PFRMAT TS TARGET T0150 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR 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 DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 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 [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD MODEL 1 PARENT N/A ATOM 1 N GLY -2 -8.535 2.183 4.754 1.00 0.00 ATOM 2 CA GLY -2 -9.710 3.052 4.913 1.00 0.00 ATOM 3 O GLY -2 -11.207 1.365 4.155 1.00 0.00 ATOM 4 C GLY -2 -10.875 2.550 4.077 1.00 0.00 ATOM 5 N SER -1 -11.701 3.517 3.751 1.00 0.00 ATOM 6 CA SER -1 -13.106 3.259 3.436 1.00 0.00 ATOM 7 CB SER -1 -13.789 4.549 2.972 1.00 0.00 ATOM 8 OG SER -1 -15.113 4.296 2.535 1.00 0.00 ATOM 9 O SER -1 -14.167 1.309 2.535 1.00 0.00 ATOM 10 C SER -1 -13.310 2.176 2.385 1.00 0.00 ATOM 11 N VAL 1 -12.504 2.224 1.335 1.00 0.00 ATOM 12 CA VAL 1 -12.625 1.239 0.238 1.00 0.00 ATOM 13 CB VAL 1 -11.694 1.576 -0.938 1.00 0.00 ATOM 14 CG1 VAL 1 -12.071 2.977 -1.480 1.00 0.00 ATOM 15 CG2 VAL 1 -10.219 1.534 -0.530 1.00 0.00 ATOM 16 O VAL 1 -11.772 -0.351 1.845 1.00 0.00 ATOM 17 C VAL 1 -12.299 -0.183 0.743 1.00 0.00 ATOM 18 N ASP 2 -12.641 -1.165 -0.084 1.00 0.00 ATOM 19 CA ASP 2 -12.385 -2.570 0.245 1.00 0.00 ATOM 20 CB ASP 2 -12.834 -3.474 -0.902 1.00 0.00 ATOM 21 CG ASP 2 -14.339 -3.600 -0.995 1.00 0.00 ATOM 22 OD1 ASP 2 -15.036 -2.579 -0.824 1.00 0.00 ATOM 23 OD2 ASP 2 -14.820 -4.707 -1.319 1.00 0.00 ATOM 24 O ASP 2 -10.645 -3.728 1.430 1.00 0.00 ATOM 25 C ASP 2 -10.922 -2.887 0.569 1.00 0.00 ATOM 26 N PHE 3 -10.006 -2.280 -0.185 1.00 0.00 ATOM 27 CA PHE 3 -8.558 -2.561 -0.007 1.00 0.00 ATOM 28 CB PHE 3 -7.656 -1.883 -1.045 1.00 0.00 ATOM 29 CG PHE 3 -7.619 -2.622 -2.333 1.00 0.00 ATOM 30 CD1 PHE 3 -6.846 -3.736 -2.485 1.00 0.00 ATOM 31 CD2 PHE 3 -8.429 -2.205 -3.418 1.00 0.00 ATOM 32 CE1 PHE 3 -6.871 -4.384 -3.711 1.00 0.00 ATOM 33 CE2 PHE 3 -8.448 -2.886 -4.624 1.00 0.00 ATOM 34 CZ PHE 3 -7.667 -3.987 -4.772 1.00 0.00 ATOM 35 O PHE 3 -7.266 -2.883 2.026 1.00 0.00 ATOM 36 C PHE 3 -8.083 -2.181 1.411 1.00 0.00 ATOM 37 N ALA 4 -8.587 -1.080 1.937 1.00 0.00 ATOM 38 CA ALA 4 -8.255 -0.598 3.275 1.00 0.00 ATOM 39 CB ALA 4 -8.831 0.848 3.578 1.00 0.00 ATOM 40 O ALA 4 -8.000 -1.847 5.314 1.00 0.00 ATOM 41 C ALA 4 -8.773 -1.513 4.384 1.00 0.00 ATOM 42 N PHE 5 -10.040 -1.930 4.328 1.00 0.00 ATOM 43 CA PHE 5 -10.562 -2.951 5.205 1.00 0.00 ATOM 44 CB PHE 5 -12.038 -3.139 4.907 1.00 0.00 ATOM 45 CG PHE 5 -12.579 -4.274 5.685 1.00 0.00 ATOM 46 CD1 PHE 5 -12.810 -4.097 7.046 1.00 0.00 ATOM 47 CD2 PHE 5 -12.820 -5.513 5.078 1.00 0.00 ATOM 48 CE1 PHE 5 -13.366 -5.126 7.806 1.00 0.00 ATOM 49 CE2 PHE 5 -13.283 -6.589 5.842 1.00 0.00 ATOM 50 CZ PHE 5 -13.598 -6.364 7.193 1.00 0.00 ATOM 51 O PHE 5 -9.375 -4.883 5.978 1.00 0.00 ATOM 52 C PHE 5 -9.835 -4.269 5.017 1.00 0.00 ATOM 53 N GLU 6 -9.657 -4.687 3.780 1.00 0.00 ATOM 54 CA GLU 6 -8.959 -5.946 3.518 1.00 0.00 ATOM 55 CB GLU 6 -8.990 -6.281 2.022 1.00 0.00 ATOM 56 CG GLU 6 -10.330 -6.804 1.499 1.00 0.00 ATOM 57 CD GLU 6 -10.677 -8.191 2.024 1.00 0.00 ATOM 58 OE1 GLU 6 -11.405 -8.301 3.035 1.00 0.00 ATOM 59 OE2 GLU 6 -10.215 -9.180 1.423 1.00 0.00 ATOM 60 O GLU 6 -7.006 -6.793 4.648 1.00 0.00 ATOM 61 C GLU 6 -7.508 -5.866 4.004 1.00 0.00 ATOM 62 N LEU 7 -6.836 -4.759 3.700 1.00 0.00 ATOM 63 CA LEU 7 -5.446 -4.580 4.121 1.00 0.00 ATOM 64 CB LEU 7 -4.889 -3.265 3.568 1.00 0.00 ATOM 65 CG LEU 7 -4.730 -3.123 2.048 1.00 0.00 ATOM 66 CD1 LEU 7 -4.224 -1.721 1.723 1.00 0.00 ATOM 67 CD2 LEU 7 -3.759 -4.170 1.523 1.00 0.00 ATOM 68 O LEU 7 -4.299 -5.075 6.185 1.00 0.00 ATOM 69 C LEU 7 -5.299 -4.584 5.649 1.00 0.00 ATOM 70 N ARG 8 -6.292 -4.032 6.339 1.00 0.00 ATOM 71 CA ARG 8 -6.268 -3.966 7.802 1.00 0.00 ATOM 72 CB ARG 8 -7.367 -3.029 8.306 1.00 0.00 ATOM 73 CG ARG 8 -7.510 -2.952 9.819 1.00 0.00 ATOM 74 CD ARG 8 -8.339 -4.114 10.340 1.00 0.00 ATOM 75 NE ARG 8 -9.428 -3.674 11.222 1.00 0.00 ATOM 76 CZ ARG 8 -10.455 -2.912 10.839 1.00 0.00 ATOM 77 NH1 ARG 8 -10.547 -2.492 9.576 1.00 0.00 ATOM 78 NH2 ARG 8 -11.396 -2.554 11.719 1.00 0.00 ATOM 79 O ARG 8 -5.612 -5.872 9.094 1.00 0.00 ATOM 80 C ARG 8 -6.464 -5.364 8.349 1.00 0.00 ATOM 81 N LYS 9 -7.604 -5.963 7.987 1.00 0.00 ATOM 82 CA LYS 9 -7.907 -7.338 8.392 1.00 0.00 ATOM 83 CB LYS 9 -9.287 -7.755 7.880 1.00 0.00 ATOM 84 CG LYS 9 -10.443 -7.037 8.557 1.00 0.00 ATOM 85 CD LYS 9 -10.525 -7.391 10.034 1.00 0.00 ATOM 86 CE LYS 9 -10.986 -8.827 10.230 1.00 0.00 ATOM 87 NZ LYS 9 -11.076 -9.187 11.672 1.00 0.00 ATOM 88 O LYS 9 -6.728 -9.411 8.430 1.00 0.00 ATOM 89 C LYS 9 -6.907 -8.344 7.854 1.00 0.00 ATOM 90 N ALA 10 -6.241 -8.005 6.758 1.00 0.00 ATOM 91 CA ALA 10 -5.224 -8.884 6.187 1.00 0.00 ATOM 92 CB ALA 10 -4.786 -8.374 4.822 1.00 0.00 ATOM 93 O ALA 10 -3.148 -9.895 6.886 1.00 0.00 ATOM 94 C ALA 10 -3.960 -8.989 7.058 1.00 0.00 ATOM 95 N GLN 11 -3.778 -8.051 7.984 1.00 0.00 ATOM 96 CA GLN 11 -2.538 -7.969 8.747 1.00 0.00 ATOM 97 CB GLN 11 -2.596 -6.807 9.740 1.00 0.00 ATOM 98 CG GLN 11 -1.312 -6.599 10.526 1.00 0.00 ATOM 99 CD GLN 11 -1.384 -5.399 11.452 1.00 0.00 ATOM 100 OE1 GLN 11 -2.407 -4.719 11.524 1.00 0.00 ATOM 101 NE2 GLN 11 -0.295 -5.138 12.164 1.00 0.00 ATOM 102 O GLN 11 -1.148 -9.677 9.681 1.00 0.00 ATOM 103 C GLN 11 -2.286 -9.244 9.530 1.00 0.00 ATOM 104 N ASP 12 -3.320 -9.871 10.036 1.00 0.00 ATOM 105 CA ASP 12 -3.237 -11.124 10.802 1.00 0.00 ATOM 106 CB ASP 12 -4.624 -11.745 10.968 1.00 0.00 ATOM 107 CG ASP 12 -5.499 -10.965 11.931 1.00 0.00 ATOM 108 OD1 ASP 12 -6.600 -11.454 12.262 1.00 0.00 ATOM 109 OD2 ASP 12 -5.083 -9.865 12.353 1.00 0.00 ATOM 110 O ASP 12 -1.673 -12.924 10.853 1.00 0.00 ATOM 111 C ASP 12 -2.347 -12.190 10.135 1.00 0.00 ATOM 112 N THR 13 -2.326 -12.280 8.796 1.00 0.00 ATOM 113 CA THR 13 -1.375 -13.146 8.074 1.00 0.00 ATOM 114 CB THR 13 -1.947 -14.560 7.865 1.00 0.00 ATOM 115 CG2 THR 13 -3.125 -14.522 6.904 1.00 0.00 ATOM 116 OG1 THR 13 -0.933 -15.412 7.321 1.00 0.00 ATOM 117 O THR 13 0.075 -13.133 6.164 1.00 0.00 ATOM 118 C THR 13 -0.959 -12.679 6.666 1.00 0.00 ATOM 119 N GLY 14 -1.687 -11.747 6.036 1.00 0.00 ATOM 120 CA GLY 14 -1.336 -11.137 4.754 1.00 0.00 ATOM 121 O GLY 14 -0.159 -9.421 5.968 1.00 0.00 ATOM 122 C GLY 14 -0.276 -10.040 4.912 1.00 0.00 ATOM 123 N LYS 15 0.524 -9.815 3.862 1.00 0.00 ATOM 124 CA LYS 15 1.789 -9.072 3.964 1.00 0.00 ATOM 125 CB LYS 15 2.825 -9.644 2.995 1.00 0.00 ATOM 126 CG LYS 15 3.256 -11.065 3.315 1.00 0.00 ATOM 127 CD LYS 15 4.295 -11.565 2.323 1.00 0.00 ATOM 128 CE LYS 15 4.726 -12.987 2.645 1.00 0.00 ATOM 129 NZ LYS 15 5.734 -13.493 1.672 1.00 0.00 ATOM 130 O LYS 15 0.969 -7.198 2.678 1.00 0.00 ATOM 131 C LYS 15 1.641 -7.587 3.635 1.00 0.00 ATOM 132 N ILE 16 2.331 -6.800 4.465 1.00 0.00 ATOM 133 CA ILE 16 2.171 -5.347 4.459 1.00 0.00 ATOM 134 CB ILE 16 1.747 -4.820 5.844 1.00 0.00 ATOM 135 CG1 ILE 16 0.398 -5.418 6.249 1.00 0.00 ATOM 136 CG2 ILE 16 1.614 -3.305 5.818 1.00 0.00 ATOM 137 CD1 ILE 16 0.022 -5.153 7.692 1.00 0.00 ATOM 138 O ILE 16 4.575 -5.202 4.469 1.00 0.00 ATOM 139 C ILE 16 3.517 -4.714 4.073 1.00 0.00 ATOM 140 N VAL 17 3.467 -3.661 3.264 1.00 0.00 ATOM 141 CA VAL 17 4.648 -2.940 2.791 1.00 0.00 ATOM 142 CB VAL 17 4.738 -2.949 1.254 1.00 0.00 ATOM 143 CG1 VAL 17 5.945 -2.152 0.786 1.00 0.00 ATOM 144 CG2 VAL 17 4.873 -4.374 0.737 1.00 0.00 ATOM 145 O VAL 17 3.552 -0.852 3.112 1.00 0.00 ATOM 146 C VAL 17 4.573 -1.509 3.262 1.00 0.00 ATOM 147 N MET 18 5.651 -1.008 3.825 1.00 0.00 ATOM 148 CA MET 18 5.655 0.362 4.288 1.00 0.00 ATOM 149 CB MET 18 5.299 0.425 5.774 1.00 0.00 ATOM 150 CG MET 18 6.295 -0.279 6.682 1.00 0.00 ATOM 151 SD MET 18 6.185 -2.074 6.576 1.00 0.00 ATOM 152 CE MET 18 4.593 -2.363 7.346 1.00 0.00 ATOM 153 O MET 18 8.051 0.299 4.033 1.00 0.00 ATOM 154 C MET 18 7.038 0.992 4.096 1.00 0.00 ATOM 155 N GLY 19 7.063 2.322 4.014 1.00 0.00 ATOM 156 CA GLY 19 8.311 3.042 3.909 1.00 0.00 ATOM 157 O GLY 19 7.921 2.323 1.647 1.00 0.00 ATOM 158 C GLY 19 8.540 3.083 2.402 1.00 0.00 ATOM 159 N ALA 20 9.415 3.968 1.947 1.00 0.00 ATOM 160 CA ALA 20 9.713 4.111 0.506 1.00 0.00 ATOM 161 CB ALA 20 10.651 5.285 0.272 1.00 0.00 ATOM 162 O ALA 20 9.813 2.096 -0.833 1.00 0.00 ATOM 163 C ALA 20 10.377 2.858 -0.040 1.00 0.00 ATOM 164 N ARG 21 11.612 2.700 0.433 1.00 0.00 ATOM 165 CA ARG 21 12.534 1.610 0.122 1.00 0.00 ATOM 166 CB ARG 21 13.521 1.399 1.271 1.00 0.00 ATOM 167 CG ARG 21 14.595 0.362 0.983 1.00 0.00 ATOM 168 CD ARG 21 15.585 0.259 2.134 1.00 0.00 ATOM 169 NE ARG 21 16.618 -0.743 1.879 1.00 0.00 ATOM 170 CZ ARG 21 17.568 -1.074 2.747 1.00 0.00 ATOM 171 NH1 ARG 21 18.465 -1.997 2.427 1.00 0.00 ATOM 172 NH2 ARG 21 17.619 -0.482 3.933 1.00 0.00 ATOM 173 O ARG 21 11.836 -0.259 -1.236 1.00 0.00 ATOM 174 C ARG 21 11.842 0.258 -0.117 1.00 0.00 ATOM 175 N LYS 22 11.229 -0.328 0.892 1.00 0.00 ATOM 176 CA LYS 22 10.608 -1.612 0.748 1.00 0.00 ATOM 177 CB LYS 22 10.413 -2.153 2.164 1.00 0.00 ATOM 178 CG LYS 22 11.741 -2.435 2.857 1.00 0.00 ATOM 179 CD LYS 22 11.560 -3.344 4.066 1.00 0.00 ATOM 180 CE LYS 22 10.747 -2.635 5.114 1.00 0.00 ATOM 181 NZ LYS 22 10.661 -3.419 6.365 1.00 0.00 ATOM 182 O LYS 22 8.733 -2.641 -0.351 1.00 0.00 ATOM 183 C LYS 22 9.295 -1.587 -0.020 1.00 0.00 ATOM 184 N SER 23 8.790 -0.392 -0.347 1.00 0.00 ATOM 185 CA SER 23 7.632 -0.341 -1.223 1.00 0.00 ATOM 186 CB SER 23 6.957 1.031 -1.137 1.00 0.00 ATOM 187 OG SER 23 6.447 1.267 0.164 1.00 0.00 ATOM 188 O SER 23 7.541 -1.401 -3.351 1.00 0.00 ATOM 189 C SER 23 8.117 -0.587 -2.621 1.00 0.00 ATOM 190 N ILE 24 9.197 0.087 -2.969 1.00 0.00 ATOM 191 CA ILE 24 9.798 -0.085 -4.325 1.00 0.00 ATOM 192 CB ILE 24 10.976 0.943 -4.552 1.00 0.00 ATOM 193 CG1 ILE 24 10.389 2.392 -4.444 1.00 0.00 ATOM 194 CG2 ILE 24 11.619 0.770 -5.969 1.00 0.00 ATOM 195 CD1 ILE 24 11.518 3.487 -4.537 1.00 0.00 ATOM 196 O ILE 24 10.005 -2.115 -5.585 1.00 0.00 ATOM 197 C ILE 24 10.286 -1.512 -4.525 1.00 0.00 ATOM 198 N GLN 25 11.092 -2.003 -3.607 1.00 0.00 ATOM 199 CA GLN 25 11.682 -3.349 -3.681 1.00 0.00 ATOM 200 CB GLN 25 12.451 -3.697 -2.378 1.00 0.00 ATOM 201 CG GLN 25 13.864 -3.119 -2.276 1.00 0.00 ATOM 202 CD GLN 25 14.529 -3.488 -0.948 1.00 0.00 ATOM 203 OE1 GLN 25 14.999 -4.630 -0.802 1.00 0.00 ATOM 204 NE2 GLN 25 14.596 -2.599 0.049 1.00 0.00 ATOM 205 O GLN 25 10.665 -5.335 -4.869 1.00 0.00 ATOM 206 C GLN 25 10.672 -4.456 -4.008 1.00 0.00 ATOM 207 N TYR 26 9.625 -4.406 -3.120 1.00 0.00 ATOM 208 CA TYR 26 8.506 -5.342 -3.154 1.00 0.00 ATOM 209 CB TYR 26 7.710 -5.278 -1.849 1.00 0.00 ATOM 210 CG TYR 26 8.520 -5.835 -0.682 1.00 0.00 ATOM 211 CD1 TYR 26 9.252 -7.045 -0.792 1.00 0.00 ATOM 212 CD2 TYR 26 8.554 -5.164 0.534 1.00 0.00 ATOM 213 CE1 TYR 26 10.004 -7.523 0.300 1.00 0.00 ATOM 214 CE2 TYR 26 9.300 -5.651 1.616 1.00 0.00 ATOM 215 CZ TYR 26 10.002 -6.834 1.473 1.00 0.00 ATOM 216 OH TYR 26 10.713 -7.277 2.611 1.00 0.00 ATOM 217 O TYR 26 7.081 -6.044 -4.927 1.00 0.00 ATOM 218 C TYR 26 7.626 -5.092 -4.372 1.00 0.00 ATOM 219 N ALA 27 7.451 -3.860 -4.815 1.00 0.00 ATOM 220 CA ALA 27 6.688 -3.625 -6.022 1.00 0.00 ATOM 221 CB ALA 27 6.467 -2.133 -6.227 1.00 0.00 ATOM 222 O ALA 27 6.930 -4.971 -7.981 1.00 0.00 ATOM 223 C ALA 27 7.466 -4.189 -7.194 1.00 0.00 ATOM 224 N LYS 28 8.742 -3.767 -7.257 1.00 0.00 ATOM 225 CA LYS 28 9.648 -4.211 -8.302 1.00 0.00 ATOM 226 CB LYS 28 11.035 -3.609 -8.080 1.00 0.00 ATOM 227 CG LYS 28 12.076 -4.087 -9.076 1.00 0.00 ATOM 228 CD LYS 28 12.884 -2.920 -9.605 1.00 0.00 ATOM 229 CE LYS 28 12.062 -2.065 -10.549 1.00 0.00 ATOM 230 NZ LYS 28 11.868 -2.740 -11.864 1.00 0.00 ATOM 231 O LYS 28 9.694 -6.310 -9.461 1.00 0.00 ATOM 232 C LYS 28 9.758 -5.732 -8.376 1.00 0.00 ATOM 233 N MET 29 9.906 -6.374 -7.212 1.00 0.00 ATOM 234 CA MET 29 10.052 -7.821 -7.212 1.00 0.00 ATOM 235 CB MET 29 10.550 -8.309 -5.850 1.00 0.00 ATOM 236 CG MET 29 11.949 -7.834 -5.494 1.00 0.00 ATOM 237 SD MET 29 13.199 -8.421 -6.652 1.00 0.00 ATOM 238 CE MET 29 13.191 -10.177 -6.297 1.00 0.00 ATOM 239 O MET 29 7.991 -8.030 -8.420 1.00 0.00 ATOM 240 C MET 29 8.696 -8.458 -7.507 1.00 0.00 ATOM 241 N GLY 30 8.330 -9.473 -6.749 1.00 0.00 ATOM 242 CA GLY 30 7.071 -10.131 -7.009 1.00 0.00 ATOM 243 O GLY 30 5.819 -8.077 -7.370 1.00 0.00 ATOM 244 C GLY 30 5.808 -9.285 -7.076 1.00 0.00 ATOM 245 N GLY 31 4.714 -9.988 -6.754 1.00 0.00 ATOM 246 CA GLY 31 3.391 -9.398 -6.781 1.00 0.00 ATOM 247 O GLY 31 3.856 -8.155 -4.791 1.00 0.00 ATOM 248 C GLY 31 3.233 -8.215 -5.850 1.00 0.00 ATOM 249 N ALA 32 2.405 -7.261 -6.268 1.00 0.00 ATOM 250 CA ALA 32 2.119 -6.070 -5.476 1.00 0.00 ATOM 251 CB ALA 32 2.622 -4.825 -6.190 1.00 0.00 ATOM 252 O ALA 32 -0.087 -5.264 -5.995 1.00 0.00 ATOM 253 C ALA 32 0.602 -6.027 -5.318 1.00 0.00 ATOM 254 N LYS 33 -1.030 -5.983 -4.096 1.00 0.00 ATOM 255 CA LYS 33 -2.389 -5.590 -4.472 1.00 0.00 ATOM 256 CB LYS 33 -3.405 -6.162 -3.481 1.00 0.00 ATOM 257 CG LYS 33 -4.855 -5.881 -3.846 1.00 0.00 ATOM 258 CD LYS 33 -5.808 -6.524 -2.853 1.00 0.00 ATOM 259 CE LYS 33 -7.256 -6.231 -3.208 1.00 0.00 ATOM 260 NZ LYS 33 -8.203 -6.865 -2.250 1.00 0.00 ATOM 261 O LYS 33 -3.063 -3.597 -5.592 1.00 0.00 ATOM 262 C LYS 33 -2.726 -4.105 -4.535 1.00 0.00 ATOM 263 N LEU 34 -2.647 -3.403 -3.413 1.00 0.00 ATOM 264 CA LEU 34 -2.971 -1.994 -3.439 1.00 0.00 ATOM 265 CB LEU 34 -4.239 -1.722 -2.627 1.00 0.00 ATOM 266 CG LEU 34 -4.689 -0.261 -2.543 1.00 0.00 ATOM 267 CD1 LEU 34 -5.051 0.270 -3.923 1.00 0.00 ATOM 268 CD2 LEU 34 -5.910 -0.124 -1.647 1.00 0.00 ATOM 269 O LEU 34 -1.322 -1.390 -1.770 1.00 0.00 ATOM 270 C LEU 34 -1.856 -1.133 -2.852 1.00 0.00 ATOM 271 N ILE 35 -1.511 -0.096 -3.595 1.00 0.00 ATOM 272 CA ILE 35 -0.477 0.811 -3.172 1.00 0.00 ATOM 273 CB ILE 35 0.299 1.382 -4.372 1.00 0.00 ATOM 274 CG1 ILE 35 0.985 0.255 -5.149 1.00 0.00 ATOM 275 CG2 ILE 35 1.366 2.359 -3.901 1.00 0.00 ATOM 276 CD1 ILE 35 1.562 0.692 -6.476 1.00 0.00 ATOM 277 O ILE 35 -2.205 2.433 -2.946 1.00 0.00 ATOM 278 C ILE 35 -1.214 1.891 -2.441 1.00 0.00 ATOM 279 N ILE 36 -0.768 2.209 -1.254 1.00 0.00 ATOM 280 CA ILE 36 -1.381 3.249 -0.430 1.00 0.00 ATOM 281 CB ILE 36 -1.481 2.814 1.044 1.00 0.00 ATOM 282 CG1 ILE 36 -2.337 1.553 1.172 1.00 0.00 ATOM 283 CG2 ILE 36 -2.114 3.914 1.882 1.00 0.00 ATOM 284 CD1 ILE 36 -3.760 1.729 0.688 1.00 0.00 ATOM 285 O ILE 36 0.701 4.424 -0.326 1.00 0.00 ATOM 286 C ILE 36 -0.513 4.497 -0.529 1.00 0.00 ATOM 287 N VAL 37 -1.146 5.644 -0.771 1.00 0.00 ATOM 288 CA VAL 37 -0.486 6.942 -0.702 1.00 0.00 ATOM 289 CB VAL 37 -0.455 7.633 -2.080 1.00 0.00 ATOM 290 CG1 VAL 37 0.287 8.959 -1.994 1.00 0.00 ATOM 291 CG2 VAL 37 0.251 6.754 -3.100 1.00 0.00 ATOM 292 O VAL 37 -2.251 8.465 -0.080 1.00 0.00 ATOM 293 C VAL 37 -1.270 7.810 0.285 1.00 0.00 ATOM 294 N ALA 38 -0.870 7.779 1.563 1.00 0.00 ATOM 295 CA ALA 38 -1.445 8.617 2.610 1.00 0.00 ATOM 296 CB ALA 38 -1.393 7.900 3.950 1.00 0.00 ATOM 297 O ALA 38 0.042 10.177 3.722 1.00 0.00 ATOM 298 C ALA 38 -0.685 9.942 2.752 1.00 0.00 ATOM 299 N ARG 39 -0.863 10.793 1.740 1.00 0.00 ATOM 300 CA ARG 39 -0.490 12.201 1.707 1.00 0.00 ATOM 301 CB ARG 39 1.006 12.355 1.427 1.00 0.00 ATOM 302 CG ARG 39 1.437 11.840 0.063 1.00 0.00 ATOM 303 CD ARG 39 2.938 11.981 -0.131 1.00 0.00 ATOM 304 NE ARG 39 3.373 11.466 -1.426 1.00 0.00 ATOM 305 CZ ARG 39 4.634 11.478 -1.850 1.00 0.00 ATOM 306 NH1 ARG 39 4.936 10.986 -3.045 1.00 0.00 ATOM 307 NH2 ARG 39 5.587 11.980 -1.079 1.00 0.00 ATOM 308 O ARG 39 -1.541 12.306 -0.452 1.00 0.00 ATOM 309 C ARG 39 -1.283 12.912 0.598 1.00 0.00 ATOM 310 N ASN 40 -1.603 14.199 0.780 1.00 0.00 ATOM 311 CA ASN 40 -2.184 15.062 -0.256 1.00 0.00 ATOM 312 CB ASN 40 -2.695 16.367 0.359 1.00 0.00 ATOM 313 CG ASN 40 -3.469 17.214 -0.632 1.00 0.00 ATOM 314 ND2 ASN 40 -3.655 16.690 -1.838 1.00 0.00 ATOM 315 OD1 ASN 40 -3.894 18.325 -0.315 1.00 0.00 ATOM 316 O ASN 40 -0.616 16.522 -1.411 1.00 0.00 ATOM 317 C ASN 40 -1.135 15.409 -1.329 1.00 0.00 ATOM 318 N ALA 41 -0.832 14.346 -2.116 1.00 0.00 ATOM 319 CA ALA 41 0.419 14.229 -2.844 1.00 0.00 ATOM 320 CB ALA 41 0.643 12.781 -3.266 1.00 0.00 ATOM 321 O ALA 41 -0.650 14.993 -4.859 1.00 0.00 ATOM 322 C ALA 41 0.351 15.067 -4.116 1.00 0.00 ATOM 323 N ARG 42 1.403 15.845 -4.421 1.00 0.00 ATOM 324 CA ARG 42 1.468 16.649 -5.640 1.00 0.00 ATOM 325 CB ARG 42 2.694 17.564 -5.614 1.00 0.00 ATOM 326 CG ARG 42 2.636 18.647 -4.549 1.00 0.00 ATOM 327 CD ARG 42 3.894 19.503 -4.565 1.00 0.00 ATOM 328 NE ARG 42 3.862 20.539 -3.536 1.00 0.00 ATOM 329 CZ ARG 42 4.871 21.363 -3.272 1.00 0.00 ATOM 330 NH1 ARG 42 4.752 22.274 -2.318 1.00 0.00 ATOM 331 NH2 ARG 42 5.997 21.274 -3.968 1.00 0.00 ATOM 332 O ARG 42 2.096 14.668 -6.881 1.00 0.00 ATOM 333 C ARG 42 1.566 15.780 -6.902 1.00 0.00 ATOM 334 N PRO 43 1.076 16.332 -8.020 1.00 0.00 ATOM 335 CA PRO 43 0.769 15.612 -9.267 1.00 0.00 ATOM 336 CB PRO 43 0.445 16.726 -10.267 1.00 0.00 ATOM 337 CG PRO 43 -0.125 17.822 -9.431 1.00 0.00 ATOM 338 CD PRO 43 0.652 17.815 -8.145 1.00 0.00 ATOM 339 O PRO 43 1.727 13.596 -10.111 1.00 0.00 ATOM 340 C PRO 43 1.933 14.759 -9.771 1.00 0.00 ATOM 341 N ASP 44 3.158 15.295 -9.809 1.00 0.00 ATOM 342 CA ASP 44 4.331 14.563 -10.277 1.00 0.00 ATOM 343 CB ASP 44 5.532 15.520 -10.293 1.00 0.00 ATOM 344 CG ASP 44 6.724 14.984 -11.067 1.00 0.00 ATOM 345 OD1 ASP 44 6.647 13.867 -11.620 1.00 0.00 ATOM 346 OD2 ASP 44 7.744 15.706 -11.132 1.00 0.00 ATOM 347 O ASP 44 4.817 12.250 -9.823 1.00 0.00 ATOM 348 C ASP 44 4.602 13.370 -9.351 1.00 0.00 ATOM 349 N ILE 45 4.516 13.592 -8.031 1.00 0.00 ATOM 350 CA ILE 45 4.720 12.527 -7.066 1.00 0.00 ATOM 351 CB ILE 45 4.750 13.073 -5.609 1.00 0.00 ATOM 352 CG1 ILE 45 5.911 14.059 -5.459 1.00 0.00 ATOM 353 CG2 ILE 45 4.940 11.880 -4.590 1.00 0.00 ATOM 354 CD1 ILE 45 5.934 14.792 -4.121 1.00 0.00 ATOM 355 O ILE 45 3.932 10.258 -7.300 1.00 0.00 ATOM 356 C ILE 45 3.625 11.450 -7.237 1.00 0.00 ATOM 357 N LYS 46 2.367 11.873 -7.365 1.00 0.00 ATOM 358 CA LYS 46 1.262 10.927 -7.578 1.00 0.00 ATOM 359 CB LYS 46 -0.088 11.647 -7.632 1.00 0.00 ATOM 360 CG LYS 46 -0.500 12.261 -6.279 1.00 0.00 ATOM 361 CD LYS 46 -2.001 12.549 -6.172 1.00 0.00 ATOM 362 CE LYS 46 -2.480 13.499 -7.251 1.00 0.00 ATOM 363 NZ LYS 46 -3.906 13.927 -7.016 1.00 0.00 ATOM 364 O LYS 46 1.246 8.884 -8.906 1.00 0.00 ATOM 365 C LYS 46 1.457 10.115 -8.873 1.00 0.00 ATOM 366 N GLU 47 1.935 10.818 -9.902 1.00 0.00 ATOM 367 CA GLU 47 2.152 10.144 -11.203 1.00 0.00 ATOM 368 CB GLU 47 2.733 11.162 -12.226 1.00 0.00 ATOM 369 CG GLU 47 2.936 10.587 -13.639 1.00 0.00 ATOM 370 CD GLU 47 1.661 10.030 -14.249 1.00 0.00 ATOM 371 OE1 GLU 47 0.541 10.415 -13.870 1.00 0.00 ATOM 372 OE2 GLU 47 1.782 9.178 -15.125 1.00 0.00 ATOM 373 O GLU 47 2.810 7.852 -11.622 1.00 0.00 ATOM 374 C GLU 47 3.075 8.932 -11.065 1.00 0.00 ATOM 375 N ASP 48 4.177 9.109 -10.339 1.00 0.00 ATOM 376 CA ASP 48 5.121 8.013 -10.175 1.00 0.00 ATOM 377 CB ASP 48 6.375 8.477 -9.485 1.00 0.00 ATOM 378 CG ASP 48 7.363 9.267 -10.199 1.00 0.00 ATOM 379 OD1 ASP 48 7.170 9.330 -11.427 1.00 0.00 ATOM 380 OD2 ASP 48 8.320 9.770 -9.582 1.00 0.00 ATOM 381 O ASP 48 4.642 5.695 -9.676 1.00 0.00 ATOM 382 C ASP 48 4.454 6.865 -9.370 1.00 0.00 ATOM 383 N ILE 49 3.699 7.234 -8.330 1.00 0.00 ATOM 384 CA ILE 49 2.996 6.256 -7.535 1.00 0.00 ATOM 385 CB ILE 49 2.266 7.008 -6.438 1.00 0.00 ATOM 386 CG1 ILE 49 3.273 7.337 -5.339 1.00 0.00 ATOM 387 CG2 ILE 49 1.123 6.170 -5.885 1.00 0.00 ATOM 388 CD1 ILE 49 2.708 8.338 -4.332 1.00 0.00 ATOM 389 O ILE 49 1.903 4.284 -8.364 1.00 0.00 ATOM 390 C ILE 49 2.013 5.511 -8.417 1.00 0.00 ATOM 391 N GLU 50 1.293 6.258 -9.250 1.00 0.00 ATOM 392 CA GLU 50 0.332 5.622 -10.119 1.00 0.00 ATOM 393 CB GLU 50 -0.551 6.673 -10.785 1.00 0.00 ATOM 394 CG GLU 50 -1.805 6.081 -11.444 1.00 0.00 ATOM 395 CD GLU 50 -2.563 7.183 -12.120 1.00 0.00 ATOM 396 OE1 GLU 50 -2.286 8.365 -11.980 1.00 0.00 ATOM 397 OE2 GLU 50 -3.543 6.760 -12.880 1.00 0.00 ATOM 398 O GLU 50 0.563 3.500 -11.242 1.00 0.00 ATOM 399 C GLU 50 0.972 4.656 -11.109 1.00 0.00 ATOM 400 N TYR 51 2.013 5.097 -11.801 1.00 0.00 ATOM 401 CA TYR 51 2.745 4.326 -12.770 1.00 0.00 ATOM 402 CB TYR 51 3.680 5.278 -13.608 1.00 0.00 ATOM 403 CG TYR 51 4.496 4.656 -14.743 1.00 0.00 ATOM 404 CD1 TYR 51 3.918 4.406 -15.986 1.00 0.00 ATOM 405 CD2 TYR 51 5.875 4.485 -14.632 1.00 0.00 ATOM 406 CE1 TYR 51 4.681 3.970 -17.065 1.00 0.00 ATOM 407 CE2 TYR 51 6.685 4.175 -15.734 1.00 0.00 ATOM 408 CZ TYR 51 6.067 3.859 -16.938 1.00 0.00 ATOM 409 OH TYR 51 6.822 3.467 -17.997 1.00 0.00 ATOM 410 O TYR 51 3.316 1.968 -12.665 1.00 0.00 ATOM 411 C TYR 51 3.443 3.082 -12.151 1.00 0.00 ATOM 412 N TYR 52 4.125 3.284 -11.006 1.00 0.00 ATOM 413 CA TYR 52 4.772 2.204 -10.297 1.00 0.00 ATOM 414 CB TYR 52 5.508 2.699 -9.058 1.00 0.00 ATOM 415 CG TYR 52 6.753 3.545 -9.346 1.00 0.00 ATOM 416 CD1 TYR 52 7.411 3.433 -10.568 1.00 0.00 ATOM 417 CD2 TYR 52 7.241 4.389 -8.375 1.00 0.00 ATOM 418 CE1 TYR 52 8.543 4.153 -10.824 1.00 0.00 ATOM 419 CE2 TYR 52 8.381 5.125 -8.620 1.00 0.00 ATOM 420 CZ TYR 52 9.008 4.989 -9.842 1.00 0.00 ATOM 421 OH TYR 52 10.171 5.642 -10.109 1.00 0.00 ATOM 422 O TYR 52 3.948 0.023 -10.130 1.00 0.00 ATOM 423 C TYR 52 3.737 1.200 -9.868 1.00 0.00 ATOM 424 N ALA 53 2.609 1.636 -9.296 1.00 0.00 ATOM 425 CA ALA 53 1.563 0.711 -8.888 1.00 0.00 ATOM 426 CB ALA 53 0.518 1.432 -8.049 1.00 0.00 ATOM 427 O ALA 53 0.518 -1.073 -10.072 1.00 0.00 ATOM 428 C ALA 53 0.865 0.105 -10.094 1.00 0.00 ATOM 429 N ARG 54 0.702 0.892 -11.162 1.00 0.00 ATOM 430 CA ARG 54 0.042 0.409 -12.366 1.00 0.00 ATOM 431 CB ARG 54 -0.410 1.584 -13.242 1.00 0.00 ATOM 432 CG ARG 54 -0.607 1.213 -14.710 1.00 0.00 ATOM 433 CD ARG 54 -1.535 2.177 -15.433 1.00 0.00 ATOM 434 NE ARG 54 -0.826 3.361 -15.912 1.00 0.00 ATOM 435 CZ ARG 54 0.205 3.333 -16.750 1.00 0.00 ATOM 436 NH1 ARG 54 0.666 2.178 -17.216 1.00 0.00 ATOM 437 NH2 ARG 54 0.780 4.467 -17.124 1.00 0.00 ATOM 438 O ARG 54 0.594 -1.542 -13.653 1.00 0.00 ATOM 439 C ARG 54 0.987 -0.482 -13.165 1.00 0.00 ATOM 440 N LEU 55 2.233 -0.045 -13.296 1.00 0.00 ATOM 441 CA LEU 55 3.230 -0.811 -14.048 1.00 0.00 ATOM 442 CB LEU 55 4.578 -0.064 -14.061 1.00 0.00 ATOM 443 CG LEU 55 5.845 -0.823 -14.483 1.00 0.00 ATOM 444 CD1 LEU 55 5.852 -1.345 -15.896 1.00 0.00 ATOM 445 CD2 LEU 55 7.142 -0.014 -14.243 1.00 0.00 ATOM 446 O LEU 55 3.331 -3.251 -14.026 1.00 0.00 ATOM 447 C LEU 55 3.374 -2.189 -13.362 1.00 0.00 ATOM 448 N SER 56 3.556 -2.197 -12.048 1.00 0.00 ATOM 449 CA SER 56 3.763 -3.447 -11.332 1.00 0.00 ATOM 450 CB SER 56 4.222 -3.174 -9.900 1.00 0.00 ATOM 451 OG SER 56 4.396 -4.387 -9.190 1.00 0.00 ATOM 452 O SER 56 2.511 -5.494 -11.312 1.00 0.00 ATOM 453 C SER 56 2.475 -4.264 -11.309 1.00 0.00 ATOM 454 N GLY 57 1.112 -4.275 -11.828 1.00 0.00 ATOM 455 CA GLY 57 -0.340 -4.422 -12.040 1.00 0.00 ATOM 456 O GLY 57 -1.497 -5.135 -10.053 1.00 0.00 ATOM 457 C GLY 57 -1.073 -4.196 -10.724 1.00 0.00 ATOM 458 N ILE 58 -1.156 -2.919 -10.351 1.00 0.00 ATOM 459 CA ILE 58 -1.318 -2.482 -8.964 1.00 0.00 ATOM 460 CB ILE 58 -0.022 -1.856 -8.416 1.00 0.00 ATOM 461 CG1 ILE 58 1.119 -2.875 -8.448 1.00 0.00 ATOM 462 CG2 ILE 58 -0.219 -1.398 -6.978 1.00 0.00 ATOM 463 CD1 ILE 58 2.479 -2.278 -8.161 1.00 0.00 ATOM 464 O ILE 58 -2.459 -0.472 -9.599 1.00 0.00 ATOM 465 C ILE 58 -2.424 -1.436 -8.839 1.00 0.00 ATOM 466 N PRO 59 -3.311 -1.597 -7.849 1.00 0.00 ATOM 467 CA PRO 59 -4.351 -0.609 -7.530 1.00 0.00 ATOM 468 CB PRO 59 -5.388 -1.405 -6.733 1.00 0.00 ATOM 469 CG PRO 59 -5.022 -2.832 -6.968 1.00 0.00 ATOM 470 CD PRO 59 -3.520 -2.878 -6.999 1.00 0.00 ATOM 471 O PRO 59 -2.857 0.337 -5.914 1.00 0.00 ATOM 472 C PRO 59 -3.772 0.546 -6.704 1.00 0.00 ATOM 473 N VAL 60 -4.336 1.748 -6.843 1.00 0.00 ATOM 474 CA VAL 60 -3.895 2.958 -6.136 1.00 0.00 ATOM 475 CB VAL 60 -3.619 4.115 -7.116 1.00 0.00 ATOM 476 CG1 VAL 60 -3.220 5.371 -6.358 1.00 0.00 ATOM 477 CG2 VAL 60 -2.490 3.748 -8.069 1.00 0.00 ATOM 478 O VAL 60 -6.129 3.577 -5.537 1.00 0.00 ATOM 479 C VAL 60 -4.971 3.417 -5.154 1.00 0.00 ATOM 480 N TYR 61 -4.583 3.646 -3.894 1.00 0.00 ATOM 481 CA TYR 61 -5.461 4.142 -2.837 1.00 0.00 ATOM 482 CB TYR 61 -5.628 3.090 -1.741 1.00 0.00 ATOM 483 CG TYR 61 -6.577 3.497 -0.637 1.00 0.00 ATOM 484 CD1 TYR 61 -7.952 3.438 -0.822 1.00 0.00 ATOM 485 CD2 TYR 61 -6.093 3.942 0.587 1.00 0.00 ATOM 486 CE1 TYR 61 -8.827 3.811 0.181 1.00 0.00 ATOM 487 CE2 TYR 61 -6.953 4.319 1.602 1.00 0.00 ATOM 488 CZ TYR 61 -8.330 4.248 1.390 1.00 0.00 ATOM 489 OH TYR 61 -9.198 4.620 2.390 1.00 0.00 ATOM 490 O TYR 61 -3.942 5.373 -1.397 1.00 0.00 ATOM 491 C TYR 61 -4.887 5.418 -2.193 1.00 0.00 ATOM 492 N GLU 62 -5.466 6.566 -2.552 1.00 0.00 ATOM 493 CA GLU 62 -5.130 7.881 -2.005 1.00 0.00 ATOM 494 CB GLU 62 -5.608 8.991 -2.942 1.00 0.00 ATOM 495 CG GLU 62 -4.918 8.999 -4.297 1.00 0.00 ATOM 496 CD GLU 62 -3.421 9.212 -4.188 1.00 0.00 ATOM 497 OE1 GLU 62 -3.007 10.183 -3.519 1.00 0.00 ATOM 498 OE2 GLU 62 -2.662 8.411 -4.771 1.00 0.00 ATOM 499 O GLU 62 -6.873 8.679 -0.524 1.00 0.00 ATOM 500 C GLU 62 -5.792 8.097 -0.633 1.00 0.00 ATOM 501 N PHE 63 -5.114 7.675 0.437 1.00 0.00 ATOM 502 CA PHE 63 -5.518 7.891 1.838 1.00 0.00 ATOM 503 CB PHE 63 -4.815 6.889 2.759 1.00 0.00 ATOM 504 CG PHE 63 -5.347 6.881 4.163 1.00 0.00 ATOM 505 CD1 PHE 63 -6.535 6.238 4.463 1.00 0.00 ATOM 506 CD2 PHE 63 -4.660 7.515 5.183 1.00 0.00 ATOM 507 CE1 PHE 63 -7.025 6.229 5.757 1.00 0.00 ATOM 508 CE2 PHE 63 -5.148 7.506 6.476 1.00 0.00 ATOM 509 CZ PHE 63 -6.326 6.867 6.765 1.00 0.00 ATOM 510 O PHE 63 -4.491 9.564 3.277 1.00 0.00 ATOM 511 C PHE 63 -5.127 9.329 2.252 1.00 0.00 ATOM 512 N GLU 64 -5.435 10.308 1.396 1.00 0.00 ATOM 513 CA GLU 64 -4.710 11.581 1.316 1.00 0.00 ATOM 514 CB GLU 64 -5.061 12.317 0.022 1.00 0.00 ATOM 515 CG GLU 64 -4.564 11.630 -1.239 1.00 0.00 ATOM 516 CD GLU 64 -4.977 12.358 -2.503 1.00 0.00 ATOM 517 OE1 GLU 64 -5.696 13.373 -2.394 1.00 0.00 ATOM 518 OE2 GLU 64 -4.582 11.913 -3.601 1.00 0.00 ATOM 519 O GLU 64 -4.368 13.646 2.482 1.00 0.00 ATOM 520 C GLU 64 -4.988 12.583 2.451 1.00 0.00 ATOM 521 N GLY 65 -5.890 12.249 3.382 1.00 0.00 ATOM 522 CA GLY 65 -6.137 12.997 4.611 1.00 0.00 ATOM 523 O GLY 65 -4.366 12.166 5.982 1.00 0.00 ATOM 524 C GLY 65 -4.855 13.150 5.430 1.00 0.00 ATOM 525 N THR 66 -4.315 14.378 5.489 1.00 0.00 ATOM 526 CA THR 66 -2.990 14.731 6.020 1.00 0.00 ATOM 527 CB THR 66 -2.877 16.242 6.292 1.00 0.00 ATOM 528 CG2 THR 66 -1.503 16.582 6.849 1.00 0.00 ATOM 529 OG1 THR 66 -3.074 16.967 5.073 1.00 0.00 ATOM 530 O THR 66 -1.428 13.723 7.514 1.00 0.00 ATOM 531 C THR 66 -2.597 14.060 7.339 1.00 0.00 ATOM 532 N SER 67 -3.573 13.792 8.218 1.00 0.00 ATOM 533 CA SER 67 -3.484 12.950 9.413 1.00 0.00 ATOM 534 CB SER 67 -4.876 12.481 9.841 1.00 0.00 ATOM 535 OG SER 67 -5.699 13.579 10.193 1.00 0.00 ATOM 536 O SER 67 -1.865 11.319 10.114 1.00 0.00 ATOM 537 C SER 67 -2.630 11.684 9.219 1.00 0.00 ATOM 538 N VAL 68 -2.807 11.008 8.074 1.00 0.00 ATOM 539 CA VAL 68 -2.304 9.685 7.710 1.00 0.00 ATOM 540 CB VAL 68 -0.854 9.753 7.195 1.00 0.00 ATOM 541 CG1 VAL 68 -0.788 10.532 5.890 1.00 0.00 ATOM 542 CG2 VAL 68 0.041 10.445 8.211 1.00 0.00 ATOM 543 O VAL 68 -1.240 8.207 9.328 1.00 0.00 ATOM 544 C VAL 68 -2.291 8.675 8.876 1.00 0.00 ATOM 545 N GLU 69 -3.483 8.300 9.362 1.00 0.00 ATOM 546 CA GLU 69 -3.658 7.328 10.453 1.00 0.00 ATOM 547 CB GLU 69 -5.142 7.147 10.776 1.00 0.00 ATOM 548 CG GLU 69 -5.797 8.374 11.390 1.00 0.00 ATOM 549 CD GLU 69 -7.277 8.175 11.649 1.00 0.00 ATOM 550 OE1 GLU 69 -7.803 7.098 11.300 1.00 0.00 ATOM 551 OE2 GLU 69 -7.912 9.099 12.201 1.00 0.00 ATOM 552 O GLU 69 -2.841 5.151 11.054 1.00 0.00 ATOM 553 C GLU 69 -3.101 5.927 10.132 1.00 0.00 ATOM 554 N LEU 70 -2.824 5.654 8.847 1.00 0.00 ATOM 555 CA LEU 70 -2.123 4.477 8.327 1.00 0.00 ATOM 556 CB LEU 70 -1.757 4.677 6.854 1.00 0.00 ATOM 557 CG LEU 70 -2.921 4.685 5.862 1.00 0.00 ATOM 558 CD1 LEU 70 -2.431 5.019 4.461 1.00 0.00 ATOM 559 CD2 LEU 70 -3.598 3.323 5.817 1.00 0.00 ATOM 560 O LEU 70 -0.443 2.992 9.169 1.00 0.00 ATOM 561 C LEU 70 -0.816 4.156 9.066 1.00 0.00 ATOM 562 N GLY 71 -0.129 5.166 9.620 1.00 0.00 ATOM 563 CA GLY 71 1.057 4.947 10.451 1.00 0.00 ATOM 564 O GLY 71 1.767 3.469 12.197 1.00 0.00 ATOM 565 C GLY 71 0.813 4.025 11.657 1.00 0.00 ATOM 566 N THR 72 -0.449 3.811 12.043 1.00 0.00 ATOM 567 CA THR 72 -0.861 2.799 13.027 1.00 0.00 ATOM 568 CB THR 72 -2.372 2.878 13.318 1.00 0.00 ATOM 569 CG2 THR 72 -2.782 1.795 14.304 1.00 0.00 ATOM 570 OG1 THR 72 -2.686 4.159 13.879 1.00 0.00 ATOM 571 O THR 72 -0.143 0.540 13.332 1.00 0.00 ATOM 572 C THR 72 -0.569 1.372 12.538 1.00 0.00 ATOM 573 N LEU 73 -0.760 1.086 11.243 1.00 0.00 ATOM 574 CA LEU 73 -0.493 -0.215 10.627 1.00 0.00 ATOM 575 CB LEU 73 -1.163 -0.306 9.253 1.00 0.00 ATOM 576 CG LEU 73 -2.693 -0.343 9.249 1.00 0.00 ATOM 577 CD1 LEU 73 -3.227 -0.304 7.825 1.00 0.00 ATOM 578 CD2 LEU 73 -3.202 -1.613 9.913 1.00 0.00 ATOM 579 O LEU 73 1.369 -1.679 10.323 1.00 0.00 ATOM 580 C LEU 73 1.000 -0.510 10.405 1.00 0.00 ATOM 581 N LEU 74 1.841 0.529 10.262 1.00 0.00 ATOM 582 CA LEU 74 3.208 0.388 9.725 1.00 0.00 ATOM 583 CB LEU 74 3.297 0.987 8.321 1.00 0.00 ATOM 584 CG LEU 74 2.486 0.286 7.232 1.00 0.00 ATOM 585 CD1 LEU 74 1.031 0.143 7.651 1.00 0.00 ATOM 586 CD2 LEU 74 2.531 1.076 5.933 1.00 0.00 ATOM 587 O LEU 74 5.486 0.919 10.190 1.00 0.00 ATOM 588 C LEU 74 4.319 1.072 10.538 1.00 0.00 ATOM 589 N GLY 75 3.987 1.803 11.609 1.00 0.00 ATOM 590 CA GLY 75 4.959 2.506 12.449 1.00 0.00 ATOM 591 O GLY 75 5.922 4.292 11.178 1.00 0.00 ATOM 592 C GLY 75 5.102 3.969 12.033 1.00 0.00 ATOM 593 N ARG 76 4.309 4.855 12.649 1.00 0.00 ATOM 594 CA ARG 76 4.066 6.278 12.325 1.00 0.00 ATOM 595 CB ARG 76 3.322 6.968 13.470 1.00 0.00 ATOM 596 CG ARG 76 1.894 6.486 13.661 1.00 0.00 ATOM 597 CD ARG 76 1.222 7.197 14.826 1.00 0.00 ATOM 598 NE ARG 76 -0.147 6.731 15.035 1.00 0.00 ATOM 599 CZ ARG 76 -0.923 7.121 16.042 1.00 0.00 ATOM 600 NH1 ARG 76 -2.154 6.645 16.151 1.00 0.00 ATOM 601 NH2 ARG 76 -0.464 7.987 16.936 1.00 0.00 ATOM 602 O ARG 76 5.110 8.285 11.554 1.00 0.00 ATOM 603 C ARG 76 5.291 7.180 12.062 1.00 0.00 ATOM 604 N PRO 77 6.520 6.727 12.325 1.00 0.00 ATOM 605 CA PRO 77 7.780 7.476 12.204 1.00 0.00 ATOM 606 CB PRO 77 8.864 6.417 12.420 1.00 0.00 ATOM 607 CG PRO 77 8.206 5.380 13.268 1.00 0.00 ATOM 608 CD PRO 77 6.785 5.287 12.790 1.00 0.00 ATOM 609 O PRO 77 8.535 9.264 10.794 1.00 0.00 ATOM 610 C PRO 77 7.982 8.167 10.843 1.00 0.00 ATOM 611 N HIS 78 7.483 7.560 9.760 1.00 0.00 ATOM 612 CA HIS 78 7.526 8.184 8.439 1.00 0.00 ATOM 613 CB HIS 78 7.020 7.226 7.359 1.00 0.00 ATOM 614 CG HIS 78 7.906 6.039 7.144 1.00 0.00 ATOM 615 CD2 HIS 78 7.618 4.751 6.847 1.00 0.00 ATOM 616 ND1 HIS 78 9.278 6.103 7.264 1.00 0.00 ATOM 617 CE1 HIS 78 9.796 4.908 7.058 1.00 0.00 ATOM 618 NE2 HIS 78 8.810 4.067 6.803 1.00 0.00 ATOM 619 O HIS 78 7.024 10.362 7.601 1.00 0.00 ATOM 620 C HIS 78 6.724 9.475 8.393 1.00 0.00 ATOM 621 N THR 79 5.752 9.625 9.225 1.00 0.00 ATOM 622 CA THR 79 4.831 10.774 9.361 1.00 0.00 ATOM 623 CB THR 79 5.444 11.889 10.228 1.00 0.00 ATOM 624 CG2 THR 79 5.771 11.363 11.618 1.00 0.00 ATOM 625 OG1 THR 79 6.648 12.368 9.617 1.00 0.00 ATOM 626 O THR 79 3.607 12.498 8.232 1.00 0.00 ATOM 627 C THR 79 4.365 11.536 8.104 1.00 0.00 ATOM 628 N VAL 80 4.273 10.656 6.874 1.00 0.00 ATOM 629 CA VAL 80 3.372 10.468 5.727 1.00 0.00 ATOM 630 CB VAL 80 3.863 11.247 4.492 1.00 0.00 ATOM 631 CG1 VAL 80 3.879 12.741 4.776 1.00 0.00 ATOM 632 CG2 VAL 80 5.272 10.814 4.115 1.00 0.00 ATOM 633 O VAL 80 4.342 8.283 5.603 1.00 0.00 ATOM 634 C VAL 80 3.339 8.971 5.408 1.00 0.00 ATOM 635 N SER 81 2.203 8.449 4.933 1.00 0.00 ATOM 636 CA SER 81 1.978 7.001 4.871 1.00 0.00 ATOM 637 CB SER 81 0.633 6.640 5.504 1.00 0.00 ATOM 638 OG SER 81 0.616 6.963 6.883 1.00 0.00 ATOM 639 O SER 81 0.901 6.098 2.944 1.00 0.00 ATOM 640 C SER 81 1.963 6.461 3.446 1.00 0.00 ATOM 641 N ALA 82 3.129 6.387 2.798 1.00 0.00 ATOM 642 CA ALA 82 3.262 5.696 1.506 1.00 0.00 ATOM 643 CB ALA 82 4.300 6.391 0.636 1.00 0.00 ATOM 644 O ALA 82 4.770 3.971 2.281 1.00 0.00 ATOM 645 C ALA 82 3.702 4.242 1.722 1.00 0.00 ATOM 646 N LEU 83 2.805 3.325 1.307 1.00 0.00 ATOM 647 CA LEU 83 2.986 1.909 1.581 1.00 0.00 ATOM 648 CB LEU 83 2.125 1.474 2.772 1.00 0.00 ATOM 649 CG LEU 83 2.038 2.390 3.991 1.00 0.00 ATOM 650 CD1 LEU 83 1.033 3.500 3.718 1.00 0.00 ATOM 651 CD2 LEU 83 1.611 1.584 5.211 1.00 0.00 ATOM 652 O LEU 83 1.833 1.469 -0.480 1.00 0.00 ATOM 653 C LEU 83 2.614 1.058 0.380 1.00 0.00 ATOM 654 N ALA 84 3.195 -0.135 0.327 1.00 0.00 ATOM 655 CA ALA 84 2.894 -1.055 -0.755 1.00 0.00 ATOM 656 CB ALA 84 4.045 -1.097 -1.749 1.00 0.00 ATOM 657 O ALA 84 3.539 -3.027 0.459 1.00 0.00 ATOM 658 C ALA 84 2.672 -2.457 -0.214 1.00 0.00 ATOM 659 N VAL 85 1.490 -2.997 -0.483 1.00 0.00 ATOM 660 CA VAL 85 1.188 -4.353 -0.063 1.00 0.00 ATOM 661 CB VAL 85 -0.329 -4.618 -0.055 1.00 0.00 ATOM 662 CG1 VAL 85 -0.618 -6.056 0.351 1.00 0.00 ATOM 663 CG2 VAL 85 -1.027 -3.691 0.929 1.00 0.00 ATOM 664 O VAL 85 1.422 -5.371 -2.216 1.00 0.00 ATOM 665 C VAL 85 1.894 -5.225 -1.088 1.00 0.00 ATOM 666 N VAL 86 3.043 -5.766 -0.711 1.00 0.00 ATOM 667 CA VAL 86 3.801 -6.618 -1.609 1.00 0.00 ATOM 668 CB VAL 86 5.313 -6.517 -1.343 1.00 0.00 ATOM 669 CG1 VAL 86 6.087 -7.382 -2.325 1.00 0.00 ATOM 670 CG2 VAL 86 5.786 -5.078 -1.491 1.00 0.00 ATOM 671 O VAL 86 3.930 -8.796 -0.597 1.00 0.00 ATOM 672 C VAL 86 3.351 -8.057 -1.395 1.00 0.00 ATOM 673 N ASP 87 2.301 -8.437 -2.122 1.00 0.00 ATOM 674 CA ASP 87 1.731 -9.769 -2.009 1.00 0.00 ATOM 675 CB ASP 87 0.340 -9.814 -2.644 1.00 0.00 ATOM 676 CG ASP 87 -0.669 -8.967 -1.895 1.00 0.00 ATOM 677 OD1 ASP 87 -1.862 -8.995 -2.268 1.00 0.00 ATOM 678 OD2 ASP 87 -0.270 -8.275 -0.934 1.00 0.00 ATOM 679 O ASP 87 2.859 -10.696 -3.894 1.00 0.00 ATOM 680 C ASP 87 2.588 -10.813 -2.703 1.00 0.00 ATOM 681 N PRO 88 3.037 -11.839 -1.963 1.00 0.00 ATOM 682 CA PRO 88 3.864 -12.900 -2.549 1.00 0.00 ATOM 683 CB PRO 88 4.472 -13.608 -1.338 1.00 0.00 ATOM 684 CG PRO 88 3.426 -13.502 -0.279 1.00 0.00 ATOM 685 CD PRO 88 2.866 -12.112 -0.384 1.00 0.00 ATOM 686 O PRO 88 2.781 -14.995 -3.076 1.00 0.00 ATOM 687 C PRO 88 2.941 -13.803 -3.364 1.00 0.00 ATOM 688 N GLY 89 2.323 -13.199 -4.373 1.00 0.00 ATOM 689 CA GLY 89 1.389 -13.897 -5.230 1.00 0.00 ATOM 690 O GLY 89 -0.410 -13.334 -3.751 1.00 0.00 ATOM 691 C GLY 89 -0.037 -13.480 -4.918 1.00 0.00 ATOM 692 N GLU 90 -0.818 -13.244 -5.967 1.00 0.00 ATOM 693 CA GLU 90 -2.225 -12.893 -5.859 1.00 0.00 ATOM 694 CB GLU 90 -2.871 -12.839 -7.245 1.00 0.00 ATOM 695 CG GLU 90 -4.335 -12.427 -7.232 1.00 0.00 ATOM 696 CD GLU 90 -4.926 -12.336 -8.624 1.00 0.00 ATOM 697 OE1 GLU 90 -4.192 -12.596 -9.600 1.00 0.00 ATOM 698 OE2 GLU 90 -6.125 -12.003 -8.740 1.00 0.00 ATOM 699 O GLU 90 -3.808 -13.402 -4.137 1.00 0.00 ATOM 700 C GLU 90 -3.100 -13.838 -5.044 1.00 0.00 ATOM 701 N SER 91 -3.065 -15.127 -5.379 1.00 0.00 ATOM 702 CA SER 91 -3.908 -16.094 -4.670 1.00 0.00 ATOM 703 CB SER 91 -3.802 -17.514 -5.287 1.00 0.00 ATOM 704 OG SER 91 -4.509 -17.606 -6.514 1.00 0.00 ATOM 705 O SER 91 -4.467 -16.118 -2.334 1.00 0.00 ATOM 706 C SER 91 -3.564 -16.150 -3.160 1.00 0.00 ATOM 707 N ARG 92 -2.261 -16.202 -2.829 1.00 0.00 ATOM 708 CA ARG 92 -1.841 -16.288 -1.433 1.00 0.00 ATOM 709 CB ARG 92 -0.336 -16.552 -1.342 1.00 0.00 ATOM 710 CG ARG 92 0.078 -17.944 -1.789 1.00 0.00 ATOM 711 CD ARG 92 1.584 -18.130 -1.694 1.00 0.00 ATOM 712 NE ARG 92 2.001 -19.457 -2.139 1.00 0.00 ATOM 713 CZ ARG 92 3.266 -19.848 -2.244 1.00 0.00 ATOM 714 NH1 ARG 92 3.551 -21.074 -2.657 1.00 0.00 ATOM 715 NH2 ARG 92 4.246 -19.009 -1.934 1.00 0.00 ATOM 716 O ARG 92 -2.627 -15.051 0.471 1.00 0.00 ATOM 717 C ARG 92 -2.127 -15.003 -0.661 1.00 0.00 ATOM 718 N ILE 93 -1.899 -13.856 -1.278 1.00 0.00 ATOM 719 CA ILE 93 -2.166 -12.584 -0.617 1.00 0.00 ATOM 720 CB ILE 93 -1.665 -11.395 -1.462 1.00 0.00 ATOM 721 CG1 ILE 93 -0.142 -11.473 -1.607 1.00 0.00 ATOM 722 CG2 ILE 93 -2.077 -10.076 -0.819 1.00 0.00 ATOM 723 CD1 ILE 93 0.455 -10.468 -2.573 1.00 0.00 ATOM 724 O ILE 93 -4.116 -12.141 0.699 1.00 0.00 ATOM 725 C ILE 93 -3.666 -12.488 -0.397 1.00 0.00 ATOM 726 N LEU 94 -4.436 -12.867 -1.413 1.00 0.00 ATOM 727 CA LEU 94 -5.890 -12.829 -1.310 1.00 0.00 ATOM 728 CB LEU 94 -6.540 -13.144 -2.660 1.00 0.00 ATOM 729 CG LEU 94 -8.072 -13.239 -2.677 1.00 0.00 ATOM 730 CD1 LEU 94 -8.701 -11.978 -2.084 1.00 0.00 ATOM 731 CD2 LEU 94 -8.561 -13.480 -4.103 1.00 0.00 ATOM 732 O LEU 94 -7.189 -13.405 0.623 1.00 0.00 ATOM 733 C LEU 94 -6.387 -13.794 -0.232 1.00 0.00 ATOM 734 N ALA 95 -5.892 -15.037 -0.260 1.00 0.00 ATOM 735 CA ALA 95 -6.308 -16.028 0.749 1.00 0.00 ATOM 736 CB ALA 95 -5.872 -17.404 0.309 1.00 0.00 ATOM 737 O ALA 95 -6.502 -15.706 3.114 1.00 0.00 ATOM 738 C ALA 95 -5.784 -15.593 2.110 1.00 0.00 ATOM 739 N LEU 96 -4.549 -15.091 2.104 1.00 0.00 ATOM 740 CA LEU 96 -3.923 -14.667 3.364 1.00 0.00 ATOM 741 CB LEU 96 -2.474 -14.319 3.143 1.00 0.00 ATOM 742 CG LEU 96 -1.314 -15.218 3.422 1.00 0.00 ATOM 743 CD1 LEU 96 -1.589 -16.353 4.397 1.00 0.00 ATOM 744 CD2 LEU 96 -0.698 -15.643 2.112 1.00 0.00 ATOM 745 O LEU 96 -5.072 -13.493 5.087 1.00 0.00 ATOM 746 C LEU 96 -4.705 -13.479 3.915 1.00 0.00 ATOM 747 N GLY 97 -4.890 -12.510 3.032 1.00 0.00 ATOM 748 CA GLY 97 -5.604 -11.291 3.436 1.00 0.00 ATOM 749 O GLY 97 -7.465 -11.074 4.991 1.00 0.00 ATOM 750 C GLY 97 -6.991 -11.614 3.969 1.00 0.00 ATOM 751 N GLY 98 -7.640 -12.507 3.232 1.00 0.00 ATOM 752 CA GLY 98 -8.984 -12.947 3.554 1.00 0.00 ATOM 753 O GLY 98 -10.132 -13.471 5.533 1.00 0.00 ATOM 754 C GLY 98 -9.054 -13.592 4.922 1.00 0.00 ATOM 755 N LYS 99 -7.964 -14.242 5.369 1.00 0.00 ATOM 756 CA LYS 99 -8.001 -14.931 6.661 1.00 0.00 ATOM 757 CB LYS 99 -7.226 -16.237 6.584 1.00 0.00 ATOM 758 CG LYS 99 -8.103 -17.475 6.709 1.00 0.00 ATOM 759 CD LYS 99 -9.186 -17.290 7.769 1.00 0.00 ATOM 760 CE LYS 99 -10.174 -18.443 7.751 1.00 0.00 ATOM 761 NZ LYS 99 -11.555 -18.000 7.394 1.00 0.00 ATOM 762 O LYS 99 -6.355 -13.488 7.722 1.00 0.00 ATOM 763 C LYS 99 -7.456 -14.035 7.770 1.00 0.00 ATOM 764 N GLU 100 -8.289 -13.887 8.798 1.00 0.00 ATOM 765 CA GLU 100 -7.923 -13.193 10.033 1.00 0.00 ATOM 766 CB GLU 100 -9.147 -12.863 10.873 1.00 0.00 ATOM 767 CG GLU 100 -9.871 -14.047 11.474 1.00 0.00 ATOM 768 CD GLU 100 -9.534 -14.402 12.903 1.00 0.00 ATOM 769 OE1 GLU 100 -8.833 -13.643 13.600 1.00 0.00 ATOM 770 OE2 GLU 100 -10.025 -15.468 13.343 1.00 0.00 ATOM 771 O GLU 100 -7.020 -15.314 10.611 1.00 0.00 ATOM 772 C GLU 100 -6.937 -14.084 10.794 1.00 0.00 TER END