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 This is try3-opt2, the result optimizing with undertaker after the METHOD initial fully automatic run. It scored best with an uncostrained cost METHOD function. METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0265 model 1 Sun Aug 8 19:37:22 2004 MODEL 1 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 -5.381 -11.893 21.399 1.00 0.00 ATOM 2 CA MET 1 -3.939 -11.804 21.578 1.00 0.00 ATOM 3 CB MET 1 -3.459 -13.364 21.951 1.00 0.00 ATOM 4 CG MET 1 -2.318 -13.660 22.908 1.00 0.00 ATOM 5 SD MET 1 -2.218 -15.420 23.326 1.00 0.00 ATOM 6 CE MET 1 -1.527 -16.061 21.866 1.00 0.00 ATOM 7 O MET 1 -2.234 -11.147 20.016 1.00 0.00 ATOM 8 C MET 1 -3.249 -11.815 20.214 1.00 0.00 ATOM 9 N MET 2 -3.756 -12.634 19.308 1.00 0.00 ATOM 10 CA MET 2 -3.180 -12.728 17.971 1.00 0.00 ATOM 11 CB MET 2 -3.854 -13.851 17.186 1.00 0.00 ATOM 12 CG MET 2 -3.505 -15.213 17.774 1.00 0.00 ATOM 13 SD MET 2 -4.245 -16.580 16.909 1.00 0.00 ATOM 14 CE MET 2 -3.324 -16.491 15.318 1.00 0.00 ATOM 15 O MET 2 -2.397 -11.025 16.486 1.00 0.00 ATOM 16 C MET 2 -3.282 -11.397 17.245 1.00 0.00 ATOM 17 N LYS 3 -4.416 -10.723 17.405 1.00 0.00 ATOM 18 CA LYS 3 -4.604 -9.432 16.753 1.00 0.00 ATOM 19 CB LYS 3 -6.027 -8.928 16.999 1.00 0.00 ATOM 20 CG LYS 3 -7.064 -9.713 16.224 1.00 0.00 ATOM 21 CD LYS 3 -8.475 -9.158 16.520 1.00 0.00 ATOM 22 CE LYS 3 -9.538 -9.807 15.625 1.00 0.00 ATOM 23 NZ LYS 3 -10.891 -9.391 15.982 1.00 0.00 ATOM 24 O LYS 3 -2.987 -7.689 16.468 1.00 0.00 ATOM 25 C LYS 3 -3.550 -8.453 17.249 1.00 0.00 ATOM 26 N GLU 4 -3.305 -8.422 18.554 1.00 0.00 ATOM 27 CA GLU 4 -2.309 -7.492 19.077 1.00 0.00 ATOM 28 CB GLU 4 -2.359 -7.458 20.610 1.00 0.00 ATOM 29 CG GLU 4 -3.692 -7.001 21.167 1.00 0.00 ATOM 30 CD GLU 4 -3.824 -7.257 22.660 1.00 0.00 ATOM 31 OE1 GLU 4 -2.981 -8.001 23.219 1.00 0.00 ATOM 32 OE2 GLU 4 -4.773 -6.722 23.275 1.00 0.00 ATOM 33 O GLU 4 -0.114 -6.908 18.306 1.00 0.00 ATOM 34 C GLU 4 -0.920 -7.816 18.529 1.00 0.00 ATOM 35 N LYS 5 -0.611 -9.091 18.443 1.00 0.00 ATOM 36 CA LYS 5 0.690 -9.495 17.914 1.00 0.00 ATOM 37 CB LYS 5 0.886 -11.012 17.984 1.00 0.00 ATOM 38 CG LYS 5 0.881 -11.541 19.402 1.00 0.00 ATOM 39 CD LYS 5 1.031 -13.070 19.444 1.00 0.00 ATOM 40 CE LYS 5 0.617 -13.606 20.847 1.00 0.00 ATOM 41 NZ LYS 5 1.558 -13.162 21.883 1.00 0.00 ATOM 42 O LYS 5 1.938 -8.498 16.123 1.00 0.00 ATOM 43 C LYS 5 0.880 -9.019 16.483 1.00 0.00 ATOM 44 N LEU 6 -0.127 -9.229 15.664 1.00 0.00 ATOM 45 CA LEU 6 -0.054 -8.822 14.262 1.00 0.00 ATOM 46 CB LEU 6 -1.330 -9.178 13.492 1.00 0.00 ATOM 47 CG LEU 6 -1.292 -10.615 12.985 1.00 0.00 ATOM 48 CD1 LEU 6 -2.652 -11.025 12.450 1.00 0.00 ATOM 49 CD2 LEU 6 -0.237 -10.719 11.882 1.00 0.00 ATOM 50 O LEU 6 0.833 -6.807 13.303 1.00 0.00 ATOM 51 C LEU 6 0.052 -7.302 14.112 1.00 0.00 ATOM 52 N GLU 7 -0.696 -6.564 14.877 1.00 0.00 ATOM 53 CA GLU 7 -0.671 -5.098 14.816 1.00 0.00 ATOM 54 CB GLU 7 -1.796 -4.501 15.659 1.00 0.00 ATOM 55 CG GLU 7 -3.175 -4.926 15.172 1.00 0.00 ATOM 56 CD GLU 7 -4.312 -4.407 16.024 1.00 0.00 ATOM 57 OE1 GLU 7 -4.165 -4.361 17.261 1.00 0.00 ATOM 58 OE2 GLU 7 -5.368 -4.067 15.450 1.00 0.00 ATOM 59 O GLU 7 1.305 -3.801 14.500 1.00 0.00 ATOM 60 C GLU 7 0.677 -4.548 15.250 1.00 0.00 ATOM 61 N SER 8 1.199 -5.057 16.361 1.00 0.00 ATOM 62 CA SER 8 2.513 -4.631 16.850 1.00 0.00 ATOM 63 CB SER 8 2.728 -5.129 18.274 1.00 0.00 ATOM 64 OG SER 8 1.842 -4.539 19.186 1.00 0.00 ATOM 65 O SER 8 4.526 -4.238 15.606 1.00 0.00 ATOM 66 C SER 8 3.668 -5.051 15.949 1.00 0.00 ATOM 67 N LYS 9 3.667 -6.281 15.539 1.00 0.00 ATOM 68 CA LYS 9 4.707 -6.816 14.669 1.00 0.00 ATOM 69 CB LYS 9 4.567 -8.331 14.505 1.00 0.00 ATOM 70 CG LYS 9 4.857 -9.121 15.768 1.00 0.00 ATOM 71 CD LYS 9 4.704 -10.615 15.532 1.00 0.00 ATOM 72 CE LYS 9 4.962 -11.405 16.805 1.00 0.00 ATOM 73 NZ LYS 9 4.793 -12.870 16.596 1.00 0.00 ATOM 74 O LYS 9 5.744 -5.872 12.731 1.00 0.00 ATOM 75 C LYS 9 4.691 -6.186 13.278 1.00 0.00 ATOM 76 N LYS 10 3.495 -6.006 12.721 1.00 0.00 ATOM 77 CA LYS 10 3.337 -5.348 11.431 1.00 0.00 ATOM 78 CB LYS 10 1.870 -5.366 10.996 1.00 0.00 ATOM 79 CG LYS 10 1.351 -6.743 10.617 1.00 0.00 ATOM 80 CD LYS 10 -0.109 -6.688 10.199 1.00 0.00 ATOM 81 CE LYS 10 -0.634 -8.069 9.844 1.00 0.00 ATOM 82 NZ LYS 10 -2.074 -8.036 9.467 1.00 0.00 ATOM 83 O LYS 10 4.619 -3.463 10.677 1.00 0.00 ATOM 84 C LYS 10 3.859 -3.917 11.532 1.00 0.00 ATOM 85 N ASP 11 3.534 -3.285 12.627 1.00 0.00 ATOM 86 CA ASP 11 3.965 -1.910 12.862 1.00 0.00 ATOM 87 CB ASP 11 3.289 -1.367 14.122 1.00 0.00 ATOM 88 CG ASP 11 1.814 -1.083 13.917 1.00 0.00 ATOM 89 OD1 ASP 11 1.365 -1.079 12.752 1.00 0.00 ATOM 90 OD2 ASP 11 1.107 -0.865 14.923 1.00 0.00 ATOM 91 O ASP 11 6.090 -0.857 12.453 1.00 0.00 ATOM 92 C ASP 11 5.478 -1.761 13.028 1.00 0.00 ATOM 93 N GLU 12 6.063 -2.673 13.745 1.00 0.00 ATOM 94 CA GLU 12 7.508 -2.624 13.961 1.00 0.00 ATOM 95 CB GLU 12 7.917 -3.668 15.018 1.00 0.00 ATOM 96 CG GLU 12 9.374 -3.541 15.429 1.00 0.00 ATOM 97 CD GLU 12 9.824 -4.644 16.364 1.00 0.00 ATOM 98 OE1 GLU 12 9.002 -5.091 17.196 1.00 0.00 ATOM 99 OE2 GLU 12 11.002 -5.052 16.274 1.00 0.00 ATOM 100 O GLU 12 9.220 -2.110 12.389 1.00 0.00 ATOM 101 C GLU 12 8.241 -2.811 12.660 1.00 0.00 ATOM 102 N ILE 13 7.848 -3.819 11.874 1.00 0.00 ATOM 103 CA ILE 13 8.524 -4.109 10.593 1.00 0.00 ATOM 104 CB ILE 13 7.857 -5.387 10.012 1.00 0.00 ATOM 105 CG1 ILE 13 8.279 -6.612 10.840 1.00 0.00 ATOM 106 CG2 ILE 13 8.260 -5.576 8.566 1.00 0.00 ATOM 107 CD1 ILE 13 7.526 -7.877 10.469 1.00 0.00 ATOM 108 O ILE 13 9.280 -2.526 8.946 1.00 0.00 ATOM 109 C ILE 13 8.348 -2.898 9.680 1.00 0.00 ATOM 110 N ARG 14 7.172 -2.331 9.671 1.00 0.00 ATOM 111 CA ARG 14 6.912 -1.144 8.827 1.00 0.00 ATOM 112 CB ARG 14 5.475 -0.736 8.924 1.00 0.00 ATOM 113 CG ARG 14 4.564 -1.815 8.343 1.00 0.00 ATOM 114 CD ARG 14 3.173 -1.277 8.105 1.00 0.00 ATOM 115 NE ARG 14 2.221 -2.309 7.788 1.00 0.00 ATOM 116 CZ ARG 14 1.171 -2.746 8.461 1.00 0.00 ATOM 117 NH1 ARG 14 0.817 -2.237 9.631 1.00 0.00 ATOM 118 NH2 ARG 14 0.449 -3.724 7.918 1.00 0.00 ATOM 119 O ARG 14 8.371 0.725 8.338 1.00 0.00 ATOM 120 C ARG 14 7.795 0.054 9.212 1.00 0.00 ATOM 121 N CYS 15 7.969 0.270 10.506 1.00 0.00 ATOM 122 CA CYS 15 8.804 1.384 10.957 1.00 0.00 ATOM 123 CB CYS 15 8.718 1.571 12.455 1.00 0.00 ATOM 124 SG CYS 15 7.104 2.232 13.000 1.00 0.00 ATOM 125 O CYS 15 10.959 2.060 10.199 1.00 0.00 ATOM 126 C CYS 15 10.245 1.111 10.555 1.00 0.00 ATOM 127 N CYS 16 10.655 -0.111 10.652 1.00 0.00 ATOM 128 CA CYS 16 12.038 -0.480 10.270 1.00 0.00 ATOM 129 CB CYS 16 12.302 -1.953 10.482 1.00 0.00 ATOM 130 SG CYS 16 12.299 -2.290 12.250 1.00 0.00 ATOM 131 O CYS 16 13.255 0.441 8.442 1.00 0.00 ATOM 132 C CYS 16 12.253 -0.142 8.822 1.00 0.00 ATOM 133 N TYR 17 11.303 -0.534 7.985 1.00 0.00 ATOM 134 CA TYR 17 11.374 -0.248 6.579 1.00 0.00 ATOM 135 CB TYR 17 10.403 -1.129 5.790 1.00 0.00 ATOM 136 CG TYR 17 10.695 -2.610 5.895 1.00 0.00 ATOM 137 CD1 TYR 17 11.903 -3.061 6.411 1.00 0.00 ATOM 138 CD2 TYR 17 9.762 -3.551 5.477 1.00 0.00 ATOM 139 CE1 TYR 17 12.179 -4.413 6.512 1.00 0.00 ATOM 140 CE2 TYR 17 10.021 -4.904 5.570 1.00 0.00 ATOM 141 CZ TYR 17 11.242 -5.330 6.090 1.00 0.00 ATOM 142 OH TYR 17 11.514 -6.676 6.189 1.00 0.00 ATOM 143 O TYR 17 10.871 1.466 5.002 1.00 0.00 ATOM 144 C TYR 17 10.965 1.185 6.216 1.00 0.00 ATOM 145 N LYS 18 10.827 2.027 7.314 1.00 0.00 ATOM 146 CA LYS 18 10.541 3.466 7.068 1.00 0.00 ATOM 147 CB LYS 18 11.595 4.008 6.103 1.00 0.00 ATOM 148 CG LYS 18 13.025 3.866 6.602 1.00 0.00 ATOM 149 CD LYS 18 14.016 4.455 5.610 1.00 0.00 ATOM 150 CE LYS 18 15.448 4.290 6.097 1.00 0.00 ATOM 151 NZ LYS 18 16.423 4.947 5.185 1.00 0.00 ATOM 152 O LYS 18 9.272 4.908 5.545 1.00 0.00 ATOM 153 C LYS 18 9.293 3.896 6.265 1.00 0.00 ATOM 154 N ILE 19 8.310 2.954 6.614 1.00 0.00 ATOM 155 CA ILE 19 7.050 3.183 5.902 1.00 0.00 ATOM 156 CB ILE 19 6.915 2.187 4.706 1.00 0.00 ATOM 157 CG1 ILE 19 7.951 2.551 3.633 1.00 0.00 ATOM 158 CG2 ILE 19 5.517 2.246 4.091 1.00 0.00 ATOM 159 CD1 ILE 19 8.082 1.504 2.548 1.00 0.00 ATOM 160 O ILE 19 5.828 2.179 7.725 1.00 0.00 ATOM 161 C ILE 19 5.859 3.036 6.843 1.00 0.00 ATOM 162 N THR 20 4.873 3.902 6.662 1.00 0.00 ATOM 163 CA THR 20 3.641 3.844 7.472 1.00 0.00 ATOM 164 CB THR 20 3.062 5.254 7.694 1.00 0.00 ATOM 165 CG2 THR 20 4.104 6.165 8.325 1.00 0.00 ATOM 166 OG1 THR 20 2.657 5.812 6.438 1.00 0.00 ATOM 167 O THR 20 2.779 2.685 5.539 1.00 0.00 ATOM 168 C THR 20 2.603 3.019 6.707 1.00 0.00 ATOM 169 N ASP 21 1.482 2.707 7.397 1.00 0.00 ATOM 170 CA ASP 21 0.386 1.984 6.775 1.00 0.00 ATOM 171 CB ASP 21 -0.793 1.858 7.742 1.00 0.00 ATOM 172 CG ASP 21 -0.552 0.822 8.823 1.00 0.00 ATOM 173 OD1 ASP 21 0.420 0.048 8.696 1.00 0.00 ATOM 174 OD2 ASP 21 -1.335 0.786 9.796 1.00 0.00 ATOM 175 O ASP 21 -0.380 2.024 4.512 1.00 0.00 ATOM 176 C ASP 21 -0.126 2.690 5.515 1.00 0.00 ATOM 177 N THR 22 -0.219 3.980 5.621 1.00 0.00 ATOM 178 CA THR 22 -0.700 4.753 4.475 1.00 0.00 ATOM 179 CB THR 22 -0.973 6.211 4.887 1.00 0.00 ATOM 180 CG2 THR 22 -1.505 7.007 3.706 1.00 0.00 ATOM 181 OG1 THR 22 -1.944 6.238 5.940 1.00 0.00 ATOM 182 O THR 22 -0.093 4.658 2.148 1.00 0.00 ATOM 183 C THR 22 0.294 4.758 3.314 1.00 0.00 ATOM 184 N ASP 23 1.575 4.874 3.639 1.00 0.00 ATOM 185 CA ASP 23 2.616 4.805 2.624 1.00 0.00 ATOM 186 CB ASP 23 3.989 5.062 3.247 1.00 0.00 ATOM 187 CG ASP 23 4.195 6.514 3.626 1.00 0.00 ATOM 188 OD1 ASP 23 3.382 7.362 3.197 1.00 0.00 ATOM 189 OD2 ASP 23 5.168 6.808 4.351 1.00 0.00 ATOM 190 O ASP 23 2.740 3.281 0.772 1.00 0.00 ATOM 191 C ASP 23 2.600 3.412 1.990 1.00 0.00 ATOM 192 N VAL 24 2.433 2.360 2.803 1.00 0.00 ATOM 193 CA VAL 24 2.368 0.996 2.281 1.00 0.00 ATOM 194 CB VAL 24 2.214 -0.022 3.425 1.00 0.00 ATOM 195 CG1 VAL 24 2.009 -1.422 2.870 1.00 0.00 ATOM 196 CG2 VAL 24 3.458 -0.030 4.301 1.00 0.00 ATOM 197 O VAL 24 1.333 0.316 0.217 1.00 0.00 ATOM 198 C VAL 24 1.202 0.889 1.300 1.00 0.00 ATOM 199 N ALA 25 0.078 1.458 1.676 1.00 0.00 ATOM 200 CA ALA 25 -1.094 1.423 0.817 1.00 0.00 ATOM 201 CB ALA 25 -2.269 2.124 1.607 1.00 0.00 ATOM 202 O ALA 25 -1.312 1.657 -1.562 1.00 0.00 ATOM 203 C ALA 25 -0.857 2.118 -0.522 1.00 0.00 ATOM 204 N VAL 26 -0.150 3.217 -0.490 1.00 0.00 ATOM 205 CA VAL 26 0.187 3.940 -1.705 1.00 0.00 ATOM 206 CB VAL 26 0.875 5.310 -1.350 1.00 0.00 ATOM 207 CG1 VAL 26 1.415 5.979 -2.606 1.00 0.00 ATOM 208 CG2 VAL 26 -0.118 6.226 -0.662 1.00 0.00 ATOM 209 O VAL 26 0.911 3.003 -3.795 1.00 0.00 ATOM 210 C VAL 26 1.100 3.086 -2.580 1.00 0.00 ATOM 211 N LEU 27 2.077 2.459 -1.953 1.00 0.00 ATOM 212 CA LEU 27 3.000 1.608 -2.689 1.00 0.00 ATOM 213 CB LEU 27 4.059 1.042 -1.746 1.00 0.00 ATOM 214 CG LEU 27 5.176 2.001 -1.290 1.00 0.00 ATOM 215 CD1 LEU 27 5.944 1.409 -0.138 1.00 0.00 ATOM 216 CD2 LEU 27 6.110 2.319 -2.403 1.00 0.00 ATOM 217 O LEU 27 2.527 0.125 -4.504 1.00 0.00 ATOM 218 C LEU 27 2.243 0.472 -3.373 1.00 0.00 ATOM 219 N LEU 28 1.285 -0.133 -2.649 1.00 0.00 ATOM 220 CA LEU 28 0.501 -1.253 -3.191 1.00 0.00 ATOM 221 CB LEU 28 -0.348 -1.865 -2.074 1.00 0.00 ATOM 222 CG LEU 28 0.415 -2.574 -0.954 1.00 0.00 ATOM 223 CD1 LEU 28 -0.528 -2.972 0.172 1.00 0.00 ATOM 224 CD2 LEU 28 1.091 -3.832 -1.476 1.00 0.00 ATOM 225 O LEU 28 -0.360 -1.418 -5.419 1.00 0.00 ATOM 226 C LEU 28 -0.353 -0.774 -4.359 1.00 0.00 ATOM 227 N LYS 29 -1.033 0.326 -4.197 1.00 0.00 ATOM 228 CA LYS 29 -1.876 0.854 -5.294 1.00 0.00 ATOM 229 CB LYS 29 -2.634 2.064 -4.883 1.00 0.00 ATOM 230 CG LYS 29 -3.798 1.732 -3.959 1.00 0.00 ATOM 231 CD LYS 29 -4.698 0.687 -4.604 1.00 0.00 ATOM 232 CE LYS 29 -5.868 0.317 -3.719 1.00 0.00 ATOM 233 NZ LYS 29 -6.713 -0.720 -4.379 1.00 0.00 ATOM 234 O LYS 29 -1.460 1.070 -7.638 1.00 0.00 ATOM 235 C LYS 29 -1.023 1.230 -6.471 1.00 0.00 ATOM 236 N MET 30 0.204 1.748 -6.201 1.00 0.00 ATOM 237 CA MET 30 1.089 2.120 -7.303 1.00 0.00 ATOM 238 CB MET 30 2.245 2.979 -6.794 1.00 0.00 ATOM 239 CG MET 30 1.839 4.365 -6.335 1.00 0.00 ATOM 240 SD MET 30 3.272 5.434 -6.087 1.00 0.00 ATOM 241 CE MET 30 3.805 4.845 -4.540 1.00 0.00 ATOM 242 O MET 30 1.695 0.945 -9.285 1.00 0.00 ATOM 243 C MET 30 1.522 0.894 -8.074 1.00 0.00 ATOM 244 N VAL 31 1.721 -0.215 -7.366 1.00 0.00 ATOM 245 CA VAL 31 2.110 -1.491 -8.010 1.00 0.00 ATOM 246 CB VAL 31 2.325 -2.614 -7.021 1.00 0.00 ATOM 247 CG1 VAL 31 2.503 -3.941 -7.751 1.00 0.00 ATOM 248 CG2 VAL 31 3.559 -2.308 -6.195 1.00 0.00 ATOM 249 O VAL 31 1.284 -2.332 -10.143 1.00 0.00 ATOM 250 C VAL 31 1.010 -1.953 -8.980 1.00 0.00 ATOM 251 N GLU 32 -0.220 -1.861 -8.510 1.00 0.00 ATOM 252 CA GLU 32 -1.406 -2.247 -9.292 1.00 0.00 ATOM 253 CB GLU 32 -2.644 -2.117 -8.410 1.00 0.00 ATOM 254 CG GLU 32 -2.821 -3.261 -7.439 1.00 0.00 ATOM 255 CD GLU 32 -4.066 -3.250 -6.580 1.00 0.00 ATOM 256 OE1 GLU 32 -4.827 -2.260 -6.520 1.00 0.00 ATOM 257 OE2 GLU 32 -4.271 -4.283 -5.903 1.00 0.00 ATOM 258 O GLU 32 -2.142 -1.799 -11.525 1.00 0.00 ATOM 259 C GLU 32 -1.592 -1.367 -10.503 1.00 0.00 ATOM 260 N ILE 33 -1.167 -0.075 -10.418 1.00 0.00 ATOM 261 CA ILE 33 -1.335 0.853 -11.539 1.00 0.00 ATOM 262 CB ILE 33 -1.680 2.284 -11.085 1.00 0.00 ATOM 263 CG1 ILE 33 -0.571 2.867 -10.217 1.00 0.00 ATOM 264 CG2 ILE 33 -2.992 2.262 -10.312 1.00 0.00 ATOM 265 CD1 ILE 33 -0.846 4.287 -9.766 1.00 0.00 ATOM 266 O ILE 33 -0.081 1.546 -13.476 1.00 0.00 ATOM 267 C ILE 33 -0.094 0.880 -12.442 1.00 0.00 ATOM 268 N GLU 34 0.894 0.067 -12.206 1.00 0.00 ATOM 269 CA GLU 34 2.070 -0.006 -13.065 1.00 0.00 ATOM 270 CB GLU 34 1.888 -1.351 -13.943 1.00 0.00 ATOM 271 CG GLU 34 1.246 -2.516 -13.204 1.00 0.00 ATOM 272 CD GLU 34 0.997 -3.717 -14.087 1.00 0.00 ATOM 273 OE1 GLU 34 0.528 -4.749 -13.558 1.00 0.00 ATOM 274 OE2 GLU 34 1.267 -3.641 -15.304 1.00 0.00 ATOM 275 O GLU 34 2.431 1.804 -14.668 1.00 0.00 ATOM 276 C GLU 34 2.520 1.418 -13.486 1.00 0.00 ATOM 277 N LYS 35 3.189 2.187 -12.508 1.00 0.00 ATOM 278 CA LYS 35 3.742 3.511 -12.737 1.00 0.00 ATOM 279 CB LYS 35 4.276 3.521 -14.225 1.00 0.00 ATOM 280 CG LYS 35 5.620 2.816 -14.345 1.00 0.00 ATOM 281 CD LYS 35 6.155 2.679 -15.753 1.00 0.00 ATOM 282 CE LYS 35 7.389 1.792 -15.836 1.00 0.00 ATOM 283 NZ LYS 35 8.469 2.538 -16.559 1.00 0.00 ATOM 284 O LYS 35 3.213 5.659 -11.896 1.00 0.00 ATOM 285 C LYS 35 2.873 4.748 -12.685 1.00 0.00 ATOM 286 N PRO 36 1.778 5.113 -13.461 1.00 0.00 ATOM 287 CA PRO 36 1.069 6.391 -13.394 1.00 0.00 ATOM 288 CB PRO 36 0.649 6.712 -14.858 1.00 0.00 ATOM 289 CG PRO 36 1.331 5.658 -15.680 1.00 0.00 ATOM 290 CD PRO 36 1.571 4.487 -14.736 1.00 0.00 ATOM 291 O PRO 36 -0.988 5.534 -12.515 1.00 0.00 ATOM 292 C PRO 36 -0.089 6.372 -12.406 1.00 0.00 ATOM 293 N ILE 37 -0.072 7.298 -11.452 1.00 0.00 ATOM 294 CA ILE 37 -1.204 7.497 -10.548 1.00 0.00 ATOM 295 CB ILE 37 -0.960 6.767 -9.193 1.00 0.00 ATOM 296 CG1 ILE 37 -2.235 6.759 -8.351 1.00 0.00 ATOM 297 CG2 ILE 37 0.184 7.434 -8.430 1.00 0.00 ATOM 298 CD1 ILE 37 -2.134 5.916 -7.091 1.00 0.00 ATOM 299 O ILE 37 -0.362 9.723 -10.219 1.00 0.00 ATOM 300 C ILE 37 -1.355 8.999 -10.307 1.00 0.00 ATOM 301 N THR 38 -2.590 9.458 -10.140 1.00 0.00 ATOM 302 CA THR 38 -2.821 10.872 -9.864 1.00 0.00 ATOM 303 CB THR 38 -4.029 11.573 -10.531 1.00 0.00 ATOM 304 CG2 THR 38 -3.975 11.408 -12.044 1.00 0.00 ATOM 305 OG1 THR 38 -5.249 11.012 -10.030 1.00 0.00 ATOM 306 O THR 38 -3.231 10.008 -7.655 1.00 0.00 ATOM 307 C THR 38 -2.888 10.979 -8.335 1.00 0.00 ATOM 308 N SER 39 -2.482 12.124 -7.796 1.00 0.00 ATOM 309 CA SER 39 -2.615 12.378 -6.370 1.00 0.00 ATOM 310 CB SER 39 -2.078 13.768 -6.022 1.00 0.00 ATOM 311 OG SER 39 -0.679 13.842 -6.239 1.00 0.00 ATOM 312 O SER 39 -4.406 11.749 -4.924 1.00 0.00 ATOM 313 C SER 39 -4.085 12.305 -5.972 1.00 0.00 ATOM 314 N GLU 40 -4.961 12.838 -6.816 1.00 0.00 ATOM 315 CA GLU 40 -6.406 12.828 -6.548 1.00 0.00 ATOM 316 CB GLU 40 -7.154 13.638 -7.608 1.00 0.00 ATOM 317 CG GLU 40 -6.918 15.138 -7.524 1.00 0.00 ATOM 318 CD GLU 40 -7.601 15.898 -8.644 1.00 0.00 ATOM 319 OE1 GLU 40 -8.206 15.248 -9.522 1.00 0.00 ATOM 320 OE2 GLU 40 -7.531 17.146 -8.643 1.00 0.00 ATOM 321 O GLU 40 -7.800 11.113 -5.631 1.00 0.00 ATOM 322 C GLU 40 -6.948 11.404 -6.464 1.00 0.00 ATOM 323 N GLU 41 -6.428 10.525 -7.320 1.00 0.00 ATOM 324 CA GLU 41 -6.871 9.131 -7.347 1.00 0.00 ATOM 325 CB GLU 41 -6.218 8.431 -8.555 1.00 0.00 ATOM 326 CG GLU 41 -6.880 7.116 -8.900 1.00 0.00 ATOM 327 CD GLU 41 -6.158 6.349 -9.975 1.00 0.00 ATOM 328 OE1 GLU 41 -5.736 6.973 -10.973 1.00 0.00 ATOM 329 OE2 GLU 41 -6.048 5.111 -9.836 1.00 0.00 ATOM 330 O GLU 41 -7.386 7.692 -5.511 1.00 0.00 ATOM 331 C GLU 41 -6.558 8.417 -6.037 1.00 0.00 ATOM 332 N LEU 42 -5.327 8.557 -5.564 1.00 0.00 ATOM 333 CA LEU 42 -4.921 7.980 -4.279 1.00 0.00 ATOM 334 CB LEU 42 -3.514 8.422 -3.928 1.00 0.00 ATOM 335 CG LEU 42 -2.482 7.578 -4.622 1.00 0.00 ATOM 336 CD1 LEU 42 -1.107 8.231 -4.520 1.00 0.00 ATOM 337 CD2 LEU 42 -2.435 6.210 -3.939 1.00 0.00 ATOM 338 O LEU 42 -6.188 7.830 -2.266 1.00 0.00 ATOM 339 C LEU 42 -5.767 8.557 -3.153 1.00 0.00 ATOM 340 N ALA 43 -5.966 9.848 -3.178 1.00 0.00 ATOM 341 CA ALA 43 -6.763 10.469 -2.132 1.00 0.00 ATOM 342 CB ALA 43 -6.885 11.948 -2.312 1.00 0.00 ATOM 343 O ALA 43 -8.736 9.552 -1.117 1.00 0.00 ATOM 344 C ALA 43 -8.155 9.862 -2.160 1.00 0.00 ATOM 345 N ASP 44 -8.705 9.673 -3.372 1.00 0.00 ATOM 346 CA ASP 44 -10.030 9.099 -3.481 1.00 0.00 ATOM 347 CB ASP 44 -10.414 9.038 -4.959 1.00 0.00 ATOM 348 CG ASP 44 -10.786 10.397 -5.522 1.00 0.00 ATOM 349 OD1 ASP 44 -10.975 11.338 -4.723 1.00 0.00 ATOM 350 OD2 ASP 44 -10.884 10.520 -6.761 1.00 0.00 ATOM 351 O ASP 44 -10.863 7.346 -2.081 1.00 0.00 ATOM 352 C ASP 44 -10.042 7.670 -2.937 1.00 0.00 ATOM 353 N ILE 45 -9.080 6.852 -3.374 1.00 0.00 ATOM 354 CA ILE 45 -8.992 5.455 -2.938 1.00 0.00 ATOM 355 CB ILE 45 -7.952 4.715 -3.917 1.00 0.00 ATOM 356 CG1 ILE 45 -8.406 4.548 -5.368 1.00 0.00 ATOM 357 CG2 ILE 45 -7.541 3.374 -3.338 1.00 0.00 ATOM 358 CD1 ILE 45 -7.296 4.185 -6.334 1.00 0.00 ATOM 359 O ILE 45 -9.171 4.382 -0.812 1.00 0.00 ATOM 360 C ILE 45 -8.713 5.328 -1.446 1.00 0.00 ATOM 361 N PHE 46 -7.991 6.279 -0.872 1.00 0.00 ATOM 362 CA PHE 46 -7.679 6.240 0.554 1.00 0.00 ATOM 363 CB PHE 46 -6.135 6.518 0.711 1.00 0.00 ATOM 364 CG PHE 46 -5.254 5.467 0.122 1.00 0.00 ATOM 365 CD1 PHE 46 -5.519 4.123 0.352 1.00 0.00 ATOM 366 CD2 PHE 46 -4.166 5.813 -0.674 1.00 0.00 ATOM 367 CE1 PHE 46 -4.716 3.131 -0.200 1.00 0.00 ATOM 368 CE2 PHE 46 -3.359 4.829 -1.228 1.00 0.00 ATOM 369 CZ PHE 46 -3.636 3.478 -0.989 1.00 0.00 ATOM 370 O PHE 46 -8.497 7.186 2.579 1.00 0.00 ATOM 371 C PHE 46 -8.627 7.107 1.364 1.00 0.00 ATOM 372 N LYS 47 -9.659 7.629 0.707 1.00 0.00 ATOM 373 CA LYS 47 -10.704 8.426 1.370 1.00 0.00 ATOM 374 CB LYS 47 -11.685 7.544 2.144 1.00 0.00 ATOM 375 CG LYS 47 -12.474 6.581 1.272 1.00 0.00 ATOM 376 CD LYS 47 -13.413 5.724 2.107 1.00 0.00 ATOM 377 CE LYS 47 -14.175 4.736 1.238 1.00 0.00 ATOM 378 NZ LYS 47 -15.014 3.814 2.053 1.00 0.00 ATOM 379 O LYS 47 -10.576 9.595 3.477 1.00 0.00 ATOM 380 C LYS 47 -10.089 9.425 2.353 1.00 0.00 ATOM 381 N LEU 48 -9.147 10.202 1.828 1.00 0.00 ATOM 382 CA LEU 48 -8.522 11.302 2.547 1.00 0.00 ATOM 383 CB LEU 48 -7.120 10.909 3.016 1.00 0.00 ATOM 384 CG LEU 48 -7.036 9.731 3.991 1.00 0.00 ATOM 385 CD1 LEU 48 -5.599 9.262 4.144 1.00 0.00 ATOM 386 CD2 LEU 48 -7.552 10.135 5.364 1.00 0.00 ATOM 387 O LEU 48 -8.402 12.388 0.414 1.00 0.00 ATOM 388 C LEU 48 -8.394 12.515 1.639 1.00 0.00 ATOM 389 N SER 49 -8.153 13.667 2.247 1.00 0.00 ATOM 390 CA SER 49 -7.984 14.894 1.473 1.00 0.00 ATOM 391 CB SER 49 -8.073 16.093 2.424 1.00 0.00 ATOM 392 OG SER 49 -6.926 16.180 3.228 1.00 0.00 ATOM 393 O SER 49 -5.663 14.509 1.044 1.00 0.00 ATOM 394 C SER 49 -6.753 14.857 0.577 1.00 0.00 ATOM 395 N LYS 50 -6.780 15.281 -0.750 1.00 0.00 ATOM 396 CA LYS 50 -5.572 15.420 -1.551 1.00 0.00 ATOM 397 CB LYS 50 -5.764 16.489 -2.629 1.00 0.00 ATOM 398 CG LYS 50 -4.595 16.614 -3.594 1.00 0.00 ATOM 399 CD LYS 50 -4.892 17.623 -4.691 1.00 0.00 ATOM 400 CE LYS 50 -3.677 17.850 -5.577 1.00 0.00 ATOM 401 NZ LYS 50 -3.957 18.824 -6.667 1.00 0.00 ATOM 402 O LYS 50 -3.281 15.328 -0.911 1.00 0.00 ATOM 403 C LYS 50 -4.387 15.830 -0.680 1.00 0.00 ATOM 404 N THR 51 -4.594 16.781 0.230 1.00 0.00 ATOM 405 CA THR 51 -3.524 17.257 1.121 1.00 0.00 ATOM 406 CB THR 51 -4.056 18.482 1.968 1.00 0.00 ATOM 407 CG2 THR 51 -4.463 19.633 1.063 1.00 0.00 ATOM 408 OG1 THR 51 -5.184 18.063 2.748 1.00 0.00 ATOM 409 O THR 51 -1.741 16.200 2.293 1.00 0.00 ATOM 410 C THR 51 -2.915 16.161 2.005 1.00 0.00 ATOM 411 N THR 52 -3.719 15.217 2.468 1.00 0.00 ATOM 412 CA THR 52 -3.200 14.036 3.176 1.00 0.00 ATOM 413 CB THR 52 -4.332 13.075 3.577 1.00 0.00 ATOM 414 CG2 THR 52 -3.767 11.845 4.271 1.00 0.00 ATOM 415 OG1 THR 52 -5.234 13.738 4.470 1.00 0.00 ATOM 416 O THR 52 -1.064 12.991 2.732 1.00 0.00 ATOM 417 C THR 52 -2.175 13.307 2.295 1.00 0.00 ATOM 418 N VAL 53 -2.523 13.053 1.029 1.00 0.00 ATOM 419 CA VAL 53 -1.619 12.369 0.113 1.00 0.00 ATOM 420 CB VAL 53 -2.296 12.092 -1.241 1.00 0.00 ATOM 421 CG1 VAL 53 -1.298 11.503 -2.226 1.00 0.00 ATOM 422 CG2 VAL 53 -3.444 11.108 -1.073 1.00 0.00 ATOM 423 O VAL 53 0.701 12.560 -0.471 1.00 0.00 ATOM 424 C VAL 53 -0.340 13.149 -0.173 1.00 0.00 ATOM 425 N GLU 54 -0.460 14.481 -0.264 1.00 0.00 ATOM 426 CA GLU 54 0.687 15.340 -0.529 1.00 0.00 ATOM 427 CB GLU 54 0.230 16.795 -0.642 1.00 0.00 ATOM 428 CG GLU 54 -0.586 17.095 -1.889 1.00 0.00 ATOM 429 CD GLU 54 -1.124 18.512 -1.907 1.00 0.00 ATOM 430 OE1 GLU 54 -0.922 19.237 -0.909 1.00 0.00 ATOM 431 OE2 GLU 54 -1.748 18.899 -2.917 1.00 0.00 ATOM 432 O GLU 54 2.939 15.113 0.299 1.00 0.00 ATOM 433 C GLU 54 1.730 15.184 0.577 1.00 0.00 ATOM 434 N ASN 55 1.251 15.078 1.810 1.00 0.00 ATOM 435 CA ASN 55 2.167 14.892 2.938 1.00 0.00 ATOM 436 CB ASN 55 1.437 15.043 4.274 1.00 0.00 ATOM 437 CG ASN 55 1.080 16.483 4.585 1.00 0.00 ATOM 438 ND2 ASN 55 0.102 16.674 5.462 1.00 0.00 ATOM 439 OD1 ASN 55 1.680 17.411 4.041 1.00 0.00 ATOM 440 O ASN 55 4.032 13.414 3.183 1.00 0.00 ATOM 441 C ASN 55 2.848 13.531 2.865 1.00 0.00 ATOM 442 N SER 56 2.108 12.498 2.425 1.00 0.00 ATOM 443 CA SER 56 2.665 11.151 2.316 1.00 0.00 ATOM 444 CB SER 56 1.592 10.136 1.918 1.00 0.00 ATOM 445 OG SER 56 0.644 9.963 2.958 1.00 0.00 ATOM 446 O SER 56 4.786 10.574 1.355 1.00 0.00 ATOM 447 C SER 56 3.745 11.200 1.235 1.00 0.00 ATOM 448 N LEU 57 3.395 11.811 0.108 1.00 0.00 ATOM 449 CA LEU 57 4.318 11.977 -1.008 1.00 0.00 ATOM 450 CB LEU 57 3.534 12.705 -2.145 1.00 0.00 ATOM 451 CG LEU 57 4.383 12.986 -3.416 1.00 0.00 ATOM 452 CD1 LEU 57 4.895 11.705 -4.034 1.00 0.00 ATOM 453 CD2 LEU 57 3.586 13.830 -4.399 1.00 0.00 ATOM 454 O LEU 57 6.667 12.301 -0.978 1.00 0.00 ATOM 455 C LEU 57 5.587 12.702 -0.578 1.00 0.00 ATOM 456 N LYS 58 5.468 13.749 0.252 1.00 0.00 ATOM 457 CA LYS 58 6.649 14.486 0.743 1.00 0.00 ATOM 458 CB LYS 58 6.227 15.583 1.722 1.00 0.00 ATOM 459 CG LYS 58 7.380 16.420 2.249 1.00 0.00 ATOM 460 CD LYS 58 6.884 17.534 3.157 1.00 0.00 ATOM 461 CE LYS 58 8.040 18.342 3.724 1.00 0.00 ATOM 462 NZ LYS 58 7.569 19.420 4.635 1.00 0.00 ATOM 463 O LYS 58 8.808 13.580 1.300 1.00 0.00 ATOM 464 C LYS 58 7.589 13.555 1.510 1.00 0.00 ATOM 465 N LYS 59 7.012 12.725 2.369 1.00 0.00 ATOM 466 CA LYS 59 7.809 11.792 3.163 1.00 0.00 ATOM 467 CB LYS 59 6.907 11.036 4.141 1.00 0.00 ATOM 468 CG LYS 59 7.653 10.089 5.068 1.00 0.00 ATOM 469 CD LYS 59 6.706 9.426 6.056 1.00 0.00 ATOM 470 CE LYS 59 7.445 8.443 6.952 1.00 0.00 ATOM 471 NZ LYS 59 6.525 7.768 7.910 1.00 0.00 ATOM 472 O LYS 59 9.736 10.593 2.391 1.00 0.00 ATOM 473 C LYS 59 8.533 10.809 2.255 1.00 0.00 ATOM 474 N LEU 60 7.772 10.202 1.361 1.00 0.00 ATOM 475 CA LEU 60 8.321 9.228 0.427 1.00 0.00 ATOM 476 CB LEU 60 7.214 8.655 -0.449 1.00 0.00 ATOM 477 CG LEU 60 6.195 7.787 0.287 1.00 0.00 ATOM 478 CD1 LEU 60 5.047 7.460 -0.653 1.00 0.00 ATOM 479 CD2 LEU 60 6.829 6.533 0.869 1.00 0.00 ATOM 480 O LEU 60 10.463 9.251 -0.690 1.00 0.00 ATOM 481 C LEU 60 9.401 9.836 -0.482 1.00 0.00 ATOM 482 N ILE 61 9.140 11.051 -1.026 1.00 0.00 ATOM 483 CA ILE 61 10.106 11.750 -1.905 1.00 0.00 ATOM 484 CB ILE 61 9.533 13.058 -2.480 1.00 0.00 ATOM 485 CG1 ILE 61 8.372 12.759 -3.432 1.00 0.00 ATOM 486 CG2 ILE 61 10.604 13.816 -3.249 1.00 0.00 ATOM 487 CD1 ILE 61 7.583 13.985 -3.836 1.00 0.00 ATOM 488 O ILE 61 12.491 11.963 -1.716 1.00 0.00 ATOM 489 C ILE 61 11.401 12.102 -1.168 1.00 0.00 ATOM 490 N GLU 62 11.267 12.526 0.084 1.00 0.00 ATOM 491 CA GLU 62 12.411 12.832 0.937 1.00 0.00 ATOM 492 CB GLU 62 11.856 13.483 2.239 1.00 0.00 ATOM 493 CG GLU 62 12.968 13.846 3.198 1.00 0.00 ATOM 494 CD GLU 62 12.544 14.784 4.319 1.00 0.00 ATOM 495 OE1 GLU 62 11.371 15.211 4.354 1.00 0.00 ATOM 496 OE2 GLU 62 13.409 15.104 5.158 1.00 0.00 ATOM 497 O GLU 62 14.529 11.730 1.218 1.00 0.00 ATOM 498 C GLU 62 13.310 11.607 1.155 1.00 0.00 ATOM 499 N LEU 63 12.699 10.427 1.149 1.00 0.00 ATOM 500 CA LEU 63 13.418 9.161 1.260 1.00 0.00 ATOM 501 CB LEU 63 12.571 8.129 2.006 1.00 0.00 ATOM 502 CG LEU 63 12.211 8.468 3.455 1.00 0.00 ATOM 503 CD1 LEU 63 11.291 7.408 4.041 1.00 0.00 ATOM 504 CD2 LEU 63 13.462 8.540 4.317 1.00 0.00 ATOM 505 O LEU 63 14.512 7.714 -0.322 1.00 0.00 ATOM 506 C LEU 63 13.772 8.693 -0.141 1.00 0.00 ATOM 507 N GLY 64 13.285 9.239 -1.193 1.00 0.00 ATOM 508 CA GLY 64 13.569 8.862 -2.558 1.00 0.00 ATOM 509 O GLY 64 13.131 6.923 -3.920 1.00 0.00 ATOM 510 C GLY 64 12.775 7.648 -2.979 1.00 0.00 ATOM 511 N LEU 65 11.606 7.244 -2.285 1.00 0.00 ATOM 512 CA LEU 65 10.804 6.068 -2.583 1.00 0.00 ATOM 513 CB LEU 65 10.083 5.574 -1.328 1.00 0.00 ATOM 514 CG LEU 65 10.967 5.242 -0.124 1.00 0.00 ATOM 515 CD1 LEU 65 10.118 4.848 1.075 1.00 0.00 ATOM 516 CD2 LEU 65 11.902 4.086 -0.447 1.00 0.00 ATOM 517 O LEU 65 9.462 5.362 -4.480 1.00 0.00 ATOM 518 C LEU 65 9.820 6.290 -3.732 1.00 0.00 ATOM 519 N VAL 66 9.401 7.545 -3.843 1.00 0.00 ATOM 520 CA VAL 66 8.481 7.909 -4.918 1.00 0.00 ATOM 521 CB VAL 66 7.051 8.229 -4.444 1.00 0.00 ATOM 522 CG1 VAL 66 6.408 6.996 -3.824 1.00 0.00 ATOM 523 CG2 VAL 66 7.071 9.336 -3.401 1.00 0.00 ATOM 524 O VAL 66 9.831 9.890 -5.003 1.00 0.00 ATOM 525 C VAL 66 9.043 9.153 -5.601 1.00 0.00 ATOM 526 N VAL 67 8.542 9.419 -6.801 1.00 0.00 ATOM 527 CA VAL 67 8.818 10.660 -7.514 1.00 0.00 ATOM 528 CB VAL 67 9.592 10.401 -8.823 1.00 0.00 ATOM 529 CG1 VAL 67 9.752 11.705 -9.600 1.00 0.00 ATOM 530 CG2 VAL 67 10.948 9.799 -8.517 1.00 0.00 ATOM 531 O VAL 67 6.533 10.581 -8.218 1.00 0.00 ATOM 532 C VAL 67 7.498 11.291 -7.915 1.00 0.00 ATOM 533 N ARG 68 7.466 12.616 -7.914 1.00 0.00 ATOM 534 CA ARG 68 6.364 13.354 -8.471 1.00 0.00 ATOM 535 CB ARG 68 5.891 14.402 -7.466 1.00 0.00 ATOM 536 CG ARG 68 7.000 15.321 -6.929 1.00 0.00 ATOM 537 CD ARG 68 6.442 16.352 -5.952 1.00 0.00 ATOM 538 NE ARG 68 7.493 17.092 -5.250 1.00 0.00 ATOM 539 CZ ARG 68 8.186 18.105 -5.764 1.00 0.00 ATOM 540 NH1 ARG 68 7.952 18.523 -7.001 1.00 0.00 ATOM 541 NH2 ARG 68 9.124 18.699 -5.035 1.00 0.00 ATOM 542 O ARG 68 7.813 14.437 -10.053 1.00 0.00 ATOM 543 C ARG 68 6.746 13.872 -9.856 1.00 0.00 ATOM 544 N THR 69 5.859 13.672 -10.716 1.00 0.00 ATOM 545 CA THR 69 5.964 14.248 -12.049 1.00 0.00 ATOM 546 CB THR 69 6.339 13.169 -13.126 1.00 0.00 ATOM 547 CG2 THR 69 7.715 12.575 -12.866 1.00 0.00 ATOM 548 OG1 THR 69 5.358 12.130 -13.106 1.00 0.00 ATOM 549 O THR 69 3.597 14.759 -11.870 1.00 0.00 ATOM 550 C THR 69 4.680 15.020 -12.410 1.00 0.00 ATOM 551 N LYS 70 4.742 15.949 -13.163 1.00 0.00 ATOM 552 CA LYS 70 3.563 16.669 -13.613 1.00 0.00 ATOM 553 CB LYS 70 3.964 17.927 -14.383 1.00 0.00 ATOM 554 CG LYS 70 4.629 18.993 -13.527 1.00 0.00 ATOM 555 CD LYS 70 4.962 20.232 -14.346 1.00 0.00 ATOM 556 CE LYS 70 5.678 21.273 -13.503 1.00 0.00 ATOM 557 NZ LYS 70 6.014 22.491 -14.292 1.00 0.00 ATOM 558 O LYS 70 3.268 14.871 -15.185 1.00 0.00 ATOM 559 C LYS 70 2.733 15.745 -14.502 1.00 0.00 ATOM 560 N THR 71 1.353 15.908 -14.474 1.00 0.00 ATOM 561 CA THR 71 0.466 15.070 -15.267 1.00 0.00 ATOM 562 CB THR 71 -0.957 15.169 -14.735 1.00 0.00 ATOM 563 CG2 THR 71 -1.900 14.250 -15.509 1.00 0.00 ATOM 564 OG1 THR 71 -0.976 14.759 -13.358 1.00 0.00 ATOM 565 O THR 71 0.388 16.833 -16.866 1.00 0.00 ATOM 566 C THR 71 0.452 15.624 -16.679 1.00 0.00 ATOM 567 N GLU 72 0.380 14.742 -17.671 1.00 0.00 ATOM 568 CA GLU 72 0.507 15.177 -19.066 1.00 0.00 ATOM 569 CB GLU 72 0.792 13.981 -19.976 1.00 0.00 ATOM 570 CG GLU 72 2.147 13.332 -19.743 1.00 0.00 ATOM 571 CD GLU 72 2.367 12.110 -20.611 1.00 0.00 ATOM 572 OE1 GLU 72 1.452 11.762 -21.388 1.00 0.00 ATOM 573 OE2 GLU 72 3.453 11.500 -20.515 1.00 0.00 ATOM 574 O GLU 72 -0.734 16.653 -20.492 1.00 0.00 ATOM 575 C GLU 72 -0.771 15.887 -19.530 1.00 0.00 ATOM 576 N GLY 73 -1.934 15.569 -18.887 1.00 0.00 ATOM 577 CA GLY 73 -3.179 16.206 -19.262 1.00 0.00 ATOM 578 O GLY 73 -3.624 18.555 -19.251 1.00 0.00 ATOM 579 C GLY 73 -3.287 17.569 -18.598 1.00 0.00 ATOM 580 N LYS 74 -2.920 17.584 -17.248 1.00 0.00 ATOM 581 CA LYS 74 -2.887 18.831 -16.483 1.00 0.00 ATOM 582 CB LYS 74 -4.146 19.018 -15.634 1.00 0.00 ATOM 583 CG LYS 74 -5.456 18.672 -16.356 1.00 0.00 ATOM 584 CD LYS 74 -5.678 19.434 -17.674 1.00 0.00 ATOM 585 CE LYS 74 -6.949 18.980 -18.343 1.00 0.00 ATOM 586 NZ LYS 74 -7.093 19.611 -19.680 1.00 0.00 ATOM 587 O LYS 74 -1.317 18.138 -14.818 1.00 0.00 ATOM 588 C LYS 74 -1.577 18.929 -15.725 1.00 0.00 ATOM 589 N LYS 75 -0.720 19.850 -16.147 1.00 0.00 ATOM 590 CA LYS 75 0.639 19.911 -15.624 1.00 0.00 ATOM 591 CB LYS 75 1.432 21.021 -16.318 1.00 0.00 ATOM 592 CG LYS 75 1.732 20.746 -17.781 1.00 0.00 ATOM 593 CD LYS 75 2.493 21.900 -18.415 1.00 0.00 ATOM 594 CE LYS 75 2.829 21.609 -19.868 1.00 0.00 ATOM 595 NZ LYS 75 3.550 22.743 -20.510 1.00 0.00 ATOM 596 O LYS 75 1.604 19.799 -13.435 1.00 0.00 ATOM 597 C LYS 75 0.653 20.173 -14.121 1.00 0.00 ATOM 598 N ILE 76 -0.379 20.831 -13.628 1.00 0.00 ATOM 599 CA ILE 76 -0.468 21.139 -12.202 1.00 0.00 ATOM 600 CB ILE 76 -1.626 22.114 -11.925 1.00 0.00 ATOM 601 CG1 ILE 76 -2.969 21.452 -12.237 1.00 0.00 ATOM 602 CG2 ILE 76 -1.492 23.361 -12.788 1.00 0.00 ATOM 603 CD1 ILE 76 -4.167 22.268 -11.809 1.00 0.00 ATOM 604 O ILE 76 -0.243 19.998 -10.145 1.00 0.00 ATOM 605 C ILE 76 -0.678 19.946 -11.276 1.00 0.00 ATOM 606 N GLY 77 -1.384 18.842 -11.771 1.00 0.00 ATOM 607 CA GLY 77 -1.629 17.668 -10.940 1.00 0.00 ATOM 608 O GLY 77 0.439 16.887 -11.851 1.00 0.00 ATOM 609 C GLY 77 -0.338 16.873 -10.895 1.00 0.00 ATOM 610 N ARG 78 -0.147 16.103 -9.824 1.00 0.00 ATOM 611 CA ARG 78 1.041 15.280 -9.655 1.00 0.00 ATOM 612 CB ARG 78 1.785 15.721 -8.361 1.00 0.00 ATOM 613 CG ARG 78 2.326 17.157 -8.367 1.00 0.00 ATOM 614 CD ARG 78 2.977 17.533 -7.034 1.00 0.00 ATOM 615 NE ARG 78 1.997 17.657 -5.958 1.00 0.00 ATOM 616 CZ ARG 78 2.298 17.943 -4.697 1.00 0.00 ATOM 617 NH1 ARG 78 3.559 18.137 -4.343 1.00 0.00 ATOM 618 NH2 ARG 78 1.334 18.042 -3.791 1.00 0.00 ATOM 619 O ARG 78 -0.038 13.255 -9.058 1.00 0.00 ATOM 620 C ARG 78 0.729 13.792 -9.846 1.00 0.00 ATOM 621 N PRO 79 1.482 13.111 -10.716 1.00 0.00 ATOM 622 CA PRO 79 1.469 11.641 -10.779 1.00 0.00 ATOM 623 CB PRO 79 1.616 11.367 -12.275 1.00 0.00 ATOM 624 CG PRO 79 2.427 12.508 -12.741 1.00 0.00 ATOM 625 CD PRO 79 1.881 13.692 -12.007 1.00 0.00 ATOM 626 O PRO 79 3.708 11.580 -9.972 1.00 0.00 ATOM 627 C PRO 79 2.585 11.068 -9.936 1.00 0.00 ATOM 628 N LYS 80 2.293 9.958 -9.258 1.00 0.00 ATOM 629 CA LYS 80 3.323 9.137 -8.639 1.00 0.00 ATOM 630 CB LYS 80 2.879 8.679 -7.248 1.00 0.00 ATOM 631 CG LYS 80 2.701 9.812 -6.249 1.00 0.00 ATOM 632 CD LYS 80 2.226 9.289 -4.903 1.00 0.00 ATOM 633 CE LYS 80 2.062 10.419 -3.900 1.00 0.00 ATOM 634 NZ LYS 80 1.635 9.919 -2.565 1.00 0.00 ATOM 635 O LYS 80 2.749 7.236 -9.977 1.00 0.00 ATOM 636 C LYS 80 3.635 7.866 -9.395 1.00 0.00 ATOM 637 N TYR 81 5.017 7.916 -9.543 1.00 0.00 ATOM 638 CA TYR 81 5.433 6.604 -10.015 1.00 0.00 ATOM 639 CB TYR 81 6.024 6.651 -11.424 1.00 0.00 ATOM 640 CG TYR 81 7.283 7.481 -11.533 1.00 0.00 ATOM 641 CD1 TYR 81 8.535 6.900 -11.368 1.00 0.00 ATOM 642 CD2 TYR 81 7.218 8.842 -11.798 1.00 0.00 ATOM 643 CE1 TYR 81 9.691 7.650 -11.465 1.00 0.00 ATOM 644 CE2 TYR 81 8.363 9.609 -11.900 1.00 0.00 ATOM 645 CZ TYR 81 9.605 9.001 -11.730 1.00 0.00 ATOM 646 OH TYR 81 10.756 9.750 -11.826 1.00 0.00 ATOM 647 O TYR 81 7.169 6.796 -8.353 1.00 0.00 ATOM 648 C TYR 81 6.492 6.043 -9.073 1.00 0.00 ATOM 649 N TYR 82 6.716 4.735 -9.130 1.00 0.00 ATOM 650 CA TYR 82 7.783 4.128 -8.306 1.00 0.00 ATOM 651 CB TYR 82 7.398 2.647 -7.946 1.00 0.00 ATOM 652 CG TYR 82 7.424 1.713 -9.139 1.00 0.00 ATOM 653 CD1 TYR 82 8.612 1.082 -9.540 1.00 0.00 ATOM 654 CD2 TYR 82 6.266 1.465 -9.871 1.00 0.00 ATOM 655 CE1 TYR 82 8.636 0.230 -10.644 1.00 0.00 ATOM 656 CE2 TYR 82 6.282 0.607 -10.987 1.00 0.00 ATOM 657 CZ TYR 82 7.463 -0.001 -11.360 1.00 0.00 ATOM 658 OH TYR 82 7.477 -0.847 -12.455 1.00 0.00 ATOM 659 O TYR 82 9.326 4.069 -10.039 1.00 0.00 ATOM 660 C TYR 82 9.147 4.392 -8.883 1.00 0.00 ATOM 661 N TYR 83 10.127 4.637 -8.019 1.00 0.00 ATOM 662 CA TYR 83 11.533 4.521 -8.392 1.00 0.00 ATOM 663 CB TYR 83 12.405 4.833 -7.202 1.00 0.00 ATOM 664 CG TYR 83 12.724 6.261 -6.915 1.00 0.00 ATOM 665 CD1 TYR 83 14.066 6.609 -6.757 1.00 0.00 ATOM 666 CD2 TYR 83 11.740 7.247 -6.753 1.00 0.00 ATOM 667 CE1 TYR 83 14.396 7.914 -6.478 1.00 0.00 ATOM 668 CE2 TYR 83 12.078 8.553 -6.474 1.00 0.00 ATOM 669 CZ TYR 83 13.402 8.865 -6.326 1.00 0.00 ATOM 670 OH TYR 83 13.834 10.147 -6.007 1.00 0.00 ATOM 671 O TYR 83 11.151 2.222 -7.761 1.00 0.00 ATOM 672 C TYR 83 11.926 3.041 -8.294 1.00 0.00 ATOM 673 N SER 84 13.220 2.842 -8.841 1.00 0.00 ATOM 674 CA SER 84 13.796 1.500 -8.748 1.00 0.00 ATOM 675 CB SER 84 15.196 1.461 -9.316 1.00 0.00 ATOM 676 OG SER 84 15.167 1.693 -10.715 1.00 0.00 ATOM 677 O SER 84 13.414 -0.042 -6.963 1.00 0.00 ATOM 678 C SER 84 13.787 1.080 -7.285 1.00 0.00 ATOM 679 N ILE 85 14.193 1.996 -6.407 1.00 0.00 ATOM 680 CA ILE 85 14.365 1.695 -4.987 1.00 0.00 ATOM 681 CB ILE 85 15.064 2.850 -4.245 1.00 0.00 ATOM 682 CG1 ILE 85 16.516 2.980 -4.706 1.00 0.00 ATOM 683 CG2 ILE 85 15.054 2.603 -2.744 1.00 0.00 ATOM 684 CD1 ILE 85 17.198 4.244 -4.229 1.00 0.00 ATOM 685 O ILE 85 12.795 0.484 -3.606 1.00 0.00 ATOM 686 C ILE 85 12.990 1.463 -4.369 1.00 0.00 ATOM 687 N SER 86 11.907 2.291 -4.684 1.00 0.00 ATOM 688 CA SER 86 10.548 2.105 -4.151 1.00 0.00 ATOM 689 CB SER 86 9.639 3.245 -4.497 1.00 0.00 ATOM 690 OG SER 86 9.458 3.309 -5.882 1.00 0.00 ATOM 691 O SER 86 9.086 0.261 -3.872 1.00 0.00 ATOM 692 C SER 86 9.872 0.831 -4.610 1.00 0.00 ATOM 693 N SER 87 10.151 0.420 -5.847 1.00 0.00 ATOM 694 CA SER 87 9.697 -0.862 -6.379 1.00 0.00 ATOM 695 CB SER 87 10.206 -1.098 -7.777 1.00 0.00 ATOM 696 OG SER 87 9.752 -2.348 -8.267 1.00 0.00 ATOM 697 O SER 87 9.471 -2.866 -5.075 1.00 0.00 ATOM 698 C SER 87 10.222 -1.995 -5.499 1.00 0.00 ATOM 699 N ASN 88 11.501 -1.928 -5.173 1.00 0.00 ATOM 700 CA ASN 88 12.135 -2.923 -4.321 1.00 0.00 ATOM 701 CB ASN 88 13.631 -2.636 -4.185 1.00 0.00 ATOM 702 CG ASN 88 14.404 -2.961 -5.449 1.00 0.00 ATOM 703 ND2 ASN 88 15.592 -2.384 -5.579 1.00 0.00 ATOM 704 OD1 ASN 88 13.936 -3.722 -6.296 1.00 0.00 ATOM 705 O ASN 88 11.209 -3.981 -2.373 1.00 0.00 ATOM 706 C ASN 88 11.551 -2.933 -2.906 1.00 0.00 ATOM 707 N ILE 89 11.235 -1.753 -2.392 1.00 0.00 ATOM 708 CA ILE 89 10.645 -1.614 -1.057 1.00 0.00 ATOM 709 CB ILE 89 10.634 -0.150 -0.581 1.00 0.00 ATOM 710 CG1 ILE 89 12.060 0.393 -0.490 1.00 0.00 ATOM 711 CG2 ILE 89 9.990 -0.042 0.793 1.00 0.00 ATOM 712 CD1 ILE 89 12.943 -0.365 0.478 1.00 0.00 ATOM 713 O ILE 89 8.786 -2.676 0.010 1.00 0.00 ATOM 714 C ILE 89 9.211 -2.131 -1.016 1.00 0.00 ATOM 715 N LEU 90 8.440 -1.866 -2.072 1.00 0.00 ATOM 716 CA LEU 90 7.079 -2.361 -2.171 1.00 0.00 ATOM 717 CB LEU 90 6.456 -1.796 -3.467 1.00 0.00 ATOM 718 CG LEU 90 5.020 -2.261 -3.776 1.00 0.00 ATOM 719 CD1 LEU 90 4.058 -1.956 -2.643 1.00 0.00 ATOM 720 CD2 LEU 90 4.576 -1.633 -5.084 1.00 0.00 ATOM 721 O LEU 90 6.150 -4.430 -1.456 1.00 0.00 ATOM 722 C LEU 90 7.061 -3.886 -2.083 1.00 0.00 ATOM 723 N GLU 91 7.932 -4.553 -2.859 1.00 0.00 ATOM 724 CA GLU 91 7.988 -6.001 -2.850 1.00 0.00 ATOM 725 CB GLU 91 9.007 -6.525 -3.880 1.00 0.00 ATOM 726 CG GLU 91 8.652 -6.107 -5.295 1.00 0.00 ATOM 727 CD GLU 91 9.689 -6.546 -6.308 1.00 0.00 ATOM 728 OE1 GLU 91 10.888 -6.272 -6.094 1.00 0.00 ATOM 729 OE2 GLU 91 9.203 -7.116 -7.304 1.00 0.00 ATOM 730 O GLU 91 7.656 -7.515 -0.986 1.00 0.00 ATOM 731 C GLU 91 8.280 -6.549 -1.469 1.00 0.00 ATOM 732 N LYS 92 9.287 -5.978 -0.806 1.00 0.00 ATOM 733 CA LYS 92 9.641 -6.471 0.536 1.00 0.00 ATOM 734 CB LYS 92 10.947 -5.815 1.055 1.00 0.00 ATOM 735 CG LYS 92 12.213 -6.323 0.314 1.00 0.00 ATOM 736 CD LYS 92 13.463 -5.765 0.901 1.00 0.00 ATOM 737 CE LYS 92 14.677 -6.029 0.052 1.00 0.00 ATOM 738 NZ LYS 92 15.883 -5.242 0.475 1.00 0.00 ATOM 739 O LYS 92 8.287 -7.168 2.382 1.00 0.00 ATOM 740 C LYS 92 8.525 -6.267 1.547 1.00 0.00 ATOM 741 N ILE 93 7.809 -5.146 1.477 1.00 0.00 ATOM 742 CA ILE 93 6.660 -4.960 2.377 1.00 0.00 ATOM 743 CB ILE 93 6.136 -3.523 2.375 1.00 0.00 ATOM 744 CG1 ILE 93 7.229 -2.599 2.929 1.00 0.00 ATOM 745 CG2 ILE 93 4.805 -3.411 3.151 1.00 0.00 ATOM 746 CD1 ILE 93 6.919 -1.129 2.774 1.00 0.00 ATOM 747 O ILE 93 4.963 -6.608 2.907 1.00 0.00 ATOM 748 C ILE 93 5.557 -5.948 2.039 1.00 0.00 ATOM 749 N ARG 94 5.265 -6.145 0.763 1.00 0.00 ATOM 750 CA ARG 94 4.196 -7.066 0.368 1.00 0.00 ATOM 751 CB ARG 94 3.953 -6.989 -1.141 1.00 0.00 ATOM 752 CG ARG 94 2.813 -7.867 -1.633 1.00 0.00 ATOM 753 CD ARG 94 2.546 -7.650 -3.113 1.00 0.00 ATOM 754 NE ARG 94 1.453 -8.488 -3.601 1.00 0.00 ATOM 755 CZ ARG 94 1.060 -8.536 -4.869 1.00 0.00 ATOM 756 NH1 ARG 94 0.055 -9.329 -5.220 1.00 0.00 ATOM 757 NH2 ARG 94 1.670 -7.796 -5.783 1.00 0.00 ATOM 758 O ARG 94 3.733 -9.254 1.289 1.00 0.00 ATOM 759 C ARG 94 4.552 -8.532 0.716 1.00 0.00 ATOM 760 N ASN 95 5.804 -8.914 0.467 1.00 0.00 ATOM 761 CA ASN 95 6.285 -10.258 0.795 1.00 0.00 ATOM 762 CB ASN 95 7.722 -10.477 0.292 1.00 0.00 ATOM 763 CG ASN 95 7.784 -10.760 -1.198 1.00 0.00 ATOM 764 ND2 ASN 95 8.913 -10.426 -1.816 1.00 0.00 ATOM 765 OD1 ASN 95 6.828 -11.277 -1.790 1.00 0.00 ATOM 766 O ASN 95 5.672 -11.480 2.782 1.00 0.00 ATOM 767 C ASN 95 6.236 -10.490 2.310 1.00 0.00 ATOM 768 N ASP 96 6.793 -9.550 3.071 1.00 0.00 ATOM 769 CA ASP 96 6.826 -9.662 4.525 1.00 0.00 ATOM 770 CB ASP 96 7.573 -8.480 5.146 1.00 0.00 ATOM 771 CG ASP 96 9.042 -8.809 4.951 1.00 0.00 ATOM 772 OD1 ASP 96 9.413 -9.960 4.637 1.00 0.00 ATOM 773 OD2 ASP 96 9.784 -7.840 5.116 1.00 0.00 ATOM 774 O ASP 96 5.164 -10.392 6.089 1.00 0.00 ATOM 775 C ASP 96 5.440 -9.623 5.166 1.00 0.00 ATOM 776 N LEU 97 4.557 -8.761 4.661 1.00 0.00 ATOM 777 CA LEU 97 3.196 -8.680 5.200 1.00 0.00 ATOM 778 CB LEU 97 2.524 -7.402 4.715 1.00 0.00 ATOM 779 CG LEU 97 1.080 -7.074 5.122 1.00 0.00 ATOM 780 CD1 LEU 97 0.859 -7.254 6.619 1.00 0.00 ATOM 781 CD2 LEU 97 0.786 -5.634 4.706 1.00 0.00 ATOM 782 O LEU 97 1.710 -10.440 5.847 1.00 0.00 ATOM 783 C LEU 97 2.453 -9.991 4.976 1.00 0.00 ATOM 784 N LEU 98 2.629 -10.597 3.805 1.00 0.00 ATOM 785 CA LEU 98 1.996 -11.873 3.483 1.00 0.00 ATOM 786 CB LEU 98 2.300 -12.282 2.039 1.00 0.00 ATOM 787 CG LEU 98 1.659 -11.428 0.944 1.00 0.00 ATOM 788 CD1 LEU 98 2.189 -11.824 -0.425 1.00 0.00 ATOM 789 CD2 LEU 98 0.148 -11.607 0.938 1.00 0.00 ATOM 790 O LEU 98 1.757 -13.763 4.936 1.00 0.00 ATOM 791 C LEU 98 2.522 -12.955 4.425 1.00 0.00 ATOM 792 N ASN 99 3.800 -12.893 4.701 1.00 0.00 ATOM 793 CA ASN 99 4.415 -13.875 5.590 1.00 0.00 ATOM 794 CB ASN 99 5.933 -13.695 5.555 1.00 0.00 ATOM 795 CG ASN 99 6.547 -14.180 4.257 1.00 0.00 ATOM 796 ND2 ASN 99 7.752 -13.707 3.961 1.00 0.00 ATOM 797 OD1 ASN 99 5.942 -14.967 3.528 1.00 0.00 ATOM 798 O ASN 99 3.620 -14.724 7.664 1.00 0.00 ATOM 799 C ASN 99 3.917 -13.721 6.998 1.00 0.00 ATOM 800 N CYS 100 3.778 -12.472 7.469 1.00 0.00 ATOM 801 CA CYS 100 3.248 -12.287 8.818 1.00 0.00 ATOM 802 CB CYS 100 3.265 -10.835 9.246 1.00 0.00 ATOM 803 SG CYS 100 4.943 -10.191 9.570 1.00 0.00 ATOM 804 O CYS 100 1.433 -13.524 9.792 1.00 0.00 ATOM 805 C CYS 100 1.807 -12.794 8.876 1.00 0.00 ATOM 806 N ALA 101 1.058 -12.480 7.876 1.00 0.00 ATOM 807 CA ALA 101 -0.337 -12.906 7.820 1.00 0.00 ATOM 808 CB ALA 101 -1.063 -12.223 6.640 1.00 0.00 ATOM 809 O ALA 101 -1.311 -14.998 8.441 1.00 0.00 ATOM 810 C ALA 101 -0.503 -14.418 7.720 1.00 0.00 ATOM 811 N LYS 102 0.316 -15.039 6.896 1.00 0.00 ATOM 812 CA LYS 102 0.223 -16.488 6.731 1.00 0.00 ATOM 813 CB LYS 102 0.941 -17.046 5.602 1.00 0.00 ATOM 814 CG LYS 102 0.436 -16.532 4.267 1.00 0.00 ATOM 815 CD LYS 102 1.318 -17.034 3.146 1.00 0.00 ATOM 816 CE LYS 102 0.872 -16.472 1.808 1.00 0.00 ATOM 817 NZ LYS 102 1.777 -16.945 0.726 1.00 0.00 ATOM 818 O LYS 102 0.008 -18.167 8.436 1.00 0.00 ATOM 819 C LYS 102 0.649 -17.202 8.013 1.00 0.00 ATOM 820 N ARG 103 1.716 -16.801 8.668 1.00 0.00 ATOM 821 CA ARG 103 2.131 -17.374 9.947 1.00 0.00 ATOM 822 CB ARG 103 3.441 -16.723 10.428 1.00 0.00 ATOM 823 CG ARG 103 4.690 -17.235 9.764 1.00 0.00 ATOM 824 CD ARG 103 5.946 -16.721 10.476 1.00 0.00 ATOM 825 NE ARG 103 6.237 -15.300 10.247 1.00 0.00 ATOM 826 CZ ARG 103 6.024 -14.329 11.140 1.00 0.00 ATOM 827 NH1 ARG 103 5.508 -14.616 12.335 1.00 0.00 ATOM 828 NH2 ARG 103 6.347 -13.071 10.851 1.00 0.00 ATOM 829 O ARG 103 0.685 -18.112 11.655 1.00 0.00 ATOM 830 C ARG 103 0.995 -17.176 10.957 1.00 0.00 ATOM 831 N MET 104 0.331 -16.012 10.966 1.00 0.00 ATOM 832 CA MET 104 -0.664 -15.684 11.992 1.00 0.00 ATOM 833 CB MET 104 -0.946 -14.186 12.056 1.00 0.00 ATOM 834 CG MET 104 0.181 -13.377 12.672 1.00 0.00 ATOM 835 SD MET 104 0.635 -13.893 14.333 1.00 0.00 ATOM 836 CE MET 104 -0.945 -13.689 15.188 1.00 0.00 ATOM 837 O MET 104 -2.461 -17.048 12.675 1.00 0.00 ATOM 838 C MET 104 -1.889 -16.499 11.756 1.00 0.00 ATOM 839 N GLU 105 -2.348 -16.589 10.495 1.00 0.00 ATOM 840 CA GLU 105 -3.519 -17.381 10.187 1.00 0.00 ATOM 841 CB GLU 105 -3.784 -17.432 8.716 1.00 0.00 ATOM 842 CG GLU 105 -4.141 -15.983 8.268 1.00 0.00 ATOM 843 CD GLU 105 -4.569 -15.737 6.839 1.00 0.00 ATOM 844 OE1 GLU 105 -4.511 -16.778 6.034 1.00 0.00 ATOM 845 OE2 GLU 105 -4.916 -14.630 6.469 1.00 0.00 ATOM 846 O GLU 105 -4.099 -19.511 11.148 1.00 0.00 ATOM 847 C GLU 105 -3.227 -18.844 10.561 1.00 0.00 ATOM 848 N LEU 106 -2.030 -19.289 10.251 1.00 0.00 ATOM 849 CA LEU 106 -1.632 -20.650 10.636 1.00 0.00 ATOM 850 CB LEU 106 -0.217 -20.966 10.136 1.00 0.00 ATOM 851 CG LEU 106 0.325 -22.353 10.514 1.00 0.00 ATOM 852 CD1 LEU 106 -0.621 -23.430 10.009 1.00 0.00 ATOM 853 CD2 LEU 106 1.712 -22.544 9.915 1.00 0.00 ATOM 854 O LEU 106 -2.204 -21.779 12.672 1.00 0.00 ATOM 855 C LEU 106 -1.683 -20.794 12.152 1.00 0.00 ATOM 856 N ALA 107 -1.161 -19.794 12.859 1.00 0.00 ATOM 857 CA ALA 107 -1.160 -19.810 14.316 1.00 0.00 ATOM 858 CB ALA 107 -0.421 -18.589 14.855 1.00 0.00 ATOM 859 O ALA 107 -2.906 -20.520 15.804 1.00 0.00 ATOM 860 C ALA 107 -2.596 -19.826 14.834 1.00 0.00 ATOM 861 N ALA 108 -3.481 -19.122 14.136 1.00 0.00 ATOM 862 CA ALA 108 -4.886 -19.060 14.527 1.00 0.00 ATOM 863 CB ALA 108 -5.610 -18.007 13.666 1.00 0.00 ATOM 864 O ALA 108 -6.295 -20.862 15.264 1.00 0.00 ATOM 865 C ALA 108 -5.538 -20.434 14.393 1.00 0.00 ATOM 866 N THR 109 -5.184 -21.145 13.326 1.00 0.00 ATOM 867 CA THR 109 -5.737 -22.483 13.090 1.00 0.00 ATOM 868 CB THR 109 -5.368 -22.949 11.678 1.00 0.00 ATOM 869 CG2 THR 109 -5.843 -24.370 11.407 1.00 0.00 ATOM 870 OG1 THR 109 -5.951 -22.054 10.719 1.00 0.00 ATOM 871 O THR 109 -6.059 -24.205 14.710 1.00 0.00 ATOM 872 C THR 109 -5.263 -23.443 14.160 1.00 0.00 TER END