PFRMAT TS TARGET T0307 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 Model 1 is try24-opt2, optimized from a 4-helix bundle hand-built by ProteinShop. METHOD Model 2 is try26-opt2, edited then ptimized from a model built from METHOD alignments (probably mainly 1afvA). METHOD Model 3 is try3-opt2, built from alignments (probably mainly 1ireA) METHOD Model 4 is try1-opt2, the fully automatic model (probably mainly from METHOD an alignment to 1yqyA). METHOD Model 5 is try25-opt2, optimized from ROBETTA_TS4, the best-scoring METHOD server model with our cost functions. METHOD REMARK 6 REMARK 6 T0307 model 3 Tue Jul 11 08:18:13 2006 MODEL 3 PARENT 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A REMARK 7 REMARK 7 ALLPARENTS 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A 1a2x_A 1uhn_A REMARK 7 ALLPARENTS 2mys_B 1tn4 1ncx 1top 2ccm_A 1mvw_B 1pva_A REMARK 7 ALLPARENTS 1jk0_A 1afv_A 1jip_A 1go3_F 1osa 2scp_A 1aj4 REMARK 7 ALLPARENTS 1wdc_B 1eup_A 1yqy_A ATOM 1 N MET 1 6.319 18.760 -1.738 1.00 0.00 ATOM 2 CA MET 1 7.353 18.322 -2.675 1.00 0.00 ATOM 3 CB MET 1 8.474 19.603 -2.622 1.00 0.00 ATOM 4 CG MET 1 7.981 21.017 -2.391 1.00 0.00 ATOM 5 SD MET 1 9.378 22.162 -2.321 1.00 0.00 ATOM 6 CE MET 1 9.899 21.949 -0.621 1.00 0.00 ATOM 7 O MET 1 8.520 16.224 -2.617 1.00 0.00 ATOM 8 C MET 1 8.195 17.242 -2.007 1.00 0.00 ATOM 9 N GLY 2 8.542 17.467 -0.745 1.00 0.00 ATOM 10 CA GLY 2 9.328 16.493 0.003 1.00 0.00 ATOM 11 O GLY 2 9.092 14.097 -0.024 1.00 0.00 ATOM 12 C GLY 2 8.545 15.184 0.156 1.00 0.00 ATOM 13 N LEU 3 7.262 15.298 0.484 1.00 0.00 ATOM 14 CA LEU 3 6.412 14.120 0.652 1.00 0.00 ATOM 15 CB LEU 3 5.019 14.530 1.131 1.00 0.00 ATOM 16 CG LEU 3 4.027 13.392 1.386 1.00 0.00 ATOM 17 CD1 LEU 3 4.549 12.457 2.465 1.00 0.00 ATOM 18 CD2 LEU 3 2.684 13.941 1.841 1.00 0.00 ATOM 19 O LEU 3 6.242 12.146 -0.712 1.00 0.00 ATOM 20 C LEU 3 6.279 13.377 -0.679 1.00 0.00 ATOM 21 N GLY 4 6.207 14.215 -1.787 1.00 0.00 ATOM 22 CA GLY 4 6.110 13.629 -3.123 1.00 0.00 ATOM 23 O GLY 4 7.303 11.712 -3.951 1.00 0.00 ATOM 24 C GLY 4 7.374 12.831 -3.431 1.00 0.00 ATOM 25 N ARG 5 8.532 13.397 -3.103 1.00 0.00 ATOM 26 CA ARG 5 9.797 12.706 -3.335 1.00 0.00 ATOM 27 CB ARG 5 10.961 13.669 -3.049 1.00 0.00 ATOM 28 CG ARG 5 12.267 13.390 -3.779 1.00 0.00 ATOM 29 CD ARG 5 13.140 14.642 -3.803 1.00 0.00 ATOM 30 NE ARG 5 13.876 14.825 -2.562 1.00 0.00 ATOM 31 CZ ARG 5 13.842 15.913 -1.800 1.00 0.00 ATOM 32 NH1 ARG 5 13.081 16.944 -2.141 1.00 0.00 ATOM 33 NH2 ARG 5 14.561 15.969 -0.686 1.00 0.00 ATOM 34 O ARG 5 10.219 10.348 -3.033 1.00 0.00 ATOM 35 C ARG 5 9.804 11.400 -2.534 1.00 0.00 ATOM 36 N GLN 6 9.342 11.466 -1.293 1.00 0.00 ATOM 37 CA GLN 6 9.298 10.269 -0.464 1.00 0.00 ATOM 38 CB GLN 6 8.884 10.593 0.965 1.00 0.00 ATOM 39 CG GLN 6 9.939 11.381 1.704 1.00 0.00 ATOM 40 CD GLN 6 11.188 10.558 2.045 1.00 0.00 ATOM 41 OE1 GLN 6 11.104 9.346 2.326 1.00 0.00 ATOM 42 NE2 GLN 6 12.346 11.213 2.038 1.00 0.00 ATOM 43 O GLN 6 8.709 8.026 -1.095 1.00 0.00 ATOM 44 C GLN 6 8.379 9.211 -1.071 1.00 0.00 ATOM 45 N SER 7 7.233 9.640 -1.587 1.00 0.00 ATOM 46 CA SER 7 6.277 8.725 -2.194 1.00 0.00 ATOM 47 CB SER 7 5.030 9.482 -2.657 1.00 0.00 ATOM 48 OG SER 7 4.305 9.992 -1.552 1.00 0.00 ATOM 49 O SER 7 6.769 6.824 -3.583 1.00 0.00 ATOM 50 C SER 7 6.900 8.036 -3.409 1.00 0.00 ATOM 51 N LEU 8 7.552 8.817 -4.265 1.00 0.00 ATOM 52 CA LEU 8 8.182 8.265 -5.462 1.00 0.00 ATOM 53 CB LEU 8 8.898 9.331 -6.258 1.00 0.00 ATOM 54 CG LEU 8 7.964 10.315 -6.970 1.00 0.00 ATOM 55 CD1 LEU 8 8.777 11.419 -7.626 1.00 0.00 ATOM 56 CD2 LEU 8 7.137 9.569 -8.006 1.00 0.00 ATOM 57 O LEU 8 9.256 6.118 -5.619 1.00 0.00 ATOM 58 C LEU 8 9.244 7.228 -5.084 1.00 0.00 ATOM 59 N ASN 9 10.111 7.596 -4.060 1.00 0.00 ATOM 60 CA ASN 9 11.114 6.652 -3.575 1.00 0.00 ATOM 61 CB ASN 9 12.083 7.413 -2.613 1.00 0.00 ATOM 62 CG ASN 9 12.937 8.477 -3.297 1.00 0.00 ATOM 63 ND2 ASN 9 13.352 9.460 -2.527 1.00 0.00 ATOM 64 OD1 ASN 9 13.221 8.406 -4.482 1.00 0.00 ATOM 65 O ASN 9 10.999 4.304 -3.103 1.00 0.00 ATOM 66 C ASN 9 10.491 5.413 -2.935 1.00 0.00 ATOM 67 N ILE 10 9.398 5.598 -2.203 1.00 0.00 ATOM 68 CA ILE 10 8.741 4.470 -1.540 1.00 0.00 ATOM 69 CB ILE 10 7.551 4.937 -0.683 1.00 0.00 ATOM 70 CG1 ILE 10 8.042 5.763 0.509 1.00 0.00 ATOM 71 CG2 ILE 10 6.775 3.741 -0.151 1.00 0.00 ATOM 72 CD1 ILE 10 6.937 6.478 1.254 1.00 0.00 ATOM 73 O ILE 10 8.123 2.266 -2.265 1.00 0.00 ATOM 74 C ILE 10 8.215 3.462 -2.552 1.00 0.00 ATOM 75 N MET 11 7.882 3.964 -3.743 1.00 0.00 ATOM 76 CA MET 11 7.350 3.104 -4.790 1.00 0.00 ATOM 77 CB MET 11 6.814 3.943 -5.952 1.00 0.00 ATOM 78 CG MET 11 5.553 4.724 -5.623 1.00 0.00 ATOM 79 SD MET 11 4.969 5.719 -7.010 1.00 0.00 ATOM 80 CE MET 11 4.419 4.439 -8.135 1.00 0.00 ATOM 81 O MET 11 8.089 0.946 -5.530 1.00 0.00 ATOM 82 C MET 11 8.395 2.110 -5.266 1.00 0.00 ATOM 83 N THR 12 9.610 2.501 -5.327 1.00 0.00 ATOM 84 CA THR 12 10.701 1.714 -5.913 1.00 0.00 ATOM 85 CB THR 12 11.513 2.406 -7.023 1.00 0.00 ATOM 86 CG2 THR 12 10.606 2.808 -8.176 1.00 0.00 ATOM 87 OG1 THR 12 12.145 3.580 -6.497 1.00 0.00 ATOM 88 O THR 12 12.457 0.226 -5.271 1.00 0.00 ATOM 89 C THR 12 11.768 1.201 -4.957 1.00 0.00 ATOM 90 N PHE 13 12.034 1.955 -3.768 1.00 0.00 ATOM 91 CA PHE 13 13.032 1.551 -2.785 1.00 0.00 ATOM 92 CB PHE 13 13.611 2.705 -1.924 1.00 0.00 ATOM 93 CG PHE 13 14.656 3.522 -2.679 1.00 0.00 ATOM 94 CD1 PHE 13 14.272 4.522 -3.553 1.00 0.00 ATOM 95 CD2 PHE 13 16.014 3.260 -2.490 1.00 0.00 ATOM 96 CE1 PHE 13 15.203 5.269 -4.259 1.00 0.00 ATOM 97 CE2 PHE 13 16.929 4.003 -3.226 1.00 0.00 ATOM 98 CZ PHE 13 16.557 4.988 -4.118 1.00 0.00 ATOM 99 O PHE 13 11.280 0.765 -1.352 1.00 0.00 ATOM 100 C PHE 13 12.439 0.608 -1.752 1.00 0.00 ATOM 101 N SER 14 13.252 -0.394 -1.326 1.00 0.00 ATOM 102 CA SER 14 12.797 -1.348 -0.329 1.00 0.00 ATOM 103 CB SER 14 13.821 -2.468 -0.136 1.00 0.00 ATOM 104 OG SER 14 14.993 -1.983 0.495 1.00 0.00 ATOM 105 O SER 14 13.213 0.630 0.973 1.00 0.00 ATOM 106 C SER 14 12.624 -0.455 0.897 1.00 0.00 ATOM 107 N GLY 15 11.803 -0.834 1.808 1.00 0.00 ATOM 108 CA GLY 15 11.621 -0.138 3.074 1.00 0.00 ATOM 109 O GLY 15 13.170 0.925 4.572 1.00 0.00 ATOM 110 C GLY 15 12.908 -0.069 3.893 1.00 0.00 ATOM 111 N GLN 16 13.806 -1.131 3.749 1.00 0.00 ATOM 112 CA GLN 16 15.089 -1.127 4.440 1.00 0.00 ATOM 113 CB GLN 16 15.819 -2.453 4.220 1.00 0.00 ATOM 114 CG GLN 16 15.171 -3.640 4.917 1.00 0.00 ATOM 115 CD GLN 16 15.856 -4.952 4.588 1.00 0.00 ATOM 116 OE1 GLN 16 16.762 -4.999 3.756 1.00 0.00 ATOM 117 NE2 GLN 16 15.424 -6.024 5.244 1.00 0.00 ATOM 118 O GLN 16 16.511 0.789 4.686 1.00 0.00 ATOM 119 C GLN 16 15.929 0.028 3.914 1.00 0.00 ATOM 120 N GLU 17 15.971 0.171 2.588 1.00 0.00 ATOM 121 CA GLU 17 16.753 1.230 1.965 1.00 0.00 ATOM 122 CB GLU 17 17.012 0.869 0.476 1.00 0.00 ATOM 123 CG GLU 17 17.924 -0.337 0.324 1.00 0.00 ATOM 124 CD GLU 17 18.007 -0.887 -1.091 1.00 0.00 ATOM 125 OE1 GLU 17 17.084 -0.665 -1.904 1.00 0.00 ATOM 126 OE2 GLU 17 19.004 -1.575 -1.375 1.00 0.00 ATOM 127 O GLU 17 16.817 3.584 2.275 1.00 0.00 ATOM 128 C GLU 17 16.117 2.594 2.138 1.00 0.00 ATOM 129 N LEU 18 14.796 2.647 2.167 1.00 0.00 ATOM 130 CA LEU 18 14.130 3.908 2.513 1.00 0.00 ATOM 131 CB LEU 18 12.597 3.837 2.380 1.00 0.00 ATOM 132 CG LEU 18 11.944 5.185 2.596 1.00 0.00 ATOM 133 CD1 LEU 18 12.421 6.244 1.618 1.00 0.00 ATOM 134 CD2 LEU 18 10.409 5.036 2.494 1.00 0.00 ATOM 135 O LEU 18 14.737 5.518 4.178 1.00 0.00 ATOM 136 C LEU 18 14.512 4.319 3.922 1.00 0.00 ATOM 137 N THR 19 14.592 3.345 4.851 1.00 0.00 ATOM 138 CA THR 19 14.957 3.675 6.222 1.00 0.00 ATOM 139 CB THR 19 14.778 2.468 7.150 1.00 0.00 ATOM 140 CG2 THR 19 15.111 2.856 8.558 1.00 0.00 ATOM 141 OG1 THR 19 13.393 2.125 7.127 1.00 0.00 ATOM 142 O THR 19 16.619 5.261 6.936 1.00 0.00 ATOM 143 C THR 19 16.373 4.235 6.289 1.00 0.00 ATOM 144 N ALA 20 17.299 3.569 5.604 1.00 0.00 ATOM 145 CA ALA 20 18.688 4.008 5.581 1.00 0.00 ATOM 146 CB ALA 20 19.559 3.018 4.823 1.00 0.00 ATOM 147 O ALA 20 19.510 6.256 5.401 1.00 0.00 ATOM 148 C ALA 20 18.816 5.370 4.904 1.00 0.00 ATOM 149 N ILE 21 18.146 5.533 3.766 1.00 0.00 ATOM 150 CA ILE 21 18.204 6.790 3.029 1.00 0.00 ATOM 151 CB ILE 21 17.426 6.703 1.703 1.00 0.00 ATOM 152 CG1 ILE 21 18.117 5.730 0.744 1.00 0.00 ATOM 153 CG2 ILE 21 17.356 8.068 1.037 1.00 0.00 ATOM 154 CD1 ILE 21 17.288 5.383 -0.474 1.00 0.00 ATOM 155 O ILE 21 18.195 9.036 3.871 1.00 0.00 ATOM 156 C ILE 21 17.630 7.942 3.844 1.00 0.00 ATOM 157 N ILE 22 16.508 7.699 4.523 1.00 0.00 ATOM 158 CA ILE 22 15.867 8.723 5.334 1.00 0.00 ATOM 159 CB ILE 22 14.481 8.258 5.771 1.00 0.00 ATOM 160 CG1 ILE 22 13.514 8.176 4.576 1.00 0.00 ATOM 161 CG2 ILE 22 13.854 9.238 6.833 1.00 0.00 ATOM 162 CD1 ILE 22 12.164 7.508 4.893 1.00 0.00 ATOM 163 O ILE 22 16.896 10.305 6.820 1.00 0.00 ATOM 164 C ILE 22 16.725 9.118 6.538 1.00 0.00 ATOM 165 N LYS 23 17.302 8.128 7.215 1.00 0.00 ATOM 166 CA LYS 23 18.143 8.412 8.371 1.00 0.00 ATOM 167 CB LYS 23 18.605 7.110 9.030 1.00 0.00 ATOM 168 CG LYS 23 17.498 6.347 9.741 1.00 0.00 ATOM 169 CD LYS 23 18.024 5.065 10.364 1.00 0.00 ATOM 170 CE LYS 23 16.917 4.299 11.070 1.00 0.00 ATOM 171 NZ LYS 23 17.409 3.024 11.659 1.00 0.00 ATOM 172 O LYS 23 19.810 10.121 8.639 1.00 0.00 ATOM 173 C LYS 23 19.372 9.214 7.932 1.00 0.00 ATOM 174 N MET 24 19.883 8.913 6.737 1.00 0.00 ATOM 175 CA MET 24 21.037 9.626 6.183 1.00 0.00 ATOM 176 CB MET 24 21.489 8.975 4.874 1.00 0.00 ATOM 177 CG MET 24 22.107 7.598 5.046 1.00 0.00 ATOM 178 SD MET 24 22.529 6.823 3.474 1.00 0.00 ATOM 179 CE MET 24 23.921 7.829 2.964 1.00 0.00 ATOM 180 O MET 24 21.403 12.002 6.297 1.00 0.00 ATOM 181 C MET 24 20.676 11.089 5.905 1.00 0.00 ATOM 182 N ALA 25 19.547 11.306 5.231 1.00 0.00 ATOM 183 CA ALA 25 19.100 12.665 4.924 1.00 0.00 ATOM 184 CB ALA 25 17.836 12.629 4.079 1.00 0.00 ATOM 185 O ALA 25 18.984 14.615 6.317 1.00 0.00 ATOM 186 C ALA 25 18.764 13.409 6.208 1.00 0.00 ATOM 187 N LYS 26 18.213 12.666 7.205 1.00 0.00 ATOM 188 CA LYS 26 17.868 13.294 8.470 1.00 0.00 ATOM 189 CB LYS 26 17.346 12.364 9.488 1.00 0.00 ATOM 190 CG LYS 26 15.843 12.188 9.253 1.00 0.00 ATOM 191 CD LYS 26 15.205 11.278 10.289 1.00 0.00 ATOM 192 CE LYS 26 14.110 10.424 9.675 1.00 0.00 ATOM 193 NZ LYS 26 12.893 10.385 10.535 1.00 0.00 ATOM 194 O LYS 26 19.140 14.875 9.740 1.00 0.00 ATOM 195 C LYS 26 19.124 13.777 9.188 1.00 0.00 ATOM 196 N SER 27 20.179 12.967 9.163 1.00 0.00 ATOM 197 CA SER 27 21.429 13.335 9.822 1.00 0.00 ATOM 198 CB SER 27 22.474 12.233 9.642 1.00 0.00 ATOM 199 OG SER 27 22.088 11.048 10.318 1.00 0.00 ATOM 200 O SER 27 22.389 15.541 9.971 1.00 0.00 ATOM 201 C SER 27 21.944 14.652 9.249 1.00 0.00 ATOM 202 N MET 28 21.873 14.803 7.895 1.00 0.00 ATOM 203 CA MET 28 22.358 16.031 7.273 1.00 0.00 ATOM 204 CB MET 28 22.214 15.954 5.766 1.00 0.00 ATOM 205 CG MET 28 22.543 17.253 5.025 1.00 0.00 ATOM 206 SD MET 28 22.635 17.074 3.096 1.00 0.00 ATOM 207 CE MET 28 24.217 15.980 3.038 1.00 0.00 ATOM 208 O MET 28 22.087 18.323 7.913 1.00 0.00 ATOM 209 C MET 28 21.531 17.267 7.618 1.00 0.00 ATOM 210 N VAL 29 20.207 17.132 7.606 1.00 0.00 ATOM 211 CA VAL 29 19.349 18.267 7.938 1.00 0.00 ATOM 212 CB VAL 29 17.866 18.048 7.812 1.00 0.00 ATOM 213 CG1 VAL 29 17.445 18.127 6.352 1.00 0.00 ATOM 214 CG2 VAL 29 17.435 16.743 8.444 1.00 0.00 ATOM 215 O VAL 29 19.663 19.848 9.721 1.00 0.00 ATOM 216 C VAL 29 19.612 18.662 9.391 1.00 0.00 ATOM 217 N MET 30 19.794 17.651 10.255 1.00 0.00 ATOM 218 CA MET 30 20.065 17.927 11.660 1.00 0.00 ATOM 219 CB MET 30 20.219 16.620 12.442 1.00 0.00 ATOM 220 CG MET 30 18.926 15.840 12.606 1.00 0.00 ATOM 221 SD MET 30 19.168 14.262 13.444 1.00 0.00 ATOM 222 CE MET 30 19.576 14.815 15.098 1.00 0.00 ATOM 223 O MET 30 21.421 19.678 12.610 1.00 0.00 ATOM 224 C MET 30 21.368 18.721 11.835 1.00 0.00 ATOM 225 N ALA 31 22.399 18.352 11.080 1.00 0.00 ATOM 226 CA ALA 31 23.680 19.057 11.149 1.00 0.00 ATOM 227 CB ALA 31 24.710 18.376 10.261 1.00 0.00 ATOM 228 O ALA 31 24.219 21.392 11.173 1.00 0.00 ATOM 229 C ALA 31 23.531 20.498 10.679 1.00 0.00 ATOM 230 N ASP 32 22.680 20.693 9.644 1.00 0.00 ATOM 231 CA ASP 32 22.433 22.017 9.078 1.00 0.00 ATOM 232 CB ASP 32 21.616 21.905 7.789 1.00 0.00 ATOM 233 CG ASP 32 22.422 21.340 6.635 1.00 0.00 ATOM 234 OD1 ASP 32 23.662 21.270 6.755 1.00 0.00 ATOM 235 OD2 ASP 32 21.812 20.968 5.611 1.00 0.00 ATOM 236 O ASP 32 21.613 24.133 9.872 1.00 0.00 ATOM 237 C ASP 32 21.691 22.915 10.064 1.00 0.00 ATOM 238 N GLY 33 21.112 22.298 11.091 1.00 0.00 ATOM 239 CA GLY 33 20.374 23.036 12.102 1.00 0.00 ATOM 240 O GLY 33 18.261 24.077 12.440 1.00 0.00 ATOM 241 C GLY 33 18.934 23.337 11.732 1.00 0.00 ATOM 242 N LYS 34 18.421 22.741 10.670 1.00 0.00 ATOM 243 CA LYS 34 17.053 22.998 10.230 1.00 0.00 ATOM 244 CB LYS 34 16.983 23.069 8.703 1.00 0.00 ATOM 245 CG LYS 34 17.763 24.225 8.099 1.00 0.00 ATOM 246 CD LYS 34 17.666 24.224 6.583 1.00 0.00 ATOM 247 CE LYS 34 18.440 25.385 5.978 1.00 0.00 ATOM 248 NZ LYS 34 18.290 25.443 4.499 1.00 0.00 ATOM 249 O LYS 34 14.821 22.161 10.518 1.00 0.00 ATOM 250 C LYS 34 16.027 21.951 10.666 1.00 0.00 ATOM 251 N ILE 35 16.523 20.810 11.183 1.00 0.00 ATOM 252 CA ILE 35 15.642 19.732 11.647 1.00 0.00 ATOM 253 CB ILE 35 16.032 18.383 11.015 1.00 0.00 ATOM 254 CG1 ILE 35 16.016 18.484 9.488 1.00 0.00 ATOM 255 CG2 ILE 35 15.054 17.295 11.435 1.00 0.00 ATOM 256 CD1 ILE 35 14.666 18.853 8.914 1.00 0.00 ATOM 257 O ILE 35 16.925 19.530 13.662 1.00 0.00 ATOM 258 C ILE 35 15.810 19.650 13.153 1.00 0.00 ATOM 259 N LYS 36 14.708 19.741 13.824 1.00 0.00 ATOM 260 CA LYS 36 14.713 19.673 15.281 1.00 0.00 ATOM 261 CB LYS 36 13.691 20.645 15.867 1.00 0.00 ATOM 262 CG LYS 36 13.822 22.071 15.330 1.00 0.00 ATOM 263 CD LYS 36 13.876 23.103 16.450 1.00 0.00 ATOM 264 CE LYS 36 14.127 24.514 15.898 1.00 0.00 ATOM 265 NZ LYS 36 13.658 25.588 16.838 1.00 0.00 ATOM 266 O LYS 36 13.687 17.503 14.958 1.00 0.00 ATOM 267 C LYS 36 14.217 18.301 15.728 1.00 0.00 ATOM 268 N PRO 37 14.344 17.995 16.999 1.00 0.00 ATOM 269 CA PRO 37 13.754 16.738 17.516 1.00 0.00 ATOM 270 CB PRO 37 14.022 16.856 19.023 1.00 0.00 ATOM 271 CG PRO 37 15.333 17.638 19.081 1.00 0.00 ATOM 272 CD PRO 37 15.158 18.732 18.023 1.00 0.00 ATOM 273 O PRO 37 11.807 15.459 16.889 1.00 0.00 ATOM 274 C PRO 37 12.261 16.564 17.225 1.00 0.00 ATOM 275 N ALA 38 11.471 17.585 17.349 1.00 0.00 ATOM 276 CA ALA 38 10.037 17.465 17.093 1.00 0.00 ATOM 277 CB ALA 38 9.322 18.767 17.422 1.00 0.00 ATOM 278 O ALA 38 8.839 16.352 15.332 1.00 0.00 ATOM 279 C ALA 38 9.749 17.130 15.632 1.00 0.00 ATOM 280 N GLU 39 10.507 17.718 14.711 1.00 0.00 ATOM 281 CA GLU 39 10.271 17.436 13.309 1.00 0.00 ATOM 282 CB GLU 39 11.159 18.319 12.428 1.00 0.00 ATOM 283 CG GLU 39 10.773 19.789 12.435 1.00 0.00 ATOM 284 CD GLU 39 11.745 20.650 11.654 1.00 0.00 ATOM 285 OE1 GLU 39 12.759 20.108 11.166 1.00 0.00 ATOM 286 OE2 GLU 39 11.492 21.867 11.527 1.00 0.00 ATOM 287 O GLU 39 9.888 15.304 12.260 1.00 0.00 ATOM 288 C GLU 39 10.603 15.977 13.013 1.00 0.00 ATOM 289 N ILE 40 11.675 15.477 13.618 1.00 0.00 ATOM 290 CA ILE 40 12.075 14.088 13.432 1.00 0.00 ATOM 291 CB ILE 40 13.370 13.766 14.198 1.00 0.00 ATOM 292 CG1 ILE 40 14.551 14.529 13.595 1.00 0.00 ATOM 293 CG2 ILE 40 13.675 12.277 14.131 1.00 0.00 ATOM 294 CD1 ILE 40 15.806 14.482 14.441 1.00 0.00 ATOM 295 O ILE 40 10.655 12.149 13.303 1.00 0.00 ATOM 296 C ILE 40 10.963 13.159 13.934 1.00 0.00 ATOM 297 N ALA 41 10.386 13.462 15.090 1.00 0.00 ATOM 298 CA ALA 41 9.318 12.666 15.635 1.00 0.00 ATOM 299 CB ALA 41 8.837 13.253 16.953 1.00 0.00 ATOM 300 O ALA 41 7.594 11.516 14.444 1.00 0.00 ATOM 301 C ALA 41 8.136 12.599 14.678 1.00 0.00 ATOM 302 N VAL 42 7.694 13.746 14.155 1.00 0.00 ATOM 303 CA VAL 42 6.586 13.808 13.212 1.00 0.00 ATOM 304 CB VAL 42 6.231 15.262 12.853 1.00 0.00 ATOM 305 CG1 VAL 42 5.191 15.300 11.744 1.00 0.00 ATOM 306 CG2 VAL 42 5.668 15.989 14.065 1.00 0.00 ATOM 307 O VAL 42 6.076 12.257 11.449 1.00 0.00 ATOM 308 C VAL 42 6.892 13.035 11.935 1.00 0.00 ATOM 309 N MET 43 8.079 13.235 11.389 1.00 0.00 ATOM 310 CA MET 43 8.472 12.597 10.143 1.00 0.00 ATOM 311 CB MET 43 9.844 13.117 9.713 1.00 0.00 ATOM 312 CG MET 43 9.852 14.579 9.299 1.00 0.00 ATOM 313 SD MET 43 11.441 15.104 8.627 1.00 0.00 ATOM 314 CE MET 43 12.427 15.194 10.118 1.00 0.00 ATOM 315 O MET 43 8.078 10.299 9.510 1.00 0.00 ATOM 316 C MET 43 8.509 11.067 10.336 1.00 0.00 ATOM 317 N THR 44 9.155 10.586 11.412 1.00 0.00 ATOM 318 CA THR 44 9.307 9.185 11.731 1.00 0.00 ATOM 319 CB THR 44 10.032 8.962 13.071 1.00 0.00 ATOM 320 CG2 THR 44 10.081 7.480 13.410 1.00 0.00 ATOM 321 OG1 THR 44 11.371 9.463 12.982 1.00 0.00 ATOM 322 O THR 44 7.699 7.467 11.301 1.00 0.00 ATOM 323 C THR 44 7.929 8.529 11.851 1.00 0.00 ATOM 324 N ARG 45 7.001 9.162 12.560 1.00 0.00 ATOM 325 CA ARG 45 5.649 8.590 12.702 1.00 0.00 ATOM 326 CB ARG 45 4.810 9.476 13.636 1.00 0.00 ATOM 327 CG ARG 45 3.407 8.921 13.798 1.00 0.00 ATOM 328 CD ARG 45 2.502 9.767 14.664 1.00 0.00 ATOM 329 NE ARG 45 2.144 11.030 14.030 1.00 0.00 ATOM 330 CZ ARG 45 2.604 12.196 14.483 1.00 0.00 ATOM 331 NH1 ARG 45 3.426 12.264 15.556 1.00 0.00 ATOM 332 NH2 ARG 45 2.224 13.301 13.843 1.00 0.00 ATOM 333 O ARG 45 4.262 7.445 11.075 1.00 0.00 ATOM 334 C ARG 45 4.979 8.435 11.332 1.00 0.00 ATOM 335 N GLU 46 5.268 9.380 10.480 1.00 0.00 ATOM 336 CA GLU 46 4.689 9.346 9.128 1.00 0.00 ATOM 337 CB GLU 46 4.971 10.609 8.310 1.00 0.00 ATOM 338 CG GLU 46 4.323 11.867 8.867 1.00 0.00 ATOM 339 CD GLU 46 2.812 11.761 8.932 1.00 0.00 ATOM 340 OE1 GLU 46 2.190 11.485 7.886 1.00 0.00 ATOM 341 OE2 GLU 46 2.250 11.957 10.031 1.00 0.00 ATOM 342 O GLU 46 4.474 7.576 7.547 1.00 0.00 ATOM 343 C GLU 46 5.199 8.124 8.375 1.00 0.00 ATOM 344 N PHE 47 6.420 7.643 8.710 1.00 0.00 ATOM 345 CA PHE 47 6.980 6.465 8.070 1.00 0.00 ATOM 346 CB PHE 47 8.401 6.716 7.569 1.00 0.00 ATOM 347 CG PHE 47 8.475 7.633 6.370 1.00 0.00 ATOM 348 CD1 PHE 47 8.249 9.014 6.517 1.00 0.00 ATOM 349 CD2 PHE 47 8.766 7.079 5.133 1.00 0.00 ATOM 350 CE1 PHE 47 8.296 9.784 5.372 1.00 0.00 ATOM 351 CE2 PHE 47 8.805 7.916 3.996 1.00 0.00 ATOM 352 CZ PHE 47 8.588 9.278 4.130 1.00 0.00 ATOM 353 O PHE 47 7.329 4.110 8.533 1.00 0.00 ATOM 354 C PHE 47 6.717 5.153 8.808 1.00 0.00 ATOM 355 N MET 48 5.781 5.206 9.761 1.00 0.00 ATOM 356 CA MET 48 5.337 3.972 10.431 1.00 0.00 ATOM 357 CB MET 48 4.402 4.301 11.596 1.00 0.00 ATOM 358 CG MET 48 5.089 4.980 12.770 1.00 0.00 ATOM 359 SD MET 48 6.387 3.963 13.499 1.00 0.00 ATOM 360 CE MET 48 5.416 2.645 14.227 1.00 0.00 ATOM 361 O MET 48 4.796 1.859 9.453 1.00 0.00 ATOM 362 C MET 48 4.610 3.083 9.424 1.00 0.00 ATOM 363 N ARG 49 3.792 3.709 8.575 1.00 0.00 ATOM 364 CA ARG 49 3.046 2.918 7.586 1.00 0.00 ATOM 365 CB ARG 49 2.087 3.815 6.802 1.00 0.00 ATOM 366 CG ARG 49 1.018 4.478 7.655 1.00 0.00 ATOM 367 CD ARG 49 0.076 3.450 8.257 1.00 0.00 ATOM 368 NE ARG 49 -1.025 4.074 8.986 1.00 0.00 ATOM 369 CZ ARG 49 -1.892 3.411 9.743 1.00 0.00 ATOM 370 NH1 ARG 49 -2.860 4.065 10.370 1.00 0.00 ATOM 371 NH2 ARG 49 -1.788 2.096 9.873 1.00 0.00 ATOM 372 O ARG 49 3.760 1.089 6.190 1.00 0.00 ATOM 373 C ARG 49 3.998 2.248 6.609 1.00 0.00 ATOM 374 N PHE 50 5.120 2.931 6.182 1.00 0.00 ATOM 375 CA PHE 50 6.071 2.298 5.286 1.00 0.00 ATOM 376 CB PHE 50 7.111 3.295 4.808 1.00 0.00 ATOM 377 CG PHE 50 8.072 2.740 3.814 1.00 0.00 ATOM 378 CD1 PHE 50 7.652 2.482 2.508 1.00 0.00 ATOM 379 CD2 PHE 50 9.385 2.445 4.180 1.00 0.00 ATOM 380 CE1 PHE 50 8.556 1.930 1.587 1.00 0.00 ATOM 381 CE2 PHE 50 10.292 1.887 3.268 1.00 0.00 ATOM 382 CZ PHE 50 9.850 1.628 1.924 1.00 0.00 ATOM 383 O PHE 50 6.989 0.055 5.381 1.00 0.00 ATOM 384 C PHE 50 6.741 1.094 5.986 1.00 0.00 ATOM 385 N GLY 51 7.039 1.246 7.274 1.00 0.00 ATOM 386 CA GLY 51 7.650 0.113 8.027 1.00 0.00 ATOM 387 O GLY 51 7.103 -2.166 7.902 1.00 0.00 ATOM 388 C GLY 51 6.669 -1.033 8.067 1.00 0.00 ATOM 389 N ILE 52 5.386 -0.732 8.292 1.00 0.00 ATOM 390 CA ILE 52 4.400 -1.825 8.319 1.00 0.00 ATOM 391 CB ILE 52 2.979 -1.298 8.592 1.00 0.00 ATOM 392 CG1 ILE 52 2.878 -0.746 10.016 1.00 0.00 ATOM 393 CG2 ILE 52 1.957 -2.414 8.433 1.00 0.00 ATOM 394 CD1 ILE 52 1.606 0.030 10.279 1.00 0.00 ATOM 395 O ILE 52 4.356 -3.816 6.973 1.00 0.00 ATOM 396 C ILE 52 4.375 -2.584 6.992 1.00 0.00 ATOM 397 N LEU 53 4.376 -1.844 5.871 1.00 0.00 ATOM 398 CA LEU 53 4.364 -2.468 4.548 1.00 0.00 ATOM 399 CB LEU 53 4.332 -1.399 3.464 1.00 0.00 ATOM 400 CG LEU 53 4.495 -1.881 2.018 1.00 0.00 ATOM 401 CD1 LEU 53 3.274 -2.674 1.589 1.00 0.00 ATOM 402 CD2 LEU 53 4.684 -0.674 1.111 1.00 0.00 ATOM 403 O LEU 53 5.497 -4.480 3.893 1.00 0.00 ATOM 404 C LEU 53 5.597 -3.367 4.411 1.00 0.00 ATOM 405 N GLN 54 6.754 -2.881 4.861 1.00 0.00 ATOM 406 CA GLN 54 7.982 -3.675 4.767 1.00 0.00 ATOM 407 CB GLN 54 9.186 -2.856 5.270 1.00 0.00 ATOM 408 CG GLN 54 10.504 -3.629 5.202 1.00 0.00 ATOM 409 CD GLN 54 10.890 -3.994 3.782 1.00 0.00 ATOM 410 OE1 GLN 54 11.415 -3.164 3.041 1.00 0.00 ATOM 411 NE2 GLN 54 10.625 -5.249 3.393 1.00 0.00 ATOM 412 O GLN 54 8.368 -5.984 5.188 1.00 0.00 ATOM 413 C GLN 54 7.928 -4.925 5.634 1.00 0.00 ATOM 414 N ASP 55 7.388 -4.780 6.832 1.00 0.00 ATOM 415 CA ASP 55 7.266 -5.901 7.788 1.00 0.00 ATOM 416 CB ASP 55 6.575 -5.436 9.071 1.00 0.00 ATOM 417 CG ASP 55 7.468 -4.562 9.929 1.00 0.00 ATOM 418 OD1 ASP 55 8.686 -4.510 9.658 1.00 0.00 ATOM 419 OD2 ASP 55 6.951 -3.930 10.873 1.00 0.00 ATOM 420 O ASP 55 6.821 -8.194 7.230 1.00 0.00 ATOM 421 C ASP 55 6.434 -7.010 7.148 1.00 0.00 ATOM 422 N GLN 56 5.310 -6.675 6.580 1.00 0.00 ATOM 423 CA GLN 56 4.391 -7.693 5.997 1.00 0.00 ATOM 424 CB GLN 56 2.987 -7.079 5.924 1.00 0.00 ATOM 425 CG GLN 56 2.362 -6.871 7.340 1.00 0.00 ATOM 426 CD GLN 56 2.180 -8.163 8.074 1.00 0.00 ATOM 427 OE1 GLN 56 1.755 -9.199 7.610 1.00 0.00 ATOM 428 NE2 GLN 56 2.713 -8.383 9.295 1.00 0.00 ATOM 429 O GLN 56 4.660 -9.472 4.422 1.00 0.00 ATOM 430 C GLN 56 4.919 -8.289 4.705 1.00 0.00 ATOM 431 N VAL 57 5.630 -7.497 3.884 1.00 0.00 ATOM 432 CA VAL 57 6.184 -8.064 2.641 1.00 0.00 ATOM 433 CB VAL 57 6.970 -7.009 1.839 1.00 0.00 ATOM 434 CG1 VAL 57 7.687 -7.658 0.665 1.00 0.00 ATOM 435 CG2 VAL 57 6.031 -5.942 1.299 1.00 0.00 ATOM 436 O VAL 57 7.126 -10.267 2.343 1.00 0.00 ATOM 437 C VAL 57 7.120 -9.218 3.008 1.00 0.00 ATOM 438 N ASP 58 7.912 -9.045 4.041 1.00 0.00 ATOM 439 CA ASP 58 8.864 -10.091 4.489 1.00 0.00 ATOM 440 CB ASP 58 9.772 -9.553 5.597 1.00 0.00 ATOM 441 CG ASP 58 10.805 -8.573 5.077 1.00 0.00 ATOM 442 OD1 ASP 58 10.984 -8.495 3.844 1.00 0.00 ATOM 443 OD2 ASP 58 11.436 -7.881 5.905 1.00 0.00 ATOM 444 O ASP 58 8.504 -12.443 4.799 1.00 0.00 ATOM 445 C ASP 58 8.103 -11.302 5.027 1.00 0.00 ATOM 446 N LEU 59 6.991 -11.077 5.765 1.00 0.00 ATOM 447 CA LEU 59 6.191 -12.179 6.298 1.00 0.00 ATOM 448 CB LEU 59 5.036 -11.661 7.145 1.00 0.00 ATOM 449 CG LEU 59 4.167 -12.742 7.795 1.00 0.00 ATOM 450 CD1 LEU 59 5.035 -13.652 8.653 1.00 0.00 ATOM 451 CD2 LEU 59 3.088 -12.090 8.650 1.00 0.00 ATOM 452 O LEU 59 5.588 -14.228 5.136 1.00 0.00 ATOM 453 C LEU 59 5.644 -13.005 5.078 1.00 0.00 ATOM 454 N LEU 60 5.217 -12.310 4.044 1.00 0.00 ATOM 455 CA LEU 60 4.700 -13.006 2.865 1.00 0.00 ATOM 456 CB LEU 60 4.178 -12.013 1.825 1.00 0.00 ATOM 457 CG LEU 60 2.924 -11.225 2.209 1.00 0.00 ATOM 458 CD1 LEU 60 2.624 -10.153 1.172 1.00 0.00 ATOM 459 CD2 LEU 60 1.718 -12.145 2.304 1.00 0.00 ATOM 460 O LEU 60 5.473 -14.996 1.840 1.00 0.00 ATOM 461 C LEU 60 5.789 -13.869 2.220 1.00 0.00 ATOM 462 N LEU 61 6.980 -13.365 2.108 1.00 0.00 ATOM 463 CA LEU 61 8.066 -14.120 1.464 1.00 0.00 ATOM 464 CB LEU 61 9.345 -13.283 1.418 1.00 0.00 ATOM 465 CG LEU 61 9.334 -12.076 0.475 1.00 0.00 ATOM 466 CD1 LEU 61 10.588 -11.237 0.662 1.00 0.00 ATOM 467 CD2 LEU 61 9.276 -12.529 -0.976 1.00 0.00 ATOM 468 O LEU 61 8.668 -16.386 1.554 1.00 0.00 ATOM 469 C LEU 61 8.390 -15.389 2.184 1.00 0.00 ATOM 470 N LYS 62 8.371 -15.367 3.579 1.00 0.00 ATOM 471 CA LYS 62 8.689 -16.566 4.332 1.00 0.00 ATOM 472 CB LYS 62 9.451 -16.210 5.608 1.00 0.00 ATOM 473 CG LYS 62 10.808 -15.568 5.364 1.00 0.00 ATOM 474 CD LYS 62 11.513 -15.250 6.672 1.00 0.00 ATOM 475 CE LYS 62 12.843 -14.556 6.429 1.00 0.00 ATOM 476 NZ LYS 62 13.565 -14.279 7.701 1.00 0.00 ATOM 477 O LYS 62 7.734 -18.366 5.542 1.00 0.00 ATOM 478 C LYS 62 7.502 -17.388 4.787 1.00 0.00 ATOM 479 N ALA 63 6.292 -17.050 4.437 1.00 0.00 ATOM 480 CA ALA 63 5.077 -17.719 4.845 1.00 0.00 ATOM 481 CB ALA 63 3.861 -17.011 4.265 1.00 0.00 ATOM 482 O ALA 63 5.394 -19.543 3.302 1.00 0.00 ATOM 483 C ALA 63 4.967 -19.183 4.401 1.00 0.00 ATOM 484 N SER 64 4.344 -19.909 5.321 1.00 0.00 ATOM 485 CA SER 64 4.097 -21.337 5.201 1.00 0.00 ATOM 486 CB SER 64 4.427 -22.050 6.513 1.00 0.00 ATOM 487 OG SER 64 3.580 -21.610 7.560 1.00 0.00 ATOM 488 O SER 64 2.439 -22.738 4.178 1.00 0.00 ATOM 489 C SER 64 2.665 -21.705 4.809 1.00 0.00 ATOM 490 N ASP 65 1.705 -20.829 5.078 1.00 0.00 ATOM 491 CA ASP 65 0.313 -21.119 4.747 1.00 0.00 ATOM 492 CB ASP 65 -0.467 -21.408 6.031 1.00 0.00 ATOM 493 CG ASP 65 -0.622 -20.180 6.907 1.00 0.00 ATOM 494 OD1 ASP 65 -0.281 -19.072 6.443 1.00 0.00 ATOM 495 OD2 ASP 65 -1.084 -20.326 8.058 1.00 0.00 ATOM 496 O ASP 65 0.236 -19.063 3.545 1.00 0.00 ATOM 497 C ASP 65 -0.391 -20.017 4.008 1.00 0.00 ATOM 498 N SER 66 -1.779 -20.127 3.987 1.00 0.00 ATOM 499 CA SER 66 -2.609 -19.162 3.345 1.00 0.00 ATOM 500 CB SER 66 -3.870 -19.824 2.788 1.00 0.00 ATOM 501 OG SER 66 -3.545 -20.827 1.841 1.00 0.00 ATOM 502 O SER 66 -3.152 -16.915 3.978 1.00 0.00 ATOM 503 C SER 66 -3.007 -18.082 4.345 1.00 0.00 ATOM 504 N ILE 67 -3.243 -18.458 5.607 1.00 0.00 ATOM 505 CA ILE 67 -3.609 -17.512 6.655 1.00 0.00 ATOM 506 CB ILE 67 -3.852 -18.141 8.040 1.00 0.00 ATOM 507 CG1 ILE 67 -5.097 -19.032 8.010 1.00 0.00 ATOM 508 CG2 ILE 67 -4.061 -17.058 9.088 1.00 0.00 ATOM 509 CD1 ILE 67 -5.260 -19.894 9.242 1.00 0.00 ATOM 510 O ILE 67 -2.831 -15.228 6.966 1.00 0.00 ATOM 511 C ILE 67 -2.536 -16.455 6.844 1.00 0.00 ATOM 512 N GLU 68 -1.271 -16.860 6.884 1.00 0.00 ATOM 513 CA GLU 68 -0.160 -15.934 7.049 1.00 0.00 ATOM 514 CB GLU 68 1.166 -16.694 7.122 1.00 0.00 ATOM 515 CG GLU 68 1.361 -17.480 8.409 1.00 0.00 ATOM 516 CD GLU 68 2.626 -18.317 8.394 1.00 0.00 ATOM 517 OE1 GLU 68 3.310 -18.340 7.349 1.00 0.00 ATOM 518 OE2 GLU 68 2.931 -18.949 9.426 1.00 0.00 ATOM 519 O GLU 68 0.005 -13.736 6.096 1.00 0.00 ATOM 520 C GLU 68 -0.125 -14.943 5.891 1.00 0.00 ATOM 521 N ALA 69 -0.261 -15.436 4.649 1.00 0.00 ATOM 522 CA ALA 69 -0.235 -14.582 3.471 1.00 0.00 ATOM 523 CB ALA 69 -0.253 -15.389 2.201 1.00 0.00 ATOM 524 O ALA 69 -1.324 -12.468 3.132 1.00 0.00 ATOM 525 C ALA 69 -1.452 -13.653 3.434 1.00 0.00 ATOM 526 N SER 70 -2.640 -14.184 3.705 1.00 0.00 ATOM 527 CA SER 70 -3.851 -13.368 3.686 1.00 0.00 ATOM 528 CB SER 70 -5.074 -14.229 4.008 1.00 0.00 ATOM 529 OG SER 70 -5.329 -15.161 2.970 1.00 0.00 ATOM 530 O SER 70 -4.142 -11.113 4.462 1.00 0.00 ATOM 531 C SER 70 -3.799 -12.261 4.740 1.00 0.00 ATOM 532 N GLN 71 -3.359 -12.608 5.964 1.00 0.00 ATOM 533 CA GLN 71 -3.270 -11.640 7.052 1.00 0.00 ATOM 534 CB GLN 71 -2.856 -12.326 8.348 1.00 0.00 ATOM 535 CG GLN 71 -3.951 -13.164 8.988 1.00 0.00 ATOM 536 CD GLN 71 -5.053 -12.310 9.595 1.00 0.00 ATOM 537 OE1 GLN 71 -4.781 -11.388 10.362 1.00 0.00 ATOM 538 NE2 GLN 71 -6.303 -12.619 9.260 1.00 0.00 ATOM 539 O GLN 71 -2.523 -9.364 6.932 1.00 0.00 ATOM 540 C GLN 71 -2.258 -10.551 6.717 1.00 0.00 ATOM 541 N ALA 72 -1.105 -10.944 6.181 1.00 0.00 ATOM 542 CA ALA 72 -0.071 -9.980 5.827 1.00 0.00 ATOM 543 CB ALA 72 1.154 -10.721 5.277 1.00 0.00 ATOM 544 O ALA 72 -0.339 -7.811 4.848 1.00 0.00 ATOM 545 C ALA 72 -0.566 -9.033 4.750 1.00 0.00 ATOM 546 N VAL 73 -1.171 -9.541 3.677 1.00 0.00 ATOM 547 CA VAL 73 -1.690 -8.679 2.600 1.00 0.00 ATOM 548 CB VAL 73 -2.299 -9.510 1.456 1.00 0.00 ATOM 549 CG1 VAL 73 -3.003 -8.605 0.455 1.00 0.00 ATOM 550 CG2 VAL 73 -1.215 -10.284 0.722 1.00 0.00 ATOM 551 O VAL 73 -2.825 -6.574 2.769 1.00 0.00 ATOM 552 C VAL 73 -2.760 -7.742 3.149 1.00 0.00 ATOM 553 N ALA 74 -3.615 -8.247 4.075 1.00 0.00 ATOM 554 CA ALA 74 -4.673 -7.440 4.670 1.00 0.00 ATOM 555 CB ALA 74 -5.459 -8.288 5.658 1.00 0.00 ATOM 556 O ALA 74 -4.660 -5.142 5.362 1.00 0.00 ATOM 557 C ALA 74 -4.106 -6.240 5.426 1.00 0.00 ATOM 558 N LEU 75 -3.041 -6.467 6.168 1.00 0.00 ATOM 559 CA LEU 75 -2.420 -5.386 6.929 1.00 0.00 ATOM 560 CB LEU 75 -1.264 -5.916 7.790 1.00 0.00 ATOM 561 CG LEU 75 -1.657 -6.566 9.120 1.00 0.00 ATOM 562 CD1 LEU 75 -0.460 -7.299 9.713 1.00 0.00 ATOM 563 CD2 LEU 75 -2.155 -5.495 10.085 1.00 0.00 ATOM 564 O LEU 75 -2.059 -3.123 6.223 1.00 0.00 ATOM 565 C LEU 75 -1.891 -4.316 5.979 1.00 0.00 ATOM 566 N ILE 76 -1.266 -4.747 4.889 1.00 0.00 ATOM 567 CA ILE 76 -0.719 -3.821 3.901 1.00 0.00 ATOM 568 CB ILE 76 0.142 -4.489 2.891 1.00 0.00 ATOM 569 CG1 ILE 76 1.474 -4.839 3.564 1.00 0.00 ATOM 570 CG2 ILE 76 0.381 -3.566 1.717 1.00 0.00 ATOM 571 CD1 ILE 76 2.262 -5.926 2.886 1.00 0.00 ATOM 572 O ILE 76 -1.835 -1.932 2.895 1.00 0.00 ATOM 573 C ILE 76 -1.860 -3.142 3.138 1.00 0.00 ATOM 574 N ALA 77 -2.874 -3.920 2.779 1.00 0.00 ATOM 575 CA ALA 77 -4.028 -3.381 2.060 1.00 0.00 ATOM 576 CB ALA 77 -4.989 -4.511 1.706 1.00 0.00 ATOM 577 O ALA 77 -5.095 -1.241 2.354 1.00 0.00 ATOM 578 C ALA 77 -4.762 -2.308 2.873 1.00 0.00 ATOM 579 N ARG 78 -4.994 -2.579 4.152 1.00 0.00 ATOM 580 CA ARG 78 -5.693 -1.638 5.019 1.00 0.00 ATOM 581 CB ARG 78 -6.301 -2.383 6.226 1.00 0.00 ATOM 582 CG ARG 78 -7.419 -3.324 5.839 1.00 0.00 ATOM 583 CD ARG 78 -7.822 -4.307 6.911 1.00 0.00 ATOM 584 NE ARG 78 -9.060 -4.992 6.567 1.00 0.00 ATOM 585 CZ ARG 78 -9.656 -5.912 7.317 1.00 0.00 ATOM 586 NH1 ARG 78 -9.101 -6.357 8.425 1.00 0.00 ATOM 587 NH2 ARG 78 -10.825 -6.417 6.936 1.00 0.00 ATOM 588 O ARG 78 -5.327 0.696 5.455 1.00 0.00 ATOM 589 C ARG 78 -4.842 -0.440 5.449 1.00 0.00 ATOM 590 N MET 79 -3.577 -0.728 5.790 1.00 0.00 ATOM 591 CA MET 79 -2.658 0.303 6.288 1.00 0.00 ATOM 592 CB MET 79 -1.344 -0.327 6.790 1.00 0.00 ATOM 593 CG MET 79 -1.554 -1.159 8.048 1.00 0.00 ATOM 594 SD MET 79 -2.047 -0.206 9.472 1.00 0.00 ATOM 595 CE MET 79 -3.792 -0.411 9.496 1.00 0.00 ATOM 596 O MET 79 -2.197 2.533 5.484 1.00 0.00 ATOM 597 C MET 79 -2.316 1.328 5.221 1.00 0.00 ATOM 598 N ASP 80 -2.213 0.932 3.899 1.00 0.00 ATOM 599 CA ASP 80 -1.926 1.856 2.806 1.00 0.00 ATOM 600 CB ASP 80 -1.678 1.097 1.518 1.00 0.00 ATOM 601 CG ASP 80 -0.318 0.374 1.505 1.00 0.00 ATOM 602 OD1 ASP 80 0.554 0.643 2.360 1.00 0.00 ATOM 603 OD2 ASP 80 -0.053 -0.502 0.627 1.00 0.00 ATOM 604 O ASP 80 -2.897 4.044 2.479 1.00 0.00 ATOM 605 C ASP 80 -3.091 2.807 2.667 1.00 0.00 ATOM 606 N GLU 81 -4.312 2.352 2.746 1.00 0.00 ATOM 607 CA GLU 81 -5.493 3.201 2.617 1.00 0.00 ATOM 608 CB GLU 81 -6.764 2.348 2.574 1.00 0.00 ATOM 609 CG GLU 81 -6.918 1.530 1.302 1.00 0.00 ATOM 610 CD GLU 81 -8.138 0.631 1.333 1.00 0.00 ATOM 611 OE1 GLU 81 -8.826 0.600 2.375 1.00 0.00 ATOM 612 OE2 GLU 81 -8.405 -0.044 0.316 1.00 0.00 ATOM 613 O GLU 81 -5.878 5.328 3.597 1.00 0.00 ATOM 614 C GLU 81 -5.540 4.148 3.803 1.00 0.00 ATOM 615 N GLU 82 -5.213 3.717 5.018 1.00 0.00 ATOM 616 CA GLU 82 -5.196 4.585 6.186 1.00 0.00 ATOM 617 CB GLU 82 -5.045 3.775 7.468 1.00 0.00 ATOM 618 CG GLU 82 -6.017 2.605 7.582 1.00 0.00 ATOM 619 CD GLU 82 -6.116 2.023 8.984 1.00 0.00 ATOM 620 OE1 GLU 82 -5.337 2.452 9.868 1.00 0.00 ATOM 621 OE2 GLU 82 -6.964 1.130 9.230 1.00 0.00 ATOM 622 O GLU 82 -4.327 6.821 6.335 1.00 0.00 ATOM 623 C GLU 82 -4.117 5.652 6.012 1.00 0.00 ATOM 624 N ARG 83 -2.934 5.253 5.524 1.00 0.00 ATOM 625 CA ARG 83 -1.851 6.210 5.330 1.00 0.00 ATOM 626 CB ARG 83 -0.601 5.452 4.849 1.00 0.00 ATOM 627 CG ARG 83 0.688 6.194 5.111 1.00 0.00 ATOM 628 CD ARG 83 1.738 5.759 4.131 1.00 0.00 ATOM 629 NE ARG 83 3.089 6.131 4.557 1.00 0.00 ATOM 630 CZ ARG 83 4.200 5.793 3.896 1.00 0.00 ATOM 631 NH1 ARG 83 4.129 5.086 2.765 1.00 0.00 ATOM 632 NH2 ARG 83 5.390 6.165 4.364 1.00 0.00 ATOM 633 O ARG 83 -1.682 8.424 4.415 1.00 0.00 ATOM 634 C ARG 83 -2.172 7.283 4.277 1.00 0.00 ATOM 635 N LYS 84 -2.930 6.872 3.294 1.00 0.00 ATOM 636 CA LYS 84 -3.306 7.778 2.167 1.00 0.00 ATOM 637 CB LYS 84 -4.266 7.070 1.209 1.00 0.00 ATOM 638 CG LYS 84 -4.668 7.904 0.005 1.00 0.00 ATOM 639 CD LYS 84 -5.551 7.112 -0.947 1.00 0.00 ATOM 640 CE LYS 84 -5.936 7.940 -2.161 1.00 0.00 ATOM 641 NZ LYS 84 -6.800 7.176 -3.103 1.00 0.00 ATOM 642 O LYS 84 -3.860 10.091 1.936 1.00 0.00 ATOM 643 C LYS 84 -3.984 9.053 2.623 1.00 0.00 ATOM 644 N LYS 85 -4.687 9.051 3.745 1.00 0.00 ATOM 645 CA LYS 85 -5.402 10.242 4.248 1.00 0.00 ATOM 646 CB LYS 85 -6.469 9.833 5.264 1.00 0.00 ATOM 647 CG LYS 85 -7.600 9.003 4.677 1.00 0.00 ATOM 648 CD LYS 85 -8.619 8.626 5.741 1.00 0.00 ATOM 649 CE LYS 85 -9.752 7.803 5.152 1.00 0.00 ATOM 650 NZ LYS 85 -10.738 7.393 6.190 1.00 0.00 ATOM 651 O LYS 85 -4.889 12.334 5.268 1.00 0.00 ATOM 652 C LYS 85 -4.458 11.224 4.928 1.00 0.00 ATOM 653 N TYR 86 -3.150 10.759 5.340 1.00 0.00 ATOM 654 CA TYR 86 -2.339 11.634 6.179 1.00 0.00 ATOM 655 CB TYR 86 -1.291 10.822 6.942 1.00 0.00 ATOM 656 CG TYR 86 -1.876 9.885 7.973 1.00 0.00 ATOM 657 CD1 TYR 86 -2.095 8.546 7.675 1.00 0.00 ATOM 658 CD2 TYR 86 -2.207 10.340 9.243 1.00 0.00 ATOM 659 CE1 TYR 86 -2.627 7.681 8.611 1.00 0.00 ATOM 660 CE2 TYR 86 -2.741 9.489 10.193 1.00 0.00 ATOM 661 CZ TYR 86 -2.950 8.150 9.866 1.00 0.00 ATOM 662 OH TYR 86 -3.483 7.292 10.801 1.00 0.00 ATOM 663 O TYR 86 -1.004 12.295 4.296 1.00 0.00 ATOM 664 C TYR 86 -1.441 12.594 5.412 1.00 0.00 ATOM 665 N VAL 87 -1.120 13.714 6.062 1.00 0.00 ATOM 666 CA VAL 87 -0.194 14.675 5.482 1.00 0.00 ATOM 667 CB VAL 87 -0.652 16.073 5.935 1.00 0.00 ATOM 668 CG1 VAL 87 0.246 17.147 5.342 1.00 0.00 ATOM 669 CG2 VAL 87 -2.081 16.338 5.483 1.00 0.00 ATOM 670 O VAL 87 1.428 14.485 7.201 1.00 0.00 ATOM 671 C VAL 87 1.212 14.378 5.976 1.00 0.00 ATOM 672 N ALA 88 2.118 14.053 5.096 1.00 0.00 ATOM 673 CA ALA 88 3.498 13.753 5.527 1.00 0.00 ATOM 674 CB ALA 88 4.284 13.123 4.388 1.00 0.00 ATOM 675 O ALA 88 3.666 16.152 5.771 1.00 0.00 ATOM 676 C ALA 88 4.121 15.051 6.048 1.00 0.00 ATOM 677 N SER 89 5.200 14.898 6.858 1.00 0.00 ATOM 678 CA SER 89 5.865 16.069 7.420 1.00 0.00 ATOM 679 CB SER 89 7.084 15.644 8.238 1.00 0.00 ATOM 680 OG SER 89 7.719 16.770 8.820 1.00 0.00 ATOM 681 O SER 89 6.210 18.225 6.417 1.00 0.00 ATOM 682 C SER 89 6.393 16.992 6.336 1.00 0.00 ATOM 683 N TYR 90 7.040 16.446 5.219 1.00 0.00 ATOM 684 CA TYR 90 7.606 17.214 4.108 1.00 0.00 ATOM 685 CB TYR 90 8.418 16.237 3.216 1.00 0.00 ATOM 686 CG TYR 90 9.690 15.774 3.952 1.00 0.00 ATOM 687 CD1 TYR 90 10.812 16.602 3.946 1.00 0.00 ATOM 688 CD2 TYR 90 9.733 14.594 4.698 1.00 0.00 ATOM 689 CE1 TYR 90 11.981 16.260 4.638 1.00 0.00 ATOM 690 CE2 TYR 90 10.900 14.225 5.374 1.00 0.00 ATOM 691 CZ TYR 90 12.045 15.033 5.308 1.00 0.00 ATOM 692 OH TYR 90 13.226 14.689 5.958 1.00 0.00 ATOM 693 O TYR 90 7.034 18.881 2.528 1.00 0.00 ATOM 694 C TYR 90 6.576 17.984 3.286 1.00 0.00 ATOM 695 N LEU 91 5.312 17.649 3.359 1.00 0.00 ATOM 696 CA LEU 91 4.318 18.356 2.550 1.00 0.00 ATOM 697 CB LEU 91 3.620 17.386 1.563 1.00 0.00 ATOM 698 CG LEU 91 4.536 16.683 0.539 1.00 0.00 ATOM 699 CD1 LEU 91 3.701 15.912 -0.492 1.00 0.00 ATOM 700 CD2 LEU 91 5.417 17.726 -0.175 1.00 0.00 ATOM 701 O LEU 91 2.233 19.480 2.975 1.00 0.00 ATOM 702 C LEU 91 3.310 19.107 3.420 1.00 0.00 ATOM 703 N GLY 92 3.722 19.383 4.674 1.00 0.00 ATOM 704 CA GLY 92 2.808 20.131 5.556 1.00 0.00 ATOM 705 O GLY 92 1.426 22.083 5.572 1.00 0.00 ATOM 706 C GLY 92 2.470 21.552 5.151 1.00 0.00 ATOM 707 N VAL 93 3.327 22.176 4.386 1.00 0.00 ATOM 708 CA VAL 93 3.137 23.573 3.952 1.00 0.00 ATOM 709 CB VAL 93 4.471 24.340 3.937 1.00 0.00 ATOM 710 CG1 VAL 93 5.073 24.390 5.333 1.00 0.00 ATOM 711 CG2 VAL 93 5.467 23.659 3.009 1.00 0.00 ATOM 712 O VAL 93 2.242 24.837 2.099 1.00 0.00 ATOM 713 C VAL 93 2.486 23.725 2.573 1.00 0.00 ATOM 714 N ILE 94 2.207 22.563 1.929 1.00 0.00 ATOM 715 CA ILE 94 1.573 22.553 0.623 1.00 0.00 ATOM 716 CB ILE 94 2.150 21.420 -0.245 1.00 0.00 ATOM 717 CG1 ILE 94 1.845 20.058 0.383 1.00 0.00 ATOM 718 CG2 ILE 94 3.659 21.563 -0.374 1.00 0.00 ATOM 719 CD1 ILE 94 2.177 18.885 -0.513 1.00 0.00 ATOM 720 O ILE 94 -0.255 21.952 1.968 1.00 0.00 ATOM 721 C ILE 94 0.071 22.364 0.843 1.00 0.00 ATOM 722 N MET 95 -0.719 22.658 -0.170 1.00 0.00 ATOM 723 CA MET 95 -2.177 22.485 0.050 1.00 0.00 ATOM 724 CB MET 95 -2.977 23.247 -1.007 1.00 0.00 ATOM 725 CG MET 95 -2.779 24.754 -0.969 1.00 0.00 ATOM 726 SD MET 95 -3.327 25.489 0.582 1.00 0.00 ATOM 727 CE MET 95 -5.101 25.267 0.453 1.00 0.00 ATOM 728 O MET 95 -1.799 20.209 -0.807 1.00 0.00 ATOM 729 C MET 95 -2.472 20.975 -0.081 1.00 0.00 ATOM 730 N ALA 96 -3.484 20.552 0.652 1.00 0.00 ATOM 731 CA ALA 96 -3.932 19.167 0.650 1.00 0.00 ATOM 732 CB ALA 96 -5.161 19.005 1.531 1.00 0.00 ATOM 733 O ALA 96 -4.121 17.475 -1.040 1.00 0.00 ATOM 734 C ALA 96 -4.290 18.656 -0.744 1.00 0.00 ATOM 735 N SER 97 -4.724 19.540 -1.615 1.00 0.00 ATOM 736 CA SER 97 -5.099 19.144 -2.976 1.00 0.00 ATOM 737 CB SER 97 -6.398 19.839 -3.391 1.00 0.00 ATOM 738 OG SER 97 -6.247 21.247 -3.386 1.00 0.00 ATOM 739 O SER 97 -4.418 19.494 -5.234 1.00 0.00 ATOM 740 C SER 97 -4.060 19.490 -4.039 1.00 0.00 ATOM 741 N ASP 98 -2.851 19.750 -3.603 1.00 0.00 ATOM 742 CA ASP 98 -1.767 20.078 -4.555 1.00 0.00 ATOM 743 CB ASP 98 -0.552 20.636 -3.811 1.00 0.00 ATOM 744 CG ASP 98 0.341 21.476 -4.704 1.00 0.00 ATOM 745 OD1 ASP 98 0.055 21.567 -5.916 1.00 0.00 ATOM 746 OD2 ASP 98 1.328 22.044 -4.190 1.00 0.00 ATOM 747 O ASP 98 -1.781 17.678 -4.835 1.00 0.00 ATOM 748 C ASP 98 -1.377 18.763 -5.241 1.00 0.00 ATOM 749 N GLY 99 -0.543 18.813 -6.469 1.00 0.00 ATOM 750 CA GLY 99 -0.211 17.620 -7.219 1.00 0.00 ATOM 751 O GLY 99 0.748 15.494 -6.580 1.00 0.00 ATOM 752 C GLY 99 0.717 16.730 -6.377 1.00 0.00 ATOM 753 N ASP 100 1.463 17.310 -5.445 1.00 0.00 ATOM 754 CA ASP 100 2.384 16.550 -4.583 1.00 0.00 ATOM 755 CB ASP 100 3.202 17.499 -3.705 1.00 0.00 ATOM 756 CG ASP 100 4.264 18.247 -4.487 1.00 0.00 ATOM 757 OD1 ASP 100 4.529 17.863 -5.646 1.00 0.00 ATOM 758 OD2 ASP 100 4.832 19.216 -3.941 1.00 0.00 ATOM 759 O ASP 100 1.885 14.418 -3.557 1.00 0.00 ATOM 760 C ASP 100 1.582 15.610 -3.672 1.00 0.00 ATOM 761 N ILE 101 0.461 16.179 -3.019 1.00 0.00 ATOM 762 CA ILE 101 -0.412 15.398 -2.153 1.00 0.00 ATOM 763 CB ILE 101 -1.532 16.290 -1.508 1.00 0.00 ATOM 764 CG1 ILE 101 -0.899 17.384 -0.631 1.00 0.00 ATOM 765 CG2 ILE 101 -2.526 15.422 -0.706 1.00 0.00 ATOM 766 CD1 ILE 101 0.028 16.866 0.472 1.00 0.00 ATOM 767 O ILE 101 -1.147 13.145 -2.447 1.00 0.00 ATOM 768 C ILE 101 -1.067 14.278 -2.958 1.00 0.00 ATOM 769 N ASP 102 -1.576 14.588 -4.137 1.00 0.00 ATOM 770 CA ASP 102 -2.200 13.531 -4.961 1.00 0.00 ATOM 771 CB ASP 102 -2.701 14.161 -6.263 1.00 0.00 ATOM 772 CG ASP 102 -3.930 15.025 -6.056 1.00 0.00 ATOM 773 OD1 ASP 102 -4.531 14.950 -4.964 1.00 0.00 ATOM 774 OD2 ASP 102 -4.291 15.777 -6.986 1.00 0.00 ATOM 775 O ASP 102 -1.527 11.253 -5.236 1.00 0.00 ATOM 776 C ASP 102 -1.175 12.436 -5.268 1.00 0.00 ATOM 777 N ASP 103 0.073 12.806 -5.556 1.00 0.00 ATOM 778 CA ASP 103 1.121 11.832 -5.863 1.00 0.00 ATOM 779 CB ASP 103 2.407 12.542 -6.293 1.00 0.00 ATOM 780 CG ASP 103 2.298 13.159 -7.674 1.00 0.00 ATOM 781 OD1 ASP 103 1.331 12.835 -8.394 1.00 0.00 ATOM 782 OD2 ASP 103 3.179 13.968 -8.033 1.00 0.00 ATOM 783 O ASP 103 1.620 9.743 -4.763 1.00 0.00 ATOM 784 C ASP 103 1.419 10.977 -4.630 1.00 0.00 ATOM 785 N ASN 104 1.481 11.605 -3.470 1.00 0.00 ATOM 786 CA ASN 104 1.732 10.882 -2.190 1.00 0.00 ATOM 787 CB ASN 104 1.698 11.855 -1.010 1.00 0.00 ATOM 788 CG ASN 104 2.033 11.185 0.308 1.00 0.00 ATOM 789 ND2 ASN 104 1.070 11.166 1.223 1.00 0.00 ATOM 790 OD1 ASN 104 3.146 10.692 0.500 1.00 0.00 ATOM 791 O ASN 104 0.910 8.643 -1.755 1.00 0.00 ATOM 792 C ASN 104 0.626 9.829 -2.034 1.00 0.00 ATOM 793 N GLU 105 -0.623 10.201 -2.233 1.00 0.00 ATOM 794 CA GLU 105 -1.747 9.265 -2.106 1.00 0.00 ATOM 795 CB GLU 105 -3.077 9.996 -2.307 1.00 0.00 ATOM 796 CG GLU 105 -3.448 10.933 -1.171 1.00 0.00 ATOM 797 CD GLU 105 -4.706 11.730 -1.460 1.00 0.00 ATOM 798 OE1 GLU 105 -5.245 11.603 -2.579 1.00 0.00 ATOM 799 OE2 GLU 105 -5.152 12.481 -0.567 1.00 0.00 ATOM 800 O GLU 105 -1.865 6.957 -2.864 1.00 0.00 ATOM 801 C GLU 105 -1.623 8.163 -3.140 1.00 0.00 ATOM 802 N LEU 106 -1.236 8.473 -4.357 1.00 0.00 ATOM 803 CA LEU 106 -1.075 7.529 -5.477 1.00 0.00 ATOM 804 CB LEU 106 -0.722 8.280 -6.763 1.00 0.00 ATOM 805 CG LEU 106 -0.646 7.439 -8.039 1.00 0.00 ATOM 806 CD1 LEU 106 -1.985 6.780 -8.329 1.00 0.00 ATOM 807 CD2 LEU 106 -0.275 8.307 -9.232 1.00 0.00 ATOM 808 O LEU 106 0.013 5.414 -5.777 1.00 0.00 ATOM 809 C LEU 106 0.046 6.522 -5.244 1.00 0.00 ATOM 810 N ALA 107 1.070 6.913 -4.443 1.00 0.00 ATOM 811 CA ALA 107 2.201 6.041 -4.139 1.00 0.00 ATOM 812 CB ALA 107 3.216 6.771 -3.273 1.00 0.00 ATOM 813 O ALA 107 2.093 3.644 -3.694 1.00 0.00 ATOM 814 C ALA 107 1.653 4.792 -3.410 1.00 0.00 ATOM 815 N LEU 108 0.659 4.961 -2.481 1.00 0.00 ATOM 816 CA LEU 108 0.105 3.822 -1.765 1.00 0.00 ATOM 817 CB LEU 108 -0.603 4.268 -0.503 1.00 0.00 ATOM 818 CG LEU 108 0.320 4.895 0.546 1.00 0.00 ATOM 819 CD1 LEU 108 -0.484 5.253 1.792 1.00 0.00 ATOM 820 CD2 LEU 108 1.443 3.923 0.892 1.00 0.00 ATOM 821 O LEU 108 -0.767 1.787 -2.553 1.00 0.00 ATOM 822 C LEU 108 -0.750 3.032 -2.734 1.00 0.00 ATOM 823 N TRP 109 -1.471 3.596 -3.667 1.00 0.00 ATOM 824 CA TRP 109 -2.222 2.802 -4.644 1.00 0.00 ATOM 825 CB TRP 109 -3.011 3.714 -5.584 1.00 0.00 ATOM 826 CG TRP 109 -3.810 2.970 -6.610 1.00 0.00 ATOM 827 CD1 TRP 109 -3.548 2.878 -7.946 1.00 0.00 ATOM 828 CD2 TRP 109 -5.005 2.212 -6.383 1.00 0.00 ATOM 829 CE2 TRP 109 -5.411 1.689 -7.627 1.00 0.00 ATOM 830 CE3 TRP 109 -5.771 1.924 -5.249 1.00 0.00 ATOM 831 NE1 TRP 109 -4.503 2.111 -8.567 1.00 0.00 ATOM 832 CZ2 TRP 109 -6.548 0.896 -7.770 1.00 0.00 ATOM 833 CZ3 TRP 109 -6.898 1.136 -5.396 1.00 0.00 ATOM 834 CH2 TRP 109 -7.277 0.631 -6.643 1.00 0.00 ATOM 835 O TRP 109 -1.602 0.756 -5.727 1.00 0.00 ATOM 836 C TRP 109 -1.252 1.936 -5.469 1.00 0.00 ATOM 837 N THR 110 -0.103 2.461 -5.836 1.00 0.00 ATOM 838 CA THR 110 0.879 1.665 -6.633 1.00 0.00 ATOM 839 CB THR 110 2.092 2.519 -7.048 1.00 0.00 ATOM 840 CG2 THR 110 3.093 1.679 -7.827 1.00 0.00 ATOM 841 OG1 THR 110 1.654 3.604 -7.874 1.00 0.00 ATOM 842 O THR 110 1.481 -0.646 -6.293 1.00 0.00 ATOM 843 C THR 110 1.376 0.481 -5.804 1.00 0.00 ATOM 844 N LEU 111 1.745 0.764 -4.555 1.00 0.00 ATOM 845 CA LEU 111 2.211 -0.243 -3.631 1.00 0.00 ATOM 846 CB LEU 111 2.563 0.349 -2.264 1.00 0.00 ATOM 847 CG LEU 111 3.800 1.248 -2.214 1.00 0.00 ATOM 848 CD1 LEU 111 3.924 1.917 -0.854 1.00 0.00 ATOM 849 CD2 LEU 111 5.064 0.436 -2.461 1.00 0.00 ATOM 850 O LEU 111 1.512 -2.527 -3.493 1.00 0.00 ATOM 851 C LEU 111 1.155 -1.314 -3.425 1.00 0.00 ATOM 852 N ILE 112 -0.101 -0.946 -3.187 1.00 0.00 ATOM 853 CA ILE 112 -1.138 -1.956 -2.980 1.00 0.00 ATOM 854 CB ILE 112 -2.452 -1.315 -2.504 1.00 0.00 ATOM 855 CG1 ILE 112 -2.248 -0.727 -1.102 1.00 0.00 ATOM 856 CG2 ILE 112 -3.566 -2.350 -2.487 1.00 0.00 ATOM 857 CD1 ILE 112 -3.427 0.087 -0.584 1.00 0.00 ATOM 858 O ILE 112 -1.512 -4.027 -4.141 1.00 0.00 ATOM 859 C ILE 112 -1.330 -2.817 -4.240 1.00 0.00 ATOM 860 N SER 113 -1.242 -2.196 -5.418 1.00 0.00 ATOM 861 CA SER 113 -1.328 -2.939 -6.685 1.00 0.00 ATOM 862 CB SER 113 -1.253 -1.987 -7.879 1.00 0.00 ATOM 863 OG SER 113 -2.350 -1.092 -7.889 1.00 0.00 ATOM 864 O SER 113 -0.428 -5.106 -7.124 1.00 0.00 ATOM 865 C SER 113 -0.194 -3.941 -6.788 1.00 0.00 ATOM 866 N THR 114 1.030 -3.579 -6.429 1.00 0.00 ATOM 867 CA THR 114 2.145 -4.523 -6.479 1.00 0.00 ATOM 868 CB THR 114 3.445 -3.779 -6.124 1.00 0.00 ATOM 869 CG2 THR 114 4.628 -4.734 -6.143 1.00 0.00 ATOM 870 OG1 THR 114 3.678 -2.735 -7.078 1.00 0.00 ATOM 871 O THR 114 2.183 -6.842 -5.858 1.00 0.00 ATOM 872 C THR 114 1.933 -5.683 -5.513 1.00 0.00 ATOM 873 N LEU 115 1.425 -5.371 -4.342 1.00 0.00 ATOM 874 CA LEU 115 1.146 -6.410 -3.356 1.00 0.00 ATOM 875 CB LEU 115 1.049 -5.657 -1.932 1.00 0.00 ATOM 876 CG LEU 115 0.610 -6.584 -0.772 1.00 0.00 ATOM 877 CD1 LEU 115 1.646 -7.701 -0.483 1.00 0.00 ATOM 878 CD2 LEU 115 0.406 -5.731 0.462 1.00 0.00 ATOM 879 O LEU 115 -0.052 -8.476 -3.257 1.00 0.00 ATOM 880 C LEU 115 0.039 -7.362 -3.793 1.00 0.00 ATOM 881 N CYS 116 -0.825 -6.988 -4.734 1.00 0.00 ATOM 882 CA CYS 116 -1.924 -7.811 -5.219 1.00 0.00 ATOM 883 CB CYS 116 -3.159 -6.951 -5.488 1.00 0.00 ATOM 884 SG CYS 116 -3.845 -6.147 -4.021 1.00 0.00 ATOM 885 O CYS 116 -2.426 -9.127 -7.150 1.00 0.00 ATOM 886 C CYS 116 -1.560 -8.527 -6.514 1.00 0.00 ATOM 887 N GLY 117 -0.299 -8.485 -6.931 1.00 0.00 ATOM 888 CA GLY 117 0.106 -9.186 -8.138 1.00 0.00 ATOM 889 O GLY 117 0.317 -8.801 -10.465 1.00 0.00 ATOM 890 C GLY 117 0.062 -8.302 -9.372 1.00 0.00 ATOM 891 N LEU 118 -0.276 -7.009 -9.255 1.00 0.00 ATOM 892 CA LEU 118 -0.316 -6.158 -10.451 1.00 0.00 ATOM 893 CB LEU 118 -1.112 -4.881 -10.173 1.00 0.00 ATOM 894 CG LEU 118 -2.596 -5.065 -9.852 1.00 0.00 ATOM 895 CD1 LEU 118 -3.235 -3.736 -9.479 1.00 0.00 ATOM 896 CD2 LEU 118 -3.340 -5.630 -11.053 1.00 0.00 ATOM 897 O LEU 118 1.869 -5.283 -9.992 1.00 0.00 ATOM 898 C LEU 118 1.108 -5.777 -10.846 1.00 0.00 ATOM 899 N PRO 119 1.509 -5.993 -12.104 1.00 0.00 ATOM 900 CA PRO 119 2.865 -5.650 -12.512 1.00 0.00 ATOM 901 CB PRO 119 2.919 -6.049 -13.988 1.00 0.00 ATOM 902 CG PRO 119 1.853 -7.081 -14.137 1.00 0.00 ATOM 903 CD PRO 119 0.736 -6.661 -13.222 1.00 0.00 ATOM 904 O PRO 119 2.252 -3.337 -12.470 1.00 0.00 ATOM 905 C PRO 119 3.132 -4.169 -12.311 1.00 0.00 ATOM 906 N THR 120 4.361 -3.841 -11.979 1.00 0.00 ATOM 907 CA THR 120 4.740 -2.445 -11.764 1.00 0.00 ATOM 908 CB THR 120 6.242 -2.288 -11.459 1.00 0.00 ATOM 909 CG2 THR 120 6.596 -0.821 -11.273 1.00 0.00 ATOM 910 OG1 THR 120 6.565 -3.000 -10.259 1.00 0.00 ATOM 911 O THR 120 4.099 -0.428 -12.891 1.00 0.00 ATOM 912 C THR 120 4.505 -1.577 -13.007 1.00 0.00 ATOM 913 N MET 121 4.710 -2.151 -14.188 1.00 0.00 ATOM 914 CA MET 121 4.500 -1.335 -15.386 1.00 0.00 ATOM 915 CB MET 121 4.441 -2.503 -16.599 1.00 0.00 ATOM 916 CG MET 121 5.086 -2.278 -17.951 1.00 0.00 ATOM 917 SD MET 121 5.162 -3.774 -18.941 1.00 0.00 ATOM 918 CE MET 121 6.681 -4.490 -18.333 1.00 0.00 ATOM 919 O MET 121 2.695 0.225 -15.860 1.00 0.00 ATOM 920 C MET 121 3.016 -0.916 -15.505 1.00 0.00 ATOM 921 N THR 122 2.128 -1.840 -15.198 1.00 0.00 ATOM 922 CA THR 122 0.688 -1.593 -15.280 1.00 0.00 ATOM 923 CB THR 122 -0.166 -2.875 -15.291 1.00 0.00 ATOM 924 CG2 THR 122 0.222 -3.763 -16.464 1.00 0.00 ATOM 925 OG1 THR 122 0.040 -3.599 -14.073 1.00 0.00 ATOM 926 O THR 122 -0.549 0.264 -14.409 1.00 0.00 ATOM 927 C THR 122 0.271 -0.624 -14.170 1.00 0.00 ATOM 928 N VAL 123 0.893 -0.757 -13.018 1.00 0.00 ATOM 929 CA VAL 123 0.680 0.215 -11.929 1.00 0.00 ATOM 930 CB VAL 123 1.413 -0.178 -10.633 1.00 0.00 ATOM 931 CG1 VAL 123 1.195 0.876 -9.557 1.00 0.00 ATOM 932 CG2 VAL 123 0.894 -1.511 -10.112 1.00 0.00 ATOM 933 O VAL 123 0.363 2.587 -12.131 1.00 0.00 ATOM 934 C VAL 123 1.115 1.622 -12.318 1.00 0.00 ATOM 935 N MET 124 2.310 1.741 -12.873 1.00 0.00 ATOM 936 CA MET 124 2.817 3.050 -13.267 1.00 0.00 ATOM 937 CB MET 124 4.288 2.973 -13.681 1.00 0.00 ATOM 938 CG MET 124 5.232 2.598 -12.550 1.00 0.00 ATOM 939 SD MET 124 6.945 2.451 -13.094 1.00 0.00 ATOM 940 CE MET 124 7.345 4.166 -13.419 1.00 0.00 ATOM 941 O MET 124 1.750 4.911 -14.334 1.00 0.00 ATOM 942 C MET 124 2.001 3.710 -14.377 1.00 0.00 ATOM 943 N GLU 125 1.607 2.931 -15.347 1.00 0.00 ATOM 944 CA GLU 125 0.817 3.462 -16.459 1.00 0.00 ATOM 945 CB GLU 125 0.654 2.411 -17.559 1.00 0.00 ATOM 946 CG GLU 125 1.943 2.076 -18.293 1.00 0.00 ATOM 947 CD GLU 125 1.769 0.946 -19.289 1.00 0.00 ATOM 948 OE1 GLU 125 0.660 0.376 -19.353 1.00 0.00 ATOM 949 OE2 GLU 125 2.743 0.630 -20.004 1.00 0.00 ATOM 950 O GLU 125 -1.079 4.917 -16.381 1.00 0.00 ATOM 951 C GLU 125 -0.568 3.873 -15.982 1.00 0.00 ATOM 952 N ALA 126 -1.150 3.062 -15.126 1.00 0.00 ATOM 953 CA ALA 126 -2.477 3.362 -14.602 1.00 0.00 ATOM 954 CB ALA 126 -2.978 2.218 -13.735 1.00 0.00 ATOM 955 O ALA 126 -3.438 5.430 -13.791 1.00 0.00 ATOM 956 C ALA 126 -2.480 4.636 -13.753 1.00 0.00 ATOM 957 N ILE 127 -1.428 4.817 -12.991 1.00 0.00 ATOM 958 CA ILE 127 -1.314 5.957 -12.090 1.00 0.00 ATOM 959 CB ILE 127 -0.149 5.764 -11.105 1.00 0.00 ATOM 960 CG1 ILE 127 -0.458 4.642 -10.111 1.00 0.00 ATOM 961 CG2 ILE 127 0.197 7.074 -10.415 1.00 0.00 ATOM 962 CD1 ILE 127 0.710 4.249 -9.233 1.00 0.00 ATOM 963 O ILE 127 -1.870 8.219 -12.648 1.00 0.00 ATOM 964 C ILE 127 -1.156 7.239 -12.883 1.00 0.00 ATOM 965 N ASN 128 -0.247 7.233 -13.842 1.00 0.00 ATOM 966 CA ASN 128 -0.112 8.399 -14.682 1.00 0.00 ATOM 967 CB ASN 128 0.975 8.170 -15.734 1.00 0.00 ATOM 968 CG ASN 128 2.371 8.185 -15.142 1.00 0.00 ATOM 969 ND2 ASN 128 3.324 7.606 -15.864 1.00 0.00 ATOM 970 OD1 ASN 128 2.588 8.711 -14.051 1.00 0.00 ATOM 971 O ASN 128 -1.796 9.899 -15.537 1.00 0.00 ATOM 972 C ASN 128 -1.415 8.737 -15.395 1.00 0.00 ATOM 973 N ASN 129 -2.162 7.706 -15.815 1.00 0.00 ATOM 974 CA ASN 129 -3.406 7.963 -16.528 1.00 0.00 ATOM 975 CB ASN 129 -4.002 6.653 -17.048 1.00 0.00 ATOM 976 CG ASN 129 -3.218 6.077 -18.210 1.00 0.00 ATOM 977 ND2 ASN 129 -3.381 4.780 -18.446 1.00 0.00 ATOM 978 OD1 ASN 129 -2.477 6.789 -18.885 1.00 0.00 ATOM 979 O ASN 129 -5.094 9.593 -15.925 1.00 0.00 ATOM 980 C ASN 129 -4.413 8.629 -15.602 1.00 0.00 ATOM 981 N MET 130 -4.495 8.066 -14.396 1.00 0.00 ATOM 982 CA MET 130 -5.474 8.510 -13.434 1.00 0.00 ATOM 983 CB MET 130 -5.568 7.439 -12.308 1.00 0.00 ATOM 984 CG MET 130 -6.022 6.118 -12.889 1.00 0.00 ATOM 985 SD MET 130 -6.272 4.754 -11.510 1.00 0.00 ATOM 986 CE MET 130 -4.532 4.718 -10.703 1.00 0.00 ATOM 987 O MET 130 -6.184 10.662 -12.755 1.00 0.00 ATOM 988 C MET 130 -5.208 9.931 -12.938 1.00 0.00 ATOM 989 N LYS 131 -3.954 10.264 -12.723 1.00 0.00 ATOM 990 CA LYS 131 -3.551 11.587 -12.255 1.00 0.00 ATOM 991 CB LYS 131 -2.525 11.482 -11.113 1.00 0.00 ATOM 992 CG LYS 131 -3.062 10.906 -9.823 1.00 0.00 ATOM 993 CD LYS 131 -4.181 11.759 -9.265 1.00 0.00 ATOM 994 CE LYS 131 -4.841 11.084 -8.072 1.00 0.00 ATOM 995 NZ LYS 131 -3.850 10.809 -6.994 1.00 0.00 ATOM 996 O LYS 131 -2.824 13.668 -13.240 1.00 0.00 ATOM 997 C LYS 131 -3.344 12.560 -13.412 1.00 0.00 ATOM 998 N ASN 132 -3.713 12.169 -14.641 1.00 0.00 ATOM 999 CA ASN 132 -3.485 12.973 -15.838 1.00 0.00 ATOM 1000 CB ASN 132 -4.413 14.190 -15.850 1.00 0.00 ATOM 1001 CG ASN 132 -4.500 14.842 -17.216 1.00 0.00 ATOM 1002 ND2 ASN 132 -4.779 16.141 -17.232 1.00 0.00 ATOM 1003 OD1 ASN 132 -4.317 14.187 -18.241 1.00 0.00 ATOM 1004 O ASN 132 -1.837 14.672 -16.132 1.00 0.00 ATOM 1005 C ASN 132 -2.053 13.481 -15.916 1.00 0.00 ATOM 1006 N LEU 133 -1.065 12.610 -15.693 1.00 0.00 ATOM 1007 CA LEU 133 0.334 13.017 -15.662 1.00 0.00 ATOM 1008 CB LEU 133 0.962 12.671 -14.310 1.00 0.00 ATOM 1009 CG LEU 133 0.278 13.259 -13.074 1.00 0.00 ATOM 1010 CD1 LEU 133 0.883 12.684 -11.802 1.00 0.00 ATOM 1011 CD2 LEU 133 0.438 14.770 -13.038 1.00 0.00 ATOM 1012 O LEU 133 0.836 12.484 -17.935 1.00 0.00 ATOM 1013 C LEU 133 1.145 12.323 -16.744 1.00 0.00 TER END