYR 90 -4.174 5.081 15.194 1.00 0.00 ATOM 710 CE2 TYR 90 -1.822 5.429 14.826 1.00 0.00 ATOM 711 CZ TYR 90 -3.129 5.914 14.856 1.00 0.00 ATOM 712 OH TYR 90 -3.379 7.232 14.549 1.00 0.00 ATOM 713 O TYR 90 -2.723 -1.225 15.728 1.00 0.00 ATOM 714 C TYR 90 -1.968 -0.536 15.044 1.00 0.00 ATOM 715 N LEU 91 -0.751 -0.938 14.680 1.00 0.00 ATOM 716 CA LEU 91 -0.238 -2.257 15.042 1.00 0.00 ATOM 717 CB LEU 91 -0.177 -3.165 13.810 1.00 0.00 ATOM 718 CG LEU 91 -1.509 -3.450 13.113 1.00 0.00 ATOM 719 CD1 LEU 91 -1.282 -4.213 11.816 1.00 0.00 ATOM 720 CD2 LEU 91 -2.415 -4.284 14.005 1.00 0.00 ATOM 721 O LEU 91 1.936 -1.275 15.269 1.00 0.00 ATOM 722 C LEU 91 1.168 -2.171 15.621 1.00 0.00 ATOM 723 N ARG 92 1.543 -3.164 16.427 1.00 0.00 ATOM 724 CA ARG 92 2.870 -3.189 17.030 1.00 0.00 ATOM 725 CB ARG 92 2.869 -4.062 18.285 1.00 0.00 ATOM 726 CG ARG 92 4.190 -4.071 19.038 1.00 0.00 ATOM 727 CD ARG 92 4.123 -4.970 20.261 1.00 0.00 ATOM 728 NE ARG 92 3.187 -4.461 21.263 1.00 0.00 ATOM 729 CZ ARG 92 3.480 -3.512 22.144 1.00 0.00 ATOM 730 NH1 ARG 92 2.566 -3.115 23.020 1.00 0.00 ATOM 731 NH2 ARG 92 4.688 -2.964 22.152 1.00 0.00 ATOM 732 O ARG 92 3.659 -4.865 15.511 1.00 0.00 ATOM 733 C ARG 92 3.852 -3.758 16.010 1.00 0.00 ATOM 734 N ARG 93 4.930 -3.025 15.750 1.00 0.00 ATOM 735 CA ARG 93 5.938 -3.451 14.786 1.00 0.00 ATOM 736 CB ARG 93 6.973 -2.344 14.569 1.00 0.00 ATOM 737 CG ARG 93 7.950 -2.624 13.439 1.00 0.00 ATOM 738 CD ARG 93 7.226 -2.794 12.112 1.00 0.00 ATOM 739 NE ARG 93 6.453 -1.608 11.753 1.00 0.00 ATOM 740 CZ ARG 93 6.968 -0.529 11.172 1.00 0.00 ATOM 741 NH1 ARG 93 6.187 0.504 10.882 1.00 0.00 ATOM 742 NH2 ARG 93 8.260 -0.484 10.881 1.00 0.00 ATOM 743 O ARG 93 7.330 -5.350 14.382 1.00 0.00 ATOM 744 C ARG 93 6.718 -4.687 15.215 1.00 0.00 ATOM 745 N GLN 94 6.813 -4.917 16.522 1.00 0.00 ATOM 746 CA GLN 94 7.521 -6.084 17.030 1.00 0.00 ATOM 747 CB GLN 94 7.679 -6.088 18.531 1.00 0.00 ATOM 748 CG GLN 94 8.131 -7.405 19.091 1.00 0.00 ATOM 749 CD GLN 94 8.441 -7.242 20.581 1.00 0.00 ATOM 750 OE1 GLN 94 8.119 -6.186 21.158 1.00 0.00 ATOM 751 NE2 GLN 94 9.125 -8.220 21.184 1.00 0.00 ATOM 752 O GLN 94 7.640 -8.195 15.906 1.00 0.00 ATOM 753 C GLN 94 6.921 -7.364 16.454 1.00 0.00 ATOM 754 N ASP 95 5.494 -7.410 16.540 1.00 0.00 ATOM 755 CA ASP 95 4.747 -8.548 16.009 1.00 0.00 ATOM 756 CB ASP 95 3.309 -8.535 16.532 1.00 0.00 ATOM 757 CG ASP 95 3.218 -8.918 17.996 1.00 0.00 ATOM 758 OD1 ASP 95 4.221 -9.428 18.539 1.00 0.00 ATOM 759 OD2 ASP 95 2.145 -8.708 18.600 1.00 0.00 ATOM 760 O ASP 95 4.868 -9.553 13.835 1.00 0.00 ATOM 761 C ASP 95 4.683 -8.522 14.479 1.00 0.00 ATOM 762 N LEU 96 4.475 -7.346 13.895 1.00 0.00 ATOM 763 CA LEU 96 4.436 -7.248 12.440 1.00 0.00 ATOM 764 CB LEU 96 4.177 -5.804 12.006 1.00 0.00 ATOM 765 CG LEU 96 2.779 -5.252 12.289 1.00 0.00 ATOM 766 CD1 LEU 96 2.715 -3.764 11.977 1.00 0.00 ATOM 767 CD2 LEU 96 1.738 -5.962 11.437 1.00 0.00 ATOM 768 O LEU 96 5.782 -8.429 10.835 1.00 0.00 ATOM 769 C LEU 96 5.767 -7.735 11.856 1.00 0.00 ATOM 770 N PRO 97 6.880 -7.379 12.494 1.00 0.00 ATOM 771 CA PRO 97 8.176 -7.828 12.010 1.00 0.00 ATOM 772 CB PRO 97 9.175 -7.197 12.945 1.00 0.00 ATOM 773 CG PRO 97 8.503 -5.914 13.311 1.00 0.00 ATOM 774 CD PRO 97 7.080 -6.370 13.582 1.00 0.00 ATOM 775 O PRO 97 8.879 -9.925 11.156 1.00 0.00 ATOM 776 C PRO 97 8.249 -9.336 12.061 1.00 0.00 ATOM 777 N GLU 98 7.635 -9.982 13.053 1.00 0.00 ATOM 778 CA GLU 98 7.602 -11.446 13.106 1.00 0.00 ATOM 779 CB GLU 98 6.946 -11.896 14.413 1.00 0.00 ATOM 780 CG GLU 98 7.708 -11.486 15.664 1.00 0.00 ATOM 781 CD GLU 98 6.998 -11.896 16.939 1.00 0.00 ATOM 782 OE1 GLU 98 5.880 -12.443 16.846 1.00 0.00 ATOM 783 OE2 GLU 98 7.559 -11.667 18.030 1.00 0.00 ATOM 784 O GLU 98 7.275 -13.038 11.340 1.00 0.00 ATOM 785 C GLU 98 6.846 -12.036 11.924 1.00 0.00 ATOM 786 N ILE 99 5.745 -11.383 11.572 1.00 0.00 ATOM 787 CA ILE 99 4.914 -11.834 10.448 1.00 0.00 ATOM 788 CB ILE 99 3.582 -10.978 10.420 1.00 0.00 ATOM 789 CG1 ILE 99 2.791 -11.192 11.709 1.00 0.00 ATOM 790 CG2 ILE 99 2.675 -11.371 9.242 1.00 0.00 ATOM 791 CD1 ILE 99 1.587 -10.253 11.849 1.00 0.00 ATOM 792 O ILE 99 5.549 -12.702 8.293 1.00 0.00 ATOM 793 C ILE 99 5.660 -11.780 9.110 1.00 0.00 ATOM 794 N THR 100 6.375 -10.550 8.920 1.00 0.00 ATOM 795 CA THR 100 7.096 -10.383 7.660 1.00 0.00 ATOM 796 CB THR 100 7.762 -8.997 7.585 1.00 0.00 ATOM 797 CG2 THR 100 6.712 -7.899 7.616 1.00 0.00 ATOM 798 OG1 THR 100 8.644 -8.828 8.701 1.00 0.00 ATOM 799 O THR 100 8.965 -11.325 6.474 1.00 0.00 ATOM 800 C THR 100 8.219 -11.406 7.454 1.00 0.00 ATOM 801 N ALA 101 8.360 -12.344 8.385 1.00 0.00 ATOM 802 CA ALA 101 9.430 -13.370 8.257 1.00 0.00 ATOM 803 CB ALA 101 9.554 -14.261 9.483 1.00 0.00 ATOM 804 O ALA 101 10.128 -14.417 6.229 1.00 0.00 ATOM 805 C ALA 101 9.225 -14.181 6.999 1.00 0.00 ATOM 806 N GLN 102 7.971 -14.496 6.719 1.00 0.00 ATOM 807 CA GLN 102 7.707 -15.244 5.520 1.00 0.00 ATOM 808 CB GLN 102 6.285 -15.789 5.528 1.00 0.00 ATOM 809 CG GLN 102 6.019 -16.559 4.236 1.00 0.00 ATOM 810 CD GLN 102 6.851 -17.840 4.145 1.00 0.00 ATOM 811 OE1 GLN 102 6.540 -18.811 4.828 1.00 0.00 ATOM 812 NE2 GLN 102 7.892 -17.858 3.313 1.00 0.00 ATOM 813 O GLN 102 8.472 -14.918 3.241 1.00 0.00 ATOM 814 C GLN 102 7.930 -14.434 4.243 1.00 0.00 ATOM 815 N ARG 103 7.525 -13.156 4.272 1.00 0.00 ATOM 816 CA ARG 103 7.743 -12.371 3.088 1.00 0.00 ATOM 817 CB ARG 103 7.113 -10.967 3.165 1.00 0.00 ATOM 818 CG ARG 103 5.708 -10.858 2.612 1.00 0.00 ATOM 819 CD ARG 103 4.670 -11.348 3.572 1.00 0.00 ATOM 820 NE ARG 103 4.589 -10.464 4.726 1.00 0.00 ATOM 821 CZ ARG 103 3.744 -10.644 5.733 1.00 0.00 ATOM 822 NH1 ARG 103 2.908 -11.677 5.738 1.00 0.00 ATOM 823 NH2 ARG 103 3.705 -9.770 6.723 1.00 0.00 ATOM 824 O ARG 103 9.661 -12.288 1.689 1.00 0.00 ATOM 825 C ARG 103 9.244 -12.223 2.843 1.00 0.00 ATOM 826 N GLN 104 10.032 -11.980 3.908 1.00 0.00 ATOM 827 CA GLN 104 11.475 -11.817 3.751 1.00 0.00 ATOM 828 CB GLN 104 12.105 -11.463 5.107 1.00 0.00 ATOM 829 CG GLN 104 13.619 -11.298 5.077 1.00 0.00 ATOM 830 CD GLN 104 14.053 -10.183 4.156 1.00 0.00 ATOM 831 OE1 GLN 104 14.215 -10.373 2.939 1.00 0.00 ATOM 832 NE2 GLN 104 14.226 -9.008 4.718 1.00 0.00 ATOM 833 O GLN 104 12.984 -13.039 2.332 1.00 0.00 ATOM 834 C GLN 104 12.110 -13.085 3.204 1.00 0.00 ATOM 835 N LEU 105 11.670 -14.269 3.701 1.00 0.00 ATOM 836 CA LEU 105 12.234 -15.516 3.252 1.00 0.00 ATOM 837 CB LEU 105 11.747 -16.681 4.123 1.00 0.00 ATOM 838 CG LEU 105 12.147 -16.591 5.577 1.00 0.00 ATOM 839 CD1 LEU 105 11.625 -17.788 6.339 1.00 0.00 ATOM 840 CD2 LEU 105 13.660 -16.501 5.635 1.00 0.00 ATOM 841 O LEU 105 12.641 -16.335 1.054 1.00 0.00 ATOM 842 C LEU 105 11.874 -15.735 1.806 1.00 0.00 ATOM 843 N ARG 106 10.690 -15.274 1.427 1.00 0.00 ATOM 844 CA ARG 106 10.226 -15.410 0.031 1.00 0.00 ATOM 845 CB ARG 106 9.205 -16.536 -0.083 1.00 0.00 ATOM 846 CG ARG 106 9.740 -17.875 0.400 1.00 0.00 ATOM 847 CD ARG 106 10.747 -18.448 -0.583 1.00 0.00 ATOM 848 NE ARG 106 11.269 -19.744 -0.149 1.00 0.00 ATOM 849 CZ ARG 106 12.450 -19.934 0.431 1.00 0.00 ATOM 850 NH1 ARG 106 13.262 -18.930 0.692 1.00 0.00 ATOM 851 NH2 ARG 106 12.845 -21.164 0.736 1.00 0.00 ATOM 852 O ARG 106 8.901 -13.453 0.237 1.00 0.00 ATOM 853 C ARG 106 9.662 -14.095 -0.475 1.00 0.00 TER END