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 4 Wed Jul 12 20:53:07 2006 MODEL 4 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 0.076 13.911 19.754 1.00 0.00 ATOM 2 CA MET 1 0.758 12.675 20.246 1.00 0.00 ATOM 3 CB MET 1 0.207 11.520 19.413 1.00 0.00 ATOM 4 CG MET 1 0.727 10.159 19.730 1.00 0.00 ATOM 5 SD MET 1 0.121 8.958 18.549 1.00 0.00 ATOM 6 CE MET 1 1.539 8.655 17.490 1.00 0.00 ATOM 7 O MET 1 2.770 13.590 19.303 1.00 0.00 ATOM 8 C MET 1 2.264 12.908 20.199 1.00 0.00 ATOM 9 N SER 2 2.971 12.387 21.195 1.00 0.00 ATOM 10 CA SER 2 4.418 12.542 21.268 1.00 0.00 ATOM 11 CB SER 2 4.851 13.339 22.501 1.00 0.00 ATOM 12 OG SER 2 4.361 14.668 22.448 1.00 0.00 ATOM 13 O SER 2 4.355 10.178 21.619 1.00 0.00 ATOM 14 C SER 2 5.010 11.153 21.249 1.00 0.00 ATOM 15 N ILE 3 6.332 11.108 20.819 1.00 0.00 ATOM 16 CA ILE 3 7.043 9.838 20.822 1.00 0.00 ATOM 17 CB ILE 3 7.505 9.413 19.415 1.00 0.00 ATOM 18 CG1 ILE 3 6.298 9.212 18.495 1.00 0.00 ATOM 19 CG2 ILE 3 8.283 8.109 19.482 1.00 0.00 ATOM 20 CD1 ILE 3 6.665 9.019 17.041 1.00 0.00 ATOM 21 O ILE 3 8.930 11.028 21.603 1.00 0.00 ATOM 22 C ILE 3 8.249 10.025 21.712 1.00 0.00 ATOM 23 N THR 4 8.469 9.105 22.639 1.00 0.00 ATOM 24 CA THR 4 9.698 9.082 23.405 1.00 0.00 ATOM 25 CB THR 4 9.587 8.146 24.623 1.00 0.00 ATOM 26 CG2 THR 4 8.443 8.583 25.528 1.00 0.00 ATOM 27 OG1 THR 4 9.341 6.806 24.182 1.00 0.00 ATOM 28 O THR 4 10.595 8.178 21.375 1.00 0.00 ATOM 29 C THR 4 10.840 8.632 22.490 1.00 0.00 ATOM 30 N SER 5 12.106 8.807 22.861 1.00 0.00 ATOM 31 CA SER 5 13.250 8.404 22.041 1.00 0.00 ATOM 32 CB SER 5 14.546 8.628 22.825 1.00 0.00 ATOM 33 OG SER 5 15.672 8.400 21.991 1.00 0.00 ATOM 34 O SER 5 13.513 6.528 20.595 1.00 0.00 ATOM 35 C SER 5 13.258 6.920 21.721 1.00 0.00 ATOM 36 N THR 6 12.901 6.099 22.687 1.00 0.00 ATOM 37 CA THR 6 12.975 4.669 22.532 1.00 0.00 ATOM 38 CB THR 6 12.697 3.940 23.859 1.00 0.00 ATOM 39 CG2 THR 6 12.727 2.433 23.654 1.00 0.00 ATOM 40 OG1 THR 6 13.692 4.299 24.824 1.00 0.00 ATOM 41 O THR 6 12.293 3.429 20.585 1.00 0.00 ATOM 42 C THR 6 11.959 4.187 21.493 1.00 0.00 ATOM 43 N ASP 7 10.736 4.670 21.590 1.00 0.00 ATOM 44 CA ASP 7 9.694 4.308 20.622 1.00 0.00 ATOM 45 CB ASP 7 8.342 4.881 21.054 1.00 0.00 ATOM 46 CG ASP 7 7.762 4.165 22.257 1.00 0.00 ATOM 47 OD1 ASP 7 8.273 3.079 22.606 1.00 0.00 ATOM 48 OD2 ASP 7 6.796 4.686 22.852 1.00 0.00 ATOM 49 O ASP 7 9.841 4.147 18.225 1.00 0.00 ATOM 50 C ASP 7 10.055 4.829 19.219 1.00 0.00 ATOM 51 N ILE 8 10.555 6.070 19.143 1.00 0.00 ATOM 52 CA ILE 8 10.918 6.631 17.851 1.00 0.00 ATOM 53 CB ILE 8 11.443 8.063 17.933 1.00 0.00 ATOM 54 CG1 ILE 8 10.280 9.013 18.279 1.00 0.00 ATOM 55 CG2 ILE 8 12.140 8.465 16.627 1.00 0.00 ATOM 56 CD1 ILE 8 10.741 10.437 18.717 1.00 0.00 ATOM 57 O ILE 8 11.958 5.468 15.997 1.00 0.00 ATOM 58 C ILE 8 11.997 5.746 17.205 1.00 0.00 ATOM 59 N CYS 9 12.935 5.317 18.007 1.00 0.00 ATOM 60 CA CYS 9 14.009 4.455 17.553 1.00 0.00 ATOM 61 CB CYS 9 15.019 4.209 18.657 1.00 0.00 ATOM 62 SG CYS 9 16.071 5.626 19.041 1.00 0.00 ATOM 63 O CYS 9 13.918 2.554 16.059 1.00 0.00 ATOM 64 C CYS 9 13.463 3.097 17.075 1.00 0.00 ATOM 65 N GLN 10 12.530 2.520 17.822 1.00 0.00 ATOM 66 CA GLN 10 11.988 1.190 17.469 1.00 0.00 ATOM 67 CB GLN 10 11.094 0.686 18.651 1.00 0.00 ATOM 68 CG GLN 10 11.829 0.244 19.879 1.00 0.00 ATOM 69 CD GLN 10 12.756 -0.887 19.591 1.00 0.00 ATOM 70 OE1 GLN 10 12.374 -1.830 18.875 1.00 0.00 ATOM 71 NE2 GLN 10 13.988 -0.781 20.064 1.00 0.00 ATOM 72 O GLN 10 11.408 0.407 15.270 1.00 0.00 ATOM 73 C GLN 10 11.268 1.276 16.126 1.00 0.00 ATOM 74 N ALA 11 10.573 2.373 15.936 1.00 0.00 ATOM 75 CA ALA 11 9.794 2.547 14.717 1.00 0.00 ATOM 76 CB ALA 11 8.847 3.689 14.878 1.00 0.00 ATOM 77 O ALA 11 10.426 2.165 12.453 1.00 0.00 ATOM 78 C ALA 11 10.720 2.708 13.509 1.00 0.00 ATOM 79 N ALA 12 11.820 3.451 13.637 1.00 0.00 ATOM 80 CA ALA 12 12.768 3.599 12.534 1.00 0.00 ATOM 81 CB ALA 12 13.925 4.493 12.947 1.00 0.00 ATOM 82 O ALA 12 13.472 1.895 10.985 1.00 0.00 ATOM 83 C ALA 12 13.348 2.225 12.164 1.00 0.00 ATOM 84 N ASP 13 13.643 1.440 13.165 1.00 0.00 ATOM 85 CA ASP 13 14.186 0.108 12.913 1.00 0.00 ATOM 86 CB ASP 13 14.504 -0.594 14.235 1.00 0.00 ATOM 87 CG ASP 13 15.738 -0.030 14.911 1.00 0.00 ATOM 88 OD1 ASP 13 16.481 0.729 14.254 1.00 0.00 ATOM 89 OD2 ASP 13 15.963 -0.350 16.096 1.00 0.00 ATOM 90 O ASP 13 13.441 -1.269 11.072 1.00 0.00 ATOM 91 C ASP 13 13.160 -0.735 12.156 1.00 0.00 ATOM 92 N ALA 14 11.922 -0.717 12.639 1.00 0.00 ATOM 93 CA ALA 14 10.856 -1.493 12.024 1.00 0.00 ATOM 94 CB ALA 14 9.557 -1.339 12.797 1.00 0.00 ATOM 95 O ALA 14 9.945 -1.758 9.829 1.00 0.00 ATOM 96 C ALA 14 10.503 -1.006 10.628 1.00 0.00 ATOM 97 N LEU 15 10.739 0.242 10.337 1.00 0.00 ATOM 98 CA LEU 15 10.393 0.797 9.038 1.00 0.00 ATOM 99 CB LEU 15 9.845 2.216 9.205 1.00 0.00 ATOM 100 CG LEU 15 8.587 2.359 10.064 1.00 0.00 ATOM 101 CD1 LEU 15 8.208 3.822 10.223 1.00 0.00 ATOM 102 CD2 LEU 15 7.414 1.631 9.425 1.00 0.00 ATOM 103 O LEU 15 11.422 1.451 6.974 1.00 0.00 ATOM 104 C LEU 15 11.527 0.802 8.009 1.00 0.00 ATOM 105 N LYS 16 12.701 0.328 8.380 1.00 0.00 ATOM 106 CA LYS 16 13.790 0.166 7.387 1.00 0.00 ATOM 107 CB LYS 16 15.007 -0.518 8.013 1.00 0.00 ATOM 108 CG LYS 16 15.704 0.312 9.079 1.00 0.00 ATOM 109 CD LYS 16 16.897 -0.428 9.662 1.00 0.00 ATOM 110 CE LYS 16 17.592 0.399 10.730 1.00 0.00 ATOM 111 NZ LYS 16 18.744 -0.328 11.333 1.00 0.00 ATOM 112 O LYS 16 13.688 -0.348 4.995 1.00 0.00 ATOM 113 C LYS 16 13.347 -0.650 6.147 1.00 0.00 ATOM 114 N GLY 17 12.513 -1.645 6.383 1.00 0.00 ATOM 115 CA GLY 17 12.045 -2.464 5.305 1.00 0.00 ATOM 116 O GLY 17 11.275 -1.737 3.118 1.00 0.00 ATOM 117 C GLY 17 11.181 -1.606 4.350 1.00 0.00 ATOM 118 N PHE 18 10.367 -0.711 4.916 1.00 0.00 ATOM 119 CA PHE 18 9.531 0.172 4.114 1.00 0.00 ATOM 120 CB PHE 18 8.521 0.906 4.997 1.00 0.00 ATOM 121 CG PHE 18 7.352 0.059 5.414 1.00 0.00 ATOM 122 CD1 PHE 18 7.303 -0.503 6.678 1.00 0.00 ATOM 123 CD2 PHE 18 6.303 -0.174 4.543 1.00 0.00 ATOM 124 CE1 PHE 18 6.228 -1.283 7.060 1.00 0.00 ATOM 125 CE2 PHE 18 5.229 -0.954 4.927 1.00 0.00 ATOM 126 CZ PHE 18 5.188 -1.508 6.179 1.00 0.00 ATOM 127 O PHE 18 10.150 1.597 2.273 1.00 0.00 ATOM 128 C PHE 18 10.434 1.204 3.418 1.00 0.00 ATOM 129 N VAL 19 11.454 1.728 4.108 1.00 0.00 ATOM 130 CA VAL 19 12.310 2.721 3.450 1.00 0.00 ATOM 131 CB VAL 19 13.402 3.243 4.402 1.00 0.00 ATOM 132 CG1 VAL 19 14.395 4.111 3.646 1.00 0.00 ATOM 133 CG2 VAL 19 12.783 4.078 5.513 1.00 0.00 ATOM 134 O VAL 19 13.164 2.720 1.158 1.00 0.00 ATOM 135 C VAL 19 13.017 2.095 2.223 1.00 0.00 ATOM 136 N GLY 20 13.507 0.872 2.405 1.00 0.00 ATOM 137 CA GLY 20 14.211 0.161 1.341 1.00 0.00 ATOM 138 O GLY 20 13.588 0.239 -1.010 1.00 0.00 ATOM 139 C GLY 20 13.230 -0.020 0.148 1.00 0.00 ATOM 140 N PHE 21 12.009 -0.459 0.433 1.00 0.00 ATOM 141 CA PHE 21 11.018 -0.647 -0.618 1.00 0.00 ATOM 142 CB PHE 21 9.516 -0.556 0.141 1.00 0.00 ATOM 143 CG PHE 21 8.316 -1.056 -0.623 1.00 0.00 ATOM 144 CD1 PHE 21 8.046 -2.418 -0.701 1.00 0.00 ATOM 145 CD2 PHE 21 7.512 -0.172 -1.338 1.00 0.00 ATOM 146 CE1 PHE 21 6.994 -2.899 -1.488 1.00 0.00 ATOM 147 CE2 PHE 21 6.459 -0.637 -2.127 1.00 0.00 ATOM 148 CZ PHE 21 6.200 -2.004 -2.205 1.00 0.00 ATOM 149 O PHE 21 10.774 0.708 -2.650 1.00 0.00 ATOM 150 C PHE 21 10.716 0.655 -1.389 1.00 0.00 ATOM 151 N ASN 22 10.468 1.801 -0.642 1.00 0.00 ATOM 152 CA ASN 22 10.140 3.083 -1.283 1.00 0.00 ATOM 153 CB ASN 22 9.690 4.091 -0.302 1.00 0.00 ATOM 154 CG ASN 22 8.279 3.858 0.118 1.00 0.00 ATOM 155 ND2 ASN 22 8.101 3.262 1.290 1.00 0.00 ATOM 156 OD1 ASN 22 7.340 4.201 -0.603 1.00 0.00 ATOM 157 O ASN 22 11.166 4.278 -3.085 1.00 0.00 ATOM 158 C ASN 22 11.326 3.707 -2.006 1.00 0.00 ATOM 159 N ARG 23 12.501 3.585 -1.414 1.00 0.00 ATOM 160 CA ARG 23 13.705 4.128 -2.035 1.00 0.00 ATOM 161 CB ARG 23 14.917 3.950 -1.119 1.00 0.00 ATOM 162 CG ARG 23 16.202 4.550 -1.668 1.00 0.00 ATOM 163 CD ARG 23 17.334 4.445 -0.660 1.00 0.00 ATOM 164 NE ARG 23 18.578 5.016 -1.170 1.00 0.00 ATOM 165 CZ ARG 23 19.734 4.996 -0.515 1.00 0.00 ATOM 166 NH1 ARG 23 20.813 5.541 -1.058 1.00 0.00 ATOM 167 NH2 ARG 23 19.806 4.433 0.682 1.00 0.00 ATOM 168 O ARG 23 14.210 4.024 -4.390 1.00 0.00 ATOM 169 C ARG 23 13.974 3.393 -3.357 1.00 0.00 ATOM 170 N LYS 24 13.875 2.065 -3.353 1.00 0.00 ATOM 171 CA LYS 24 14.067 1.323 -4.587 1.00 0.00 ATOM 172 CB LYS 24 14.145 -0.165 -4.237 1.00 0.00 ATOM 173 CG LYS 24 15.357 -0.542 -3.400 1.00 0.00 ATOM 174 CD LYS 24 15.355 -2.024 -3.062 1.00 0.00 ATOM 175 CE LYS 24 16.584 -2.409 -2.255 1.00 0.00 ATOM 176 NZ LYS 24 16.587 -3.856 -1.905 1.00 0.00 ATOM 177 O LYS 24 13.174 1.330 -6.793 1.00 0.00 ATOM 178 C LYS 24 12.964 1.588 -5.614 1.00 0.00 ATOM 179 N THR 25 11.764 1.961 -5.166 1.00 0.00 ATOM 180 CA THR 25 10.651 2.191 -6.091 1.00 0.00 ATOM 181 CB THR 25 9.497 1.226 -5.763 1.00 0.00 ATOM 182 CG2 THR 25 8.412 1.311 -6.828 1.00 0.00 ATOM 183 OG1 THR 25 9.992 -0.117 -5.712 1.00 0.00 ATOM 184 O THR 25 9.473 3.894 -4.939 1.00 0.00 ATOM 185 C THR 25 10.192 3.609 -5.921 1.00 0.00 ATOM 186 N GLY 26 10.879 4.555 -6.600 1.00 0.00 ATOM 187 CA GLY 26 10.576 5.988 -6.532 1.00 0.00 ATOM 188 O GLY 26 8.580 7.243 -6.150 1.00 0.00 ATOM 189 C GLY 26 9.117 6.325 -6.773 1.00 0.00 ATOM 190 N ARG 27 8.494 5.677 -7.706 1.00 0.00 ATOM 191 CA ARG 27 7.086 5.920 -8.014 1.00 0.00 ATOM 192 CB ARG 27 6.868 4.820 -9.327 1.00 0.00 ATOM 193 CG ARG 27 8.084 3.970 -9.651 1.00 0.00 ATOM 194 CD ARG 27 7.639 2.550 -9.943 1.00 0.00 ATOM 195 NE ARG 27 8.715 1.710 -10.456 1.00 0.00 ATOM 196 CZ ARG 27 8.560 0.430 -10.775 1.00 0.00 ATOM 197 NH1 ARG 27 9.584 -0.273 -11.243 1.00 0.00 ATOM 198 NH2 ARG 27 7.375 -0.154 -10.621 1.00 0.00 ATOM 199 O ARG 27 4.898 6.080 -7.029 1.00 0.00 ATOM 200 C ARG 27 6.025 5.591 -6.962 1.00 0.00 ATOM 201 N TYR 28 6.442 4.700 -5.979 1.00 0.00 ATOM 202 CA TYR 28 5.503 4.293 -4.939 1.00 0.00 ATOM 203 CB TYR 28 6.078 3.112 -4.170 1.00 0.00 ATOM 204 CG TYR 28 5.236 2.451 -3.111 1.00 0.00 ATOM 205 CD1 TYR 28 4.210 1.552 -3.448 1.00 0.00 ATOM 206 CD2 TYR 28 5.438 2.701 -1.774 1.00 0.00 ATOM 207 CE1 TYR 28 3.440 0.925 -2.492 1.00 0.00 ATOM 208 CE2 TYR 28 4.680 2.072 -0.781 1.00 0.00 ATOM 209 CZ TYR 28 3.691 1.218 -1.188 1.00 0.00 ATOM 210 OH TYR 28 2.940 0.620 -0.170 1.00 0.00 ATOM 211 O TYR 28 6.048 6.189 -3.561 1.00 0.00 ATOM 212 C TYR 28 5.178 5.387 -3.913 1.00 0.00 ATOM 213 N ILE 29 3.945 5.372 -3.414 1.00 0.00 ATOM 214 CA ILE 29 3.577 6.415 -2.437 1.00 0.00 ATOM 215 CB ILE 29 2.611 7.442 -3.057 1.00 0.00 ATOM 216 CG1 ILE 29 3.290 8.184 -4.211 1.00 0.00 ATOM 217 CG2 ILE 29 2.177 8.460 -2.016 1.00 0.00 ATOM 218 CD1 ILE 29 2.346 9.046 -5.021 1.00 0.00 ATOM 219 O ILE 29 2.288 4.708 -1.312 1.00 0.00 ATOM 220 C ILE 29 2.912 5.771 -1.206 1.00 0.00 ATOM 221 N VAL 30 3.339 6.313 -0.021 1.00 0.00 ATOM 222 CA VAL 30 2.837 5.791 1.247 1.00 0.00 ATOM 223 CB VAL 30 3.962 5.332 2.198 1.00 0.00 ATOM 224 CG1 VAL 30 3.365 4.928 3.590 1.00 0.00 ATOM 225 CG2 VAL 30 4.677 4.136 1.574 1.00 0.00 ATOM 226 O VAL 30 2.565 8.048 1.984 1.00 0.00 ATOM 227 C VAL 30 2.155 6.886 2.022 1.00 0.00 ATOM 228 N ARG 31 1.140 6.514 2.769 1.00 0.00 ATOM 229 CA ARG 31 0.416 7.460 3.611 1.00 0.00 ATOM 230 CB ARG 31 -1.050 7.434 3.276 1.00 0.00 ATOM 231 CG ARG 31 -1.314 8.160 1.971 1.00 0.00 ATOM 232 CD ARG 31 -2.721 8.087 1.472 1.00 0.00 ATOM 233 NE ARG 31 -2.910 9.054 0.393 1.00 0.00 ATOM 234 CZ ARG 31 -4.069 9.606 0.053 1.00 0.00 ATOM 235 NH1 ARG 31 -5.189 9.299 0.691 1.00 0.00 ATOM 236 NH2 ARG 31 -4.095 10.490 -0.935 1.00 0.00 ATOM 237 O ARG 31 0.897 5.810 5.199 1.00 0.00 ATOM 238 C ARG 31 0.571 6.972 5.043 1.00 0.00 ATOM 239 N PHE 32 0.948 7.869 5.941 1.00 0.00 ATOM 240 CA PHE 32 1.074 7.497 7.340 1.00 0.00 ATOM 241 CB PHE 32 2.347 8.098 7.937 1.00 0.00 ATOM 242 CG PHE 32 3.613 7.527 7.368 1.00 0.00 ATOM 243 CD1 PHE 32 4.225 8.116 6.276 1.00 0.00 ATOM 244 CD2 PHE 32 4.193 6.400 7.925 1.00 0.00 ATOM 245 CE1 PHE 32 5.392 7.590 5.750 1.00 0.00 ATOM 246 CE2 PHE 32 5.359 5.874 7.399 1.00 0.00 ATOM 247 CZ PHE 32 5.958 6.464 6.319 1.00 0.00 ATOM 248 O PHE 32 -0.435 9.253 7.998 1.00 0.00 ATOM 249 C PHE 32 -0.166 8.060 8.042 1.00 0.00 ATOM 250 N SER 33 -0.940 7.174 8.638 1.00 0.00 ATOM 251 CA SER 33 -2.168 7.567 9.320 1.00 0.00 ATOM 252 CB SER 33 -3.298 6.598 8.967 1.00 0.00 ATOM 253 OG SER 33 -4.484 6.920 9.672 1.00 0.00 ATOM 254 O SER 33 -1.559 6.459 11.397 1.00 0.00 ATOM 255 C SER 33 -1.896 7.532 10.848 1.00 0.00 ATOM 256 N GLU 34 -1.929 8.723 11.572 1.00 0.00 ATOM 257 CA GLU 34 -1.673 8.784 13.010 1.00 0.00 ATOM 258 CB GLU 34 -0.906 10.048 13.379 1.00 0.00 ATOM 259 CG GLU 34 -0.536 10.100 14.866 1.00 0.00 ATOM 260 CD GLU 34 0.261 11.339 15.248 1.00 0.00 ATOM 261 OE1 GLU 34 1.011 11.853 14.392 1.00 0.00 ATOM 262 OE2 GLU 34 0.155 11.790 16.411 1.00 0.00 ATOM 263 O GLU 34 -3.848 9.691 13.577 1.00 0.00 ATOM 264 C GLU 34 -2.946 8.863 13.855 1.00 0.00 ATOM 265 N ASP 35 -2.901 8.246 15.045 1.00 0.00 ATOM 266 CA ASP 35 -4.069 8.191 15.928 1.00 0.00 ATOM 267 CB ASP 35 -4.832 6.880 15.729 1.00 0.00 ATOM 268 CG ASP 35 -5.530 6.811 14.384 1.00 0.00 ATOM 269 OD1 ASP 35 -6.496 7.573 14.175 1.00 0.00 ATOM 270 OD2 ASP 35 -5.109 5.993 13.540 1.00 0.00 ATOM 271 O ASP 35 -2.560 7.823 17.768 1.00 0.00 ATOM 272 C ASP 35 -3.645 8.277 17.392 1.00 0.00 ATOM 273 N SER 36 -4.601 8.674 18.214 1.00 0.00 ATOM 274 CA SER 36 -4.388 8.640 19.664 1.00 0.00 ATOM 275 CB SER 36 -4.318 10.040 20.240 1.00 0.00 ATOM 276 OG SER 36 -3.927 9.970 21.599 1.00 0.00 ATOM 277 O SER 36 -6.716 8.119 19.917 1.00 0.00 ATOM 278 C SER 36 -5.585 8.075 20.414 1.00 0.00 ATOM 279 N PHE 37 -5.373 7.516 21.690 1.00 0.00 ATOM 280 CA PHE 37 -6.528 6.967 22.409 1.00 0.00 ATOM 281 CB PHE 37 -6.074 6.133 23.609 1.00 0.00 ATOM 282 CG PHE 37 -5.132 6.854 24.528 1.00 0.00 ATOM 283 CD1 PHE 37 -5.615 7.659 25.546 1.00 0.00 ATOM 284 CD2 PHE 37 -3.762 6.728 24.376 1.00 0.00 ATOM 285 CE1 PHE 37 -4.746 8.325 26.391 1.00 0.00 ATOM 286 CE2 PHE 37 -2.895 7.393 25.222 1.00 0.00 ATOM 287 CZ PHE 37 -3.382 8.188 26.226 1.00 0.00 ATOM 288 O PHE 37 -7.075 9.310 22.639 1.00 0.00 ATOM 289 C PHE 37 -7.412 8.145 22.903 1.00 0.00 ATOM 290 N GLY 38 -8.585 7.860 23.488 1.00 0.00 ATOM 291 CA GLY 38 -9.519 8.960 23.791 1.00 0.00 ATOM 292 O GLY 38 -9.782 11.110 24.809 1.00 0.00 ATOM 293 C GLY 38 -9.163 10.048 24.793 1.00 0.00 ATOM 294 N MET 39 -8.127 9.682 25.665 1.00 0.00 ATOM 295 CA MET 39 -7.717 10.641 26.688 1.00 0.00 ATOM 296 CB MET 39 -6.747 10.082 27.750 1.00 0.00 ATOM 297 CG MET 39 -7.554 9.043 28.650 1.00 0.00 ATOM 298 SD MET 39 -6.365 8.352 29.853 1.00 0.00 ATOM 299 CE MET 39 -5.950 9.831 30.730 1.00 0.00 ATOM 300 O MET 39 -7.348 12.992 26.777 1.00 0.00 ATOM 301 C MET 39 -7.242 11.958 26.136 1.00 0.00 ATOM 302 N ASP 40 -6.647 11.917 24.899 1.00 0.00 ATOM 303 CA ASP 40 -6.253 13.155 24.260 1.00 0.00 ATOM 304 CB ASP 40 -5.518 12.792 22.920 1.00 0.00 ATOM 305 CG ASP 40 -4.210 12.050 23.137 1.00 0.00 ATOM 306 OD1 ASP 40 -4.133 11.269 24.109 1.00 0.00 ATOM 307 OD2 ASP 40 -3.270 12.231 22.332 1.00 0.00 ATOM 308 O ASP 40 -7.213 15.356 24.206 1.00 0.00 ATOM 309 C ASP 40 -7.390 14.148 24.054 1.00 0.00 ATOM 310 N VAL 41 -8.559 13.630 23.696 1.00 0.00 ATOM 311 CA VAL 41 -9.724 14.480 23.489 1.00 0.00 ATOM 312 CB VAL 41 -10.882 13.682 22.858 1.00 0.00 ATOM 313 CG1 VAL 41 -12.150 14.520 22.836 1.00 0.00 ATOM 314 CG2 VAL 41 -10.502 13.266 21.440 1.00 0.00 ATOM 315 O VAL 41 -10.483 16.284 24.871 1.00 0.00 ATOM 316 C VAL 41 -10.133 15.104 24.818 1.00 0.00 ATOM 317 N ALA 42 -10.094 14.317 25.891 1.00 0.00 ATOM 318 CA ALA 42 -10.450 14.821 27.212 1.00 0.00 ATOM 319 CB ALA 42 -10.294 13.727 28.258 1.00 0.00 ATOM 320 O ALA 42 -10.010 17.053 27.984 1.00 0.00 ATOM 321 C ALA 42 -9.539 15.988 27.583 1.00 0.00 ATOM 322 N ASP 43 -8.236 15.827 27.325 1.00 0.00 ATOM 323 CA ASP 43 -7.281 16.872 27.638 1.00 0.00 ATOM 324 CB ASP 43 -6.077 16.293 28.385 1.00 0.00 ATOM 325 CG ASP 43 -5.187 17.367 28.976 1.00 0.00 ATOM 326 OD1 ASP 43 -5.680 18.158 29.807 1.00 0.00 ATOM 327 OD2 ASP 43 -3.993 17.419 28.607 1.00 0.00 ATOM 328 O ASP 43 -7.678 17.666 25.386 1.00 0.00 ATOM 329 C ASP 43 -6.851 17.474 26.285 1.00 0.00 ATOM 330 N ASP 44 -5.529 17.824 26.030 1.00 0.00 ATOM 331 CA ASP 44 -5.079 18.402 24.760 1.00 0.00 ATOM 332 CB ASP 44 -3.564 18.608 24.761 1.00 0.00 ATOM 333 CG ASP 44 -3.130 19.743 25.669 1.00 0.00 ATOM 334 OD1 ASP 44 -4.012 20.467 26.179 1.00 0.00 ATOM 335 OD2 ASP 44 -1.909 19.907 25.874 1.00 0.00 ATOM 336 O ASP 44 -4.975 16.320 23.572 1.00 0.00 ATOM 337 C ASP 44 -5.470 17.437 23.631 1.00 0.00 ATOM 338 N SER 45 -6.246 17.840 22.650 1.00 0.00 ATOM 339 CA SER 45 -6.661 17.002 21.540 1.00 0.00 ATOM 340 CB SER 45 -7.629 17.760 20.630 1.00 0.00 ATOM 341 OG SER 45 -8.798 18.142 21.336 1.00 0.00 ATOM 342 O SER 45 -4.331 17.152 20.900 1.00 0.00 ATOM 343 C SER 45 -5.416 16.598 20.731 1.00 0.00 ATOM 344 N ILE 46 -5.584 15.698 19.658 1.00 0.00 ATOM 345 CA ILE 46 -4.469 15.328 18.781 1.00 0.00 ATOM 346 CB ILE 46 -4.877 14.230 17.791 1.00 0.00 ATOM 347 CG1 ILE 46 -5.190 12.937 18.547 1.00 0.00 ATOM 348 CG2 ILE 46 -3.844 14.072 16.716 1.00 0.00 ATOM 349 CD1 ILE 46 -3.950 12.378 19.284 1.00 0.00 ATOM 350 O ILE 46 -2.685 16.705 17.943 1.00 0.00 ATOM 351 C ILE 46 -3.906 16.517 18.056 1.00 0.00 ATOM 352 N THR 47 -4.776 17.293 17.425 1.00 0.00 ATOM 353 CA THR 47 -4.296 18.425 16.636 1.00 0.00 ATOM 354 CB THR 47 -5.456 19.162 15.942 1.00 0.00 ATOM 355 CG2 THR 47 -4.934 20.348 15.146 1.00 0.00 ATOM 356 OG1 THR 47 -6.127 18.265 15.049 1.00 0.00 ATOM 357 O THR 47 -2.317 19.528 17.409 1.00 0.00 ATOM 358 C THR 47 -3.524 19.366 17.575 1.00 0.00 ATOM 359 N PRO 48 -4.160 19.723 18.668 1.00 0.00 ATOM 360 CA PRO 48 -3.410 20.615 19.562 1.00 0.00 ATOM 361 CB PRO 48 -4.494 21.052 20.617 1.00 0.00 ATOM 362 CG PRO 48 -5.781 20.912 19.834 1.00 0.00 ATOM 363 CD PRO 48 -5.588 19.673 18.965 1.00 0.00 ATOM 364 O PRO 48 -1.366 20.896 20.716 1.00 0.00 ATOM 365 C PRO 48 -2.148 20.084 20.232 1.00 0.00 ATOM 366 N THR 49 -2.159 18.693 20.382 1.00 0.00 ATOM 367 CA THR 49 -1.033 18.087 21.089 1.00 0.00 ATOM 368 CB THR 49 -1.281 16.653 21.513 1.00 0.00 ATOM 369 CG2 THR 49 -2.346 16.659 22.576 1.00 0.00 ATOM 370 OG1 THR 49 -1.669 15.869 20.432 1.00 0.00 ATOM 371 O THR 49 1.285 17.719 20.683 1.00 0.00 ATOM 372 C THR 49 0.199 18.012 20.207 1.00 0.00 ATOM 373 N SER 50 0.039 18.222 18.911 1.00 0.00 ATOM 374 CA SER 50 1.121 18.115 17.937 1.00 0.00 ATOM 375 CB SER 50 2.356 18.917 18.348 1.00 0.00 ATOM 376 OG SER 50 2.063 20.318 18.408 1.00 0.00 ATOM 377 O SER 50 2.353 16.235 16.870 1.00 0.00 ATOM 378 C SER 50 1.548 16.671 17.695 1.00 0.00 ATOM 379 N GLU 51 0.709 17.616 15.785 1.00 0.00 ATOM 380 CA GLU 51 1.433 17.997 14.580 1.00 0.00 ATOM 381 CB GLU 51 1.446 19.501 14.392 1.00 0.00 ATOM 382 CG GLU 51 0.057 20.016 14.138 1.00 0.00 ATOM 383 CD GLU 51 -0.008 21.518 13.997 1.00 0.00 ATOM 384 OE1 GLU 51 0.992 22.202 14.309 1.00 0.00 ATOM 385 OE2 GLU 51 -1.078 22.013 13.578 1.00 0.00 ATOM 386 O GLU 51 3.419 16.991 13.602 1.00 0.00 ATOM 387 C GLU 51 2.850 17.462 14.627 1.00 0.00 ATOM 388 N PHE 52 3.562 17.406 15.786 1.00 0.00 ATOM 389 CA PHE 52 4.932 16.924 15.875 1.00 0.00 ATOM 390 CB PHE 52 5.463 17.255 17.291 1.00 0.00 ATOM 391 CG PHE 52 6.806 16.649 17.588 1.00 0.00 ATOM 392 CD1 PHE 52 7.980 17.277 17.170 1.00 0.00 ATOM 393 CD2 PHE 52 6.881 15.488 18.297 1.00 0.00 ATOM 394 CE1 PHE 52 9.237 16.677 17.419 1.00 0.00 ATOM 395 CE2 PHE 52 8.157 14.873 18.542 1.00 0.00 ATOM 396 CZ PHE 52 9.320 15.520 18.124 1.00 0.00 ATOM 397 O PHE 52 6.100 14.970 15.123 1.00 0.00 ATOM 398 C PHE 52 5.089 15.414 15.660 1.00 0.00 ATOM 399 N VAL 53 4.145 14.632 16.111 1.00 0.00 ATOM 400 CA VAL 53 4.259 13.172 16.014 1.00 0.00 ATOM 401 CB VAL 53 3.100 12.436 16.713 1.00 0.00 ATOM 402 CG1 VAL 53 3.139 10.949 16.387 1.00 0.00 ATOM 403 CG2 VAL 53 3.197 12.598 18.221 1.00 0.00 ATOM 404 O VAL 53 5.131 11.728 14.307 1.00 0.00 ATOM 405 C VAL 53 4.269 12.555 14.616 1.00 0.00 ATOM 406 N TRP 54 3.224 12.944 13.783 1.00 0.00 ATOM 407 CA TRP 54 3.137 12.379 12.443 1.00 0.00 ATOM 408 CB TRP 54 1.867 12.863 11.739 1.00 0.00 ATOM 409 CG TRP 54 1.890 14.322 11.400 1.00 0.00 ATOM 410 CD1 TRP 54 1.461 15.353 12.185 1.00 0.00 ATOM 411 CD2 TRP 54 2.366 14.914 10.186 1.00 0.00 ATOM 412 CE2 TRP 54 2.195 16.307 10.305 1.00 0.00 ATOM 413 CE3 TRP 54 2.921 14.402 9.008 1.00 0.00 ATOM 414 NE1 TRP 54 1.640 16.550 11.536 1.00 0.00 ATOM 415 CZ2 TRP 54 2.558 17.195 9.293 1.00 0.00 ATOM 416 CZ3 TRP 54 3.279 15.286 8.007 1.00 0.00 ATOM 417 CH2 TRP 54 3.099 16.664 8.152 1.00 0.00 ATOM 418 O TRP 54 5.020 12.002 10.911 1.00 0.00 ATOM 419 C TRP 54 4.380 12.824 11.640 1.00 0.00 ATOM 420 N SER 55 4.768 14.094 11.820 1.00 0.00 ATOM 421 CA SER 55 5.961 14.651 11.156 1.00 0.00 ATOM 422 CB SER 55 6.129 16.142 11.418 1.00 0.00 ATOM 423 OG SER 55 6.635 16.386 12.709 1.00 0.00 ATOM 424 O SER 55 8.122 13.686 10.749 1.00 0.00 ATOM 425 C SER 55 7.230 13.894 11.568 1.00 0.00 ATOM 426 N SER 56 7.326 13.479 12.895 1.00 0.00 ATOM 427 CA SER 56 8.505 12.768 13.402 1.00 0.00 ATOM 428 CB SER 56 8.392 12.394 14.829 1.00 0.00 ATOM 429 OG SER 56 8.489 13.579 15.592 1.00 0.00 ATOM 430 O SER 56 9.778 11.125 12.223 1.00 0.00 ATOM 431 C SER 56 8.676 11.455 12.650 1.00 0.00 ATOM 432 N VAL 57 7.583 10.727 12.488 1.00 0.00 ATOM 433 CA VAL 57 7.636 9.452 11.779 1.00 0.00 ATOM 434 CB VAL 57 6.285 8.718 11.832 1.00 0.00 ATOM 435 CG1 VAL 57 6.311 7.487 10.937 1.00 0.00 ATOM 436 CG2 VAL 57 5.974 8.273 13.252 1.00 0.00 ATOM 437 O VAL 57 8.798 8.906 9.745 1.00 0.00 ATOM 438 C VAL 57 8.021 9.674 10.310 1.00 0.00 ATOM 439 N ARG 58 7.433 10.679 9.683 1.00 0.00 ATOM 440 CA ARG 58 7.739 11.030 8.294 1.00 0.00 ATOM 441 CB ARG 58 6.922 12.238 7.831 1.00 0.00 ATOM 442 CG ARG 58 7.174 12.641 6.388 1.00 0.00 ATOM 443 CD ARG 58 6.249 13.769 5.959 1.00 0.00 ATOM 444 NE ARG 58 6.509 14.197 4.586 1.00 0.00 ATOM 445 CZ ARG 58 5.876 15.197 3.984 1.00 0.00 ATOM 446 NH1 ARG 58 6.177 15.517 2.733 1.00 0.00 ATOM 447 NH2 ARG 58 4.942 15.878 4.634 1.00 0.00 ATOM 448 O ARG 58 9.859 10.955 7.219 1.00 0.00 ATOM 449 C ARG 58 9.213 11.378 8.163 1.00 0.00 ATOM 450 N ASP 59 9.779 12.121 9.137 1.00 0.00 ATOM 451 CA ASP 59 11.182 12.524 9.086 1.00 0.00 ATOM 452 CB ASP 59 11.551 13.467 10.234 1.00 0.00 ATOM 453 CG ASP 59 11.020 14.872 10.028 1.00 0.00 ATOM 454 OD1 ASP 59 10.583 15.182 8.900 1.00 0.00 ATOM 455 OD2 ASP 59 11.041 15.662 10.995 1.00 0.00 ATOM 456 O ASP 59 13.308 11.518 8.615 1.00 0.00 ATOM 457 C ASP 59 12.209 11.402 9.176 1.00 0.00 ATOM 458 N ASP 60 11.895 10.339 9.920 1.00 0.00 ATOM 459 CA ASP 60 12.792 9.191 10.024 1.00 0.00 ATOM 460 CB ASP 60 12.158 8.105 10.896 1.00 0.00 ATOM 461 CG ASP 60 12.142 8.475 12.366 1.00 0.00 ATOM 462 OD1 ASP 60 12.825 9.450 12.742 1.00 0.00 ATOM 463 OD2 ASP 60 11.443 7.787 13.142 1.00 0.00 ATOM 464 O ASP 60 14.194 8.308 8.238 1.00 0.00 ATOM 465 C ASP 60 13.049 8.616 8.611 1.00 0.00 ATOM 466 N VAL 61 11.995 8.415 7.840 1.00 0.00 ATOM 467 CA VAL 61 12.140 7.895 6.479 1.00 0.00 ATOM 468 CB VAL 61 10.810 7.742 5.776 1.00 0.00 ATOM 469 CG1 VAL 61 11.001 7.634 4.264 1.00 0.00 ATOM 470 CG2 VAL 61 10.073 6.518 6.360 1.00 0.00 ATOM 471 O VAL 61 13.857 8.419 4.901 1.00 0.00 ATOM 472 C VAL 61 13.012 8.857 5.671 1.00 0.00 ATOM 473 N MET 62 12.777 10.182 5.827 1.00 0.00 ATOM 474 CA MET 62 13.564 11.204 5.123 1.00 0.00 ATOM 475 CB MET 62 13.016 12.610 5.368 1.00 0.00 ATOM 476 CG MET 62 11.660 12.868 4.727 1.00 0.00 ATOM 477 SD MET 62 11.038 14.527 5.061 1.00 0.00 ATOM 478 CE MET 62 12.182 15.518 4.102 1.00 0.00 ATOM 479 O MET 62 15.927 11.236 4.730 1.00 0.00 ATOM 480 C MET 62 15.033 11.140 5.566 1.00 0.00 ATOM 481 N ARG 63 15.260 10.937 6.862 1.00 0.00 ATOM 482 CA ARG 63 16.612 10.805 7.394 1.00 0.00 ATOM 483 CB ARG 63 16.493 11.083 8.951 1.00 0.00 ATOM 484 CG ARG 63 17.809 11.020 9.720 1.00 0.00 ATOM 485 CD ARG 63 17.621 11.508 11.149 1.00 0.00 ATOM 486 NE ARG 63 16.653 10.704 11.890 1.00 0.00 ATOM 487 CZ ARG 63 16.921 9.532 12.458 1.00 0.00 ATOM 488 NH1 ARG 63 18.137 9.014 12.379 1.00 0.00 ATOM 489 NH2 ARG 63 15.972 8.877 13.112 1.00 0.00 ATOM 490 O ARG 63 18.516 9.485 6.794 1.00 0.00 ATOM 491 C ARG 63 17.293 9.607 6.731 1.00 0.00 ATOM 492 N LEU 64 16.514 8.659 6.270 1.00 0.00 ATOM 493 CA LEU 64 17.139 7.492 5.646 1.00 0.00 ATOM 494 CB LEU 64 16.372 6.226 6.032 1.00 0.00 ATOM 495 CG LEU 64 16.290 5.914 7.528 1.00 0.00 ATOM 496 CD1 LEU 64 15.438 4.677 7.774 1.00 0.00 ATOM 497 CD2 LEU 64 17.676 5.656 8.100 1.00 0.00 ATOM 498 O LEU 64 17.266 6.543 3.425 1.00 0.00 ATOM 499 C LEU 64 17.173 7.576 4.111 1.00 0.00 ATOM 500 N GLY 65 17.052 8.809 3.595 1.00 0.00 ATOM 501 CA GLY 65 17.091 9.039 2.158 1.00 0.00 ATOM 502 O GLY 65 15.854 9.105 0.117 1.00 0.00 ATOM 503 C GLY 65 15.806 8.883 1.327 1.00 0.00 ATOM 504 N ARG 66 14.563 8.549 1.896 1.00 0.00 ATOM 505 CA ARG 66 13.313 8.442 1.127 1.00 0.00 ATOM 506 CB ARG 66 12.315 7.684 1.282 1.00 0.00 ATOM 507 CG ARG 66 11.028 8.230 0.643 1.00 0.00 ATOM 508 CD ARG 66 9.889 7.213 0.518 1.00 0.00 ATOM 509 NE ARG 66 9.473 6.730 1.838 1.00 0.00 ATOM 510 CZ ARG 66 9.812 5.553 2.342 1.00 0.00 ATOM 511 NH1 ARG 66 10.610 4.742 1.657 1.00 0.00 ATOM 512 NH2 ARG 66 9.391 5.211 3.551 1.00 0.00 ATOM 513 O ARG 66 13.113 10.791 1.474 1.00 0.00 ATOM 514 C ARG 66 12.923 9.863 0.721 1.00 0.00 ATOM 515 N GLU 67 12.493 10.062 -0.520 1.00 0.00 ATOM 516 CA GLU 67 12.075 11.384 -0.944 1.00 0.00 ATOM 517 CB GLU 67 11.804 11.404 -2.449 1.00 0.00 ATOM 518 CG GLU 67 13.049 11.252 -3.308 1.00 0.00 ATOM 519 CD GLU 67 12.744 11.292 -4.791 1.00 0.00 ATOM 520 OE1 GLU 67 11.548 11.342 -5.149 1.00 0.00 ATOM 521 OE2 GLU 67 13.698 11.273 -5.595 1.00 0.00 ATOM 522 O GLU 67 9.897 11.051 0.082 1.00 0.00 ATOM 523 C GLU 67 10.776 11.867 -0.225 1.00 0.00 ATOM 524 N GLN 68 10.683 13.168 0.071 1.00 0.00 ATOM 525 CA GLN 68 9.511 13.695 0.742 1.00 0.00 ATOM 526 CB GLN 68 9.683 15.189 1.028 1.00 0.00 ATOM 527 CG GLN 68 9.781 16.052 -0.219 1.00 0.00 ATOM 528 CD GLN 68 11.209 16.221 -0.698 1.00 0.00 ATOM 529 OE1 GLN 68 12.026 15.308 -0.581 1.00 0.00 ATOM 530 NE2 GLN 68 11.513 17.393 -1.244 1.00 0.00 ATOM 531 O GLN 68 7.152 13.483 0.380 1.00 0.00 ATOM 532 C GLN 68 8.277 13.520 -0.131 1.00 0.00 ATOM 533 N LEU 69 8.524 13.393 -1.498 1.00 0.00 ATOM 534 CA LEU 69 7.405 13.201 -2.421 1.00 0.00 ATOM 535 CB LEU 69 7.877 13.332 -3.870 1.00 0.00 ATOM 536 CG LEU 69 8.363 14.716 -4.303 1.00 0.00 ATOM 537 CD1 LEU 69 8.912 14.677 -5.720 1.00 0.00 ATOM 538 CD2 LEU 69 7.222 15.722 -4.264 1.00 0.00 ATOM 539 O LEU 69 5.564 11.704 -2.702 1.00 0.00 ATOM 540 C LEU 69 6.706 11.851 -2.270 1.00 0.00 ATOM 541 N GLN 70 7.421 10.856 -1.818 1.00 0.00 ATOM 542 CA GLN 70 6.860 9.518 -1.625 1.00 0.00 ATOM 543 CB GLN 70 7.950 8.456 -1.757 1.00 0.00 ATOM 544 CG GLN 70 8.611 8.429 -3.111 1.00 0.00 ATOM 545 CD GLN 70 9.404 7.163 -3.322 1.00 0.00 ATOM 546 OE1 GLN 70 8.847 6.113 -3.648 1.00 0.00 ATOM 547 NE2 GLN 70 10.707 7.246 -3.120 1.00 0.00 ATOM 548 O GLN 70 5.512 8.339 -0.069 1.00 0.00 ATOM 549 C GLN 70 6.096 9.382 -0.328 1.00 0.00 ATOM 550 N ILE 71 6.065 10.420 0.488 1.00 0.00 ATOM 551 CA ILE 71 5.404 10.288 1.780 1.00 0.00 ATOM 552 CB ILE 71 6.388 10.441 2.955 1.00 0.00 ATOM 553 CG1 ILE 71 7.501 9.397 2.862 1.00 0.00 ATOM 554 CG2 ILE 71 5.654 10.298 4.289 1.00 0.00 ATOM 555 CD1 ILE 71 8.642 9.646 3.822 1.00 0.00 ATOM 556 O ILE 71 4.657 12.540 2.091 1.00 0.00 ATOM 557 C ILE 71 4.355 11.347 2.071 1.00 0.00 ATOM 558 N LEU 72 3.077 10.908 2.411 1.00 0.00 ATOM 559 CA LEU 72 2.066 11.876 2.805 1.00 0.00 ATOM 560 CB LEU 72 0.912 11.860 1.803 1.00 0.00 ATOM 561 CG LEU 72 1.264 12.217 0.356 1.00 0.00 ATOM 562 CD1 LEU 72 0.071 11.994 -0.559 1.00 0.00 ATOM 563 CD2 LEU 72 1.682 13.676 0.249 1.00 0.00 ATOM 564 O LEU 72 1.722 10.319 4.595 1.00 0.00 ATOM 565 C LEU 72 1.593 11.487 4.195 1.00 0.00 ATOM 566 N LEU 73 1.020 12.428 4.937 1.00 0.00 ATOM 567 CA LEU 73 0.575 12.060 6.273 1.00 0.00 ATOM 568 CB LEU 73 1.277 12.043 7.380 1.00 0.00 ATOM 569 CG LEU 73 0.387 11.587 8.538 1.00 0.00 ATOM 570 CD1 LEU 73 1.210 10.746 9.524 1.00 0.00 ATOM 571 CD2 LEU 73 -0.264 12.790 9.200 1.00 0.00 ATOM 572 O LEU 73 -1.249 13.589 6.044 1.00 0.00 ATOM 573 C LEU 73 -0.837 12.533 6.540 1.00 0.00 ATOM 574 N GLU 74 -1.558 11.755 7.349 1.00 0.00 ATOM 575 CA GLU 74 -2.902 12.127 7.714 1.00 0.00 ATOM 576 CB GLU 74 -3.934 11.488 6.767 1.00 0.00 ATOM 577 CG GLU 74 -3.766 11.959 5.310 1.00 0.00 ATOM 578 CD GLU 74 -4.756 11.358 4.329 1.00 0.00 ATOM 579 OE1 GLU 74 -5.811 11.988 4.062 1.00 0.00 ATOM 580 OE2 GLU 74 -4.465 10.261 3.796 1.00 0.00 ATOM 581 O GLU 74 -2.411 10.927 9.737 1.00 0.00 ATOM 582 C GLU 74 -3.045 11.835 9.199 1.00 0.00 ATOM 583 N GLN 75 -3.928 12.662 9.900 1.00 0.00 ATOM 584 CA GLN 75 -4.196 12.506 11.319 1.00 0.00 ATOM 585 CB GLN 75 -3.483 13.598 12.167 1.00 0.00 ATOM 586 CG GLN 75 -4.180 14.960 11.978 1.00 0.00 ATOM 587 CD GLN 75 -3.347 16.141 12.439 1.00 0.00 ATOM 588 OE1 GLN 75 -2.291 15.962 13.045 1.00 0.00 ATOM 589 NE2 GLN 75 -3.820 17.350 12.152 1.00 0.00 ATOM 590 O GLN 75 -6.522 12.851 10.914 1.00 0.00 ATOM 591 C GLN 75 -5.666 12.112 11.416 1.00 0.00 ATOM 592 N ASN 76 -5.951 11.075 12.159 1.00 0.00 ATOM 593 CA ASN 76 -7.338 10.685 12.399 1.00 0.00 ATOM 594 CB ASN 76 -7.563 9.192 12.157 1.00 0.00 ATOM 595 CG ASN 76 -7.495 8.823 10.688 1.00 0.00 ATOM 596 ND2 ASN 76 -7.123 7.579 10.407 1.00 0.00 ATOM 597 OD1 ASN 76 -7.774 9.648 9.817 1.00 0.00 ATOM 598 O ASN 76 -8.782 10.623 14.332 1.00 0.00 ATOM 599 C ASN 76 -7.693 10.996 13.856 1.00 0.00 ATOM 600 N ILE 77 -6.722 11.670 14.591 1.00 0.00 ATOM 601 CA ILE 77 -6.937 11.978 15.994 1.00 0.00 ATOM 602 CB ILE 77 -8.019 13.059 16.178 1.00 0.00 ATOM 603 CG1 ILE 77 -7.577 14.371 15.527 1.00 0.00 ATOM 604 CG2 ILE 77 -8.267 13.315 17.657 1.00 0.00 ATOM 605 CD1 ILE 77 -8.659 15.429 15.492 1.00 0.00 ATOM 606 O ILE 77 -6.756 9.674 16.703 1.00 0.00 ATOM 607 C ILE 77 -7.377 10.755 16.791 1.00 0.00 ATOM 608 N ASN 78 -8.552 10.851 17.618 1.00 0.00 ATOM 609 CA ASN 78 -9.034 9.679 18.339 1.00 0.00 ATOM 610 CB ASN 78 -9.344 10.024 19.798 1.00 0.00 ATOM 611 CG ASN 78 -10.486 11.012 19.933 1.00 0.00 ATOM 612 ND2 ASN 78 -10.882 11.291 21.169 1.00 0.00 ATOM 613 OD1 ASN 78 -11.003 11.517 18.937 1.00 0.00 ATOM 614 O ASN 78 -10.856 8.164 18.038 1.00 0.00 ATOM 615 C ASN 78 -10.299 9.190 17.633 1.00 0.00 ATOM 616 N GLU 79 -10.511 9.658 16.394 1.00 0.00 ATOM 617 CA GLU 79 -11.717 9.303 15.625 1.00 0.00 ATOM 618 CB GLU 79 -11.919 10.288 14.471 1.00 0.00 ATOM 619 CG GLU 79 -12.224 11.709 14.914 1.00 0.00 ATOM 620 CD GLU 79 -12.395 12.660 13.745 1.00 0.00 ATOM 621 OE1 GLU 79 -12.325 12.197 12.588 1.00 0.00 ATOM 622 OE2 GLU 79 -12.601 13.867 13.989 1.00 0.00 ATOM 623 O GLU 79 -12.883 7.435 14.657 1.00 0.00 ATOM 624 C GLU 79 -11.795 7.899 14.991 1.00 0.00 ATOM 625 N ARG 80 -10.657 7.235 14.802 1.00 0.00 ATOM 626 CA ARG 80 -10.647 5.912 14.185 1.00 0.00 ATOM 627 CB ARG 80 -10.013 6.003 12.796 1.00 0.00 ATOM 628 CG ARG 80 -10.820 6.818 11.799 1.00 0.00 ATOM 629 CD ARG 80 -12.146 6.146 11.481 1.00 0.00 ATOM 630 NE ARG 80 -11.962 4.800 10.942 1.00 0.00 ATOM 631 CZ ARG 80 -11.781 4.531 9.653 1.00 0.00 ATOM 632 NH1 ARG 80 -11.623 3.275 9.253 1.00 0.00 ATOM 633 NH2 ARG 80 -11.758 5.516 8.766 1.00 0.00 ATOM 634 O ARG 80 -8.827 4.341 14.534 1.00 0.00 ATOM 635 C ARG 80 -9.860 4.892 14.984 1.00 0.00 ATOM 636 N LEU 81 -10.347 4.557 16.119 1.00 0.00 ATOM 637 CA LEU 81 -9.660 3.633 17.010 1.00 0.00 ATOM 638 CB LEU 81 -10.241 3.787 18.443 1.00 0.00 ATOM 639 CG LEU 81 -10.471 5.208 18.985 1.00 0.00 ATOM 640 CD1 LEU 81 -11.223 5.136 20.319 1.00 0.00 ATOM 641 CD2 LEU 81 -9.143 5.954 19.137 1.00 0.00 ATOM 642 O LEU 81 -10.587 1.559 16.393 1.00 0.00 ATOM 643 C LEU 81 -9.563 2.191 16.645 1.00 0.00 ATOM 644 N ASN 82 -8.252 1.624 16.623 1.00 0.00 ATOM 645 CA ASN 82 -8.064 0.224 16.301 1.00 0.00 ATOM 646 CB ASN 82 -6.567 -0.100 16.266 1.00 0.00 ATOM 647 CG ASN 82 -5.831 0.670 15.188 1.00 0.00 ATOM 648 ND2 ASN 82 -4.535 0.877 15.391 1.00 0.00 ATOM 649 OD1 ASN 82 -6.420 1.074 14.184 1.00 0.00 ATOM 650 O ASN 82 -9.401 -1.714 16.869 1.00 0.00 ATOM 651 C ASN 82 -8.835 -0.692 17.283 1.00 0.00 ATOM 652 N ILE 83 -8.941 -0.258 18.550 1.00 0.00 ATOM 653 CA ILE 83 -9.651 -1.017 19.580 1.00 0.00 ATOM 654 CB ILE 83 -8.631 -1.647 20.536 1.00 0.00 ATOM 655 CG1 ILE 83 -7.743 -2.626 19.797 1.00 0.00 ATOM 656 CG2 ILE 83 -9.321 -2.309 21.716 1.00 0.00 ATOM 657 CD1 ILE 83 -6.518 -3.074 20.602 1.00 0.00 ATOM 658 O ILE 83 -10.108 0.921 20.963 1.00 0.00 ATOM 659 C ILE 83 -10.559 -0.116 20.428 1.00 0.00 ATOM 660 N GLY 84 -11.807 -0.551 20.612 1.00 0.00 ATOM 661 CA GLY 84 -12.772 0.183 21.444 1.00 0.00 ATOM 662 O GLY 84 -14.250 -0.356 23.272 1.00 0.00 ATOM 663 C GLY 84 -13.110 -0.077 22.906 1.00 0.00 ATOM 664 N GLU 85 -11.990 0.104 23.747 1.00 0.00 ATOM 665 CA GLU 85 -12.179 -0.042 25.194 1.00 0.00 ATOM 666 CB GLU 85 -11.647 -1.415 25.644 1.00 0.00 ATOM 667 CG GLU 85 -12.277 -2.630 24.981 1.00 0.00 ATOM 668 CD GLU 85 -13.733 -2.819 25.362 1.00 0.00 ATOM 669 OE1 GLU 85 -14.064 -2.618 26.551 1.00 0.00 ATOM 670 OE2 GLU 85 -14.543 -3.180 24.483 1.00 0.00 ATOM 671 O GLU 85 -10.444 1.556 25.607 1.00 0.00 ATOM 672 C GLU 85 -11.479 1.018 26.042 1.00 0.00 ATOM 673 N PRO 86 -11.960 1.185 27.245 1.00 0.00 ATOM 674 CA PRO 86 -11.417 2.216 28.096 1.00 0.00 ATOM 675 CB PRO 86 -12.587 2.504 29.038 1.00 0.00 ATOM 676 CG PRO 86 -13.180 1.139 29.241 1.00 0.00 ATOM 677 CD PRO 86 -13.082 0.459 27.895 1.00 0.00 ATOM 678 O PRO 86 -10.242 1.955 30.168 1.00 0.00 ATOM 679 C PRO 86 -10.271 1.702 28.960 1.00 0.00 ATOM 680 N LEU 87 -9.239 0.972 28.346 1.00 0.00 ATOM 681 CA LEU 87 -8.085 0.468 29.080 1.00 0.00 ATOM 682 CB LEU 87 -8.096 -1.014 29.459 1.00 0.00 ATOM 683 CG LEU 87 -9.324 -1.510 30.226 1.00 0.00 ATOM 684 CD1 LEU 87 -9.349 -3.029 30.278 1.00 0.00 ATOM 685 CD2 LEU 87 -9.318 -0.983 31.653 1.00 0.00 ATOM 686 O LEU 87 -6.789 1.063 27.175 1.00 0.00 ATOM 687 C LEU 87 -6.783 0.774 28.375 1.00 0.00 ATOM 688 N LEU 88 -5.681 0.748 29.127 1.00 0.00 ATOM 689 CA LEU 88 -4.352 1.055 28.590 1.00 0.00 ATOM 690 CB LEU 88 -3.300 0.996 29.700 1.00 0.00 ATOM 691 CG LEU 88 -3.385 2.084 30.775 1.00 0.00 ATOM 692 CD1 LEU 88 -2.395 1.810 31.896 1.00 0.00 ATOM 693 CD2 LEU 88 -3.069 3.448 30.183 1.00 0.00 ATOM 694 O LEU 88 -3.125 0.535 26.618 1.00 0.00 ATOM 695 C LEU 88 -3.907 0.130 27.474 1.00 0.00 ATOM 696 N VAL 89 -4.281 -1.146 27.560 1.00 0.00 ATOM 697 CA VAL 89 -3.906 -2.086 26.510 1.00 0.00 ATOM 698 CB VAL 89 -4.509 -3.428 26.601 1.00 0.00 ATOM 699 CG1 VAL 89 -4.125 -4.254 25.376 1.00 0.00 ATOM 700 CG2 VAL 89 -3.987 -4.107 27.863 1.00 0.00 ATOM 701 O VAL 89 -3.557 -1.240 24.312 1.00 0.00 ATOM 702 C VAL 89 -4.371 -1.489 25.174 1.00 0.00 ATOM 703 N TYR 90 -5.723 -1.205 25.014 1.00 0.00 ATOM 704 CA TYR 90 -6.221 -0.577 23.801 1.00 0.00 ATOM 705 CB TYR 90 -7.833 -0.648 23.879 1.00 0.00 ATOM 706 CG TYR 90 -8.378 -2.046 23.992 1.00 0.00 ATOM 707 CD1 TYR 90 -8.644 -2.599 25.230 1.00 0.00 ATOM 708 CD2 TYR 90 -8.601 -2.825 22.864 1.00 0.00 ATOM 709 CE1 TYR 90 -9.090 -3.900 25.357 1.00 0.00 ATOM 710 CE2 TYR 90 -9.056 -4.140 22.989 1.00 0.00 ATOM 711 CZ TYR 90 -9.265 -4.678 24.230 1.00 0.00 ATOM 712 OH TYR 90 -9.705 -5.970 24.377 1.00 0.00 ATOM 713 O TYR 90 -5.439 1.133 22.327 1.00 0.00 ATOM 714 C TYR 90 -5.663 0.806 23.490 1.00 0.00 ATOM 715 N LEU 91 -5.490 1.655 24.529 1.00 0.00 ATOM 716 CA LEU 91 -4.967 3.010 24.333 1.00 0.00 ATOM 717 CB LEU 91 -5.098 3.768 25.709 1.00 0.00 ATOM 718 CG LEU 91 -6.498 3.750 26.340 1.00 0.00 ATOM 719 CD1 LEU 91 -6.604 4.842 27.400 1.00 0.00 ATOM 720 CD2 LEU 91 -7.578 3.942 25.258 1.00 0.00 ATOM 721 O LEU 91 -3.181 3.830 22.946 1.00 0.00 ATOM 722 C LEU 91 -3.535 2.990 23.775 1.00 0.00 ATOM 723 N ARG 92 -2.703 2.056 24.291 1.00 0.00 ATOM 724 CA ARG 92 -1.321 1.919 23.831 1.00 0.00 ATOM 725 CB ARG 92 -0.525 0.905 24.526 1.00 0.00 ATOM 726 CG ARG 92 0.099 1.504 25.793 1.00 0.00 ATOM 727 CD ARG 92 1.097 0.545 26.502 1.00 0.00 ATOM 728 NE ARG 92 0.461 -0.656 27.042 1.00 0.00 ATOM 729 CZ ARG 92 0.526 -1.866 26.497 1.00 0.00 ATOM 730 NH1 ARG 92 1.205 -2.063 25.371 1.00 0.00 ATOM 731 NH2 ARG 92 -0.074 -2.890 27.094 1.00 0.00 ATOM 732 O ARG 92 -0.888 2.186 21.510 1.00 0.00 ATOM 733 C ARG 92 -1.447 1.507 22.358 1.00 0.00 ATOM 734 N ARG 93 -2.381 0.608 22.056 1.00 0.00 ATOM 735 CA ARG 93 -2.580 0.163 20.670 1.00 0.00 ATOM 736 CB ARG 93 -3.536 -1.030 20.640 1.00 0.00 ATOM 737 CG ARG 93 -3.033 -2.247 21.400 1.00 0.00 ATOM 738 CD ARG 93 -1.936 -2.964 20.632 1.00 0.00 ATOM 739 NE ARG 93 -1.426 -4.123 21.360 1.00 0.00 ATOM 740 CZ ARG 93 -0.500 -4.953 20.890 1.00 0.00 ATOM 741 NH1 ARG 93 -0.096 -5.981 21.622 1.00 0.00 ATOM 742 NH2 ARG 93 0.020 -4.753 19.686 1.00 0.00 ATOM 743 O ARG 93 -3.113 1.088 18.517 1.00 0.00 ATOM 744 C ARG 93 -3.137 1.237 19.753 1.00 0.00 ATOM 745 N GLN 94 -3.624 2.385 20.376 1.00 0.00 ATOM 746 CA GLN 94 -4.109 3.503 19.585 1.00 0.00 ATOM 747 CB GLN 94 -5.586 3.837 20.087 1.00 0.00 ATOM 748 CG GLN 94 -6.546 2.697 20.163 1.00 0.00 ATOM 749 CD GLN 94 -7.725 3.001 21.068 1.00 0.00 ATOM 750 OE1 GLN 94 -8.348 4.083 20.977 1.00 0.00 ATOM 751 NE2 GLN 94 -8.053 2.049 21.932 1.00 0.00 ATOM 752 O GLN 94 -3.376 5.539 18.585 1.00 0.00 ATOM 753 C GLN 94 -3.104 4.649 19.396 1.00 0.00 ATOM 754 N ASP 95 -2.163 4.838 20.326 1.00 0.00 ATOM 755 CA ASP 95 -1.174 5.901 20.181 1.00 0.00 ATOM 756 CB ASP 95 -0.388 6.015 21.484 1.00 0.00 ATOM 757 CG ASP 95 0.658 7.127 21.450 1.00 0.00 ATOM 758 OD1 ASP 95 1.152 7.473 20.375 1.00 0.00 ATOM 759 OD2 ASP 95 0.983 7.630 22.545 1.00 0.00 ATOM 760 O ASP 95 0.796 4.802 19.333 1.00 0.00 ATOM 761 C ASP 95 -0.232 5.418 19.068 1.00 0.00 ATOM 762 N LEU 96 -0.478 5.788 17.840 1.00 0.00 ATOM 763 CA LEU 96 0.264 5.246 16.697 1.00 0.00 ATOM 764 CB LEU 96 -0.603 4.117 16.125 1.00 0.00 ATOM 765 CG LEU 96 -0.689 2.818 16.911 1.00 0.00 ATOM 766 CD1 LEU 96 -1.699 1.953 16.117 1.00 0.00 ATOM 767 CD2 LEU 96 0.635 2.113 17.049 1.00 0.00 ATOM 768 O LEU 96 -0.260 7.238 15.468 1.00 0.00 ATOM 769 C LEU 96 0.520 6.316 15.668 1.00 0.00 ATOM 770 N PRO 97 1.197 5.318 14.684 1.00 0.00 ATOM 771 CA PRO 97 1.083 5.622 13.263 1.00 0.00 ATOM 772 CB PRO 97 2.304 6.495 12.971 1.00 0.00 ATOM 773 CG PRO 97 3.357 5.984 13.899 1.00 0.00 ATOM 774 CD PRO 97 2.646 5.602 15.167 1.00 0.00 ATOM 775 O PRO 97 1.709 3.360 12.820 1.00 0.00 ATOM 776 C PRO 97 1.092 4.351 12.432 1.00 0.00 ATOM 777 N GLU 98 0.358 4.336 11.304 1.00 0.00 ATOM 778 CA GLU 98 0.324 3.183 10.413 1.00 0.00 ATOM 779 CB GLU 98 -1.087 2.592 10.357 1.00 0.00 ATOM 780 CG GLU 98 -1.215 1.377 9.451 1.00 0.00 ATOM 781 CD GLU 98 -2.616 0.799 9.448 1.00 0.00 ATOM 782 OE1 GLU 98 -3.501 1.382 10.107 1.00 0.00 ATOM 783 OE2 GLU 98 -2.828 -0.240 8.787 1.00 0.00 ATOM 784 O GLU 98 0.242 4.446 8.422 1.00 0.00 ATOM 785 C GLU 98 0.769 3.531 9.009 1.00 0.00 ATOM 786 N ILE 99 1.704 2.771 8.474 1.00 0.00 ATOM 787 CA ILE 99 2.155 2.985 7.098 1.00 0.00 ATOM 788 CB ILE 99 3.476 2.285 6.912 1.00 0.00 ATOM 789 CG1 ILE 99 4.482 3.051 7.791 1.00 0.00 ATOM 790 CG2 ILE 99 3.855 2.409 5.437 1.00 0.00 ATOM 791 CD1 ILE 99 5.928 2.656 7.626 1.00 0.00 ATOM 792 O ILE 99 0.962 1.062 6.310 1.00 0.00 ATOM 793 C ILE 99 1.171 2.268 6.186 1.00 0.00 ATOM 794 N THR 100 0.532 3.021 5.275 1.00 0.00 ATOM 795 CA THR 100 -0.430 2.453 4.340 1.00 0.00 ATOM 796 CB THR 100 -1.796 3.130 4.553 1.00 0.00 ATOM 797 CG2 THR 100 -2.828 2.562 3.592 1.00 0.00 ATOM 798 OG1 THR 100 -2.239 2.905 5.898 1.00 0.00 ATOM 799 O THR 100 0.348 3.793 2.487 1.00 0.00 ATOM 800 C THR 100 -0.023 2.682 2.879 1.00 0.00 ATOM 801 N ALA 101 0.133 1.689 1.957 1.00 0.00 ATOM 802 CA ALA 101 0.628 1.824 0.618 1.00 0.00 ATOM 803 CB ALA 101 1.110 0.478 0.111 1.00 0.00 ATOM 804 O ALA 101 -1.560 1.514 -0.274 1.00 0.00 ATOM 805 C ALA 101 -0.530 2.210 -0.277 1.00 0.00 ATOM 806 N GLN 102 -0.186 3.423 -1.181 1.00 0.00 ATOM 807 CA GLN 102 -1.296 3.813 -2.049 1.00 0.00 ATOM 808 CB GLN 102 -0.837 5.039 -2.911 1.00 0.00 ATOM 809 CG GLN 102 -1.555 6.362 -2.566 1.00 0.00 ATOM 810 CD GLN 102 -3.048 6.198 -2.339 1.00 0.00 ATOM 811 OE1 GLN 102 -3.533 6.583 -1.252 1.00 0.00 ATOM 812 NE2 GLN 102 -3.752 5.629 -3.336 1.00 0.00 ATOM 813 O GLN 102 -3.126 2.488 -2.846 1.00 0.00 ATOM 814 C GLN 102 -1.898 2.596 -2.761 1.00 0.00 ATOM 815 N ARG 103 -1.049 1.671 -3.232 1.00 0.00 ATOM 816 CA ARG 103 -1.538 0.467 -3.900 1.00 0.00 ATOM 817 CB ARG 103 -0.381 -0.340 -4.524 1.00 0.00 ATOM 818 CG ARG 103 0.317 0.406 -5.665 1.00 0.00 ATOM 819 CD ARG 103 1.614 -0.245 -6.172 1.00 0.00 ATOM 820 NE ARG 103 2.194 0.729 -7.086 1.00 0.00 ATOM 821 CZ ARG 103 1.938 0.766 -8.392 1.00 0.00 ATOM 822 NH1 ARG 103 1.237 -0.205 -8.971 1.00 0.00 ATOM 823 NH2 ARG 103 2.486 1.710 -9.143 1.00 0.00 ATOM 824 O ARG 103 -3.402 -0.885 -3.188 1.00 0.00 ATOM 825 C ARG 103 -2.279 -0.440 -2.902 1.00 0.00 ATOM 826 N GLN 104 -1.773 -0.510 -1.707 1.00 0.00 ATOM 827 CA GLN 104 -2.433 -1.304 -0.682 1.00 0.00 ATOM 828 CB GLN 104 -1.519 -1.484 0.535 1.00 0.00 ATOM 829 CG GLN 104 -2.136 -2.329 1.661 1.00 0.00 ATOM 830 CD GLN 104 -2.240 -3.797 1.302 1.00 0.00 ATOM 831 OE1 GLN 104 -1.230 -4.456 1.110 1.00 0.00 ATOM 832 NE2 GLN 104 -3.453 -4.313 1.219 1.00 0.00 ATOM 833 O GLN 104 -4.772 -1.283 -0.178 1.00 0.00 ATOM 834 C GLN 104 -3.735 -0.629 -0.268 1.00 0.00 ATOM 835 N LEU 105 -3.693 0.687 -0.030 1.00 0.00 ATOM 836 CA LEU 105 -4.896 1.409 0.366 1.00 0.00 ATOM 837 CB LEU 105 -4.479 2.857 0.787 1.00 0.00 ATOM 838 CG LEU 105 -5.635 3.819 1.076 1.00 0.00 ATOM 839 CD1 LEU 105 -6.492 3.279 2.215 1.00 0.00 ATOM 840 CD2 LEU 105 -5.085 5.193 1.417 1.00 0.00 ATOM 841 O LEU 105 -7.157 1.398 -0.445 1.00 0.00 ATOM 842 C LEU 105 -5.959 1.404 -0.730 1.00 0.00 ATOM 843 N ARG 106 -5.507 1.491 -1.965 1.00 0.00 ATOM 844 CA ARG 106 -6.405 1.487 -3.117 1.00 0.00 ATOM 845 CB ARG 106 -5.644 1.608 -4.437 1.00 0.00 ATOM 846 CG ARG 106 -5.033 2.963 -4.725 1.00 0.00 ATOM 847 CD ARG 106 -4.545 3.002 -6.170 1.00 0.00 ATOM 848 NE ARG 106 -4.188 4.347 -6.609 1.00 0.00 ATOM 849 CZ ARG 106 -3.026 4.940 -6.356 1.00 0.00 ATOM 850 NH1 ARG 106 -2.089 4.310 -5.662 1.00 0.00 ATOM 851 NH2 ARG 106 -2.803 6.172 -6.801 1.00 0.00 ATOM 852 O ARG 106 -8.351 0.154 -3.494 1.00 0.00 ATOM 853 C ARG 106 -7.161 0.161 -3.114 1.00 0.00 TER END