PFRMAT TS TARGET T0227 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 27+13+14 try1-opt2, the result of automatic prediction METHOD starting from an automatic multiple-alignment of T0227, T0213, and T0214. REMARK 6 REMARK 6 T0227 model 4 Sun Aug 15 22:35:26 2004 MODEL 4 PARENT 1t62_A 1j09_A 1r6x_A 1gln 3dfr REMARK 7 REMARK 7 ALLPARENTS 1t62_A 1j09_A 1r6x_A 1gln 3dfr 1m7s_A 1qwl_A REMARK 7 ALLPARENTS 1g8f_A 1fvu_A 1gwe_A 1qw2_A 1jeo_A 1j54_A 1pzg_A REMARK 7 ALLPARENTS 1e4f_T 1g9g_A 1g9j_A 1fbw_A 3bta_A 1fae_A 1fce REMARK 7 ALLPARENTS 1phk 1e57_A 1d6z_A 1ja3_A 1pp8_F 1dux_C 1cbi_A REMARK 7 ALLPARENTS 1vh0_A 1ov3_A 1h2i_A 1fzy_A 1ia8_A 1lj2_C 1lsh_B REMARK 7 ALLPARENTS 1jb3_A 1bkf 1n91_A 1vi7_A 1e0t_A 1phk 1gz8_A REMARK 7 ALLPARENTS 1jyh_A 1r9h_A 1olz_A 1bdy_A 1a0i 1hcl 1mq4_A ATOM 1 N MET 1 5.030 -10.343 -4.543 1.00 0.00 ATOM 2 CA MET 1 4.516 -10.645 -3.176 1.00 0.00 ATOM 3 CB MET 1 5.604 -9.838 -2.169 1.00 0.00 ATOM 4 CG MET 1 5.988 -10.376 -0.792 1.00 0.00 ATOM 5 SD MET 1 7.301 -9.424 0.038 1.00 0.00 ATOM 6 CE MET 1 6.339 -8.151 0.830 1.00 0.00 ATOM 7 O MET 1 2.305 -10.135 -2.380 1.00 0.00 ATOM 8 C MET 1 3.381 -9.693 -2.790 1.00 0.00 ATOM 9 N GLU 2 3.579 -8.375 -2.975 1.00 0.00 ATOM 10 CA GLU 2 2.524 -7.419 -2.625 1.00 0.00 ATOM 11 CB GLU 2 2.657 -6.165 -2.324 1.00 0.00 ATOM 12 CG GLU 2 1.341 -5.388 -2.434 1.00 0.00 ATOM 13 CD GLU 2 1.133 -4.716 -3.794 1.00 0.00 ATOM 14 OE1 GLU 2 -0.034 -4.433 -4.142 1.00 0.00 ATOM 15 OE2 GLU 2 2.126 -4.449 -4.511 1.00 0.00 ATOM 16 O GLU 2 1.391 -7.831 -4.700 1.00 0.00 ATOM 17 C GLU 2 1.285 -7.669 -3.486 1.00 0.00 ATOM 18 N ARG 3 -0.000 -7.637 -2.863 1.00 0.00 ATOM 19 CA ARG 3 -1.239 -7.864 -3.596 1.00 0.00 ATOM 20 CB ARG 3 -1.656 -9.379 -3.282 1.00 0.00 ATOM 21 CG ARG 3 -2.701 -9.935 -4.208 1.00 0.00 ATOM 22 CD ARG 3 -3.003 -11.405 -3.845 1.00 0.00 ATOM 23 NE ARG 3 -1.926 -12.362 -4.128 1.00 0.00 ATOM 24 CZ ARG 3 -1.694 -12.888 -5.331 1.00 0.00 ATOM 25 NH1 ARG 3 -2.451 -12.541 -6.371 1.00 0.00 ATOM 26 NH2 ARG 3 -0.718 -13.770 -5.497 1.00 0.00 ATOM 27 O ARG 3 -2.586 -6.806 -1.912 1.00 0.00 ATOM 28 C ARG 3 -2.384 -6.985 -3.113 1.00 0.00 ATOM 29 N PRO 4 -3.130 -6.440 -4.076 1.00 0.00 ATOM 30 CA PRO 4 -4.268 -5.591 -3.756 1.00 0.00 ATOM 31 CB PRO 4 -4.857 -5.281 -5.137 1.00 0.00 ATOM 32 CG PRO 4 -3.679 -5.298 -6.052 1.00 0.00 ATOM 33 CD PRO 4 -2.833 -6.443 -5.524 1.00 0.00 ATOM 34 O PRO 4 -5.765 -5.637 -1.856 1.00 0.00 ATOM 35 C PRO 4 -5.283 -6.241 -2.823 1.00 0.00 ATOM 36 N LYS 5 -5.616 -7.520 -2.941 1.00 0.00 ATOM 37 CA LYS 5 -6.513 -8.270 -2.145 1.00 0.00 ATOM 38 CB LYS 5 -7.956 -8.208 -2.698 1.00 0.00 ATOM 39 CG LYS 5 -9.050 -8.630 -1.737 1.00 0.00 ATOM 40 CD LYS 5 -10.399 -8.361 -2.365 1.00 0.00 ATOM 41 CE LYS 5 -11.536 -8.612 -1.385 1.00 0.00 ATOM 42 NZ LYS 5 -12.842 -8.223 -1.989 1.00 0.00 ATOM 43 O LYS 5 -6.196 -10.583 -2.858 1.00 0.00 ATOM 44 C LYS 5 -5.941 -9.685 -2.036 1.00 0.00 ATOM 45 N LEU 6 -5.133 -9.869 -1.013 1.00 0.00 ATOM 46 CA LEU 6 -4.647 -11.184 -0.702 1.00 0.00 ATOM 47 CB LEU 6 -3.543 -11.111 0.354 1.00 0.00 ATOM 48 CG LEU 6 -2.865 -12.435 0.719 1.00 0.00 ATOM 49 CD1 LEU 6 -2.096 -12.990 -0.469 1.00 0.00 ATOM 50 CD2 LEU 6 -1.890 -12.240 1.870 1.00 0.00 ATOM 51 O LEU 6 -6.794 -11.354 0.486 1.00 0.00 ATOM 52 C LEU 6 -5.847 -11.948 -0.167 1.00 0.00 ATOM 53 N GLY 7 -5.942 -13.391 -0.289 1.00 0.00 ATOM 54 CA GLY 7 -6.990 -14.240 0.168 1.00 0.00 ATOM 55 O GLY 7 -5.818 -14.417 2.260 1.00 0.00 ATOM 56 C GLY 7 -6.908 -14.413 1.671 1.00 0.00 ATOM 57 N LEU 8 -8.027 -14.554 2.350 1.00 0.00 ATOM 58 CA LEU 8 -7.989 -14.617 3.799 1.00 0.00 ATOM 59 CB LEU 8 -9.371 -14.967 4.357 1.00 0.00 ATOM 60 CG LEU 8 -10.446 -13.885 4.229 1.00 0.00 ATOM 61 CD1 LEU 8 -11.802 -14.421 4.665 1.00 0.00 ATOM 62 CD2 LEU 8 -10.106 -12.684 5.098 1.00 0.00 ATOM 63 O LEU 8 -6.477 -15.383 5.494 1.00 0.00 ATOM 64 C LEU 8 -7.117 -15.663 4.482 1.00 0.00 ATOM 65 N ILE 9 -6.963 -17.690 4.234 1.00 0.00 ATOM 66 CA ILE 9 -6.114 -18.677 4.889 1.00 0.00 ATOM 67 CB ILE 9 -6.097 -20.055 4.201 1.00 0.00 ATOM 68 CG1 ILE 9 -7.392 -20.814 4.497 1.00 0.00 ATOM 69 CG2 ILE 9 -4.927 -20.887 4.705 1.00 0.00 ATOM 70 CD1 ILE 9 -7.574 -22.060 3.655 1.00 0.00 ATOM 71 O ILE 9 -4.194 -18.424 6.297 1.00 0.00 ATOM 72 C ILE 9 -4.634 -18.402 5.151 1.00 0.00 ATOM 73 N VAL 10 -3.735 -18.033 4.029 1.00 0.00 ATOM 74 CA VAL 10 -2.285 -17.776 4.010 1.00 0.00 ATOM 75 CB VAL 10 -2.197 -17.586 2.184 1.00 0.00 ATOM 76 CG1 VAL 10 -3.356 -18.112 1.372 1.00 0.00 ATOM 77 CG2 VAL 10 -2.098 -16.072 2.064 1.00 0.00 ATOM 78 O VAL 10 -0.623 -16.475 5.161 1.00 0.00 ATOM 79 C VAL 10 -1.812 -16.621 4.908 1.00 0.00 ATOM 80 N ARG 11 -2.739 -15.814 5.389 1.00 0.00 ATOM 81 CA ARG 11 -2.378 -14.792 6.355 1.00 0.00 ATOM 82 CB ARG 11 -3.624 -14.053 6.847 1.00 0.00 ATOM 83 CG ARG 11 -4.260 -13.149 5.804 1.00 0.00 ATOM 84 CD ARG 11 -5.517 -12.485 6.344 1.00 0.00 ATOM 85 NE ARG 11 -6.168 -11.649 5.338 1.00 0.00 ATOM 86 CZ ARG 11 -7.313 -11.001 5.533 1.00 0.00 ATOM 87 NH1 ARG 11 -7.832 -10.263 4.560 1.00 0.00 ATOM 88 NH2 ARG 11 -7.937 -11.093 6.700 1.00 0.00 ATOM 89 O ARG 11 -0.708 -14.939 8.048 1.00 0.00 ATOM 90 C ARG 11 -1.729 -15.407 7.562 1.00 0.00 ATOM 91 N GLU 12 -2.358 -16.533 8.128 1.00 0.00 ATOM 92 CA GLU 12 -1.759 -17.214 9.283 1.00 0.00 ATOM 93 CB GLU 12 -2.690 -18.331 9.758 1.00 0.00 ATOM 94 CG GLU 12 -3.975 -17.838 10.402 1.00 0.00 ATOM 95 CD GLU 12 -4.925 -18.966 10.748 1.00 0.00 ATOM 96 OE1 GLU 12 -4.611 -20.130 10.417 1.00 0.00 ATOM 97 OE2 GLU 12 -5.984 -18.688 11.350 1.00 0.00 ATOM 98 O GLU 12 0.521 -17.715 9.795 1.00 0.00 ATOM 99 C GLU 12 -0.404 -17.853 9.014 1.00 0.00 ATOM 100 N PRO 13 -0.314 -18.534 7.877 1.00 0.00 ATOM 101 CA PRO 13 0.939 -19.091 7.438 1.00 0.00 ATOM 102 CB PRO 13 0.656 -19.789 6.143 1.00 0.00 ATOM 103 CG PRO 13 -0.733 -20.277 6.358 1.00 0.00 ATOM 104 CD PRO 13 -1.434 -19.129 7.039 1.00 0.00 ATOM 105 O PRO 13 3.141 -18.208 7.749 1.00 0.00 ATOM 106 C PRO 13 2.038 -18.047 7.294 1.00 0.00 ATOM 107 N TYR 14 1.630 -16.888 6.682 1.00 0.00 ATOM 108 CA TYR 14 2.583 -15.786 6.555 1.00 0.00 ATOM 109 CB TYR 14 1.553 -14.470 6.227 1.00 0.00 ATOM 110 CG TYR 14 2.142 -13.203 5.640 1.00 0.00 ATOM 111 CD1 TYR 14 2.426 -13.103 4.276 1.00 0.00 ATOM 112 CD2 TYR 14 2.413 -12.102 6.450 1.00 0.00 ATOM 113 CE1 TYR 14 2.963 -11.934 3.735 1.00 0.00 ATOM 114 CE2 TYR 14 2.948 -10.931 5.921 1.00 0.00 ATOM 115 CZ TYR 14 3.220 -10.853 4.565 1.00 0.00 ATOM 116 OH TYR 14 3.739 -9.688 4.043 1.00 0.00 ATOM 117 O TYR 14 4.187 -15.025 8.118 1.00 0.00 ATOM 118 C TYR 14 3.020 -15.251 7.914 1.00 0.00 ATOM 119 N ALA 15 2.081 -15.048 8.824 1.00 0.00 ATOM 120 CA ALA 15 2.445 -14.556 10.130 1.00 0.00 ATOM 121 CB ALA 15 1.205 -14.377 10.993 1.00 0.00 ATOM 122 O ALA 15 4.384 -15.098 11.439 1.00 0.00 ATOM 123 C ALA 15 3.394 -15.518 10.841 1.00 0.00 ATOM 124 N SER 16 3.070 -16.796 10.768 1.00 0.00 ATOM 125 CA SER 16 3.893 -17.810 11.410 1.00 0.00 ATOM 126 CB SER 16 3.273 -19.189 11.179 1.00 0.00 ATOM 127 OG SER 16 2.013 -19.295 11.819 1.00 0.00 ATOM 128 O SER 16 6.261 -17.860 11.625 1.00 0.00 ATOM 129 C SER 16 5.310 -17.837 10.871 1.00 0.00 ATOM 130 N LEU 17 5.440 -17.751 9.562 1.00 0.00 ATOM 131 CA LEU 17 6.748 -17.718 8.925 1.00 0.00 ATOM 132 CB LEU 17 6.604 -17.745 7.403 1.00 0.00 ATOM 133 CG LEU 17 6.090 -19.051 6.794 1.00 0.00 ATOM 134 CD1 LEU 17 5.826 -18.884 5.306 1.00 0.00 ATOM 135 CD2 LEU 17 7.110 -20.166 6.972 1.00 0.00 ATOM 136 O LEU 17 8.755 -16.548 9.488 1.00 0.00 ATOM 137 C LEU 17 7.547 -16.478 9.276 1.00 0.00 ATOM 138 N ILE 18 6.882 -15.326 9.260 1.00 0.00 ATOM 139 CA ILE 18 7.559 -14.092 9.620 1.00 0.00 ATOM 140 CB ILE 18 6.629 -12.873 9.470 1.00 0.00 ATOM 141 CG1 ILE 18 6.233 -12.683 8.006 1.00 0.00 ATOM 142 CG2 ILE 18 7.326 -11.609 9.949 1.00 0.00 ATOM 143 CD1 ILE 18 7.403 -12.419 7.085 1.00 0.00 ATOM 144 O ILE 18 9.121 -13.652 11.337 1.00 0.00 ATOM 145 C ILE 18 8.035 -14.123 11.054 1.00 0.00 ATOM 146 N VAL 19 7.216 -14.650 11.957 1.00 0.00 ATOM 147 CA VAL 19 7.652 -14.812 13.322 1.00 0.00 ATOM 148 CB VAL 19 6.543 -15.420 14.202 1.00 0.00 ATOM 149 CG1 VAL 19 7.085 -15.764 15.581 1.00 0.00 ATOM 150 CG2 VAL 19 5.395 -14.436 14.367 1.00 0.00 ATOM 151 O VAL 19 9.699 -15.483 14.283 1.00 0.00 ATOM 152 C VAL 19 8.865 -15.729 13.444 1.00 0.00 ATOM 153 N ASP 20 8.950 -16.753 12.611 1.00 0.00 ATOM 154 CA ASP 20 10.122 -17.603 12.658 1.00 0.00 ATOM 155 CB ASP 20 9.943 -18.813 11.740 1.00 0.00 ATOM 156 CG ASP 20 8.960 -19.826 12.294 1.00 0.00 ATOM 157 OD1 ASP 20 8.606 -19.719 13.486 1.00 0.00 ATOM 158 OD2 ASP 20 8.544 -20.727 11.536 1.00 0.00 ATOM 159 O ASP 20 12.417 -17.001 12.808 1.00 0.00 ATOM 160 C ASP 20 11.353 -16.845 12.210 1.00 0.00 ATOM 161 N GLY 21 11.231 -16.019 11.182 1.00 0.00 ATOM 162 CA GLY 21 12.356 -15.207 10.795 1.00 0.00 ATOM 163 O GLY 21 13.961 -14.056 12.113 1.00 0.00 ATOM 164 C GLY 21 12.780 -14.237 11.863 1.00 0.00 ATOM 165 N ARG 22 11.825 -13.563 12.477 1.00 0.00 ATOM 166 CA ARG 22 12.132 -12.686 13.608 1.00 0.00 ATOM 167 CB ARG 22 11.593 -13.550 14.926 1.00 0.00 ATOM 168 CG ARG 22 12.808 -14.312 15.464 1.00 0.00 ATOM 169 CD ARG 22 12.411 -15.211 16.634 1.00 0.00 ATOM 170 NE ARG 22 11.437 -16.214 16.221 1.00 0.00 ATOM 171 CZ ARG 22 10.817 -17.045 17.047 1.00 0.00 ATOM 172 NH1 ARG 22 11.071 -17.001 18.353 1.00 0.00 ATOM 173 NH2 ARG 22 9.939 -17.922 16.567 1.00 0.00 ATOM 174 O ARG 22 14.407 -11.980 13.979 1.00 0.00 ATOM 175 C ARG 22 13.408 -11.919 13.257 1.00 0.00 ATOM 176 N LYS 23 13.137 -11.466 11.961 1.00 0.00 ATOM 177 CA LYS 23 14.259 -10.765 11.348 1.00 0.00 ATOM 178 CB LYS 23 15.445 -11.715 11.157 1.00 0.00 ATOM 179 CG LYS 23 16.678 -11.055 10.564 1.00 0.00 ATOM 180 CD LYS 23 17.834 -12.039 10.462 1.00 0.00 ATOM 181 CE LYS 23 19.066 -11.382 9.864 1.00 0.00 ATOM 182 NZ LYS 23 20.207 -12.332 9.758 1.00 0.00 ATOM 183 O LYS 23 14.620 -9.362 9.448 1.00 0.00 ATOM 184 C LYS 23 13.937 -10.258 9.947 1.00 0.00 ATOM 185 N VAL 24 12.914 -10.822 9.307 1.00 0.00 ATOM 186 CA VAL 24 12.578 -10.445 7.931 1.00 0.00 ATOM 187 CB VAL 24 12.646 -11.685 6.989 1.00 0.00 ATOM 188 CG1 VAL 24 14.007 -12.360 7.099 1.00 0.00 ATOM 189 CG2 VAL 24 11.529 -12.662 7.330 1.00 0.00 ATOM 190 O VAL 24 10.332 -10.015 8.661 1.00 0.00 ATOM 191 C VAL 24 11.280 -9.644 7.970 1.00 0.00 ATOM 192 N TRP 25 11.272 -8.543 7.254 1.00 0.00 ATOM 193 CA TRP 25 10.103 -7.669 7.186 1.00 0.00 ATOM 194 CB TRP 25 10.517 -6.242 6.827 1.00 0.00 ATOM 195 CG TRP 25 11.186 -5.483 7.931 1.00 0.00 ATOM 196 CD1 TRP 25 10.581 -4.685 8.863 1.00 0.00 ATOM 197 CD2 TRP 25 12.593 -5.401 8.187 1.00 0.00 ATOM 198 CE2 TRP 25 12.770 -4.528 9.284 1.00 0.00 ATOM 199 CE3 TRP 25 13.724 -5.977 7.591 1.00 0.00 ATOM 200 NE1 TRP 25 11.527 -4.103 9.676 1.00 0.00 ATOM 201 CZ2 TRP 25 14.034 -4.216 9.800 1.00 0.00 ATOM 202 CZ3 TRP 25 14.984 -5.666 8.104 1.00 0.00 ATOM 203 CH2 TRP 25 15.125 -4.792 9.199 1.00 0.00 ATOM 204 O TRP 25 9.668 -8.450 4.962 1.00 0.00 ATOM 205 C TRP 25 9.199 -8.108 6.051 1.00 0.00 ATOM 206 N GLU 26 7.848 -8.208 6.365 1.00 0.00 ATOM 207 CA GLU 26 6.884 -8.509 5.323 1.00 0.00 ATOM 208 CB GLU 26 6.251 -9.607 5.100 1.00 0.00 ATOM 209 CG GLU 26 6.985 -10.252 3.922 1.00 0.00 ATOM 210 CD GLU 26 6.128 -11.316 3.237 1.00 0.00 ATOM 211 OE1 GLU 26 6.123 -12.426 3.781 1.00 0.00 ATOM 212 OE2 GLU 26 5.471 -10.953 2.240 1.00 0.00 ATOM 213 O GLU 26 5.523 -6.731 6.139 1.00 0.00 ATOM 214 C GLU 26 5.995 -7.296 5.156 1.00 0.00 ATOM 215 N ILE 27 5.804 -6.871 3.912 1.00 0.00 ATOM 216 CA ILE 27 4.948 -5.726 3.624 1.00 0.00 ATOM 217 CB ILE 27 5.749 -4.558 3.020 1.00 0.00 ATOM 218 CG1 ILE 27 6.833 -4.095 3.995 1.00 0.00 ATOM 219 CG2 ILE 27 4.834 -3.381 2.721 1.00 0.00 ATOM 220 CD1 ILE 27 7.794 -3.086 3.405 1.00 0.00 ATOM 221 O ILE 27 4.267 -6.642 1.514 1.00 0.00 ATOM 222 C ILE 27 3.921 -6.250 2.630 1.00 0.00 ATOM 223 N ARG 28 2.660 -6.254 3.055 1.00 0.00 ATOM 224 CA ARG 28 1.566 -6.813 2.273 1.00 0.00 ATOM 225 CB ARG 28 0.384 -7.164 3.180 1.00 0.00 ATOM 226 CG ARG 28 -0.793 -7.792 2.450 1.00 0.00 ATOM 227 CD ARG 28 -1.895 -8.187 3.419 1.00 0.00 ATOM 228 NE ARG 28 -3.048 -8.764 2.731 1.00 0.00 ATOM 229 CZ ARG 28 -4.157 -9.168 3.341 1.00 0.00 ATOM 230 NH1 ARG 28 -5.155 -9.680 2.633 1.00 0.00 ATOM 231 NH2 ARG 28 -4.267 -9.057 4.657 1.00 0.00 ATOM 232 O ARG 28 0.900 -6.467 0.001 1.00 0.00 ATOM 233 C ARG 28 0.899 -6.020 1.154 1.00 0.00 ATOM 234 N ARG 29 0.213 -4.795 1.318 1.00 0.00 ATOM 235 CA ARG 29 -0.449 -4.033 0.262 1.00 0.00 ATOM 236 CB ARG 29 -1.719 -3.370 0.797 1.00 0.00 ATOM 237 CG ARG 29 -2.805 -4.349 1.210 1.00 0.00 ATOM 238 CD ARG 29 -4.080 -3.624 1.607 1.00 0.00 ATOM 239 NE ARG 29 -5.109 -4.547 2.084 1.00 0.00 ATOM 240 CZ ARG 29 -5.957 -5.193 1.292 1.00 0.00 ATOM 241 NH1 ARG 29 -6.859 -6.013 1.815 1.00 0.00 ATOM 242 NH2 ARG 29 -5.904 -5.019 -0.022 1.00 0.00 ATOM 243 O ARG 29 0.490 -1.822 0.237 1.00 0.00 ATOM 244 C ARG 29 0.494 -2.958 -0.247 1.00 0.00 ATOM 245 N ARG 30 1.308 -3.335 -1.228 1.00 0.00 ATOM 246 CA ARG 30 2.288 -2.428 -1.797 1.00 0.00 ATOM 247 CB ARG 30 3.641 -2.771 -1.798 1.00 0.00 ATOM 248 CG ARG 30 4.254 -2.508 -0.401 1.00 0.00 ATOM 249 CD ARG 30 5.750 -2.965 -0.360 1.00 0.00 ATOM 250 NE ARG 30 6.571 -2.087 -1.147 1.00 0.00 ATOM 251 CZ ARG 30 7.778 -2.374 -1.619 1.00 0.00 ATOM 252 NH1 ARG 30 8.290 -3.579 -1.516 1.00 0.00 ATOM 253 NH2 ARG 30 8.482 -1.448 -2.227 1.00 0.00 ATOM 254 O ARG 30 1.356 -1.471 -3.796 1.00 0.00 ATOM 255 C ARG 30 1.692 -1.296 -2.629 1.00 0.00 ATOM 256 N LYS 31 1.575 -0.131 -2.008 1.00 0.00 ATOM 257 CA LYS 31 1.067 1.054 -2.672 1.00 0.00 ATOM 258 CB LYS 31 -0.163 1.593 -1.939 1.00 0.00 ATOM 259 CG LYS 31 -1.363 0.661 -1.971 1.00 0.00 ATOM 260 CD LYS 31 -2.521 1.226 -1.165 1.00 0.00 ATOM 261 CE LYS 31 -3.722 0.294 -1.197 1.00 0.00 ATOM 262 NZ LYS 31 -4.859 0.825 -0.397 1.00 0.00 ATOM 263 O LYS 31 3.242 1.828 -2.024 1.00 0.00 ATOM 264 C LYS 31 2.209 2.071 -2.641 1.00 0.00 ATOM 265 N THR 32 2.026 3.206 -3.301 1.00 0.00 ATOM 266 CA THR 32 3.064 4.231 -3.354 1.00 0.00 ATOM 267 CB THR 32 2.622 5.440 -4.197 1.00 0.00 ATOM 268 CG2 THR 32 2.303 5.010 -5.620 1.00 0.00 ATOM 269 OG1 THR 32 1.450 6.029 -3.616 1.00 0.00 ATOM 270 O THR 32 4.709 5.148 -1.855 1.00 0.00 ATOM 271 C THR 32 3.557 4.734 -1.993 1.00 0.00 ATOM 272 N ARG 33 2.632 4.723 -0.956 1.00 0.00 ATOM 273 CA ARG 33 3.039 5.188 0.367 1.00 0.00 ATOM 274 CB ARG 33 1.837 5.321 1.312 1.00 0.00 ATOM 275 CG ARG 33 1.483 4.014 2.039 1.00 0.00 ATOM 276 CD ARG 33 0.079 3.564 1.662 1.00 0.00 ATOM 277 NE ARG 33 -0.508 2.495 2.455 1.00 0.00 ATOM 278 CZ ARG 33 -0.758 2.622 3.750 1.00 0.00 ATOM 279 NH1 ARG 33 -0.459 3.739 4.425 1.00 0.00 ATOM 280 NH2 ARG 33 -1.299 1.601 4.411 1.00 0.00 ATOM 281 O ARG 33 4.825 4.884 1.941 1.00 0.00 ATOM 282 C ARG 33 4.173 4.411 1.008 1.00 0.00 ATOM 283 N HIS 34 4.402 3.205 0.500 1.00 0.00 ATOM 284 CA HIS 34 5.443 2.326 1.018 1.00 0.00 ATOM 285 CB HIS 34 5.107 0.865 0.718 1.00 0.00 ATOM 286 CG HIS 34 3.891 0.365 1.433 1.00 0.00 ATOM 287 CD2 HIS 34 2.542 -0.021 1.043 1.00 0.00 ATOM 288 ND1 HIS 34 3.859 0.163 2.796 1.00 0.00 ATOM 289 CE1 HIS 34 2.639 -0.285 3.143 1.00 0.00 ATOM 290 NE2 HIS 34 1.844 -0.398 2.097 1.00 0.00 ATOM 291 O HIS 34 7.822 2.020 0.851 1.00 0.00 ATOM 292 C HIS 34 6.827 2.599 0.414 1.00 0.00 ATOM 293 N ARG 35 6.898 3.465 -0.587 1.00 0.00 ATOM 294 CA ARG 35 8.154 3.802 -1.231 1.00 0.00 ATOM 295 CB ARG 35 7.992 3.720 -2.752 1.00 0.00 ATOM 296 CG ARG 35 9.244 4.092 -3.552 1.00 0.00 ATOM 297 CD ARG 35 10.338 3.033 -3.516 1.00 0.00 ATOM 298 NE ARG 35 9.926 1.783 -4.155 1.00 0.00 ATOM 299 CZ ARG 35 10.643 0.670 -4.140 1.00 0.00 ATOM 300 NH1 ARG 35 11.829 0.646 -3.533 1.00 0.00 ATOM 301 NH2 ARG 35 10.178 -0.418 -4.748 1.00 0.00 ATOM 302 O ARG 35 7.710 6.101 -0.950 1.00 0.00 ATOM 303 C ARG 35 8.491 5.191 -0.751 1.00 0.00 ATOM 304 N GLY 36 9.622 5.328 -0.064 1.00 0.00 ATOM 305 CA GLY 36 10.166 6.626 0.294 1.00 0.00 ATOM 306 O GLY 36 11.523 6.282 -1.672 1.00 0.00 ATOM 307 C GLY 36 11.215 7.037 -0.738 1.00 0.00 ATOM 308 N PRO 37 11.768 8.228 -0.584 1.00 0.00 ATOM 309 CA PRO 37 12.775 8.720 -1.520 1.00 0.00 ATOM 310 CB PRO 37 12.978 10.179 -1.113 1.00 0.00 ATOM 311 CG PRO 37 12.486 10.248 0.294 1.00 0.00 ATOM 312 CD PRO 37 11.383 9.232 0.399 1.00 0.00 ATOM 313 O PRO 37 14.671 7.588 -2.432 1.00 0.00 ATOM 314 C PRO 37 14.082 7.933 -1.415 1.00 0.00 ATOM 315 N LEU 38 14.475 7.642 -0.110 1.00 0.00 ATOM 316 CA LEU 38 15.778 7.051 0.189 1.00 0.00 ATOM 317 CB LEU 38 16.433 7.770 1.371 1.00 0.00 ATOM 318 CG LEU 38 16.723 9.260 1.183 1.00 0.00 ATOM 319 CD1 LEU 38 17.262 9.868 2.468 1.00 0.00 ATOM 320 CD2 LEU 38 17.756 9.471 0.087 1.00 0.00 ATOM 321 O LEU 38 16.754 5.032 0.957 1.00 0.00 ATOM 322 C LEU 38 15.745 5.579 0.557 1.00 0.00 ATOM 323 N GLY 39 14.606 4.919 0.336 1.00 0.00 ATOM 324 CA GLY 39 14.415 3.536 0.728 1.00 0.00 ATOM 325 O GLY 39 12.126 4.200 0.607 1.00 0.00 ATOM 326 C GLY 39 12.929 3.295 0.847 1.00 0.00 ATOM 327 N ILE 40 12.481 2.017 1.195 1.00 0.00 ATOM 328 CA ILE 40 11.085 1.691 1.446 1.00 0.00 ATOM 329 CB ILE 40 10.608 0.332 0.900 1.00 0.00 ATOM 330 CG1 ILE 40 11.371 -0.811 1.570 1.00 0.00 ATOM 331 CG2 ILE 40 10.843 0.251 -0.603 1.00 0.00 ATOM 332 CD1 ILE 40 10.811 -2.183 1.263 1.00 0.00 ATOM 333 O ILE 40 11.804 1.549 3.715 1.00 0.00 ATOM 334 C ILE 40 10.857 1.691 2.944 1.00 0.00 ATOM 335 N VAL 41 9.596 1.838 3.345 1.00 0.00 ATOM 336 CA VAL 41 9.201 1.595 4.725 1.00 0.00 ATOM 337 CB VAL 41 8.049 2.475 5.108 1.00 0.00 ATOM 338 CG1 VAL 41 7.549 1.971 6.460 1.00 0.00 ATOM 339 CG2 VAL 41 8.520 3.922 5.225 1.00 0.00 ATOM 340 O VAL 41 7.964 -0.237 3.862 1.00 0.00 ATOM 341 C VAL 41 8.647 0.189 4.793 1.00 0.00 ATOM 342 N SER 42 8.958 -0.577 5.989 1.00 0.00 ATOM 343 CA SER 42 8.497 -1.957 6.159 1.00 0.00 ATOM 344 CB SER 42 9.699 -2.888 6.331 1.00 0.00 ATOM 345 OG SER 42 10.522 -2.878 5.176 1.00 0.00 ATOM 346 O SER 42 7.782 -1.529 8.387 1.00 0.00 ATOM 347 C SER 42 7.585 -2.136 7.344 1.00 0.00 ATOM 348 N GLY 43 6.575 -2.969 7.183 1.00 0.00 ATOM 349 CA GLY 43 5.839 -3.489 8.329 1.00 0.00 ATOM 350 O GLY 43 7.503 -5.185 8.616 1.00 0.00 ATOM 351 C GLY 43 6.749 -4.384 9.187 1.00 0.00 ATOM 352 N GLY 44 6.805 -4.307 10.577 1.00 0.00 ATOM 353 CA GLY 44 7.695 -5.135 11.385 1.00 0.00 ATOM 354 O GLY 44 6.049 -4.940 13.120 1.00 0.00 ATOM 355 C GLY 44 7.001 -5.567 12.662 1.00 0.00 ATOM 356 N ARG 45 7.476 -6.657 13.222 1.00 0.00 ATOM 357 CA ARG 45 6.982 -7.140 14.490 1.00 0.00 ATOM 358 CB ARG 45 5.925 -8.255 14.229 1.00 0.00 ATOM 359 CG ARG 45 6.491 -9.522 13.575 1.00 0.00 ATOM 360 CD ARG 45 5.473 -10.661 13.602 1.00 0.00 ATOM 361 NE ARG 45 5.227 -11.134 14.965 1.00 0.00 ATOM 362 CZ ARG 45 4.080 -11.645 15.411 1.00 0.00 ATOM 363 NH1 ARG 45 3.030 -11.776 14.607 1.00 0.00 ATOM 364 NH2 ARG 45 3.974 -11.981 16.689 1.00 0.00 ATOM 365 O ARG 45 9.132 -7.956 15.022 1.00 0.00 ATOM 366 C ARG 45 8.158 -7.343 15.412 1.00 0.00 ATOM 367 N LEU 46 8.065 -6.805 16.616 1.00 0.00 ATOM 368 CA LEU 46 9.064 -7.016 17.646 1.00 0.00 ATOM 369 CB LEU 46 8.938 -5.930 18.734 1.00 0.00 ATOM 370 CG LEU 46 9.255 -4.482 18.347 1.00 0.00 ATOM 371 CD1 LEU 46 8.751 -3.530 19.427 1.00 0.00 ATOM 372 CD2 LEU 46 10.749 -4.341 18.150 1.00 0.00 ATOM 373 O LEU 46 7.839 -8.871 18.548 1.00 0.00 ATOM 374 C LEU 46 8.921 -8.443 18.158 1.00 0.00 ATOM 375 N ILE 47 10.016 -9.177 18.172 1.00 0.00 ATOM 376 CA ILE 47 9.966 -10.606 18.459 1.00 0.00 ATOM 377 CB ILE 47 11.444 -11.188 18.245 1.00 0.00 ATOM 378 CG1 ILE 47 11.820 -11.147 16.748 1.00 0.00 ATOM 379 CG2 ILE 47 11.535 -12.672 18.795 1.00 0.00 ATOM 380 CD1 ILE 47 13.335 -11.396 16.524 1.00 0.00 ATOM 381 O ILE 47 8.591 -11.853 20.004 1.00 0.00 ATOM 382 C ILE 47 9.435 -10.963 19.828 1.00 0.00 ATOM 383 N GLY 48 9.901 -10.307 20.897 1.00 0.00 ATOM 384 CA GLY 48 9.465 -10.632 22.258 1.00 0.00 ATOM 385 O GLY 48 7.320 -11.056 23.208 1.00 0.00 ATOM 386 C GLY 48 8.032 -10.261 22.592 1.00 0.00 ATOM 387 N GLN 49 7.526 -8.993 22.223 1.00 0.00 ATOM 388 CA GLN 49 6.197 -8.503 22.598 1.00 0.00 ATOM 389 CB GLN 49 6.236 -6.980 22.736 1.00 0.00 ATOM 390 CG GLN 49 7.205 -6.477 23.793 1.00 0.00 ATOM 391 CD GLN 49 6.882 -7.007 25.177 1.00 0.00 ATOM 392 OE1 GLN 49 5.733 -6.968 25.616 1.00 0.00 ATOM 393 NE2 GLN 49 7.900 -7.506 25.869 1.00 0.00 ATOM 394 O GLN 49 3.954 -8.830 21.866 1.00 0.00 ATOM 395 C GLN 49 5.136 -8.852 21.549 1.00 0.00 ATOM 396 N ALA 50 5.585 -9.158 20.333 1.00 0.00 ATOM 397 CA ALA 50 4.759 -9.271 19.106 1.00 0.00 ATOM 398 CB ALA 50 3.644 -10.283 19.309 1.00 0.00 ATOM 399 O ALA 50 2.793 -7.980 18.654 1.00 0.00 ATOM 400 C ALA 50 4.004 -7.980 18.901 1.00 0.00 ATOM 401 N ASP 51 4.797 -6.842 19.000 1.00 0.00 ATOM 402 CA ASP 51 4.207 -5.535 18.852 1.00 0.00 ATOM 403 CB ASP 51 4.957 -4.493 19.683 1.00 0.00 ATOM 404 CG ASP 51 4.376 -3.100 19.535 1.00 0.00 ATOM 405 OD1 ASP 51 3.418 -2.936 18.750 1.00 0.00 ATOM 406 OD2 ASP 51 4.879 -2.172 20.203 1.00 0.00 ATOM 407 O ASP 51 5.453 -5.287 16.836 1.00 0.00 ATOM 408 C ASP 51 4.377 -5.198 17.375 1.00 0.00 ATOM 409 N LEU 52 3.294 -4.830 16.709 1.00 0.00 ATOM 410 CA LEU 52 3.382 -4.498 15.293 1.00 0.00 ATOM 411 CB LEU 52 2.072 -4.838 14.580 1.00 0.00 ATOM 412 CG LEU 52 1.654 -6.309 14.595 1.00 0.00 ATOM 413 CD1 LEU 52 0.301 -6.491 13.922 1.00 0.00 ATOM 414 CD2 LEU 52 2.671 -7.165 13.856 1.00 0.00 ATOM 415 O LEU 52 3.042 -2.160 15.760 1.00 0.00 ATOM 416 C LEU 52 3.683 -3.008 15.133 1.00 0.00 ATOM 417 N VAL 53 4.646 -2.709 14.385 1.00 0.00 ATOM 418 CA VAL 53 5.063 -1.331 14.216 1.00 0.00 ATOM 419 CB VAL 53 6.196 -0.956 15.189 1.00 0.00 ATOM 420 CG1 VAL 53 5.712 -1.045 16.628 1.00 0.00 ATOM 421 CG2 VAL 53 7.378 -1.898 15.020 1.00 0.00 ATOM 422 O VAL 53 5.421 -2.131 12.017 1.00 0.00 ATOM 423 C VAL 53 5.546 -1.198 12.792 1.00 0.00 ATOM 424 N GLY 54 6.049 -0.025 12.448 1.00 0.00 ATOM 425 CA GLY 54 6.577 0.245 11.124 1.00 0.00 ATOM 426 O GLY 54 8.379 1.356 12.210 1.00 0.00 ATOM 427 C GLY 54 8.024 0.621 11.282 1.00 0.00 ATOM 428 N VAL 55 8.852 0.122 10.368 1.00 0.00 ATOM 429 CA VAL 55 10.274 0.403 10.352 1.00 0.00 ATOM 430 CB VAL 55 11.104 -0.892 10.305 1.00 0.00 ATOM 431 CG1 VAL 55 12.591 -0.569 10.259 1.00 0.00 ATOM 432 CG2 VAL 55 10.835 -1.743 11.536 1.00 0.00 ATOM 433 O VAL 55 10.456 0.780 7.989 1.00 0.00 ATOM 434 C VAL 55 10.595 1.234 9.127 1.00 0.00 ATOM 435 N GLU 56 10.971 2.490 9.383 1.00 0.00 ATOM 436 CA GLU 56 11.316 3.372 8.293 1.00 0.00 ATOM 437 CB GLU 56 11.472 4.808 8.795 1.00 0.00 ATOM 438 CG GLU 56 10.171 5.452 9.250 1.00 0.00 ATOM 439 CD GLU 56 10.361 6.877 9.725 1.00 0.00 ATOM 440 OE1 GLU 56 11.524 7.333 9.790 1.00 0.00 ATOM 441 OE2 GLU 56 9.350 7.541 10.034 1.00 0.00 ATOM 442 O GLU 56 13.398 2.161 8.249 1.00 0.00 ATOM 443 C GLU 56 12.606 2.837 7.640 1.00 0.00 ATOM 444 N GLY 57 12.822 3.061 6.277 1.00 0.00 ATOM 445 CA GLY 57 13.940 2.469 5.542 1.00 0.00 ATOM 446 O GLY 57 16.218 2.218 6.178 1.00 0.00 ATOM 447 C GLY 57 15.271 2.990 6.005 1.00 0.00 ATOM 448 N PRO 58 15.363 4.293 6.247 1.00 0.00 ATOM 449 CA PRO 58 16.639 4.798 6.660 1.00 0.00 ATOM 450 CB PRO 58 16.406 6.302 6.822 1.00 0.00 ATOM 451 CG PRO 58 15.274 6.605 5.900 1.00 0.00 ATOM 452 CD PRO 58 14.353 5.419 5.965 1.00 0.00 ATOM 453 O PRO 58 18.344 4.071 8.179 1.00 0.00 ATOM 454 C PRO 58 17.133 4.162 7.949 1.00 0.00 ATOM 455 N PHE 59 16.191 3.686 8.861 1.00 0.00 ATOM 456 CA PHE 59 16.559 3.061 10.125 1.00 0.00 ATOM 457 CB PHE 59 15.365 2.902 11.069 1.00 0.00 ATOM 458 CG PHE 59 15.713 2.262 12.382 1.00 0.00 ATOM 459 CD1 PHE 59 16.341 2.989 13.378 1.00 0.00 ATOM 460 CD2 PHE 59 15.413 0.932 12.622 1.00 0.00 ATOM 461 CE1 PHE 59 16.662 2.399 14.587 1.00 0.00 ATOM 462 CE2 PHE 59 15.732 0.343 13.829 1.00 0.00 ATOM 463 CZ PHE 59 16.355 1.071 14.810 1.00 0.00 ATOM 464 O PHE 59 18.157 1.304 10.308 1.00 0.00 ATOM 465 C PHE 59 17.124 1.702 9.787 1.00 0.00 ATOM 466 N SER 60 16.450 1.005 8.895 1.00 0.00 ATOM 467 CA SER 60 16.900 -0.332 8.510 1.00 0.00 ATOM 468 CB SER 60 15.909 -0.969 7.533 1.00 0.00 ATOM 469 OG SER 60 14.661 -1.211 8.159 1.00 0.00 ATOM 470 O SER 60 19.130 -1.067 8.073 1.00 0.00 ATOM 471 C SER 60 18.259 -0.250 7.839 1.00 0.00 ATOM 472 N VAL 61 18.450 0.749 7.009 1.00 0.00 ATOM 473 CA VAL 61 19.755 0.911 6.366 1.00 0.00 ATOM 474 CB VAL 61 19.786 2.153 5.455 1.00 0.00 ATOM 475 CG1 VAL 61 21.199 2.414 4.957 1.00 0.00 ATOM 476 CG2 VAL 61 18.880 1.950 4.249 1.00 0.00 ATOM 477 O VAL 61 21.905 0.396 7.323 1.00 0.00 ATOM 478 C VAL 61 20.863 1.074 7.414 1.00 0.00 ATOM 479 N GLU 62 20.592 1.915 8.514 1.00 0.00 ATOM 480 CA GLU 62 21.591 2.081 9.577 1.00 0.00 ATOM 481 CB GLU 62 21.189 3.218 10.519 1.00 0.00 ATOM 482 CG GLU 62 21.285 4.602 9.896 1.00 0.00 ATOM 483 CD GLU 62 20.762 5.690 10.812 1.00 0.00 ATOM 484 OE1 GLU 62 20.259 5.355 11.906 1.00 0.00 ATOM 485 OE2 GLU 62 20.857 6.879 10.439 1.00 0.00 ATOM 486 O GLU 62 22.934 0.439 10.698 1.00 0.00 ATOM 487 C GLU 62 21.801 0.803 10.378 1.00 0.00 ATOM 488 N GLU 63 20.709 0.121 10.703 1.00 0.00 ATOM 489 CA GLU 63 20.804 -1.119 11.462 1.00 0.00 ATOM 490 CB GLU 63 19.417 -1.527 12.003 1.00 0.00 ATOM 491 CG GLU 63 18.770 -0.479 12.914 1.00 0.00 ATOM 492 CD GLU 63 19.745 0.133 13.925 1.00 0.00 ATOM 493 OE1 GLU 63 20.241 -0.586 14.821 1.00 0.00 ATOM 494 OE2 GLU 63 20.022 1.350 13.808 1.00 0.00 ATOM 495 O GLU 63 22.231 -3.008 11.133 1.00 0.00 ATOM 496 C GLU 63 21.444 -2.193 10.617 1.00 0.00 ATOM 497 N LEU 64 21.167 -2.205 9.309 1.00 0.00 ATOM 498 CA LEU 64 21.757 -3.217 8.436 1.00 0.00 ATOM 499 CB LEU 64 20.966 -3.286 7.124 1.00 0.00 ATOM 500 CG LEU 64 19.547 -3.850 7.235 1.00 0.00 ATOM 501 CD1 LEU 64 18.789 -3.627 5.935 1.00 0.00 ATOM 502 CD2 LEU 64 19.622 -5.331 7.572 1.00 0.00 ATOM 503 O LEU 64 23.991 -4.023 8.062 1.00 0.00 ATOM 504 C LEU 64 23.249 -3.043 8.150 1.00 0.00 ATOM 505 N LEU 65 23.676 -1.792 7.989 1.00 0.00 ATOM 506 CA LEU 65 25.084 -1.515 7.712 1.00 0.00 ATOM 507 CB LEU 65 25.315 -0.007 7.604 1.00 0.00 ATOM 508 CG LEU 65 24.785 0.671 6.338 1.00 0.00 ATOM 509 CD1 LEU 65 24.931 2.182 6.437 1.00 0.00 ATOM 510 CD2 LEU 65 25.556 0.199 5.116 1.00 0.00 ATOM 511 O LEU 65 27.022 -2.589 8.573 1.00 0.00 ATOM 512 C LEU 65 25.987 -2.017 8.842 1.00 0.00 ATOM 513 N ALA 66 25.591 -1.816 10.095 1.00 0.00 ATOM 514 CA ALA 66 26.426 -2.252 11.222 1.00 0.00 ATOM 515 CB ALA 66 25.694 -2.040 12.538 1.00 0.00 ATOM 516 O ALA 66 27.860 -4.177 11.339 1.00 0.00 ATOM 517 C ALA 66 26.715 -3.752 11.178 1.00 0.00 ATOM 518 N HIS 67 25.702 -4.545 10.942 1.00 0.00 ATOM 519 CA HIS 67 25.886 -5.990 10.863 1.00 0.00 ATOM 520 CB HIS 67 24.514 -6.666 10.813 1.00 0.00 ATOM 521 CG HIS 67 23.745 -6.567 12.094 1.00 0.00 ATOM 522 CD2 HIS 67 22.504 -5.933 12.513 1.00 0.00 ATOM 523 ND1 HIS 67 24.166 -7.163 13.263 1.00 0.00 ATOM 524 CE1 HIS 67 23.274 -6.901 14.233 1.00 0.00 ATOM 525 NE2 HIS 67 22.274 -6.163 13.791 1.00 0.00 ATOM 526 O HIS 67 27.487 -7.355 9.708 1.00 0.00 ATOM 527 C HIS 67 26.691 -6.414 9.639 1.00 0.00 ATOM 528 N GLN 68 26.494 -5.740 8.492 1.00 0.00 ATOM 529 CA GLN 68 27.211 -6.051 7.275 1.00 0.00 ATOM 530 CB GLN 68 26.712 -5.147 6.162 1.00 0.00 ATOM 531 CG GLN 68 25.188 -5.286 5.999 1.00 0.00 ATOM 532 CD GLN 68 24.529 -4.640 4.829 1.00 0.00 ATOM 533 OE1 GLN 68 23.374 -4.179 4.821 1.00 0.00 ATOM 534 NE2 GLN 68 25.221 -4.559 3.694 1.00 0.00 ATOM 535 O GLN 68 29.493 -6.781 7.062 1.00 0.00 ATOM 536 C GLN 68 28.727 -5.888 7.414 1.00 0.00 ATOM 537 N GLU 69 29.144 -4.731 7.905 1.00 0.00 ATOM 538 CA GLU 69 30.574 -4.414 8.036 1.00 0.00 ATOM 539 CB GLU 69 30.764 -2.950 8.436 1.00 0.00 ATOM 540 CG GLU 69 32.217 -2.516 8.533 1.00 0.00 ATOM 541 CD GLU 69 32.366 -1.045 8.875 1.00 0.00 ATOM 542 OE1 GLU 69 31.329 -0.365 9.027 1.00 0.00 ATOM 543 OE2 GLU 69 33.517 -0.576 8.990 1.00 0.00 ATOM 544 O GLU 69 32.328 -5.801 8.887 1.00 0.00 ATOM 545 C GLU 69 31.240 -5.289 9.106 1.00 0.00 ATOM 546 N LYS 70 30.563 -5.514 10.226 1.00 0.00 ATOM 547 CA LYS 70 31.055 -6.454 11.232 1.00 0.00 ATOM 548 CB LYS 70 30.034 -6.615 12.361 1.00 0.00 ATOM 549 CG LYS 70 30.482 -7.546 13.475 1.00 0.00 ATOM 550 CD LYS 70 29.455 -7.604 14.594 1.00 0.00 ATOM 551 CE LYS 70 29.880 -8.573 15.685 1.00 0.00 ATOM 552 NZ LYS 70 28.870 -8.656 16.776 1.00 0.00 ATOM 553 O LYS 70 32.405 -8.345 10.597 1.00 0.00 ATOM 554 C LYS 70 31.304 -7.792 10.533 1.00 0.00 ATOM 555 N HIS 71 30.300 -8.324 9.853 1.00 0.00 ATOM 556 CA HIS 71 30.438 -9.597 9.151 1.00 0.00 ATOM 557 CB HIS 71 29.084 -10.003 8.562 1.00 0.00 ATOM 558 CG HIS 71 28.075 -10.405 9.590 1.00 0.00 ATOM 559 CD2 HIS 71 28.092 -10.637 11.028 1.00 0.00 ATOM 560 ND1 HIS 71 26.756 -10.658 9.281 1.00 0.00 ATOM 561 CE1 HIS 71 26.099 -10.996 10.405 1.00 0.00 ATOM 562 NE2 HIS 71 26.894 -10.984 11.456 1.00 0.00 ATOM 563 O HIS 71 31.987 -10.568 7.581 1.00 0.00 ATOM 564 C HIS 71 31.452 -9.541 8.010 1.00 0.00 ATOM 565 N LEU 72 31.396 -7.938 7.362 1.00 0.00 ATOM 566 CA LEU 72 32.370 -7.621 6.332 1.00 0.00 ATOM 567 CB LEU 72 33.727 -8.239 6.669 1.00 0.00 ATOM 568 CG LEU 72 34.402 -7.736 7.947 1.00 0.00 ATOM 569 CD1 LEU 72 35.721 -8.458 8.180 1.00 0.00 ATOM 570 CD2 LEU 72 34.688 -6.244 7.853 1.00 0.00 ATOM 571 O LEU 72 32.876 -8.616 4.230 1.00 0.00 ATOM 572 C LEU 72 32.004 -8.121 4.957 1.00 0.00 ATOM 573 N ALA 73 30.721 -7.975 4.608 1.00 0.00 ATOM 574 CA ALA 73 30.163 -8.378 3.319 1.00 0.00 ATOM 575 CB ALA 73 29.137 -9.485 3.508 1.00 0.00 ATOM 576 O ALA 73 28.537 -7.409 1.820 1.00 0.00 ATOM 577 C ALA 73 29.467 -7.209 2.610 1.00 0.00 ATOM 578 N GLU 74 29.914 -5.984 2.880 1.00 0.00 ATOM 579 CA GLU 74 29.375 -4.824 2.173 1.00 0.00 ATOM 580 CB GLU 74 29.998 -3.485 2.733 1.00 0.00 ATOM 581 CG GLU 74 29.367 -2.243 2.075 1.00 0.00 ATOM 582 CD GLU 74 29.255 -1.018 3.008 1.00 0.00 ATOM 583 OE1 GLU 74 29.407 -1.139 4.249 1.00 0.00 ATOM 584 OE2 GLU 74 28.997 0.088 2.459 1.00 0.00 ATOM 585 O GLU 74 28.787 -4.499 -0.132 1.00 0.00 ATOM 586 C GLU 74 29.591 -4.982 0.662 1.00 0.00 ATOM 587 N GLU 75 30.669 -5.757 0.244 1.00 0.00 ATOM 588 CA GLU 75 30.930 -6.067 -1.170 1.00 0.00 ATOM 589 CB GLU 75 32.219 -7.206 -0.965 1.00 0.00 ATOM 590 CG GLU 75 33.089 -7.122 0.275 1.00 0.00 ATOM 591 CD GLU 75 34.274 -6.198 0.096 1.00 0.00 ATOM 592 OE1 GLU 75 34.939 -6.262 -0.963 1.00 0.00 ATOM 593 OE2 GLU 75 34.542 -5.412 1.026 1.00 0.00 ATOM 594 O GLU 75 29.523 -6.799 -2.975 1.00 0.00 ATOM 595 C GLU 75 29.823 -6.928 -1.789 1.00 0.00 ATOM 596 N ALA 76 29.209 -7.827 -0.975 1.00 0.00 ATOM 597 CA ALA 76 28.129 -8.697 -1.450 1.00 0.00 ATOM 598 CB ALA 76 27.762 -9.710 -0.376 1.00 0.00 ATOM 599 O ALA 76 26.207 -8.107 -2.721 1.00 0.00 ATOM 600 C ALA 76 26.894 -7.869 -1.740 1.00 0.00 ATOM 601 N PHE 77 26.602 -6.908 -0.886 1.00 0.00 ATOM 602 CA PHE 77 25.487 -6.010 -1.143 1.00 0.00 ATOM 603 CB PHE 77 25.335 -5.003 -0.001 1.00 0.00 ATOM 604 CG PHE 77 24.205 -4.033 -0.194 1.00 0.00 ATOM 605 CD1 PHE 77 22.899 -4.408 0.064 1.00 0.00 ATOM 606 CD2 PHE 77 24.448 -2.743 -0.635 1.00 0.00 ATOM 607 CE1 PHE 77 21.859 -3.515 -0.113 1.00 0.00 ATOM 608 CE2 PHE 77 23.408 -1.850 -0.813 1.00 0.00 ATOM 609 CZ PHE 77 22.118 -2.232 -0.554 1.00 0.00 ATOM 610 O PHE 77 24.820 -5.093 -3.270 1.00 0.00 ATOM 611 C PHE 77 25.733 -5.269 -2.473 1.00 0.00 ATOM 612 N LEU 78 26.986 -4.789 -2.706 1.00 0.00 ATOM 613 CA LEU 78 27.324 -4.083 -3.938 1.00 0.00 ATOM 614 CB LEU 78 28.799 -3.676 -3.932 1.00 0.00 ATOM 615 CG LEU 78 29.209 -2.622 -2.901 1.00 0.00 ATOM 616 CD1 LEU 78 30.717 -2.436 -2.893 1.00 0.00 ATOM 617 CD2 LEU 78 28.565 -1.281 -3.217 1.00 0.00 ATOM 618 O LEU 78 26.612 -4.461 -6.200 1.00 0.00 ATOM 619 C LEU 78 27.060 -4.952 -5.166 1.00 0.00 ATOM 620 N ARG 79 27.295 -6.255 -5.049 1.00 0.00 ATOM 621 CA ARG 79 27.029 -7.146 -6.175 1.00 0.00 ATOM 622 CB ARG 79 27.686 -8.507 -5.978 1.00 0.00 ATOM 623 CG ARG 79 27.507 -9.561 -7.074 1.00 0.00 ATOM 624 CD ARG 79 28.265 -10.871 -6.826 1.00 0.00 ATOM 625 NE ARG 79 29.434 -10.727 -5.941 1.00 0.00 ATOM 626 CZ ARG 79 29.681 -11.514 -4.876 1.00 0.00 ATOM 627 NH1 ARG 79 28.848 -12.529 -4.543 1.00 0.00 ATOM 628 NH2 ARG 79 30.783 -11.290 -4.132 1.00 0.00 ATOM 629 O ARG 79 25.076 -7.040 -7.587 1.00 0.00 ATOM 630 C ARG 79 25.522 -7.176 -6.441 1.00 0.00 ATOM 631 N ALA 80 24.738 -7.355 -5.376 1.00 0.00 ATOM 632 CA ALA 80 23.280 -7.402 -5.500 1.00 0.00 ATOM 633 CB ALA 80 22.637 -7.577 -4.133 1.00 0.00 ATOM 634 O ALA 80 21.865 -6.104 -6.948 1.00 0.00 ATOM 635 C ALA 80 22.781 -6.108 -6.121 1.00 0.00 ATOM 636 N TYR 81 23.398 -5.002 -5.729 1.00 0.00 ATOM 637 CA TYR 81 23.013 -3.705 -6.248 1.00 0.00 ATOM 638 CB TYR 81 23.762 -2.590 -5.517 1.00 0.00 ATOM 639 CG TYR 81 23.437 -1.201 -6.020 1.00 0.00 ATOM 640 CD1 TYR 81 22.263 -0.565 -5.640 1.00 0.00 ATOM 641 CD2 TYR 81 24.305 -0.532 -6.874 1.00 0.00 ATOM 642 CE1 TYR 81 21.956 0.704 -6.095 1.00 0.00 ATOM 643 CE2 TYR 81 24.016 0.736 -7.339 1.00 0.00 ATOM 644 CZ TYR 81 22.829 1.353 -6.941 1.00 0.00 ATOM 645 OH TYR 81 22.527 2.616 -7.395 1.00 0.00 ATOM 646 O TYR 81 22.465 -3.048 -8.489 1.00 0.00 ATOM 647 C TYR 81 23.314 -3.517 -7.732 1.00 0.00 ATOM 648 N ALA 82 24.525 -3.858 -8.148 1.00 0.00 ATOM 649 CA ALA 82 24.924 -3.734 -9.549 1.00 0.00 ATOM 650 CB ALA 82 26.378 -4.136 -9.741 1.00 0.00 ATOM 651 O ALA 82 23.448 -4.218 -11.346 1.00 0.00 ATOM 652 C ALA 82 24.001 -4.653 -10.330 1.00 0.00 ATOM 653 N LYS 83 23.828 -5.852 -9.942 1.00 0.00 ATOM 654 CA LYS 83 22.968 -6.784 -10.671 1.00 0.00 ATOM 655 CB LYS 83 23.183 -8.212 -10.165 1.00 0.00 ATOM 656 CG LYS 83 22.364 -9.260 -10.900 1.00 0.00 ATOM 657 CD LYS 83 22.657 -10.657 -10.376 1.00 0.00 ATOM 658 CE LYS 83 21.845 -11.707 -11.117 1.00 0.00 ATOM 659 NZ LYS 83 22.138 -13.082 -10.630 1.00 0.00 ATOM 660 O LYS 83 20.757 -6.365 -11.474 1.00 0.00 ATOM 661 C LYS 83 21.494 -6.417 -10.492 1.00 0.00 ATOM 662 N ASP 84 21.021 -6.442 -9.182 1.00 0.00 ATOM 663 CA ASP 84 19.626 -6.214 -8.817 1.00 0.00 ATOM 664 CB ASP 84 19.468 -6.157 -7.299 1.00 0.00 ATOM 665 CG ASP 84 18.009 -5.973 -6.886 1.00 0.00 ATOM 666 OD1 ASP 84 17.225 -6.927 -7.112 1.00 0.00 ATOM 667 OD2 ASP 84 17.680 -4.899 -6.359 1.00 0.00 ATOM 668 O ASP 84 17.926 -4.866 -9.791 1.00 0.00 ATOM 669 C ASP 84 19.098 -4.899 -9.384 1.00 0.00 ATOM 670 N GLU 85 19.917 -3.833 -9.445 1.00 0.00 ATOM 671 CA GLU 85 19.459 -2.543 -9.944 1.00 0.00 ATOM 672 CB GLU 85 20.531 -1.461 -9.799 1.00 0.00 ATOM 673 CG GLU 85 20.069 -0.071 -10.205 1.00 0.00 ATOM 674 CD GLU 85 21.111 0.995 -9.926 1.00 0.00 ATOM 675 OE1 GLU 85 22.265 0.827 -10.373 1.00 0.00 ATOM 676 OE2 GLU 85 20.774 1.996 -9.261 1.00 0.00 ATOM 677 O GLU 85 18.192 -1.773 -11.809 1.00 0.00 ATOM 678 C GLU 85 19.041 -2.554 -11.418 1.00 0.00 ATOM 679 N PRO 86 19.575 -3.471 -12.210 1.00 0.00 ATOM 680 CA PRO 86 19.254 -3.534 -13.645 1.00 0.00 ATOM 681 CB PRO 86 20.510 -3.859 -14.345 1.00 0.00 ATOM 682 CG PRO 86 21.370 -4.497 -13.304 1.00 0.00 ATOM 683 CD PRO 86 21.073 -3.673 -12.083 1.00 0.00 ATOM 684 O PRO 86 17.437 -4.342 -15.018 1.00 0.00 ATOM 685 C PRO 86 18.096 -4.487 -13.980 1.00 0.00 ATOM 686 N LEU 87 17.824 -5.440 -13.091 1.00 0.00 ATOM 687 CA LEU 87 16.703 -6.348 -13.284 1.00 0.00 ATOM 688 CB LEU 87 17.182 -7.784 -13.368 1.00 0.00 ATOM 689 CG LEU 87 18.000 -8.131 -14.620 1.00 0.00 ATOM 690 CD1 LEU 87 18.423 -9.588 -14.573 1.00 0.00 ATOM 691 CD2 LEU 87 17.172 -7.853 -15.876 1.00 0.00 ATOM 692 O LEU 87 16.272 -6.475 -10.943 1.00 0.00 ATOM 693 C LEU 87 15.812 -6.288 -12.068 1.00 0.00 ATOM 694 N TYR 88 14.556 -6.003 -12.307 1.00 0.00 ATOM 695 CA TYR 88 13.573 -5.928 -11.230 1.00 0.00 ATOM 696 CB TYR 88 12.761 -4.659 -11.530 1.00 0.00 ATOM 697 CG TYR 88 11.753 -4.322 -10.469 1.00 0.00 ATOM 698 CD1 TYR 88 12.135 -3.667 -9.286 1.00 0.00 ATOM 699 CD2 TYR 88 10.419 -4.699 -10.620 1.00 0.00 ATOM 700 CE1 TYR 88 11.195 -3.401 -8.278 1.00 0.00 ATOM 701 CE2 TYR 88 9.480 -4.448 -9.607 1.00 0.00 ATOM 702 CZ TYR 88 9.882 -3.802 -8.455 1.00 0.00 ATOM 703 OH TYR 88 8.938 -3.547 -7.487 1.00 0.00 ATOM 704 O TYR 88 12.009 -7.452 -12.218 1.00 0.00 ATOM 705 C TYR 88 12.664 -7.156 -11.220 1.00 0.00 ATOM 706 N ALA 89 12.658 -7.889 -10.112 1.00 0.00 ATOM 707 CA ALA 89 11.827 -9.079 -10.010 1.00 0.00 ATOM 708 CB ALA 89 12.632 -10.330 -9.562 1.00 0.00 ATOM 709 O ALA 89 10.953 -8.522 -7.844 1.00 0.00 ATOM 710 C ALA 89 10.708 -8.857 -9.006 1.00 0.00 ATOM 711 N TRP 90 9.475 -9.040 -9.439 1.00 0.00 ATOM 712 CA TRP 90 8.327 -8.871 -8.548 1.00 0.00 ATOM 713 CB TRP 90 7.156 -8.215 -9.226 1.00 0.00 ATOM 714 CG TRP 90 5.906 -7.900 -8.495 1.00 0.00 ATOM 715 CD1 TRP 90 4.649 -8.292 -8.928 1.00 0.00 ATOM 716 CD2 TRP 90 5.685 -7.143 -7.315 1.00 0.00 ATOM 717 CE2 TRP 90 4.306 -7.126 -7.049 1.00 0.00 ATOM 718 CE3 TRP 90 6.555 -6.472 -6.431 1.00 0.00 ATOM 719 NE1 TRP 90 3.695 -7.851 -8.046 1.00 0.00 ATOM 720 CZ2 TRP 90 3.745 -6.477 -5.962 1.00 0.00 ATOM 721 CZ3 TRP 90 5.982 -5.826 -5.352 1.00 0.00 ATOM 722 CH2 TRP 90 4.599 -5.815 -5.116 1.00 0.00 ATOM 723 O TRP 90 7.495 -11.092 -8.916 1.00 0.00 ATOM 724 C TRP 90 8.007 -10.318 -8.110 1.00 0.00 ATOM 725 N VAL 91 8.442 -10.584 -6.903 1.00 0.00 ATOM 726 CA VAL 91 8.361 -11.948 -6.379 1.00 0.00 ATOM 727 CB VAL 91 9.750 -12.465 -5.924 1.00 0.00 ATOM 728 CG1 VAL 91 10.741 -12.469 -7.083 1.00 0.00 ATOM 729 CG2 VAL 91 10.257 -11.558 -4.876 1.00 0.00 ATOM 730 O VAL 91 7.087 -11.482 -4.350 1.00 0.00 ATOM 731 C VAL 91 7.311 -12.174 -5.339 1.00 0.00 ATOM 732 N LEU 92 6.372 -13.144 -5.807 1.00 0.00 ATOM 733 CA LEU 92 5.334 -13.580 -4.921 1.00 0.00 ATOM 734 CB LEU 92 4.592 -14.778 -5.514 1.00 0.00 ATOM 735 CG LEU 92 3.840 -14.532 -6.823 1.00 0.00 ATOM 736 CD1 LEU 92 3.242 -15.827 -7.352 1.00 0.00 ATOM 737 CD2 LEU 92 2.710 -13.537 -6.614 1.00 0.00 ATOM 738 O LEU 92 7.032 -14.140 -3.340 1.00 0.00 ATOM 739 C LEU 92 5.838 -14.008 -3.555 1.00 0.00 ATOM 740 N GLU 93 4.914 -14.267 -2.642 1.00 0.00 ATOM 741 CA GLU 93 5.298 -14.559 -1.290 1.00 0.00 ATOM 742 CB GLU 93 4.061 -14.727 -0.406 1.00 0.00 ATOM 743 CG GLU 93 3.310 -13.434 -0.137 1.00 0.00 ATOM 744 CD GLU 93 2.041 -13.654 0.663 1.00 0.00 ATOM 745 OE1 GLU 93 1.711 -14.824 0.946 1.00 0.00 ATOM 746 OE2 GLU 93 1.374 -12.654 1.006 1.00 0.00 ATOM 747 O GLU 93 7.076 -15.790 -0.264 1.00 0.00 ATOM 748 C GLU 93 6.197 -15.778 -1.121 1.00 0.00 ATOM 749 N ASN 94 6.034 -16.901 -1.994 1.00 0.00 ATOM 750 CA ASN 94 6.852 -18.109 -1.933 1.00 0.00 ATOM 751 CB ASN 94 6.406 -19.201 -2.908 1.00 0.00 ATOM 752 CG ASN 94 5.128 -19.888 -2.466 1.00 0.00 ATOM 753 ND2 ASN 94 4.453 -20.538 -3.407 1.00 0.00 ATOM 754 OD1 ASN 94 4.757 -19.836 -1.294 1.00 0.00 ATOM 755 O ASN 94 9.230 -18.241 -1.674 1.00 0.00 ATOM 756 C ASN 94 8.287 -17.756 -2.300 1.00 0.00 ATOM 757 N ALA 95 8.424 -16.872 -3.265 1.00 0.00 ATOM 758 CA ALA 95 9.754 -16.438 -3.675 1.00 0.00 ATOM 759 CB ALA 95 9.698 -15.592 -4.939 1.00 0.00 ATOM 760 O ALA 95 11.634 -15.724 -2.347 1.00 0.00 ATOM 761 C ALA 95 10.414 -15.616 -2.557 1.00 0.00 ATOM 762 N PHE 96 9.603 -14.761 -1.780 1.00 0.00 ATOM 763 CA PHE 96 10.130 -13.921 -0.698 1.00 0.00 ATOM 764 CB PHE 96 9.048 -13.016 -0.107 1.00 0.00 ATOM 765 CG PHE 96 9.578 -11.963 0.824 1.00 0.00 ATOM 766 CD1 PHE 96 10.292 -10.882 0.335 1.00 0.00 ATOM 767 CD2 PHE 96 9.363 -12.052 2.188 1.00 0.00 ATOM 768 CE1 PHE 96 10.781 -9.914 1.191 1.00 0.00 ATOM 769 CE2 PHE 96 9.851 -11.084 3.045 1.00 0.00 ATOM 770 CZ PHE 96 10.558 -10.018 2.551 1.00 0.00 ATOM 771 O PHE 96 11.306 -14.208 1.302 1.00 0.00 ATOM 772 C PHE 96 10.677 -14.758 0.410 1.00 0.00 ATOM 773 N ARG 97 10.252 -16.022 0.431 1.00 0.00 ATOM 774 CA ARG 97 10.743 -16.956 1.425 1.00 0.00 ATOM 775 CB ARG 97 10.010 -18.333 1.217 1.00 0.00 ATOM 776 CG ARG 97 8.594 -18.318 1.701 1.00 0.00 ATOM 777 CD ARG 97 7.913 -19.630 1.494 1.00 0.00 ATOM 778 NE ARG 97 6.510 -19.508 1.854 1.00 0.00 ATOM 779 CZ ARG 97 5.812 -20.491 2.406 1.00 0.00 ATOM 780 NH1 ARG 97 6.429 -21.624 2.705 1.00 0.00 ATOM 781 NH2 ARG 97 4.544 -20.303 2.736 1.00 0.00 ATOM 782 O ARG 97 12.809 -17.308 2.542 1.00 0.00 ATOM 783 C ARG 97 12.249 -17.073 1.444 1.00 0.00 ATOM 784 N TYR 98 12.879 -16.845 0.213 1.00 0.00 ATOM 785 CA TYR 98 14.345 -16.993 0.098 1.00 0.00 ATOM 786 CB TYR 98 14.698 -17.984 -1.013 1.00 0.00 ATOM 787 CG TYR 98 14.161 -19.378 -0.784 1.00 0.00 ATOM 788 CD1 TYR 98 13.045 -19.832 -1.475 1.00 0.00 ATOM 789 CD2 TYR 98 14.771 -20.235 0.123 1.00 0.00 ATOM 790 CE1 TYR 98 12.548 -21.107 -1.272 1.00 0.00 ATOM 791 CE2 TYR 98 14.288 -21.512 0.339 1.00 0.00 ATOM 792 CZ TYR 98 13.165 -21.942 -0.369 1.00 0.00 ATOM 793 OH TYR 98 12.671 -23.211 -0.164 1.00 0.00 ATOM 794 O TYR 98 16.119 -15.691 -0.852 1.00 0.00 ATOM 795 C TYR 98 15.056 -15.694 -0.227 1.00 0.00 ATOM 796 N GLU 99 14.449 -14.605 0.228 1.00 0.00 ATOM 797 CA GLU 99 14.953 -13.269 -0.084 1.00 0.00 ATOM 798 CB GLU 99 14.120 -12.203 0.628 1.00 0.00 ATOM 799 CG GLU 99 14.575 -10.777 0.360 1.00 0.00 ATOM 800 CD GLU 99 14.357 -10.358 -1.082 1.00 0.00 ATOM 801 OE1 GLU 99 13.650 -11.084 -1.811 1.00 0.00 ATOM 802 OE2 GLU 99 14.894 -9.303 -1.480 1.00 0.00 ATOM 803 O GLU 99 17.239 -12.672 -0.390 1.00 0.00 ATOM 804 C GLU 99 16.393 -13.140 0.367 1.00 0.00 ATOM 805 N LYS 100 16.694 -13.596 1.565 1.00 0.00 ATOM 806 CA LYS 100 18.066 -13.521 2.007 1.00 0.00 ATOM 807 CB LYS 100 18.220 -14.150 3.393 1.00 0.00 ATOM 808 CG LYS 100 17.581 -13.345 4.514 1.00 0.00 ATOM 809 CD LYS 100 17.764 -14.029 5.859 1.00 0.00 ATOM 810 CE LYS 100 17.122 -13.225 6.978 1.00 0.00 ATOM 811 NZ LYS 100 17.266 -13.899 8.297 1.00 0.00 ATOM 812 O LYS 100 20.204 -13.804 0.926 1.00 0.00 ATOM 813 C LYS 100 19.065 -14.218 1.130 1.00 0.00 ATOM 814 N PRO 101 18.682 -15.470 0.151 1.00 0.00 ATOM 815 CA PRO 101 19.538 -16.140 -0.817 1.00 0.00 ATOM 816 CB PRO 101 20.204 -17.229 0.013 1.00 0.00 ATOM 817 CG PRO 101 19.137 -17.580 1.002 1.00 0.00 ATOM 818 CD PRO 101 18.610 -16.223 1.419 1.00 0.00 ATOM 819 O PRO 101 17.721 -17.449 -1.657 1.00 0.00 ATOM 820 C PRO 101 18.621 -16.656 -1.923 1.00 0.00 ATOM 821 N LEU 102 18.880 -16.262 -3.166 1.00 0.00 ATOM 822 CA LEU 102 18.015 -16.676 -4.262 1.00 0.00 ATOM 823 CB LEU 102 16.912 -15.625 -4.419 1.00 0.00 ATOM 824 CG LEU 102 15.732 -15.987 -5.308 1.00 0.00 ATOM 825 CD1 LEU 102 14.948 -17.175 -4.740 1.00 0.00 ATOM 826 CD2 LEU 102 14.826 -14.771 -5.430 1.00 0.00 ATOM 827 O LEU 102 19.495 -15.815 -5.941 1.00 0.00 ATOM 828 C LEU 102 18.613 -16.644 -5.652 1.00 0.00 ATOM 829 N HIS 103 18.203 -17.693 -6.721 1.00 0.00 ATOM 830 CA HIS 103 18.606 -17.683 -8.136 1.00 0.00 ATOM 831 CB HIS 103 18.146 -18.981 -8.773 1.00 0.00 ATOM 832 CG HIS 103 18.913 -20.171 -8.275 1.00 0.00 ATOM 833 CD2 HIS 103 19.503 -20.428 -7.076 1.00 0.00 ATOM 834 ND1 HIS 103 19.136 -21.284 -9.055 1.00 0.00 ATOM 835 CE1 HIS 103 19.828 -22.178 -8.360 1.00 0.00 ATOM 836 NE2 HIS 103 20.056 -21.688 -7.149 1.00 0.00 ATOM 837 O HIS 103 16.542 -16.639 -8.734 1.00 0.00 ATOM 838 C HIS 103 17.759 -16.678 -8.893 1.00 0.00 ATOM 839 N VAL 104 18.397 -15.880 -9.736 1.00 0.00 ATOM 840 CA VAL 104 17.721 -14.838 -10.501 1.00 0.00 ATOM 841 CB VAL 104 18.257 -13.439 -10.147 1.00 0.00 ATOM 842 CG1 VAL 104 17.563 -12.375 -10.984 1.00 0.00 ATOM 843 CG2 VAL 104 18.011 -13.130 -8.678 1.00 0.00 ATOM 844 O VAL 104 19.053 -15.057 -12.461 1.00 0.00 ATOM 845 C VAL 104 17.920 -15.043 -11.992 1.00 0.00 ATOM 846 N PRO 105 16.836 -15.209 -12.736 1.00 0.00 ATOM 847 CA PRO 105 16.928 -15.403 -14.184 1.00 0.00 ATOM 848 CB PRO 105 15.516 -15.831 -14.591 1.00 0.00 ATOM 849 CG PRO 105 14.634 -15.255 -13.536 1.00 0.00 ATOM 850 CD PRO 105 15.431 -15.285 -12.263 1.00 0.00 ATOM 851 O PRO 105 16.850 -13.079 -14.657 1.00 0.00 ATOM 852 C PRO 105 17.338 -14.164 -14.946 1.00 0.00 ATOM 853 N ARG 106 18.205 -14.327 -15.938 1.00 0.00 ATOM 854 CA ARG 106 18.627 -13.183 -16.740 1.00 0.00 ATOM 855 CB ARG 106 20.154 -13.120 -16.823 1.00 0.00 ATOM 856 CG ARG 106 20.835 -12.823 -15.497 1.00 0.00 ATOM 857 CD ARG 106 22.348 -12.847 -15.637 1.00 0.00 ATOM 858 NE ARG 106 22.846 -14.175 -15.985 1.00 0.00 ATOM 859 CZ ARG 106 24.071 -14.419 -16.440 1.00 0.00 ATOM 860 NH1 ARG 106 24.435 -15.659 -16.731 1.00 0.00 ATOM 861 NH2 ARG 106 24.929 -13.419 -16.602 1.00 0.00 ATOM 862 O ARG 106 17.646 -14.502 -18.492 1.00 0.00 ATOM 863 C ARG 106 17.941 -13.349 -18.095 1.00 0.00 ATOM 864 N ARG 107 17.695 -12.276 -18.829 1.00 0.00 ATOM 865 CA ARG 107 17.103 -12.359 -20.163 1.00 0.00 ATOM 866 CB ARG 107 16.018 -11.299 -20.370 1.00 0.00 ATOM 867 CG ARG 107 14.774 -11.512 -19.523 1.00 0.00 ATOM 868 CD ARG 107 13.724 -10.451 -19.809 1.00 0.00 ATOM 869 NE ARG 107 12.581 -10.556 -18.906 1.00 0.00 ATOM 870 CZ ARG 107 11.518 -9.759 -18.950 1.00 0.00 ATOM 871 NH1 ARG 107 10.525 -9.928 -18.088 1.00 0.00 ATOM 872 NH2 ARG 107 11.450 -8.794 -19.857 1.00 0.00 ATOM 873 O ARG 107 18.980 -11.153 -21.072 1.00 0.00 ATOM 874 C ARG 107 18.231 -12.120 -21.172 1.00 0.00 ATOM 875 N PRO 108 18.283 -12.934 -22.238 1.00 0.00 ATOM 876 CA PRO 108 17.342 -14.018 -22.499 1.00 0.00 ATOM 877 CB PRO 108 17.162 -13.993 -24.019 1.00 0.00 ATOM 878 CG PRO 108 18.513 -13.651 -24.549 1.00 0.00 ATOM 879 CD PRO 108 19.109 -12.674 -23.573 1.00 0.00 ATOM 880 O PRO 108 16.936 -16.362 -22.696 1.00 0.00 ATOM 881 C PRO 108 17.638 -15.481 -22.197 1.00 0.00 ATOM 882 N GLY 109 18.667 -15.811 -21.321 1.00 0.00 ATOM 883 CA GLY 109 18.998 -17.202 -21.042 1.00 0.00 ATOM 884 O GLY 109 19.233 -18.841 -19.315 1.00 0.00 ATOM 885 C GLY 109 19.610 -17.736 -19.748 1.00 0.00 ATOM 886 N ARG 110 20.560 -17.054 -19.125 1.00 0.00 ATOM 887 CA ARG 110 21.175 -17.657 -17.924 1.00 0.00 ATOM 888 CB ARG 110 22.685 -17.677 -18.136 1.00 0.00 ATOM 889 CG ARG 110 23.110 -18.569 -19.317 1.00 0.00 ATOM 890 CD ARG 110 24.557 -18.397 -19.688 1.00 0.00 ATOM 891 NE ARG 110 24.916 -19.239 -20.821 1.00 0.00 ATOM 892 CZ ARG 110 26.043 -19.144 -21.500 1.00 0.00 ATOM 893 NH1 ARG 110 26.928 -18.220 -21.166 1.00 0.00 ATOM 894 NH2 ARG 110 26.263 -19.943 -22.535 1.00 0.00 ATOM 895 O ARG 110 19.488 -16.752 -16.477 1.00 0.00 ATOM 896 C ARG 110 20.583 -17.313 -16.553 1.00 0.00 ATOM 897 N VAL 111 21.261 -17.725 -15.481 1.00 0.00 ATOM 898 CA VAL 111 20.813 -17.401 -14.129 1.00 0.00 ATOM 899 CB VAL 111 19.900 -18.502 -13.557 1.00 0.00 ATOM 900 CG1 VAL 111 20.660 -19.815 -13.442 1.00 0.00 ATOM 901 CG2 VAL 111 19.398 -18.114 -12.176 1.00 0.00 ATOM 902 O VAL 111 23.061 -17.766 -13.393 1.00 0.00 ATOM 903 C VAL 111 21.995 -17.188 -13.199 1.00 0.00 ATOM 904 N MET 112 21.838 -16.327 -12.168 1.00 0.00 ATOM 905 CA MET 112 22.899 -16.082 -11.204 1.00 0.00 ATOM 906 CB MET 112 23.501 -14.683 -11.373 1.00 0.00 ATOM 907 CG MET 112 24.781 -14.500 -10.558 1.00 0.00 ATOM 908 SD MET 112 25.645 -12.943 -10.830 1.00 0.00 ATOM 909 CE MET 112 26.246 -13.171 -12.474 1.00 0.00 ATOM 910 O MET 112 21.269 -15.755 -9.535 1.00 0.00 ATOM 911 C MET 112 22.391 -16.194 -9.802 1.00 0.00 ATOM 912 N PHE 113 23.169 -16.800 -8.910 1.00 0.00 ATOM 913 CA PHE 113 22.786 -16.969 -7.528 1.00 0.00 ATOM 914 CB PHE 113 23.485 -18.191 -6.931 1.00 0.00 ATOM 915 CG PHE 113 23.030 -18.529 -5.540 1.00 0.00 ATOM 916 CD1 PHE 113 21.868 -19.251 -5.332 1.00 0.00 ATOM 917 CD2 PHE 113 23.765 -18.127 -4.438 1.00 0.00 ATOM 918 CE1 PHE 113 21.448 -19.563 -4.053 1.00 0.00 ATOM 919 CE2 PHE 113 23.348 -18.439 -3.159 1.00 0.00 ATOM 920 CZ PHE 113 22.194 -19.154 -2.964 1.00 0.00 ATOM 921 O PHE 113 24.384 -15.378 -6.708 1.00 0.00 ATOM 922 C PHE 113 23.195 -15.701 -6.793 1.00 0.00 ATOM 923 N VAL 114 22.207 -14.966 -6.305 1.00 0.00 ATOM 924 CA VAL 114 22.449 -13.712 -5.619 1.00 0.00 ATOM 925 CB VAL 114 21.521 -12.598 -6.136 1.00 0.00 ATOM 926 CG1 VAL 114 21.747 -11.311 -5.359 1.00 0.00 ATOM 927 CG2 VAL 114 21.787 -12.323 -7.609 1.00 0.00 ATOM 928 O VAL 114 21.180 -14.295 -3.670 1.00 0.00 ATOM 929 C VAL 114 22.172 -13.727 -4.117 1.00 0.00 ATOM 930 N ASP 115 23.062 -13.067 -3.327 1.00 0.00 ATOM 931 CA ASP 115 22.920 -13.003 -1.881 1.00 0.00 ATOM 932 CB ASP 115 24.309 -13.017 -1.239 1.00 0.00 ATOM 933 CG ASP 115 24.250 -13.002 0.277 1.00 0.00 ATOM 934 OD1 ASP 115 23.136 -12.874 0.826 1.00 0.00 ATOM 935 OD2 ASP 115 25.318 -13.118 0.914 1.00 0.00 ATOM 936 O ASP 115 22.769 -10.657 -1.476 1.00 0.00 ATOM 937 C ASP 115 22.211 -11.754 -1.433 1.00 0.00 ATOM 938 N LEU 116 20.948 -11.905 -1.056 1.00 0.00 ATOM 939 CA LEU 116 20.170 -10.751 -0.684 1.00 0.00 ATOM 940 CB LEU 116 18.764 -10.780 -1.261 1.00 0.00 ATOM 941 CG LEU 116 18.819 -10.707 -2.797 1.00 0.00 ATOM 942 CD1 LEU 116 17.378 -10.929 -3.265 1.00 0.00 ATOM 943 CD2 LEU 116 19.495 -9.458 -3.335 1.00 0.00 ATOM 944 O LEU 116 19.194 -10.007 1.370 1.00 0.00 ATOM 945 C LEU 116 20.070 -10.706 0.836 1.00 0.00 ATOM 946 N SER 117 21.002 -11.412 1.602 1.00 0.00 ATOM 947 CA SER 117 20.871 -11.580 3.044 1.00 0.00 ATOM 948 CB SER 117 21.984 -12.437 3.648 1.00 0.00 ATOM 949 OG SER 117 23.248 -11.812 3.501 1.00 0.00 ATOM 950 O SER 117 20.364 -10.180 4.936 1.00 0.00 ATOM 951 C SER 117 20.912 -10.249 3.815 1.00 0.00 ATOM 952 N GLU 118 21.524 -9.223 3.234 1.00 0.00 ATOM 953 CA GLU 118 21.638 -7.951 3.956 1.00 0.00 ATOM 954 CB GLU 118 22.918 -7.219 3.450 1.00 0.00 ATOM 955 CG GLU 118 24.195 -7.849 3.993 1.00 0.00 ATOM 956 CD GLU 118 25.389 -7.758 3.064 1.00 0.00 ATOM 957 OE1 GLU 118 25.443 -6.830 2.231 1.00 0.00 ATOM 958 OE2 GLU 118 26.290 -8.619 3.192 1.00 0.00 ATOM 959 O GLU 118 20.193 -6.198 4.686 1.00 0.00 ATOM 960 C GLU 118 20.372 -7.108 3.878 1.00 0.00 ATOM 961 N VAL 119 19.369 -7.373 2.918 1.00 0.00 ATOM 962 CA VAL 119 18.167 -6.563 2.723 1.00 0.00 ATOM 963 CB VAL 119 18.143 -5.770 1.402 1.00 0.00 ATOM 964 CG1 VAL 119 19.252 -4.729 1.385 1.00 0.00 ATOM 965 CG2 VAL 119 18.340 -6.702 0.217 1.00 0.00 ATOM 966 O VAL 119 17.142 -8.719 2.610 1.00 0.00 ATOM 967 C VAL 119 16.973 -7.505 2.709 1.00 0.00 ATOM 968 N ARG 120 15.775 -6.932 2.807 1.00 0.00 ATOM 969 CA ARG 120 14.519 -7.690 2.738 1.00 0.00 ATOM 970 CB ARG 120 13.794 -7.722 4.086 1.00 0.00 ATOM 971 CG ARG 120 14.510 -8.463 5.215 1.00 0.00 ATOM 972 CD ARG 120 14.691 -9.951 4.952 1.00 0.00 ATOM 973 NE ARG 120 13.461 -10.568 4.486 1.00 0.00 ATOM 974 CZ ARG 120 13.389 -11.776 3.948 1.00 0.00 ATOM 975 NH1 ARG 120 14.491 -12.500 3.832 1.00 0.00 ATOM 976 NH2 ARG 120 12.217 -12.269 3.543 1.00 0.00 ATOM 977 O ARG 120 13.644 -5.679 1.758 1.00 0.00 ATOM 978 C ARG 120 13.626 -6.918 1.765 1.00 0.00 ATOM 979 N TRP 121 12.926 -7.649 0.897 1.00 0.00 ATOM 980 CA TRP 121 12.033 -7.028 -0.065 1.00 0.00 ATOM 981 CB TRP 121 11.507 -8.217 -0.973 1.00 0.00 ATOM 982 CG TRP 121 10.643 -7.735 -2.102 1.00 0.00 ATOM 983 CD1 TRP 121 9.280 -7.615 -2.109 1.00 0.00 ATOM 984 CD2 TRP 121 11.078 -7.264 -3.403 1.00 0.00 ATOM 985 CE2 TRP 121 9.921 -6.882 -4.118 1.00 0.00 ATOM 986 CE3 TRP 121 12.317 -7.123 -4.042 1.00 0.00 ATOM 987 NE1 TRP 121 8.832 -7.123 -3.283 1.00 0.00 ATOM 988 CZ2 TRP 121 9.989 -6.370 -5.390 1.00 0.00 ATOM 989 CZ3 TRP 121 12.353 -6.604 -5.352 1.00 0.00 ATOM 990 CH2 TRP 121 11.196 -6.245 -6.006 1.00 0.00 ATOM 991 O TRP 121 10.517 -5.201 0.029 1.00 0.00 ATOM 992 C TRP 121 10.990 -6.162 0.615 1.00 0.00 TER END