PFRMAT TS TARGET T0265 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 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 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 METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. 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. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD Model 2 is try3-opt2.repack-nonPC, whose backbone is the same as METHOD model1, but whose sidechains have been repacked by Rosetta. REMARK 6 REMARK 6 T0265 model 2 Sun Aug 8 19:37:23 2004 MODEL 2 PARENT 1lj9_A 1jgs_A 1lnw_A 1s3j_A 1r1u_A REMARK 7 REMARK 7 ALLPARENTS 1lj9_A 1jgs_A 1lnw_A 1s3j_A 1r1u_A 1r1t_A 1q1h_A REMARK 7 ALLPARENTS 1smt_B 1ub9_A 1smt_A 1p4x_A 1i1g_A 1okr_A 1on2_A REMARK 7 ALLPARENTS 1mkm_A 1j5y_A 1ft9_A 1hw5_A 1ddn_A 1tbx_A 2cgp_A REMARK 7 ALLPARENTS 1bia 1bi0 2dtr 1mzb_A 1bib 1hw1_A 1qzz_A 1e2x_A REMARK 7 ALLPARENTS 1je8_A 6pax_A 1bja_A 1lea 1lva_A 1k78_A 1ku9_A REMARK 7 ALLPARENTS 1r7j_A 1qbj_A 1dpu_A 1in6_A 1in4_A 1qgp_A 1s7o_A REMARK 7 ALLPARENTS 1i1s_A 1jhf_A 1a04_A 1hqc_A 1fp2_A 1iz1_A 1fse_A REMARK 7 ALLPARENTS 1j75_A 1pdn_C 1fpx_A 1bm9_A 1hlv_A 1f4k_A 1p4w_A REMARK 7 ALLPARENTS 1trr_A 1ixc_A 1ufm_A 1bw6_A 1jhg_A 1mgt_A 2wrp_R REMARK 7 ALLPARENTS 1fy7_A 1or7_A 1fp1_D 1o57_A 1t95_A 1b9m_A 1p9q_C REMARK 7 ALLPARENTS 1gxq_A 1kgs_A ATOM 1 N MET 1 -5.372 -11.931 21.386 1.00 0.00 ATOM 2 CA MET 1 -3.929 -11.842 21.565 1.00 0.00 ATOM 3 CB MET 1 -3.434 -12.992 22.439 1.00 0.00 ATOM 4 CG MET 1 -3.926 -12.947 23.878 1.00 0.00 ATOM 5 SD MET 1 -3.384 -14.372 24.843 1.00 0.00 ATOM 6 CE MET 1 -1.659 -13.970 25.101 1.00 0.00 ATOM 7 O MET 1 -2.225 -11.183 20.004 1.00 0.00 ATOM 8 C MET 1 -3.240 -11.851 20.202 1.00 0.00 ATOM 9 N MET 2 -3.747 -12.669 19.294 1.00 0.00 ATOM 10 CA MET 2 -3.171 -12.761 17.957 1.00 0.00 ATOM 11 CB MET 2 -3.869 -13.859 17.156 1.00 0.00 ATOM 12 CG MET 2 -3.561 -15.273 17.628 1.00 0.00 ATOM 13 SD MET 2 -4.197 -16.534 16.505 1.00 0.00 ATOM 14 CE MET 2 -5.949 -16.458 16.868 1.00 0.00 ATOM 15 O MET 2 -2.389 -11.057 16.474 1.00 0.00 ATOM 16 C MET 2 -3.274 -11.430 17.233 1.00 0.00 ATOM 17 N LYS 3 -4.408 -10.756 17.394 1.00 0.00 ATOM 18 CA LYS 3 -4.595 -9.464 16.744 1.00 0.00 ATOM 19 CB LYS 3 -6.005 -8.932 17.006 1.00 0.00 ATOM 20 CG LYS 3 -6.312 -7.603 16.328 1.00 0.00 ATOM 21 CD LYS 3 -7.752 -7.176 16.572 1.00 0.00 ATOM 22 CE LYS 3 -8.049 -5.831 15.926 1.00 0.00 ATOM 23 NZ LYS 3 -9.449 -5.392 16.173 1.00 0.00 ATOM 24 O LYS 3 -2.979 -7.721 16.460 1.00 0.00 ATOM 25 C LYS 3 -3.542 -8.485 17.240 1.00 0.00 ATOM 26 N GLU 4 -3.297 -8.456 18.545 1.00 0.00 ATOM 27 CA GLU 4 -2.301 -7.527 19.070 1.00 0.00 ATOM 28 CB GLU 4 -2.287 -7.563 20.599 1.00 0.00 ATOM 29 CG GLU 4 -3.518 -6.952 21.253 1.00 0.00 ATOM 30 CD GLU 4 -3.491 -7.133 22.745 1.00 0.00 ATOM 31 OE1 GLU 4 -2.588 -7.773 23.231 1.00 0.00 ATOM 32 OE2 GLU 4 -4.308 -6.542 23.411 1.00 0.00 ATOM 33 O GLU 4 -0.106 -6.942 18.298 1.00 0.00 ATOM 34 C GLU 4 -0.912 -7.850 18.520 1.00 0.00 ATOM 35 N LYS 5 -0.603 -9.124 18.433 1.00 0.00 ATOM 36 CA LYS 5 0.698 -9.528 17.903 1.00 0.00 ATOM 37 CB LYS 5 0.857 -11.047 17.973 1.00 0.00 ATOM 38 CG LYS 5 1.009 -11.600 19.383 1.00 0.00 ATOM 39 CD LYS 5 1.161 -13.114 19.371 1.00 0.00 ATOM 40 CE LYS 5 1.288 -13.669 20.782 1.00 0.00 ATOM 41 NZ LYS 5 1.403 -15.153 20.788 1.00 0.00 ATOM 42 O LYS 5 1.946 -8.529 16.114 1.00 0.00 ATOM 43 C LYS 5 0.888 -9.050 16.473 1.00 0.00 ATOM 44 N LEU 6 -0.119 -9.260 15.654 1.00 0.00 ATOM 45 CA LEU 6 -0.046 -8.851 14.252 1.00 0.00 ATOM 46 CB LEU 6 -1.270 -9.367 13.485 1.00 0.00 ATOM 47 CG LEU 6 -1.303 -9.012 11.993 1.00 0.00 ATOM 48 CD1 LEU 6 -0.098 -9.619 11.287 1.00 0.00 ATOM 49 CD2 LEU 6 -2.600 -9.518 11.379 1.00 0.00 ATOM 50 O LEU 6 0.841 -6.834 13.296 1.00 0.00 ATOM 51 C LEU 6 0.060 -7.331 14.104 1.00 0.00 ATOM 52 N GLU 7 -0.688 -6.593 14.870 1.00 0.00 ATOM 53 CA GLU 7 -0.664 -5.127 14.811 1.00 0.00 ATOM 54 CB GLU 7 -1.775 -4.537 15.683 1.00 0.00 ATOM 55 CG GLU 7 -3.181 -4.754 15.141 1.00 0.00 ATOM 56 CD GLU 7 -4.221 -4.269 16.112 1.00 0.00 ATOM 57 OE1 GLU 7 -3.856 -3.853 17.186 1.00 0.00 ATOM 58 OE2 GLU 7 -5.369 -4.207 15.740 1.00 0.00 ATOM 59 O GLU 7 1.312 -3.830 14.496 1.00 0.00 ATOM 60 C GLU 7 0.685 -4.578 15.245 1.00 0.00 ATOM 61 N SER 8 1.207 -5.088 16.355 1.00 0.00 ATOM 62 CA SER 8 2.520 -4.662 16.844 1.00 0.00 ATOM 63 CB SER 8 2.760 -5.207 18.239 1.00 0.00 ATOM 64 OG SER 8 1.882 -4.650 19.179 1.00 0.00 ATOM 65 O SER 8 4.533 -4.268 15.601 1.00 0.00 ATOM 66 C SER 8 3.676 -5.082 15.943 1.00 0.00 ATOM 67 N LYS 9 3.674 -6.311 15.532 1.00 0.00 ATOM 68 CA LYS 9 4.714 -6.844 14.661 1.00 0.00 ATOM 69 CB LYS 9 4.576 -8.362 14.530 1.00 0.00 ATOM 70 CG LYS 9 4.926 -9.137 15.793 1.00 0.00 ATOM 71 CD LYS 9 4.767 -10.636 15.585 1.00 0.00 ATOM 72 CE LYS 9 5.085 -11.409 16.856 1.00 0.00 ATOM 73 NZ LYS 9 4.908 -12.875 16.674 1.00 0.00 ATOM 74 O LYS 9 5.751 -5.898 12.723 1.00 0.00 ATOM 75 C LYS 9 4.698 -6.213 13.271 1.00 0.00 ATOM 76 N LYS 10 3.502 -6.032 12.714 1.00 0.00 ATOM 77 CA LYS 10 3.344 -5.373 11.425 1.00 0.00 ATOM 78 CB LYS 10 1.878 -5.397 10.986 1.00 0.00 ATOM 79 CG LYS 10 1.583 -4.586 9.732 1.00 0.00 ATOM 80 CD LYS 10 0.127 -4.722 9.315 1.00 0.00 ATOM 81 CE LYS 10 -0.177 -3.886 8.080 1.00 0.00 ATOM 82 NZ LYS 10 -1.604 -3.996 7.671 1.00 0.00 ATOM 83 O LYS 10 4.626 -3.487 10.673 1.00 0.00 ATOM 84 C LYS 10 3.866 -3.942 11.528 1.00 0.00 ATOM 85 N ASP 11 3.541 -3.311 12.624 1.00 0.00 ATOM 86 CA ASP 11 3.971 -1.936 12.860 1.00 0.00 ATOM 87 CB ASP 11 3.282 -1.365 14.102 1.00 0.00 ATOM 88 CG ASP 11 1.806 -1.046 13.911 1.00 0.00 ATOM 89 OD1 ASP 11 1.360 -1.035 12.787 1.00 0.00 ATOM 90 OD2 ASP 11 1.102 -0.973 14.890 1.00 0.00 ATOM 91 O ASP 11 6.096 -0.883 12.452 1.00 0.00 ATOM 92 C ASP 11 5.484 -1.788 13.025 1.00 0.00 ATOM 93 N GLU 12 6.070 -2.701 13.741 1.00 0.00 ATOM 94 CA GLU 12 7.514 -2.651 13.957 1.00 0.00 ATOM 95 CB GLU 12 7.942 -3.717 14.969 1.00 0.00 ATOM 96 CG GLU 12 7.499 -3.440 16.398 1.00 0.00 ATOM 97 CD GLU 12 7.835 -4.590 17.307 1.00 0.00 ATOM 98 OE1 GLU 12 8.321 -5.583 16.822 1.00 0.00 ATOM 99 OE2 GLU 12 7.712 -4.434 18.499 1.00 0.00 ATOM 100 O GLU 12 9.227 -2.135 12.386 1.00 0.00 ATOM 101 C GLU 12 8.247 -2.836 12.656 1.00 0.00 ATOM 102 N ILE 13 7.854 -3.844 11.869 1.00 0.00 ATOM 103 CA ILE 13 8.530 -4.133 10.588 1.00 0.00 ATOM 104 CB ILE 13 7.967 -5.402 9.925 1.00 0.00 ATOM 105 CG1 ILE 13 8.323 -6.641 10.751 1.00 0.00 ATOM 106 CG2 ILE 13 8.492 -5.538 8.503 1.00 0.00 ATOM 107 CD1 ILE 13 7.592 -7.892 10.324 1.00 0.00 ATOM 108 O ILE 13 9.285 -2.547 8.943 1.00 0.00 ATOM 109 C ILE 13 8.354 -2.920 9.675 1.00 0.00 ATOM 110 N ARG 14 7.178 -2.354 9.668 1.00 0.00 ATOM 111 CA ARG 14 6.917 -1.165 8.825 1.00 0.00 ATOM 112 CB ARG 14 5.448 -0.773 8.825 1.00 0.00 ATOM 113 CG ARG 14 4.967 -0.088 10.094 1.00 0.00 ATOM 114 CD ARG 14 3.653 0.592 9.964 1.00 0.00 ATOM 115 NE ARG 14 3.210 1.281 11.165 1.00 0.00 ATOM 116 CZ ARG 14 3.585 2.526 11.516 1.00 0.00 ATOM 117 NH1 ARG 14 4.437 3.207 10.784 1.00 0.00 ATOM 118 NH2 ARG 14 3.092 3.035 12.631 1.00 0.00 ATOM 119 O ARG 14 8.377 0.704 8.338 1.00 0.00 ATOM 120 C ARG 14 7.801 0.032 9.211 1.00 0.00 ATOM 121 N CYS 15 7.974 0.247 10.506 1.00 0.00 ATOM 122 CA CYS 15 8.810 1.361 10.958 1.00 0.00 ATOM 123 CB CYS 15 8.724 1.546 12.456 1.00 0.00 ATOM 124 SG CYS 15 7.110 2.206 13.002 1.00 0.00 ATOM 125 O CYS 15 10.965 2.037 10.200 1.00 0.00 ATOM 126 C CYS 15 10.250 1.088 10.555 1.00 0.00 ATOM 127 N CYS 16 10.661 -0.134 10.650 1.00 0.00 ATOM 128 CA CYS 16 12.044 -0.502 10.268 1.00 0.00 ATOM 129 CB CYS 16 12.308 -1.976 10.478 1.00 0.00 ATOM 130 SG CYS 16 12.306 -2.315 12.246 1.00 0.00 ATOM 131 O CYS 16 13.260 0.421 8.441 1.00 0.00 ATOM 132 C CYS 16 12.258 -0.163 8.820 1.00 0.00 ATOM 133 N TYR 17 11.308 -0.554 7.983 1.00 0.00 ATOM 134 CA TYR 17 11.379 -0.267 6.578 1.00 0.00 ATOM 135 CB TYR 17 10.500 -1.239 5.788 1.00 0.00 ATOM 136 CG TYR 17 10.929 -2.684 5.902 1.00 0.00 ATOM 137 CD1 TYR 17 12.199 -3.018 6.348 1.00 0.00 ATOM 138 CD2 TYR 17 10.062 -3.713 5.564 1.00 0.00 ATOM 139 CE1 TYR 17 12.597 -4.337 6.454 1.00 0.00 ATOM 140 CE2 TYR 17 10.448 -5.035 5.666 1.00 0.00 ATOM 141 CZ TYR 17 11.717 -5.344 6.111 1.00 0.00 ATOM 142 OH TYR 17 12.107 -6.659 6.215 1.00 0.00 ATOM 143 O TYR 17 10.875 1.449 5.003 1.00 0.00 ATOM 144 C TYR 17 10.970 1.167 6.216 1.00 0.00 ATOM 145 N LYS 18 10.832 2.008 7.316 1.00 0.00 ATOM 146 CA LYS 18 10.546 3.448 7.071 1.00 0.00 ATOM 147 CB LYS 18 11.721 4.113 6.352 1.00 0.00 ATOM 148 CG LYS 18 13.037 4.059 7.116 1.00 0.00 ATOM 149 CD LYS 18 14.137 4.808 6.377 1.00 0.00 ATOM 150 CE LYS 18 15.473 4.680 7.093 1.00 0.00 ATOM 151 NZ LYS 18 16.563 5.388 6.369 1.00 0.00 ATOM 152 O LYS 18 9.276 4.891 5.549 1.00 0.00 ATOM 153 C LYS 18 9.298 3.878 6.269 1.00 0.00 ATOM 154 N ILE 19 8.314 2.936 6.617 1.00 0.00 ATOM 155 CA ILE 19 7.054 3.165 5.905 1.00 0.00 ATOM 156 CB ILE 19 6.890 2.194 4.721 1.00 0.00 ATOM 157 CG1 ILE 19 8.106 2.273 3.794 1.00 0.00 ATOM 158 CG2 ILE 19 5.612 2.503 3.955 1.00 0.00 ATOM 159 CD1 ILE 19 8.136 3.512 2.928 1.00 0.00 ATOM 160 O ILE 19 5.833 2.158 7.728 1.00 0.00 ATOM 161 C ILE 19 5.863 3.017 6.846 1.00 0.00 ATOM 162 N THR 20 4.878 3.883 6.667 1.00 0.00 ATOM 163 CA THR 20 3.645 3.824 7.477 1.00 0.00 ATOM 164 CB THR 20 3.067 5.233 7.701 1.00 0.00 ATOM 165 CG2 THR 20 4.109 6.144 8.333 1.00 0.00 ATOM 166 OG1 THR 20 2.661 5.792 6.445 1.00 0.00 ATOM 167 O THR 20 2.783 2.667 5.542 1.00 0.00 ATOM 168 C THR 20 2.607 2.999 6.711 1.00 0.00 ATOM 169 N ASP 21 1.487 2.686 7.401 1.00 0.00 ATOM 170 CA ASP 21 0.391 1.964 6.778 1.00 0.00 ATOM 171 CB ASP 21 -0.762 1.777 7.768 1.00 0.00 ATOM 172 CG ASP 21 -0.490 0.756 8.864 1.00 0.00 ATOM 173 OD1 ASP 21 0.469 0.031 8.749 1.00 0.00 ATOM 174 OD2 ASP 21 -1.145 0.814 9.877 1.00 0.00 ATOM 175 O ASP 21 -0.376 2.007 4.515 1.00 0.00 ATOM 176 C ASP 21 -0.122 2.671 5.519 1.00 0.00 ATOM 177 N THR 22 -0.215 3.962 5.626 1.00 0.00 ATOM 178 CA THR 22 -0.696 4.735 4.481 1.00 0.00 ATOM 179 CB THR 22 -0.995 6.195 4.871 1.00 0.00 ATOM 180 CG2 THR 22 -1.442 6.991 3.654 1.00 0.00 ATOM 181 OG1 THR 22 -2.029 6.224 5.864 1.00 0.00 ATOM 182 O THR 22 -0.089 4.644 2.154 1.00 0.00 ATOM 183 C THR 22 0.298 4.742 3.321 1.00 0.00 ATOM 184 N ASP 23 1.579 4.858 3.645 1.00 0.00 ATOM 185 CA ASP 23 2.619 4.790 2.630 1.00 0.00 ATOM 186 CB ASP 23 3.986 5.108 3.240 1.00 0.00 ATOM 187 CG ASP 23 4.256 6.593 3.442 1.00 0.00 ATOM 188 OD1 ASP 23 3.517 7.387 2.912 1.00 0.00 ATOM 189 OD2 ASP 23 5.096 6.919 4.246 1.00 0.00 ATOM 190 O ASP 23 2.744 3.268 0.776 1.00 0.00 ATOM 191 C ASP 23 2.604 3.398 1.995 1.00 0.00 ATOM 192 N VAL 24 2.438 2.345 2.806 1.00 0.00 ATOM 193 CA VAL 24 2.372 0.982 2.282 1.00 0.00 ATOM 194 CB VAL 24 2.211 -0.051 3.413 1.00 0.00 ATOM 195 CG1 VAL 24 1.821 -1.407 2.844 1.00 0.00 ATOM 196 CG2 VAL 24 3.495 -0.163 4.220 1.00 0.00 ATOM 197 O VAL 24 1.337 0.304 0.218 1.00 0.00 ATOM 198 C VAL 24 1.206 0.876 1.302 1.00 0.00 ATOM 199 N ALA 25 0.082 1.444 1.679 1.00 0.00 ATOM 200 CA ALA 25 -1.090 1.410 0.819 1.00 0.00 ATOM 201 CB ALA 25 -2.265 2.110 1.611 1.00 0.00 ATOM 202 O ALA 25 -1.309 1.647 -1.559 1.00 0.00 ATOM 203 C ALA 25 -0.854 2.107 -0.519 1.00 0.00 ATOM 204 N VAL 26 -0.147 3.206 -0.485 1.00 0.00 ATOM 205 CA VAL 26 0.190 3.930 -1.699 1.00 0.00 ATOM 206 CB VAL 26 0.878 5.299 -1.343 1.00 0.00 ATOM 207 CG1 VAL 26 1.418 5.970 -2.598 1.00 0.00 ATOM 208 CG2 VAL 26 -0.115 6.215 -0.653 1.00 0.00 ATOM 209 O VAL 26 0.914 2.996 -3.791 1.00 0.00 ATOM 210 C VAL 26 1.103 3.077 -2.576 1.00 0.00 ATOM 211 N LEU 27 2.081 2.450 -1.950 1.00 0.00 ATOM 212 CA LEU 27 3.004 1.599 -2.687 1.00 0.00 ATOM 213 CB LEU 27 4.081 1.047 -1.746 1.00 0.00 ATOM 214 CG LEU 27 4.972 2.103 -1.080 1.00 0.00 ATOM 215 CD1 LEU 27 5.868 1.449 -0.038 1.00 0.00 ATOM 216 CD2 LEU 27 5.803 2.809 -2.141 1.00 0.00 ATOM 217 O LEU 27 2.530 0.119 -4.503 1.00 0.00 ATOM 218 C LEU 27 2.246 0.465 -3.372 1.00 0.00 ATOM 219 N LEU 28 1.288 -0.142 -2.649 1.00 0.00 ATOM 220 CA LEU 28 0.504 -1.261 -3.192 1.00 0.00 ATOM 221 CB LEU 28 -0.344 -1.875 -2.075 1.00 0.00 ATOM 222 CG LEU 28 0.419 -2.584 -0.957 1.00 0.00 ATOM 223 CD1 LEU 28 -0.523 -2.984 0.169 1.00 0.00 ATOM 224 CD2 LEU 28 1.095 -3.842 -1.480 1.00 0.00 ATOM 225 O LEU 28 -0.356 -1.423 -5.420 1.00 0.00 ATOM 226 C LEU 28 -0.349 -0.781 -4.359 1.00 0.00 ATOM 227 N LYS 29 -1.030 0.318 -4.196 1.00 0.00 ATOM 228 CA LYS 29 -1.874 0.848 -5.292 1.00 0.00 ATOM 229 CB LYS 29 -2.631 2.058 -4.879 1.00 0.00 ATOM 230 CG LYS 29 -3.795 1.724 -3.956 1.00 0.00 ATOM 231 CD LYS 29 -4.695 0.680 -4.602 1.00 0.00 ATOM 232 CE LYS 29 -5.865 0.309 -3.717 1.00 0.00 ATOM 233 NZ LYS 29 -6.710 -0.728 -4.378 1.00 0.00 ATOM 234 O LYS 29 -1.458 1.067 -7.635 1.00 0.00 ATOM 235 C LYS 29 -1.020 1.226 -6.468 1.00 0.00 ATOM 236 N MET 30 0.207 1.743 -6.198 1.00 0.00 ATOM 237 CA MET 30 1.091 2.117 -7.300 1.00 0.00 ATOM 238 CB MET 30 2.306 2.875 -6.767 1.00 0.00 ATOM 239 CG MET 30 1.996 4.264 -6.230 1.00 0.00 ATOM 240 SD MET 30 3.345 4.946 -5.245 1.00 0.00 ATOM 241 CE MET 30 4.578 5.232 -6.511 1.00 0.00 ATOM 242 O MET 30 1.697 0.944 -9.283 1.00 0.00 ATOM 243 C MET 30 1.525 0.892 -8.072 1.00 0.00 ATOM 244 N VAL 31 1.723 -0.218 -7.365 1.00 0.00 ATOM 245 CA VAL 31 2.113 -1.493 -8.011 1.00 0.00 ATOM 246 CB VAL 31 2.328 -2.618 -7.023 1.00 0.00 ATOM 247 CG1 VAL 31 2.506 -3.944 -7.755 1.00 0.00 ATOM 248 CG2 VAL 31 3.562 -2.312 -6.198 1.00 0.00 ATOM 249 O VAL 31 1.286 -2.331 -10.146 1.00 0.00 ATOM 250 C VAL 31 1.013 -1.954 -8.982 1.00 0.00 ATOM 251 N GLU 32 -0.218 -1.863 -8.511 1.00 0.00 ATOM 252 CA GLU 32 -1.403 -2.248 -9.293 1.00 0.00 ATOM 253 CB GLU 32 -2.660 -2.200 -8.421 1.00 0.00 ATOM 254 CG GLU 32 -2.734 -3.293 -7.364 1.00 0.00 ATOM 255 CD GLU 32 -3.943 -3.124 -6.488 1.00 0.00 ATOM 256 OE1 GLU 32 -4.649 -2.159 -6.660 1.00 0.00 ATOM 257 OE2 GLU 32 -4.227 -4.015 -5.722 1.00 0.00 ATOM 258 O GLU 32 -2.139 -1.797 -11.526 1.00 0.00 ATOM 259 C GLU 32 -1.589 -1.366 -10.504 1.00 0.00 ATOM 260 N ILE 33 -1.165 -0.074 -10.417 1.00 0.00 ATOM 261 CA ILE 33 -1.333 0.855 -11.537 1.00 0.00 ATOM 262 CB ILE 33 -1.624 2.285 -11.046 1.00 0.00 ATOM 263 CG1 ILE 33 -2.156 3.146 -12.195 1.00 0.00 ATOM 264 CG2 ILE 33 -0.371 2.906 -10.448 1.00 0.00 ATOM 265 CD1 ILE 33 -3.519 2.723 -12.693 1.00 0.00 ATOM 266 O ILE 33 -0.080 1.550 -13.474 1.00 0.00 ATOM 267 C ILE 33 -0.093 0.883 -12.441 1.00 0.00 ATOM 268 N GLU 34 0.896 0.070 -12.205 1.00 0.00 ATOM 269 CA GLU 34 2.072 -0.003 -13.064 1.00 0.00 ATOM 270 CB GLU 34 1.783 -0.860 -14.297 1.00 0.00 ATOM 271 CG GLU 34 1.495 -2.323 -13.993 1.00 0.00 ATOM 272 CD GLU 34 1.207 -3.098 -15.248 1.00 0.00 ATOM 273 OE1 GLU 34 1.193 -2.503 -16.300 1.00 0.00 ATOM 274 OE2 GLU 34 1.113 -4.301 -15.173 1.00 0.00 ATOM 275 O GLU 34 2.433 1.810 -14.665 1.00 0.00 ATOM 276 C GLU 34 2.521 1.422 -13.484 1.00 0.00 ATOM 277 N LYS 35 3.190 2.191 -12.505 1.00 0.00 ATOM 278 CA LYS 35 3.743 3.515 -12.733 1.00 0.00 ATOM 279 CB LYS 35 4.419 3.585 -14.103 1.00 0.00 ATOM 280 CG LYS 35 5.689 2.751 -14.221 1.00 0.00 ATOM 281 CD LYS 35 6.255 2.803 -15.632 1.00 0.00 ATOM 282 CE LYS 35 6.812 4.182 -15.957 1.00 0.00 ATOM 283 NZ LYS 35 7.425 4.230 -17.311 1.00 0.00 ATOM 284 O LYS 35 3.214 5.661 -11.889 1.00 0.00 ATOM 285 C LYS 35 2.874 4.751 -12.679 1.00 0.00 ATOM 286 N PRO 36 1.779 5.118 -13.455 1.00 0.00 ATOM 287 CA PRO 36 1.070 6.395 -13.386 1.00 0.00 ATOM 288 CB PRO 36 0.649 6.718 -14.850 1.00 0.00 ATOM 289 CG PRO 36 1.331 5.665 -15.673 1.00 0.00 ATOM 290 CD PRO 36 1.572 4.493 -14.730 1.00 0.00 ATOM 291 O PRO 36 -0.987 5.537 -12.507 1.00 0.00 ATOM 292 C PRO 36 -0.088 6.374 -12.398 1.00 0.00 ATOM 293 N ILE 37 -0.071 7.300 -11.443 1.00 0.00 ATOM 294 CA ILE 37 -1.202 7.498 -10.538 1.00 0.00 ATOM 295 CB ILE 37 -1.002 6.745 -9.209 1.00 0.00 ATOM 296 CG1 ILE 37 -2.327 6.641 -8.450 1.00 0.00 ATOM 297 CG2 ILE 37 0.049 7.440 -8.358 1.00 0.00 ATOM 298 CD1 ILE 37 -3.308 5.667 -9.065 1.00 0.00 ATOM 299 O ILE 37 -0.361 9.723 -10.207 1.00 0.00 ATOM 300 C ILE 37 -1.354 8.999 -10.296 1.00 0.00 ATOM 301 N THR 38 -2.589 9.458 -10.128 1.00 0.00 ATOM 302 CA THR 38 -2.820 10.871 -9.850 1.00 0.00 ATOM 303 CB THR 38 -4.028 11.573 -10.516 1.00 0.00 ATOM 304 CG2 THR 38 -3.974 11.410 -12.029 1.00 0.00 ATOM 305 OG1 THR 38 -5.248 11.011 -10.015 1.00 0.00 ATOM 306 O THR 38 -3.230 10.004 -7.642 1.00 0.00 ATOM 307 C THR 38 -2.887 10.976 -8.320 1.00 0.00 ATOM 308 N SER 39 -2.481 12.121 -7.780 1.00 0.00 ATOM 309 CA SER 39 -2.614 12.374 -6.354 1.00 0.00 ATOM 310 CB SER 39 -2.018 13.724 -6.006 1.00 0.00 ATOM 311 OG SER 39 -2.138 14.015 -4.641 1.00 0.00 ATOM 312 O SER 39 -4.405 11.743 -4.909 1.00 0.00 ATOM 313 C SER 39 -4.084 12.300 -5.956 1.00 0.00 ATOM 314 N GLU 40 -4.960 12.834 -6.800 1.00 0.00 ATOM 315 CA GLU 40 -6.405 12.823 -6.531 1.00 0.00 ATOM 316 CB GLU 40 -7.153 13.634 -7.590 1.00 0.00 ATOM 317 CG GLU 40 -6.918 15.135 -7.504 1.00 0.00 ATOM 318 CD GLU 40 -7.601 15.895 -8.623 1.00 0.00 ATOM 319 OE1 GLU 40 -8.206 15.246 -9.501 1.00 0.00 ATOM 320 OE2 GLU 40 -7.531 17.143 -8.621 1.00 0.00 ATOM 321 O GLU 40 -7.799 11.106 -5.616 1.00 0.00 ATOM 322 C GLU 40 -6.947 11.399 -6.449 1.00 0.00 ATOM 323 N GLU 41 -6.427 10.521 -7.306 1.00 0.00 ATOM 324 CA GLU 41 -6.869 9.127 -7.335 1.00 0.00 ATOM 325 CB GLU 41 -6.218 8.383 -8.502 1.00 0.00 ATOM 326 CG GLU 41 -6.626 6.921 -8.622 1.00 0.00 ATOM 327 CD GLU 41 -8.079 6.787 -8.984 1.00 0.00 ATOM 328 OE1 GLU 41 -8.677 7.774 -9.338 1.00 0.00 ATOM 329 OE2 GLU 41 -8.563 5.680 -9.015 1.00 0.00 ATOM 330 O GLU 41 -7.384 7.685 -5.500 1.00 0.00 ATOM 331 C GLU 41 -6.556 8.411 -6.025 1.00 0.00 ATOM 332 N LEU 42 -5.326 8.551 -5.553 1.00 0.00 ATOM 333 CA LEU 42 -4.919 7.972 -4.268 1.00 0.00 ATOM 334 CB LEU 42 -3.428 8.229 -4.019 1.00 0.00 ATOM 335 CG LEU 42 -2.470 7.452 -4.930 1.00 0.00 ATOM 336 CD1 LEU 42 -1.041 7.930 -4.715 1.00 0.00 ATOM 337 CD2 LEU 42 -2.590 5.963 -4.644 1.00 0.00 ATOM 338 O LEU 42 -6.185 7.820 -2.255 1.00 0.00 ATOM 339 C LEU 42 -5.765 8.548 -3.141 1.00 0.00 ATOM 340 N ALA 43 -5.964 9.839 -3.165 1.00 0.00 ATOM 341 CA ALA 43 -6.761 10.459 -2.118 1.00 0.00 ATOM 342 CB ALA 43 -6.883 11.938 -2.296 1.00 0.00 ATOM 343 O ALA 43 -8.733 9.540 -1.103 1.00 0.00 ATOM 344 C ALA 43 -8.153 9.851 -2.146 1.00 0.00 ATOM 345 N ASP 44 -8.703 9.664 -3.358 1.00 0.00 ATOM 346 CA ASP 44 -10.028 9.090 -3.468 1.00 0.00 ATOM 347 CB ASP 44 -10.505 9.112 -4.922 1.00 0.00 ATOM 348 CG ASP 44 -10.871 10.497 -5.442 1.00 0.00 ATOM 349 OD1 ASP 44 -10.990 11.397 -4.645 1.00 0.00 ATOM 350 OD2 ASP 44 -10.877 10.678 -6.636 1.00 0.00 ATOM 351 O ASP 44 -10.860 7.335 -2.070 1.00 0.00 ATOM 352 C ASP 44 -10.040 7.661 -2.925 1.00 0.00 ATOM 353 N ILE 45 -9.078 6.843 -3.364 1.00 0.00 ATOM 354 CA ILE 45 -8.989 5.446 -2.929 1.00 0.00 ATOM 355 CB ILE 45 -7.950 4.707 -3.909 1.00 0.00 ATOM 356 CG1 ILE 45 -8.404 4.541 -5.361 1.00 0.00 ATOM 357 CG2 ILE 45 -7.538 3.365 -3.332 1.00 0.00 ATOM 358 CD1 ILE 45 -7.293 4.180 -6.327 1.00 0.00 ATOM 359 O ILE 45 -9.168 4.369 -0.805 1.00 0.00 ATOM 360 C ILE 45 -8.710 5.317 -1.438 1.00 0.00 ATOM 361 N PHE 46 -7.988 6.267 -0.862 1.00 0.00 ATOM 362 CA PHE 46 -7.676 6.226 0.563 1.00 0.00 ATOM 363 CB PHE 46 -6.131 6.504 0.720 1.00 0.00 ATOM 364 CG PHE 46 -5.251 5.455 0.130 1.00 0.00 ATOM 365 CD1 PHE 46 -5.516 4.110 0.358 1.00 0.00 ATOM 366 CD2 PHE 46 -4.163 5.801 -0.666 1.00 0.00 ATOM 367 CE1 PHE 46 -4.713 3.118 -0.195 1.00 0.00 ATOM 368 CE2 PHE 46 -3.356 4.818 -1.221 1.00 0.00 ATOM 369 CZ PHE 46 -3.633 3.467 -0.983 1.00 0.00 ATOM 370 O PHE 46 -8.494 7.170 2.590 1.00 0.00 ATOM 371 C PHE 46 -8.624 7.092 1.375 1.00 0.00 ATOM 372 N LYS 47 -9.656 7.615 0.718 1.00 0.00 ATOM 373 CA LYS 47 -10.701 8.411 1.383 1.00 0.00 ATOM 374 CB LYS 47 -11.692 7.497 2.106 1.00 0.00 ATOM 375 CG LYS 47 -12.469 6.563 1.189 1.00 0.00 ATOM 376 CD LYS 47 -13.407 5.665 1.981 1.00 0.00 ATOM 377 CE LYS 47 -14.169 4.715 1.069 1.00 0.00 ATOM 378 NZ LYS 47 -15.027 3.773 1.838 1.00 0.00 ATOM 379 O LYS 47 -10.572 9.577 3.491 1.00 0.00 ATOM 380 C LYS 47 -10.086 9.409 2.367 1.00 0.00 ATOM 381 N LEU 48 -9.144 10.186 1.843 1.00 0.00 ATOM 382 CA LEU 48 -8.520 11.286 2.562 1.00 0.00 ATOM 383 CB LEU 48 -7.149 10.857 3.100 1.00 0.00 ATOM 384 CG LEU 48 -7.176 9.706 4.114 1.00 0.00 ATOM 385 CD1 LEU 48 -5.761 9.214 4.385 1.00 0.00 ATOM 386 CD2 LEU 48 -7.838 10.178 5.401 1.00 0.00 ATOM 387 O LEU 48 -8.400 12.374 0.431 1.00 0.00 ATOM 388 C LEU 48 -8.391 12.500 1.656 1.00 0.00 ATOM 389 N SER 49 -8.151 13.652 2.265 1.00 0.00 ATOM 390 CA SER 49 -7.981 14.879 1.493 1.00 0.00 ATOM 391 CB SER 49 -7.898 16.073 2.424 1.00 0.00 ATOM 392 OG SER 49 -7.669 17.268 1.727 1.00 0.00 ATOM 393 O SER 49 -5.661 14.495 1.063 1.00 0.00 ATOM 394 C SER 49 -6.751 14.844 0.596 1.00 0.00 ATOM 395 N LYS 50 -6.778 15.269 -0.730 1.00 0.00 ATOM 396 CA LYS 50 -5.571 15.409 -1.532 1.00 0.00 ATOM 397 CB LYS 50 -5.786 16.430 -2.649 1.00 0.00 ATOM 398 CG LYS 50 -4.610 16.570 -3.608 1.00 0.00 ATOM 399 CD LYS 50 -4.930 17.536 -4.740 1.00 0.00 ATOM 400 CE LYS 50 -3.709 17.794 -5.609 1.00 0.00 ATOM 401 NZ LYS 50 -4.018 18.705 -6.746 1.00 0.00 ATOM 402 O LYS 50 -3.279 15.317 -0.892 1.00 0.00 ATOM 403 C LYS 50 -4.385 15.818 -0.660 1.00 0.00 ATOM 404 N THR 51 -4.593 16.768 0.252 1.00 0.00 ATOM 405 CA THR 51 -3.522 17.243 1.143 1.00 0.00 ATOM 406 CB THR 51 -4.017 18.366 2.073 1.00 0.00 ATOM 407 CG2 THR 51 -4.479 19.566 1.262 1.00 0.00 ATOM 408 OG1 THR 51 -5.106 17.884 2.870 1.00 0.00 ATOM 409 O THR 51 -1.739 16.185 2.313 1.00 0.00 ATOM 410 C THR 51 -2.913 16.146 2.025 1.00 0.00 ATOM 411 N THR 52 -3.717 15.201 2.487 1.00 0.00 ATOM 412 CA THR 52 -3.197 14.020 3.194 1.00 0.00 ATOM 413 CB THR 52 -4.330 13.052 3.585 1.00 0.00 ATOM 414 CG2 THR 52 -5.302 13.726 4.539 1.00 0.00 ATOM 415 OG1 THR 52 -5.033 12.635 2.407 1.00 0.00 ATOM 416 O THR 52 -1.061 12.975 2.748 1.00 0.00 ATOM 417 C THR 52 -2.172 13.292 2.312 1.00 0.00 ATOM 418 N VAL 53 -2.521 13.040 1.046 1.00 0.00 ATOM 419 CA VAL 53 -1.617 12.357 0.129 1.00 0.00 ATOM 420 CB VAL 53 -2.294 12.081 -1.226 1.00 0.00 ATOM 421 CG1 VAL 53 -1.296 11.494 -2.211 1.00 0.00 ATOM 422 CG2 VAL 53 -3.442 11.097 -1.058 1.00 0.00 ATOM 423 O VAL 53 0.704 12.548 -0.456 1.00 0.00 ATOM 424 C VAL 53 -0.338 13.137 -0.157 1.00 0.00 ATOM 425 N GLU 54 -0.458 14.470 -0.246 1.00 0.00 ATOM 426 CA GLU 54 0.689 15.329 -0.510 1.00 0.00 ATOM 427 CB GLU 54 0.248 16.789 -0.631 1.00 0.00 ATOM 428 CG GLU 54 -0.541 17.105 -1.893 1.00 0.00 ATOM 429 CD GLU 54 0.255 16.789 -3.129 1.00 0.00 ATOM 430 OE1 GLU 54 1.367 17.253 -3.230 1.00 0.00 ATOM 431 OE2 GLU 54 -0.199 15.995 -3.917 1.00 0.00 ATOM 432 O GLU 54 2.941 15.101 0.317 1.00 0.00 ATOM 433 C GLU 54 1.732 15.172 0.595 1.00 0.00 ATOM 434 N ASN 55 1.253 15.064 1.828 1.00 0.00 ATOM 435 CA ASN 55 2.169 14.877 2.956 1.00 0.00 ATOM 436 CB ASN 55 1.454 15.039 4.285 1.00 0.00 ATOM 437 CG ASN 55 1.093 16.462 4.608 1.00 0.00 ATOM 438 ND2 ASN 55 0.196 16.618 5.549 1.00 0.00 ATOM 439 OD1 ASN 55 1.672 17.410 4.065 1.00 0.00 ATOM 440 O ASN 55 4.034 13.399 3.199 1.00 0.00 ATOM 441 C ASN 55 2.850 13.516 2.881 1.00 0.00 ATOM 442 N SER 56 2.110 12.483 2.440 1.00 0.00 ATOM 443 CA SER 56 2.668 11.136 2.330 1.00 0.00 ATOM 444 CB SER 56 1.570 10.141 2.011 1.00 0.00 ATOM 445 OG SER 56 0.655 10.012 3.064 1.00 0.00 ATOM 446 O SER 56 4.789 10.561 1.367 1.00 0.00 ATOM 447 C SER 56 3.748 11.187 1.248 1.00 0.00 ATOM 448 N LEU 57 3.397 11.800 0.122 1.00 0.00 ATOM 449 CA LEU 57 4.320 11.967 -0.993 1.00 0.00 ATOM 450 CB LEU 57 3.637 12.728 -2.136 1.00 0.00 ATOM 451 CG LEU 57 4.564 13.159 -3.280 1.00 0.00 ATOM 452 CD1 LEU 57 5.180 11.934 -3.942 1.00 0.00 ATOM 453 CD2 LEU 57 3.778 13.981 -4.290 1.00 0.00 ATOM 454 O LEU 57 6.669 12.291 -0.963 1.00 0.00 ATOM 455 C LEU 57 5.589 12.691 -0.563 1.00 0.00 ATOM 456 N LYS 58 5.470 13.737 0.268 1.00 0.00 ATOM 457 CA LYS 58 6.651 14.474 0.760 1.00 0.00 ATOM 458 CB LYS 58 6.221 15.643 1.647 1.00 0.00 ATOM 459 CG LYS 58 5.545 16.785 0.901 1.00 0.00 ATOM 460 CD LYS 58 5.149 17.907 1.848 1.00 0.00 ATOM 461 CE LYS 58 4.453 19.039 1.106 1.00 0.00 ATOM 462 NZ LYS 58 4.028 20.129 2.026 1.00 0.00 ATOM 463 O LYS 58 8.810 13.568 1.316 1.00 0.00 ATOM 464 C LYS 58 7.592 13.542 1.525 1.00 0.00 ATOM 465 N LYS 59 7.014 12.712 2.384 1.00 0.00 ATOM 466 CA LYS 59 7.812 11.777 3.176 1.00 0.00 ATOM 467 CB LYS 59 6.927 11.032 4.176 1.00 0.00 ATOM 468 CG LYS 59 6.392 11.896 5.309 1.00 0.00 ATOM 469 CD LYS 59 5.520 11.087 6.259 1.00 0.00 ATOM 470 CE LYS 59 4.956 11.958 7.371 1.00 0.00 ATOM 471 NZ LYS 59 4.081 11.185 8.294 1.00 0.00 ATOM 472 O LYS 59 9.739 10.579 2.402 1.00 0.00 ATOM 473 C LYS 59 8.536 10.795 2.267 1.00 0.00 ATOM 474 N LEU 60 7.775 10.189 1.373 1.00 0.00 ATOM 475 CA LEU 60 8.324 9.217 0.437 1.00 0.00 ATOM 476 CB LEU 60 7.203 8.616 -0.420 1.00 0.00 ATOM 477 CG LEU 60 6.127 7.846 0.357 1.00 0.00 ATOM 478 CD1 LEU 60 4.900 7.636 -0.519 1.00 0.00 ATOM 479 CD2 LEU 60 6.692 6.512 0.822 1.00 0.00 ATOM 480 O LEU 60 10.466 9.241 -0.680 1.00 0.00 ATOM 481 C LEU 60 9.403 9.826 -0.471 1.00 0.00 ATOM 482 N ILE 61 9.142 11.042 -1.014 1.00 0.00 ATOM 483 CA ILE 61 10.108 11.741 -1.892 1.00 0.00 ATOM 484 CB ILE 61 9.535 13.050 -2.466 1.00 0.00 ATOM 485 CG1 ILE 61 8.374 12.753 -3.417 1.00 0.00 ATOM 486 CG2 ILE 61 10.606 13.810 -3.234 1.00 0.00 ATOM 487 CD1 ILE 61 7.585 13.978 -3.820 1.00 0.00 ATOM 488 O ILE 61 12.493 11.955 -1.703 1.00 0.00 ATOM 489 C ILE 61 11.403 12.093 -1.155 1.00 0.00 ATOM 490 N GLU 62 11.269 12.516 0.098 1.00 0.00 ATOM 491 CA GLU 62 12.414 12.821 0.951 1.00 0.00 ATOM 492 CB GLU 62 11.945 13.360 2.304 1.00 0.00 ATOM 493 CG GLU 62 13.070 13.797 3.231 1.00 0.00 ATOM 494 CD GLU 62 12.531 14.401 4.498 1.00 0.00 ATOM 495 OE1 GLU 62 11.333 14.490 4.629 1.00 0.00 ATOM 496 OE2 GLU 62 13.309 14.670 5.382 1.00 0.00 ATOM 497 O GLU 62 14.532 11.719 1.230 1.00 0.00 ATOM 498 C GLU 62 13.313 11.595 1.168 1.00 0.00 ATOM 499 N LEU 63 12.702 10.415 1.159 1.00 0.00 ATOM 500 CA LEU 63 13.421 9.150 1.269 1.00 0.00 ATOM 501 CB LEU 63 12.575 8.117 2.014 1.00 0.00 ATOM 502 CG LEU 63 12.215 8.454 3.464 1.00 0.00 ATOM 503 CD1 LEU 63 11.294 7.393 4.048 1.00 0.00 ATOM 504 CD2 LEU 63 13.465 8.524 4.325 1.00 0.00 ATOM 505 O LEU 63 14.515 7.704 -0.314 1.00 0.00 ATOM 506 C LEU 63 13.775 8.683 -0.133 1.00 0.00 ATOM 507 N GLY 64 13.288 9.230 -1.184 1.00 0.00 ATOM 508 CA GLY 64 13.571 8.855 -2.549 1.00 0.00 ATOM 509 O GLY 64 13.133 6.917 -3.913 1.00 0.00 ATOM 510 C GLY 64 12.777 7.642 -2.972 1.00 0.00 ATOM 511 N LEU 65 11.608 7.237 -2.278 1.00 0.00 ATOM 512 CA LEU 65 10.806 6.060 -2.577 1.00 0.00 ATOM 513 CB LEU 65 10.037 5.612 -1.328 1.00 0.00 ATOM 514 CG LEU 65 10.853 4.801 -0.314 1.00 0.00 ATOM 515 CD1 LEU 65 12.328 5.163 -0.423 1.00 0.00 ATOM 516 CD2 LEU 65 10.333 5.070 1.090 1.00 0.00 ATOM 517 O LEU 65 9.465 5.356 -4.475 1.00 0.00 ATOM 518 C LEU 65 9.823 6.284 -3.726 1.00 0.00 ATOM 519 N VAL 66 9.404 7.539 -3.835 1.00 0.00 ATOM 520 CA VAL 66 8.483 7.904 -4.909 1.00 0.00 ATOM 521 CB VAL 66 7.062 8.160 -4.374 1.00 0.00 ATOM 522 CG1 VAL 66 6.555 6.946 -3.608 1.00 0.00 ATOM 523 CG2 VAL 66 7.039 9.395 -3.487 1.00 0.00 ATOM 524 O VAL 66 9.833 9.885 -4.992 1.00 0.00 ATOM 525 C VAL 66 9.045 9.149 -5.591 1.00 0.00 ATOM 526 N VAL 67 8.543 9.416 -6.791 1.00 0.00 ATOM 527 CA VAL 67 8.819 10.658 -7.502 1.00 0.00 ATOM 528 CB VAL 67 9.699 10.415 -8.742 1.00 0.00 ATOM 529 CG1 VAL 67 9.913 11.714 -9.506 1.00 0.00 ATOM 530 CG2 VAL 67 11.036 9.811 -8.338 1.00 0.00 ATOM 531 O VAL 67 6.534 10.580 -8.206 1.00 0.00 ATOM 532 C VAL 67 7.499 11.290 -7.902 1.00 0.00 ATOM 533 N ARG 68 7.467 12.615 -7.900 1.00 0.00 ATOM 534 CA ARG 68 6.364 13.353 -8.456 1.00 0.00 ATOM 535 CB ARG 68 5.890 14.462 -7.528 1.00 0.00 ATOM 536 CG ARG 68 6.904 15.569 -7.284 1.00 0.00 ATOM 537 CD ARG 68 6.423 16.653 -6.390 1.00 0.00 ATOM 538 NE ARG 68 7.408 17.686 -6.113 1.00 0.00 ATOM 539 CZ ARG 68 7.629 18.762 -6.894 1.00 0.00 ATOM 540 NH1 ARG 68 6.967 18.930 -8.017 1.00 0.00 ATOM 541 NH2 ARG 68 8.548 19.632 -6.512 1.00 0.00 ATOM 542 O ARG 68 7.813 14.438 -10.037 1.00 0.00 ATOM 543 C ARG 68 6.746 13.873 -9.840 1.00 0.00 ATOM 544 N THR 69 5.859 13.674 -10.700 1.00 0.00 ATOM 545 CA THR 69 5.964 14.251 -12.032 1.00 0.00 ATOM 546 CB THR 69 6.226 13.171 -13.098 1.00 0.00 ATOM 547 CG2 THR 69 6.380 13.804 -14.473 1.00 0.00 ATOM 548 OG1 THR 69 7.422 12.452 -12.770 1.00 0.00 ATOM 549 O THR 69 3.597 14.762 -11.853 1.00 0.00 ATOM 550 C THR 69 4.679 15.024 -12.393 1.00 0.00 ATOM 551 N LYS 70 4.742 15.953 -13.144 1.00 0.00 ATOM 552 CA LYS 70 3.562 16.673 -13.593 1.00 0.00 ATOM 553 CB LYS 70 3.964 17.933 -14.362 1.00 0.00 ATOM 554 CG LYS 70 4.628 18.998 -13.505 1.00 0.00 ATOM 555 CD LYS 70 4.960 20.238 -14.322 1.00 0.00 ATOM 556 CE LYS 70 5.677 21.278 -13.478 1.00 0.00 ATOM 557 NZ LYS 70 6.012 22.497 -14.265 1.00 0.00 ATOM 558 O LYS 70 3.268 14.877 -15.167 1.00 0.00 ATOM 559 C LYS 70 2.733 15.751 -14.483 1.00 0.00 ATOM 560 N THR 71 1.352 15.913 -14.454 1.00 0.00 ATOM 561 CA THR 71 0.466 15.076 -15.249 1.00 0.00 ATOM 562 CB THR 71 -0.955 15.036 -14.656 1.00 0.00 ATOM 563 CG2 THR 71 -1.871 14.188 -15.526 1.00 0.00 ATOM 564 OG1 THR 71 -0.910 14.482 -13.335 1.00 0.00 ATOM 565 O THR 71 0.387 16.841 -16.845 1.00 0.00 ATOM 566 C THR 71 0.451 15.632 -16.660 1.00 0.00 ATOM 567 N GLU 72 0.379 14.751 -17.653 1.00 0.00 ATOM 568 CA GLU 72 0.506 15.187 -19.047 1.00 0.00 ATOM 569 CB GLU 72 0.811 13.995 -19.956 1.00 0.00 ATOM 570 CG GLU 72 2.190 13.384 -19.749 1.00 0.00 ATOM 571 CD GLU 72 2.391 12.180 -20.627 1.00 0.00 ATOM 572 OE1 GLU 72 1.485 11.833 -21.345 1.00 0.00 ATOM 573 OE2 GLU 72 3.489 11.675 -20.665 1.00 0.00 ATOM 574 O GLU 72 -0.736 16.665 -20.472 1.00 0.00 ATOM 575 C GLU 72 -0.772 15.898 -19.510 1.00 0.00 ATOM 576 N GLY 73 -1.935 15.579 -18.868 1.00 0.00 ATOM 577 CA GLY 73 -3.181 16.217 -19.242 1.00 0.00 ATOM 578 O GLY 73 -3.626 18.565 -19.227 1.00 0.00 ATOM 579 C GLY 73 -3.288 17.578 -18.576 1.00 0.00 ATOM 580 N LYS 74 -2.921 17.592 -17.226 1.00 0.00 ATOM 581 CA LYS 74 -2.888 18.838 -16.460 1.00 0.00 ATOM 582 CB LYS 74 -4.079 18.911 -15.503 1.00 0.00 ATOM 583 CG LYS 74 -4.155 20.197 -14.690 1.00 0.00 ATOM 584 CD LYS 74 -5.439 20.262 -13.876 1.00 0.00 ATOM 585 CE LYS 74 -5.550 21.578 -13.120 1.00 0.00 ATOM 586 NZ LYS 74 -6.827 21.679 -12.364 1.00 0.00 ATOM 587 O LYS 74 -1.318 18.143 -14.796 1.00 0.00 ATOM 588 C LYS 74 -1.578 18.936 -15.702 1.00 0.00 ATOM 589 N LYS 75 -0.721 19.857 -16.122 1.00 0.00 ATOM 590 CA LYS 75 0.637 19.917 -15.600 1.00 0.00 ATOM 591 CB LYS 75 1.442 21.000 -16.321 1.00 0.00 ATOM 592 CG LYS 75 1.769 20.677 -17.774 1.00 0.00 ATOM 593 CD LYS 75 2.556 21.803 -18.427 1.00 0.00 ATOM 594 CE LYS 75 2.890 21.478 -19.876 1.00 0.00 ATOM 595 NZ LYS 75 3.635 22.583 -20.536 1.00 0.00 ATOM 596 O LYS 75 1.603 19.803 -13.411 1.00 0.00 ATOM 597 C LYS 75 0.651 20.178 -14.097 1.00 0.00 ATOM 598 N ILE 76 -0.380 20.835 -13.602 1.00 0.00 ATOM 599 CA ILE 76 -0.469 21.142 -12.176 1.00 0.00 ATOM 600 CB ILE 76 -1.612 22.130 -11.881 1.00 0.00 ATOM 601 CG1 ILE 76 -1.291 23.507 -12.469 1.00 0.00 ATOM 602 CG2 ILE 76 -1.855 22.231 -10.383 1.00 0.00 ATOM 603 CD1 ILE 76 -2.461 24.464 -12.455 1.00 0.00 ATOM 604 O ILE 76 -0.243 19.998 -10.121 1.00 0.00 ATOM 605 C ILE 76 -0.679 19.947 -11.252 1.00 0.00 ATOM 606 N GLY 77 -1.384 18.844 -11.747 1.00 0.00 ATOM 607 CA GLY 77 -1.630 17.669 -10.918 1.00 0.00 ATOM 608 O GLY 77 0.438 16.889 -11.831 1.00 0.00 ATOM 609 C GLY 77 -0.338 16.874 -10.874 1.00 0.00 ATOM 610 N ARG 78 -0.147 16.103 -9.804 1.00 0.00 ATOM 611 CA ARG 78 1.041 15.280 -9.637 1.00 0.00 ATOM 612 CB ARG 78 1.730 15.531 -8.303 1.00 0.00 ATOM 613 CG ARG 78 2.326 16.919 -8.142 1.00 0.00 ATOM 614 CD ARG 78 2.657 17.285 -6.741 1.00 0.00 ATOM 615 NE ARG 78 3.257 18.601 -6.588 1.00 0.00 ATOM 616 CZ ARG 78 3.666 19.123 -5.414 1.00 0.00 ATOM 617 NH1 ARG 78 3.507 18.464 -4.288 1.00 0.00 ATOM 618 NH2 ARG 78 4.209 20.328 -5.423 1.00 0.00 ATOM 619 O ARG 78 -0.037 13.254 -9.042 1.00 0.00 ATOM 620 C ARG 78 0.729 13.791 -9.829 1.00 0.00 ATOM 621 N PRO 79 1.482 13.112 -10.700 1.00 0.00 ATOM 622 CA PRO 79 1.470 11.642 -10.764 1.00 0.00 ATOM 623 CB PRO 79 1.617 11.370 -12.261 1.00 0.00 ATOM 624 CG PRO 79 2.427 12.511 -12.726 1.00 0.00 ATOM 625 CD PRO 79 1.881 13.694 -11.991 1.00 0.00 ATOM 626 O PRO 79 3.709 11.581 -9.958 1.00 0.00 ATOM 627 C PRO 79 2.586 11.068 -9.923 1.00 0.00 ATOM 628 N LYS 80 2.294 9.958 -9.246 1.00 0.00 ATOM 629 CA LYS 80 3.324 9.135 -8.628 1.00 0.00 ATOM 630 CB LYS 80 2.926 8.763 -7.199 1.00 0.00 ATOM 631 CG LYS 80 3.328 9.787 -6.146 1.00 0.00 ATOM 632 CD LYS 80 2.698 11.144 -6.426 1.00 0.00 ATOM 633 CE LYS 80 1.189 11.105 -6.234 1.00 0.00 ATOM 634 NZ LYS 80 0.814 10.933 -4.804 1.00 0.00 ATOM 635 O LYS 80 2.751 7.237 -9.968 1.00 0.00 ATOM 636 C LYS 80 3.637 7.866 -9.386 1.00 0.00 ATOM 637 N TYR 81 5.019 7.916 -9.533 1.00 0.00 ATOM 638 CA TYR 81 5.434 6.605 -10.007 1.00 0.00 ATOM 639 CB TYR 81 5.963 6.697 -11.440 1.00 0.00 ATOM 640 CG TYR 81 7.224 7.521 -11.577 1.00 0.00 ATOM 641 CD1 TYR 81 8.476 6.926 -11.505 1.00 0.00 ATOM 642 CD2 TYR 81 7.159 8.891 -11.779 1.00 0.00 ATOM 643 CE1 TYR 81 9.630 7.674 -11.628 1.00 0.00 ATOM 644 CE2 TYR 81 8.307 9.649 -11.904 1.00 0.00 ATOM 645 CZ TYR 81 9.542 9.037 -11.828 1.00 0.00 ATOM 646 OH TYR 81 10.689 9.788 -11.953 1.00 0.00 ATOM 647 O TYR 81 7.170 6.795 -8.346 1.00 0.00 ATOM 648 C TYR 81 6.493 6.043 -9.066 1.00 0.00 ATOM 649 N TYR 82 6.717 4.735 -9.125 1.00 0.00 ATOM 650 CA TYR 82 7.785 4.127 -8.302 1.00 0.00 ATOM 651 CB TYR 82 7.563 2.620 -8.165 1.00 0.00 ATOM 652 CG TYR 82 7.406 1.901 -9.487 1.00 0.00 ATOM 653 CD1 TYR 82 8.514 1.464 -10.197 1.00 0.00 ATOM 654 CD2 TYR 82 6.147 1.660 -10.020 1.00 0.00 ATOM 655 CE1 TYR 82 8.375 0.807 -11.405 1.00 0.00 ATOM 656 CE2 TYR 82 5.997 1.005 -11.226 1.00 0.00 ATOM 657 CZ TYR 82 7.113 0.579 -11.916 1.00 0.00 ATOM 658 OH TYR 82 6.969 -0.075 -13.118 1.00 0.00 ATOM 659 O TYR 82 9.327 4.070 -10.035 1.00 0.00 ATOM 660 C TYR 82 9.149 4.392 -8.878 1.00 0.00 ATOM 661 N TYR 83 10.129 4.635 -8.014 1.00 0.00 ATOM 662 CA TYR 83 11.535 4.521 -8.388 1.00 0.00 ATOM 663 CB TYR 83 12.402 5.401 -7.484 1.00 0.00 ATOM 664 CG TYR 83 13.836 5.531 -7.949 1.00 0.00 ATOM 665 CD1 TYR 83 14.147 6.213 -9.116 1.00 0.00 ATOM 666 CD2 TYR 83 14.874 4.972 -7.219 1.00 0.00 ATOM 667 CE1 TYR 83 15.454 6.335 -9.545 1.00 0.00 ATOM 668 CE2 TYR 83 16.184 5.088 -7.638 1.00 0.00 ATOM 669 CZ TYR 83 16.471 5.771 -8.802 1.00 0.00 ATOM 670 OH TYR 83 17.776 5.890 -9.224 1.00 0.00 ATOM 671 O TYR 83 11.153 2.221 -7.759 1.00 0.00 ATOM 672 C TYR 83 11.928 3.041 -8.292 1.00 0.00 ATOM 673 N SER 84 13.222 2.842 -8.839 1.00 0.00 ATOM 674 CA SER 84 13.798 1.500 -8.748 1.00 0.00 ATOM 675 CB SER 84 15.197 1.491 -9.334 1.00 0.00 ATOM 676 OG SER 84 15.191 1.737 -10.713 1.00 0.00 ATOM 677 O SER 84 13.417 -0.044 -6.964 1.00 0.00 ATOM 678 C SER 84 13.789 1.078 -7.285 1.00 0.00 ATOM 679 N ILE 85 14.196 1.993 -6.407 1.00 0.00 ATOM 680 CA ILE 85 14.368 1.691 -4.987 1.00 0.00 ATOM 681 CB ILE 85 15.105 2.826 -4.253 1.00 0.00 ATOM 682 CG1 ILE 85 16.554 2.923 -4.736 1.00 0.00 ATOM 683 CG2 ILE 85 15.055 2.607 -2.749 1.00 0.00 ATOM 684 CD1 ILE 85 17.273 4.168 -4.268 1.00 0.00 ATOM 685 O ILE 85 12.798 0.478 -3.607 1.00 0.00 ATOM 686 C ILE 85 12.993 1.458 -4.369 1.00 0.00 ATOM 687 N SER 86 11.910 2.286 -4.682 1.00 0.00 ATOM 688 CA SER 86 10.551 2.099 -4.150 1.00 0.00 ATOM 689 CB SER 86 9.642 3.239 -4.494 1.00 0.00 ATOM 690 OG SER 86 9.460 3.305 -5.879 1.00 0.00 ATOM 691 O SER 86 9.089 0.255 -3.872 1.00 0.00 ATOM 692 C SER 86 9.875 0.826 -4.610 1.00 0.00 ATOM 693 N SER 87 10.154 0.417 -5.848 1.00 0.00 ATOM 694 CA SER 87 9.700 -0.865 -6.381 1.00 0.00 ATOM 695 CB SER 87 10.208 -1.099 -7.779 1.00 0.00 ATOM 696 OG SER 87 9.755 -2.349 -8.271 1.00 0.00 ATOM 697 O SER 87 9.475 -2.871 -5.079 1.00 0.00 ATOM 698 C SER 87 10.225 -1.999 -5.502 1.00 0.00 ATOM 699 N ASN 88 11.504 -1.932 -5.177 1.00 0.00 ATOM 700 CA ASN 88 12.138 -2.928 -4.326 1.00 0.00 ATOM 701 CB ASN 88 13.634 -2.641 -4.190 1.00 0.00 ATOM 702 CG ASN 88 14.407 -2.965 -5.454 1.00 0.00 ATOM 703 ND2 ASN 88 15.596 -2.387 -5.583 1.00 0.00 ATOM 704 OD1 ASN 88 13.939 -3.724 -6.302 1.00 0.00 ATOM 705 O ASN 88 11.213 -3.989 -2.379 1.00 0.00 ATOM 706 C ASN 88 11.555 -2.940 -2.911 1.00 0.00 ATOM 707 N ILE 89 11.239 -1.760 -2.395 1.00 0.00 ATOM 708 CA ILE 89 10.649 -1.624 -1.060 1.00 0.00 ATOM 709 CB ILE 89 10.663 -0.160 -0.583 1.00 0.00 ATOM 710 CG1 ILE 89 12.099 0.311 -0.345 1.00 0.00 ATOM 711 CG2 ILE 89 9.830 -0.004 0.680 1.00 0.00 ATOM 712 CD1 ILE 89 12.225 1.802 -0.131 1.00 0.00 ATOM 713 O ILE 89 8.790 -2.687 0.006 1.00 0.00 ATOM 714 C ILE 89 9.215 -2.141 -1.020 1.00 0.00 ATOM 715 N LEU 90 8.444 -1.875 -2.075 1.00 0.00 ATOM 716 CA LEU 90 7.083 -2.370 -2.174 1.00 0.00 ATOM 717 CB LEU 90 6.437 -1.890 -3.480 1.00 0.00 ATOM 718 CG LEU 90 5.002 -2.376 -3.717 1.00 0.00 ATOM 719 CD1 LEU 90 5.004 -3.858 -4.064 1.00 0.00 ATOM 720 CD2 LEU 90 4.165 -2.114 -2.474 1.00 0.00 ATOM 721 O LEU 90 6.155 -4.439 -1.462 1.00 0.00 ATOM 722 C LEU 90 7.065 -3.894 -2.088 1.00 0.00 ATOM 723 N GLU 91 7.936 -4.560 -2.865 1.00 0.00 ATOM 724 CA GLU 91 7.993 -6.009 -2.858 1.00 0.00 ATOM 725 CB GLU 91 9.050 -6.507 -3.845 1.00 0.00 ATOM 726 CG GLU 91 8.678 -6.324 -5.310 1.00 0.00 ATOM 727 CD GLU 91 9.811 -6.721 -6.215 1.00 0.00 ATOM 728 OE1 GLU 91 10.861 -7.045 -5.714 1.00 0.00 ATOM 729 OE2 GLU 91 9.595 -6.809 -7.401 1.00 0.00 ATOM 730 O GLU 91 7.660 -7.525 -0.996 1.00 0.00 ATOM 731 C GLU 91 8.285 -6.558 -1.477 1.00 0.00 ATOM 732 N LYS 92 9.292 -5.987 -0.814 1.00 0.00 ATOM 733 CA LYS 92 9.646 -6.482 0.528 1.00 0.00 ATOM 734 CB LYS 92 10.917 -5.798 1.033 1.00 0.00 ATOM 735 CG LYS 92 12.188 -6.214 0.303 1.00 0.00 ATOM 736 CD LYS 92 13.407 -5.495 0.860 1.00 0.00 ATOM 737 CE LYS 92 14.673 -5.891 0.117 1.00 0.00 ATOM 738 NZ LYS 92 15.870 -5.173 0.632 1.00 0.00 ATOM 739 O LYS 92 8.293 -7.182 2.373 1.00 0.00 ATOM 740 C LYS 92 8.530 -6.280 1.539 1.00 0.00 ATOM 741 N ILE 93 7.814 -5.159 1.470 1.00 0.00 ATOM 742 CA ILE 93 6.666 -4.973 2.370 1.00 0.00 ATOM 743 CB ILE 93 6.114 -3.538 2.293 1.00 0.00 ATOM 744 CG1 ILE 93 7.128 -2.544 2.866 1.00 0.00 ATOM 745 CG2 ILE 93 4.789 -3.438 3.035 1.00 0.00 ATOM 746 CD1 ILE 93 6.873 -1.110 2.460 1.00 0.00 ATOM 747 O ILE 93 4.969 -6.623 2.899 1.00 0.00 ATOM 748 C ILE 93 5.563 -5.961 2.032 1.00 0.00 ATOM 749 N ARG 94 5.270 -6.157 0.756 1.00 0.00 ATOM 750 CA ARG 94 4.201 -7.078 0.359 1.00 0.00 ATOM 751 CB ARG 94 3.832 -6.931 -1.109 1.00 0.00 ATOM 752 CG ARG 94 2.693 -7.826 -1.575 1.00 0.00 ATOM 753 CD ARG 94 2.272 -7.598 -2.981 1.00 0.00 ATOM 754 NE ARG 94 1.193 -8.462 -3.434 1.00 0.00 ATOM 755 CZ ARG 94 0.686 -8.462 -4.683 1.00 0.00 ATOM 756 NH1 ARG 94 1.128 -7.622 -5.593 1.00 0.00 ATOM 757 NH2 ARG 94 -0.286 -9.312 -4.961 1.00 0.00 ATOM 758 O ARG 94 3.738 -9.267 1.278 1.00 0.00 ATOM 759 C ARG 94 4.558 -8.544 0.706 1.00 0.00 ATOM 760 N ASN 95 5.809 -8.926 0.456 1.00 0.00 ATOM 761 CA ASN 95 6.290 -10.270 0.783 1.00 0.00 ATOM 762 CB ASN 95 7.693 -10.502 0.251 1.00 0.00 ATOM 763 CG ASN 95 7.754 -10.670 -1.242 1.00 0.00 ATOM 764 ND2 ASN 95 8.943 -10.549 -1.776 1.00 0.00 ATOM 765 OD1 ASN 95 6.749 -10.979 -1.893 1.00 0.00 ATOM 766 O ASN 95 5.678 -11.495 2.769 1.00 0.00 ATOM 767 C ASN 95 6.242 -10.504 2.297 1.00 0.00 ATOM 768 N ASP 96 6.798 -9.565 3.059 1.00 0.00 ATOM 769 CA ASP 96 6.832 -9.678 4.513 1.00 0.00 ATOM 770 CB ASP 96 7.579 -8.497 5.135 1.00 0.00 ATOM 771 CG ASP 96 9.048 -8.825 4.940 1.00 0.00 ATOM 772 OD1 ASP 96 9.419 -9.976 4.624 1.00 0.00 ATOM 773 OD2 ASP 96 9.790 -7.857 5.106 1.00 0.00 ATOM 774 O ASP 96 5.170 -10.410 6.077 1.00 0.00 ATOM 775 C ASP 96 5.446 -9.640 5.154 1.00 0.00 ATOM 776 N LEU 97 4.563 -8.777 4.651 1.00 0.00 ATOM 777 CA LEU 97 3.202 -8.697 5.190 1.00 0.00 ATOM 778 CB LEU 97 2.446 -7.527 4.548 1.00 0.00 ATOM 779 CG LEU 97 2.941 -6.131 4.949 1.00 0.00 ATOM 780 CD1 LEU 97 2.238 -5.070 4.114 1.00 0.00 ATOM 781 CD2 LEU 97 2.686 -5.908 6.432 1.00 0.00 ATOM 782 O LEU 97 1.716 -10.459 5.836 1.00 0.00 ATOM 783 C LEU 97 2.459 -10.008 4.964 1.00 0.00 ATOM 784 N LEU 98 2.635 -10.613 3.793 1.00 0.00 ATOM 785 CA LEU 98 2.002 -11.889 3.469 1.00 0.00 ATOM 786 CB LEU 98 2.261 -12.251 2.001 1.00 0.00 ATOM 787 CG LEU 98 1.547 -11.364 0.974 1.00 0.00 ATOM 788 CD1 LEU 98 2.023 -11.707 -0.432 1.00 0.00 ATOM 789 CD2 LEU 98 0.043 -11.555 1.094 1.00 0.00 ATOM 790 O LEU 98 1.764 -13.780 4.920 1.00 0.00 ATOM 791 C LEU 98 2.528 -12.972 4.410 1.00 0.00 ATOM 792 N ASN 99 3.807 -12.910 4.685 1.00 0.00 ATOM 793 CA ASN 99 4.421 -13.893 5.574 1.00 0.00 ATOM 794 CB ASN 99 5.935 -13.801 5.541 1.00 0.00 ATOM 795 CG ASN 99 6.547 -14.329 4.272 1.00 0.00 ATOM 796 ND2 ASN 99 7.785 -13.969 4.049 1.00 0.00 ATOM 797 OD1 ASN 99 5.930 -15.113 3.542 1.00 0.00 ATOM 798 O ASN 99 3.627 -14.745 7.646 1.00 0.00 ATOM 799 C ASN 99 3.924 -13.741 6.981 1.00 0.00 ATOM 800 N CYS 100 3.785 -12.492 7.455 1.00 0.00 ATOM 801 CA CYS 100 3.256 -12.309 8.803 1.00 0.00 ATOM 802 CB CYS 100 3.272 -10.858 9.234 1.00 0.00 ATOM 803 SG CYS 100 4.950 -10.213 9.557 1.00 0.00 ATOM 804 O CYS 100 1.440 -13.547 9.776 1.00 0.00 ATOM 805 C CYS 100 1.814 -12.816 8.861 1.00 0.00 ATOM 806 N ALA 101 1.065 -12.501 7.862 1.00 0.00 ATOM 807 CA ALA 101 -0.330 -12.928 7.806 1.00 0.00 ATOM 808 CB ALA 101 -1.057 -12.242 6.626 1.00 0.00 ATOM 809 O ALA 101 -1.304 -15.020 8.424 1.00 0.00 ATOM 810 C ALA 101 -0.496 -14.439 7.704 1.00 0.00 ATOM 811 N LYS 102 0.323 -15.059 6.879 1.00 0.00 ATOM 812 CA LYS 102 0.230 -16.508 6.712 1.00 0.00 ATOM 813 CB LYS 102 1.088 -16.968 5.533 1.00 0.00 ATOM 814 CG LYS 102 0.554 -16.552 4.168 1.00 0.00 ATOM 815 CD LYS 102 1.458 -17.045 3.048 1.00 0.00 ATOM 816 CE LYS 102 0.947 -16.598 1.685 1.00 0.00 ATOM 817 NZ LYS 102 1.835 -17.052 0.581 1.00 0.00 ATOM 818 O LYS 102 0.016 -18.188 8.415 1.00 0.00 ATOM 819 C LYS 102 0.656 -17.223 7.993 1.00 0.00 ATOM 820 N ARG 103 1.724 -16.822 8.648 1.00 0.00 ATOM 821 CA ARG 103 2.139 -17.397 9.927 1.00 0.00 ATOM 822 CB ARG 103 3.468 -16.832 10.405 1.00 0.00 ATOM 823 CG ARG 103 4.680 -17.283 9.606 1.00 0.00 ATOM 824 CD ARG 103 5.963 -16.673 10.042 1.00 0.00 ATOM 825 NE ARG 103 7.119 -17.078 9.259 1.00 0.00 ATOM 826 CZ ARG 103 8.366 -16.593 9.427 1.00 0.00 ATOM 827 NH1 ARG 103 8.614 -15.661 10.320 1.00 0.00 ATOM 828 NH2 ARG 103 9.328 -17.064 8.654 1.00 0.00 ATOM 829 O ARG 103 0.694 -18.137 11.635 1.00 0.00 ATOM 830 C ARG 103 1.003 -17.201 10.937 1.00 0.00 ATOM 831 N MET 104 0.339 -16.037 10.948 1.00 0.00 ATOM 832 CA MET 104 -0.656 -15.710 11.974 1.00 0.00 ATOM 833 CB MET 104 -0.967 -14.214 11.949 1.00 0.00 ATOM 834 CG MET 104 -1.939 -13.755 13.028 1.00 0.00 ATOM 835 SD MET 104 -1.297 -14.009 14.695 1.00 0.00 ATOM 836 CE MET 104 -0.049 -12.727 14.775 1.00 0.00 ATOM 837 O MET 104 -2.453 -17.075 12.656 1.00 0.00 ATOM 838 C MET 104 -1.881 -16.525 11.738 1.00 0.00 ATOM 839 N GLU 105 -2.340 -16.614 10.476 1.00 0.00 ATOM 840 CA GLU 105 -3.511 -17.405 10.168 1.00 0.00 ATOM 841 CB GLU 105 -3.879 -17.263 8.689 1.00 0.00 ATOM 842 CG GLU 105 -4.439 -15.899 8.310 1.00 0.00 ATOM 843 CD GLU 105 -4.659 -15.793 6.827 1.00 0.00 ATOM 844 OE1 GLU 105 -4.320 -16.717 6.127 1.00 0.00 ATOM 845 OE2 GLU 105 -5.270 -14.841 6.404 1.00 0.00 ATOM 846 O GLU 105 -4.091 -19.537 11.126 1.00 0.00 ATOM 847 C GLU 105 -3.219 -18.868 10.540 1.00 0.00 ATOM 848 N LEU 106 -2.022 -19.313 10.230 1.00 0.00 ATOM 849 CA LEU 106 -1.624 -20.674 10.612 1.00 0.00 ATOM 850 CB LEU 106 -0.223 -20.987 10.073 1.00 0.00 ATOM 851 CG LEU 106 -0.129 -21.144 8.550 1.00 0.00 ATOM 852 CD1 LEU 106 1.329 -21.265 8.127 1.00 0.00 ATOM 853 CD2 LEU 106 -0.920 -22.369 8.115 1.00 0.00 ATOM 854 O LEU 106 -2.195 -21.807 12.648 1.00 0.00 ATOM 855 C LEU 106 -1.674 -20.820 12.128 1.00 0.00 ATOM 856 N ALA 107 -1.152 -19.822 12.836 1.00 0.00 ATOM 857 CA ALA 107 -1.151 -19.839 14.293 1.00 0.00 ATOM 858 CB ALA 107 -0.412 -18.619 14.834 1.00 0.00 ATOM 859 O ALA 107 -2.897 -20.551 15.781 1.00 0.00 ATOM 860 C ALA 107 -2.587 -19.856 14.812 1.00 0.00 ATOM 861 N ALA 108 -3.472 -19.151 14.115 1.00 0.00 ATOM 862 CA ALA 108 -4.877 -19.090 14.506 1.00 0.00 ATOM 863 CB ALA 108 -5.601 -18.036 13.646 1.00 0.00 ATOM 864 O ALA 108 -6.285 -20.893 15.241 1.00 0.00 ATOM 865 C ALA 108 -5.529 -20.463 14.370 1.00 0.00 ATOM 866 N THR 109 -5.175 -21.173 13.303 1.00 0.00 ATOM 867 CA THR 109 -5.728 -22.511 13.066 1.00 0.00 ATOM 868 CB THR 109 -5.359 -22.976 11.653 1.00 0.00 ATOM 869 CG2 THR 109 -5.833 -24.397 11.380 1.00 0.00 ATOM 870 OG1 THR 109 -5.942 -22.079 10.695 1.00 0.00 ATOM 871 O THR 109 -6.049 -24.235 14.683 1.00 0.00 ATOM 872 C THR 109 -5.253 -23.472 14.134 1.00 0.00 TER END