PFRMAT TS TARGET T0170 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 METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 1 PARENT N/A ATOM 1 N GLN 1 -6.123 -10.016 0.864 1.00 0.00 ATOM 2 CA GLN 1 -5.053 -9.667 1.786 1.00 0.00 ATOM 3 CB GLN 1 -3.881 -10.589 1.590 1.00 0.00 ATOM 4 CG GLN 1 -3.250 -10.938 2.907 1.00 0.00 ATOM 5 CD GLN 1 -4.047 -11.889 3.734 1.00 0.00 ATOM 6 OE1 GLN 1 -3.475 -12.835 4.271 1.00 0.00 ATOM 7 NE2 GLN 1 -5.354 -11.628 3.808 1.00 0.00 ATOM 8 O GLN 1 -5.627 -7.353 1.581 1.00 0.00 ATOM 9 C GLN 1 -4.720 -8.183 1.586 1.00 0.00 ATOM 10 N PRO 2 -3.437 -7.863 1.430 1.00 0.00 ATOM 11 CA PRO 2 -2.996 -6.477 1.221 1.00 0.00 ATOM 12 CB PRO 2 -1.482 -6.649 0.982 1.00 0.00 ATOM 13 CG PRO 2 -1.163 -7.844 1.864 1.00 0.00 ATOM 14 CD PRO 2 -2.324 -8.815 1.559 1.00 0.00 ATOM 15 O PRO 2 -4.137 -4.650 0.250 1.00 0.00 ATOM 16 C PRO 2 -3.664 -5.775 0.070 1.00 0.00 ATOM 17 N ALA 3 -3.769 -6.336 -1.130 1.00 0.00 ATOM 18 CA ALA 3 -4.447 -5.670 -2.216 1.00 0.00 ATOM 19 CB ALA 3 -4.446 -6.434 -3.500 1.00 0.00 ATOM 20 O ALA 3 -6.550 -4.467 -2.091 1.00 0.00 ATOM 21 C ALA 3 -5.953 -5.542 -1.916 1.00 0.00 ATOM 22 N LYS 4 -6.558 -6.614 -1.412 1.00 0.00 ATOM 23 CA LYS 4 -7.970 -6.668 -1.068 1.00 0.00 ATOM 24 CB LYS 4 -8.240 -8.097 -0.663 1.00 0.00 ATOM 25 CG LYS 4 -9.636 -8.481 -0.280 1.00 0.00 ATOM 26 CD LYS 4 -10.551 -8.769 -1.466 1.00 0.00 ATOM 27 CE LYS 4 -11.373 -7.522 -1.901 1.00 0.00 ATOM 28 NZ LYS 4 -12.829 -7.724 -1.899 1.00 0.00 ATOM 29 O LYS 4 -9.139 -4.821 -0.138 1.00 0.00 ATOM 30 C LYS 4 -8.260 -5.656 0.041 1.00 0.00 ATOM 31 N LYS 5 -7.499 -5.636 1.122 1.00 0.00 ATOM 32 CA LYS 5 -7.718 -4.650 2.194 1.00 0.00 ATOM 33 CB LYS 5 -6.888 -4.847 3.395 1.00 0.00 ATOM 34 CG LYS 5 -7.195 -6.124 4.153 1.00 0.00 ATOM 35 CD LYS 5 -8.598 -6.133 4.741 1.00 0.00 ATOM 36 CE LYS 5 -8.686 -7.201 5.839 1.00 0.00 ATOM 37 NZ LYS 5 -10.114 -7.359 6.250 1.00 0.00 ATOM 38 O LYS 5 -8.157 -2.288 1.887 1.00 0.00 ATOM 39 C LYS 5 -7.399 -3.273 1.650 1.00 0.00 ATOM 40 N THR 6 -6.327 -3.116 0.891 1.00 0.00 ATOM 41 CA THR 6 -5.946 -1.815 0.348 1.00 0.00 ATOM 42 CB THR 6 -4.481 -1.934 -0.275 1.00 0.00 ATOM 43 CG2 THR 6 -3.983 -0.567 -0.755 1.00 0.00 ATOM 44 OG1 THR 6 -3.562 -2.450 0.700 1.00 0.00 ATOM 45 O THR 6 -7.429 -0.129 -0.490 1.00 0.00 ATOM 46 C THR 6 -7.012 -1.288 -0.609 1.00 0.00 ATOM 47 N TYR 7 -7.459 -2.099 -1.569 1.00 0.00 ATOM 48 CA TYR 7 -8.493 -1.712 -2.500 1.00 0.00 ATOM 49 CB TYR 7 -8.769 -2.787 -3.569 1.00 0.00 ATOM 50 CG TYR 7 -9.996 -2.491 -4.410 1.00 0.00 ATOM 51 CD1 TYR 7 -9.930 -1.630 -5.499 1.00 0.00 ATOM 52 CD2 TYR 7 -11.230 -3.054 -4.100 1.00 0.00 ATOM 53 CE1 TYR 7 -11.047 -1.339 -6.258 1.00 0.00 ATOM 54 CE2 TYR 7 -12.355 -2.763 -4.847 1.00 0.00 ATOM 55 CZ TYR 7 -12.263 -1.912 -5.927 1.00 0.00 ATOM 56 OH TYR 7 -13.389 -1.638 -6.661 1.00 0.00 ATOM 57 O TYR 7 -10.486 -0.468 -2.009 1.00 0.00 ATOM 58 C TYR 7 -9.787 -1.433 -1.735 1.00 0.00 ATOM 59 N THR 8 -10.127 -2.292 -0.785 1.00 0.00 ATOM 60 CA THR 8 -11.357 -2.143 -0.012 1.00 0.00 ATOM 61 CB THR 8 -11.596 -3.359 0.904 1.00 0.00 ATOM 62 CG2 THR 8 -12.861 -3.167 1.725 1.00 0.00 ATOM 63 OG1 THR 8 -11.733 -4.541 0.108 1.00 0.00 ATOM 64 O THR 8 -12.250 -0.103 0.949 1.00 0.00 ATOM 65 C THR 8 -11.281 -0.892 0.865 1.00 0.00 ATOM 66 N TRP 9 -10.116 -0.654 1.445 1.00 0.00 ATOM 67 CA TRP 9 -9.954 0.505 2.323 1.00 0.00 ATOM 68 CB TRP 9 -8.717 0.257 3.252 1.00 0.00 ATOM 69 CG TRP 9 -8.946 -0.799 4.354 1.00 0.00 ATOM 70 CD1 TRP 9 -9.994 -1.691 4.445 1.00 0.00 ATOM 71 CD2 TRP 9 -8.107 -1.060 5.500 1.00 0.00 ATOM 72 CE2 TRP 9 -8.707 -2.117 6.229 1.00 0.00 ATOM 73 CE3 TRP 9 -6.910 -0.505 5.976 1.00 0.00 ATOM 74 NE1 TRP 9 -9.853 -2.479 5.566 1.00 0.00 ATOM 75 CZ2 TRP 9 -8.149 -2.629 7.406 1.00 0.00 ATOM 76 CZ3 TRP 9 -6.358 -1.014 7.144 1.00 0.00 ATOM 77 CH2 TRP 9 -6.981 -2.065 7.846 1.00 0.00 ATOM 78 O TRP 9 -10.429 2.843 2.047 1.00 0.00 ATOM 79 C TRP 9 -9.912 1.836 1.564 1.00 0.00 ATOM 80 N ASN 10 -9.302 1.874 0.389 1.00 0.00 ATOM 81 CA ASN 10 -9.248 3.121 -0.369 1.00 0.00 ATOM 82 CB ASN 10 -8.466 2.861 -1.703 1.00 0.00 ATOM 83 CG ASN 10 -8.557 4.045 -2.665 1.00 0.00 ATOM 84 ND2 ASN 10 -9.429 3.939 -3.667 1.00 0.00 ATOM 85 OD1 ASN 10 -7.868 5.043 -2.494 1.00 0.00 ATOM 86 O ASN 10 -10.850 4.899 -0.619 1.00 0.00 ATOM 87 C ASN 10 -10.619 3.696 -0.746 1.00 0.00 ATOM 88 N THR 11 -11.520 2.818 -1.189 1.00 0.00 ATOM 89 CA THR 11 -12.898 3.275 -1.439 1.00 0.00 ATOM 90 CB THR 11 -13.755 2.280 -2.232 1.00 0.00 ATOM 91 CG2 THR 11 -15.148 2.850 -2.499 1.00 0.00 ATOM 92 OG1 THR 11 -13.090 2.081 -3.484 1.00 0.00 ATOM 93 O THR 11 -14.267 4.655 -0.086 1.00 0.00 ATOM 94 C THR 11 -13.594 3.633 -0.140 1.00 0.00 ATOM 95 N LYS 12 -13.409 2.845 0.901 1.00 0.00 ATOM 96 CA LYS 12 -14.035 3.164 2.181 1.00 0.00 ATOM 97 CB LYS 12 -13.902 1.987 3.151 1.00 0.00 ATOM 98 CG LYS 12 -14.696 0.756 2.744 1.00 0.00 ATOM 99 CD LYS 12 -14.531 -0.363 3.758 1.00 0.00 ATOM 100 CE LYS 12 -15.323 -1.597 3.350 1.00 0.00 ATOM 101 NZ LYS 12 -15.160 -2.710 4.327 1.00 0.00 ATOM 102 O LYS 12 -12.194 4.552 2.827 1.00 0.00 ATOM 103 C LYS 12 -13.408 4.380 2.852 1.00 0.00 ATOM 104 N GLU 13 -14.240 5.211 3.479 1.00 0.00 ATOM 105 CA GLU 13 -13.776 6.400 4.167 1.00 0.00 ATOM 106 CB GLU 13 -14.916 7.276 4.670 1.00 0.00 ATOM 107 CG GLU 13 -15.756 8.009 3.643 1.00 0.00 ATOM 108 CD GLU 13 -16.291 9.298 4.308 1.00 0.00 ATOM 109 OE1 GLU 13 -15.505 10.268 4.455 1.00 0.00 ATOM 110 OE2 GLU 13 -17.441 9.217 4.781 1.00 0.00 ATOM 111 O GLU 13 -11.906 6.674 5.569 1.00 0.00 ATOM 112 C GLU 13 -12.928 6.047 5.385 1.00 0.00 ATOM 113 N GLU 14 -13.347 5.033 6.143 1.00 0.00 ATOM 114 CA GLU 14 -12.614 4.612 7.337 1.00 0.00 ATOM 115 CB GLU 14 -13.437 3.546 8.076 1.00 0.00 ATOM 116 CG GLU 14 -12.683 2.802 9.170 1.00 0.00 ATOM 117 CD GLU 14 -13.625 2.218 10.240 1.00 0.00 ATOM 118 OE1 GLU 14 -13.174 2.117 11.403 1.00 0.00 ATOM 119 OE2 GLU 14 -14.805 1.872 9.921 1.00 0.00 ATOM 120 O GLU 14 -10.228 4.338 7.567 1.00 0.00 ATOM 121 C GLU 14 -11.254 4.038 6.961 1.00 0.00 ATOM 122 N ALA 15 -11.218 3.195 5.953 1.00 0.00 ATOM 123 CA ALA 15 -9.958 2.607 5.516 1.00 0.00 ATOM 124 CB ALA 15 -10.179 1.557 4.472 1.00 0.00 ATOM 125 O ALA 15 -7.851 3.690 5.120 1.00 0.00 ATOM 126 C ALA 15 -9.047 3.631 4.839 1.00 0.00 ATOM 127 N LYS 16 -9.650 4.457 3.981 1.00 0.00 ATOM 128 CA LYS 16 -8.876 5.451 3.247 1.00 0.00 ATOM 129 CB LYS 16 -9.871 6.213 2.340 1.00 0.00 ATOM 130 CG LYS 16 -9.328 7.035 1.198 1.00 0.00 ATOM 131 CD LYS 16 -10.536 7.499 0.283 1.00 0.00 ATOM 132 CE LYS 16 -11.583 8.340 1.080 1.00 0.00 ATOM 133 NZ LYS 16 -12.767 8.789 0.246 1.00 0.00 ATOM 134 O LYS 16 -7.081 6.822 4.069 1.00 0.00 ATOM 135 C LYS 16 -8.237 6.476 4.219 1.00 0.00 ATOM 136 N GLN 17 -9.003 6.919 5.221 1.00 0.00 ATOM 137 CA GLN 17 -8.469 7.893 6.178 1.00 0.00 ATOM 138 CB GLN 17 -9.555 8.334 7.159 1.00 0.00 ATOM 139 CG GLN 17 -10.653 9.181 6.530 1.00 0.00 ATOM 140 CD GLN 17 -11.747 9.541 7.516 1.00 0.00 ATOM 141 OE1 GLN 17 -11.707 9.136 8.679 1.00 0.00 ATOM 142 NE2 GLN 17 -12.730 10.304 7.054 1.00 0.00 ATOM 143 O GLN 17 -6.319 7.970 7.245 1.00 0.00 ATOM 144 C GLN 17 -7.316 7.286 6.979 1.00 0.00 ATOM 145 N ALA 18 -7.426 6.007 7.352 1.00 0.00 ATOM 146 CA ALA 18 -6.351 5.344 8.102 1.00 0.00 ATOM 147 CB ALA 18 -6.746 3.913 8.439 1.00 0.00 ATOM 148 O ALA 18 -3.981 5.415 7.838 1.00 0.00 ATOM 149 C ALA 18 -5.070 5.308 7.289 1.00 0.00 ATOM 150 N PHE 19 -5.126 5.117 5.888 1.00 0.00 ATOM 151 CA PHE 19 -3.956 5.113 4.986 1.00 0.00 ATOM 152 CB PHE 19 -4.197 4.591 3.631 1.00 0.00 ATOM 153 CG PHE 19 -4.047 3.097 3.577 1.00 0.00 ATOM 154 CD1 PHE 19 -5.060 2.267 4.058 1.00 0.00 ATOM 155 CD2 PHE 19 -2.873 2.517 3.088 1.00 0.00 ATOM 156 CE1 PHE 19 -4.911 0.881 4.061 1.00 0.00 ATOM 157 CE2 PHE 19 -2.715 1.130 3.087 1.00 0.00 ATOM 158 CZ PHE 19 -3.740 0.309 3.577 1.00 0.00 ATOM 159 O PHE 19 -2.134 6.652 4.703 1.00 0.00 ATOM 160 C PHE 19 -3.386 6.509 4.738 1.00 0.00 ATOM 161 N LYS 20 -4.192 7.559 4.560 1.00 0.00 ATOM 162 CA LYS 20 -3.664 8.932 4.458 1.00 0.00 ATOM 163 CB LYS 20 -4.807 9.936 4.316 1.00 0.00 ATOM 164 CG LYS 20 -4.352 11.377 4.156 1.00 0.00 ATOM 165 CD LYS 20 -5.534 12.312 3.963 1.00 0.00 ATOM 166 CE LYS 20 -5.080 13.757 3.816 1.00 0.00 ATOM 167 NZ LYS 20 -6.228 14.682 3.614 1.00 0.00 ATOM 168 O LYS 20 -1.690 9.847 5.454 1.00 0.00 ATOM 169 C LYS 20 -2.836 9.395 5.667 1.00 0.00 ATOM 170 N GLU 21 -3.292 9.289 6.928 1.00 0.00 ATOM 171 CA GLU 21 -2.534 9.643 8.087 1.00 0.00 ATOM 172 CB GLU 21 -3.426 9.641 9.333 1.00 0.00 ATOM 173 CG GLU 21 -4.474 10.742 9.346 1.00 0.00 ATOM 174 CD GLU 21 -5.373 10.674 10.566 1.00 0.00 ATOM 175 OE1 GLU 21 -5.207 9.737 11.375 1.00 0.00 ATOM 176 OE2 GLU 21 -6.241 11.561 10.714 1.00 0.00 ATOM 177 O GLU 21 -0.356 9.036 8.861 1.00 0.00 ATOM 178 C GLU 21 -1.399 8.667 8.322 1.00 0.00 ATOM 179 N LEU 22 -1.497 7.401 7.940 1.00 0.00 ATOM 180 CA LEU 22 -0.352 6.506 8.056 1.00 0.00 ATOM 181 CB LEU 22 -0.811 5.045 8.022 1.00 0.00 ATOM 182 CG LEU 22 -1.618 4.559 9.228 1.00 0.00 ATOM 183 CD1 LEU 22 -2.115 3.139 9.006 1.00 0.00 ATOM 184 CD2 LEU 22 -0.763 4.573 10.486 1.00 0.00 ATOM 185 O LEU 22 1.847 6.721 7.017 1.00 0.00 ATOM 186 C LEU 22 0.629 6.728 6.899 1.00 0.00 ATOM 187 N LEU 23 0.057 6.907 5.719 1.00 0.00 ATOM 188 CA LEU 23 0.794 6.946 4.478 1.00 0.00 ATOM 189 CB LEU 23 -0.167 6.341 3.381 1.00 0.00 ATOM 190 CG LEU 23 0.284 5.137 2.555 1.00 0.00 ATOM 191 CD1 LEU 23 1.078 4.145 3.374 1.00 0.00 ATOM 192 CD2 LEU 23 -0.950 4.486 1.963 1.00 0.00 ATOM 193 O LEU 23 2.578 8.212 3.516 1.00 0.00 ATOM 194 C LEU 23 1.561 8.227 4.251 1.00 0.00 ATOM 195 N LYS 24 1.092 9.324 4.857 1.00 0.00 ATOM 196 CA LYS 24 1.745 10.607 4.606 1.00 0.00 ATOM 197 CB LYS 24 1.080 11.716 5.427 1.00 0.00 ATOM 198 CG LYS 24 1.645 13.104 5.167 1.00 0.00 ATOM 199 CD LYS 24 0.903 14.161 5.969 1.00 0.00 ATOM 200 CE LYS 24 1.474 15.545 5.721 1.00 0.00 ATOM 201 NZ LYS 24 0.751 16.592 6.493 1.00 0.00 ATOM 202 O LYS 24 4.025 11.326 4.398 1.00 0.00 ATOM 203 C LYS 24 3.225 10.586 4.979 1.00 0.00 ATOM 204 N GLU 25 3.593 9.757 5.981 1.00 0.00 ATOM 205 CA GLU 25 5.015 9.714 6.362 1.00 0.00 ATOM 206 CB GLU 25 5.113 9.145 7.802 1.00 0.00 ATOM 207 CG GLU 25 4.535 10.089 8.862 1.00 0.00 ATOM 208 CD GLU 25 5.215 11.451 8.859 1.00 0.00 ATOM 209 OE1 GLU 25 6.453 11.504 8.726 1.00 0.00 ATOM 210 OE2 GLU 25 4.510 12.473 8.971 1.00 0.00 ATOM 211 O GLU 25 7.055 9.380 5.175 1.00 0.00 ATOM 212 C GLU 25 5.860 9.063 5.306 1.00 0.00 ATOM 213 N LYS 26 5.281 8.150 4.495 1.00 0.00 ATOM 214 CA LYS 26 6.006 7.589 3.368 1.00 0.00 ATOM 215 CB LYS 26 5.360 6.347 2.829 1.00 0.00 ATOM 216 CG LYS 26 6.092 5.063 3.168 1.00 0.00 ATOM 217 CD LYS 26 7.510 5.039 2.612 1.00 0.00 ATOM 218 CE LYS 26 8.167 3.705 2.904 1.00 0.00 ATOM 219 NZ LYS 26 9.631 3.730 2.654 1.00 0.00 ATOM 220 O LYS 26 7.236 8.670 1.629 1.00 0.00 ATOM 221 C LYS 26 6.187 8.634 2.283 1.00 0.00 ATOM 222 N ARG 27 5.144 9.646 2.113 1.00 0.00 ATOM 223 CA ARG 27 4.788 10.534 1.025 1.00 0.00 ATOM 224 CB ARG 27 6.028 10.905 0.209 1.00 0.00 ATOM 225 CG ARG 27 7.046 11.734 0.973 1.00 0.00 ATOM 226 CD ARG 27 8.262 12.048 0.111 1.00 0.00 ATOM 227 NE ARG 27 9.260 12.829 0.836 1.00 0.00 ATOM 228 CZ ARG 27 10.450 13.158 0.345 1.00 0.00 ATOM 229 NH1 ARG 27 11.293 13.870 1.077 1.00 0.00 ATOM 230 NH2 ARG 27 10.793 12.770 -0.876 1.00 0.00 ATOM 231 O ARG 27 3.668 10.378 -1.097 1.00 0.00 ATOM 232 C ARG 27 3.788 9.938 0.052 1.00 0.00 ATOM 233 N VAL 28 3.010 8.943 0.468 1.00 0.00 ATOM 234 CA VAL 28 2.016 8.337 -0.389 1.00 0.00 ATOM 235 CB VAL 28 2.493 6.872 -0.811 1.00 0.00 ATOM 236 CG1 VAL 28 3.114 6.190 0.402 1.00 0.00 ATOM 237 CG2 VAL 28 1.340 6.049 -1.371 1.00 0.00 ATOM 238 O VAL 28 0.428 8.091 1.402 1.00 0.00 ATOM 239 C VAL 28 0.621 8.394 0.217 1.00 0.00 ATOM 240 N PRO 29 -0.315 8.831 -0.590 1.00 0.00 ATOM 241 CA PRO 29 -1.780 8.908 -0.223 1.00 0.00 ATOM 242 CB PRO 29 -2.312 9.981 -1.219 1.00 0.00 ATOM 243 CG PRO 29 -1.372 9.895 -2.388 1.00 0.00 ATOM 244 CD PRO 29 -0.028 9.562 -1.802 1.00 0.00 ATOM 245 O PRO 29 -2.575 6.843 -1.056 1.00 0.00 ATOM 246 C PRO 29 -2.565 7.636 -0.102 1.00 0.00 ATOM 247 N SER 30 -3.240 7.358 0.910 1.00 0.00 ATOM 248 CA SER 30 -4.195 6.253 0.881 1.00 0.00 ATOM 249 CB SER 30 -5.263 6.413 1.949 1.00 0.00 ATOM 250 OG SER 30 -5.978 7.651 1.858 1.00 0.00 ATOM 251 O SER 30 -5.929 5.504 -0.629 1.00 0.00 ATOM 252 C SER 30 -5.293 6.464 -0.167 1.00 0.00 ATOM 253 N ASN 31 -5.532 7.710 -0.542 1.00 0.00 ATOM 254 CA ASN 31 -6.565 8.025 -1.530 1.00 0.00 ATOM 255 CB ASN 31 -6.757 9.565 -1.599 1.00 0.00 ATOM 256 CG ASN 31 -5.474 10.247 -1.992 1.00 0.00 ATOM 257 ND2 ASN 31 -5.593 11.325 -2.745 1.00 0.00 ATOM 258 OD1 ASN 31 -4.369 9.764 -1.596 1.00 0.00 ATOM 259 O ASN 31 -7.316 7.059 -3.601 1.00 0.00 ATOM 260 C ASN 31 -6.359 7.321 -2.871 1.00 0.00 ATOM 261 N ALA 32 -5.108 7.021 -3.202 1.00 0.00 ATOM 262 CA ALA 32 -4.765 6.332 -4.434 1.00 0.00 ATOM 263 CB ALA 32 -3.316 6.623 -4.808 1.00 0.00 ATOM 264 O ALA 32 -4.894 4.276 -3.203 1.00 0.00 ATOM 265 C ALA 32 -5.155 4.867 -4.250 1.00 0.00 ATOM 266 N SER 33 -5.175 4.194 -5.408 1.00 0.00 ATOM 267 CA SER 33 -5.514 2.756 -5.460 1.00 0.00 ATOM 268 CB SER 33 -5.785 2.320 -6.901 1.00 0.00 ATOM 269 OG SER 33 -4.602 2.385 -7.684 1.00 0.00 ATOM 270 O SER 33 -3.237 2.381 -4.790 1.00 0.00 ATOM 271 C SER 33 -4.351 1.929 -4.906 1.00 0.00 ATOM 272 N TRP 34 -4.616 0.628 -4.662 1.00 0.00 ATOM 273 CA TRP 34 -3.567 -0.227 -4.173 1.00 0.00 ATOM 274 CB TRP 34 -4.061 -1.643 -3.867 1.00 0.00 ATOM 275 CG TRP 34 -2.919 -2.614 -3.581 1.00 0.00 ATOM 276 CD1 TRP 34 -2.802 -3.772 -4.309 1.00 0.00 ATOM 277 CD2 TRP 34 -1.897 -2.432 -2.659 1.00 0.00 ATOM 278 CE2 TRP 34 -1.125 -3.578 -2.891 1.00 0.00 ATOM 279 CE3 TRP 34 -1.490 -1.498 -1.684 1.00 0.00 ATOM 280 NE1 TRP 34 -1.699 -4.325 -3.859 1.00 0.00 ATOM 281 CZ2 TRP 34 0.047 -3.807 -2.163 1.00 0.00 ATOM 282 CZ3 TRP 34 -0.316 -1.720 -0.958 1.00 0.00 ATOM 283 CH2 TRP 34 0.442 -2.875 -1.204 1.00 0.00 ATOM 284 O TRP 34 -1.207 -0.231 -4.808 1.00 0.00 ATOM 285 C TRP 34 -2.392 -0.258 -5.151 1.00 0.00 ATOM 286 N GLU 35 -2.771 -0.284 -6.419 1.00 0.00 ATOM 287 CA GLU 35 -1.801 -0.361 -7.456 1.00 0.00 ATOM 288 CB GLU 35 -2.509 -0.507 -8.846 1.00 0.00 ATOM 289 CG GLU 35 -1.760 -1.409 -9.837 1.00 0.00 ATOM 290 CD GLU 35 -1.374 -2.761 -9.235 1.00 0.00 ATOM 291 OE1 GLU 35 -2.083 -3.481 -8.534 1.00 0.00 ATOM 292 OE2 GLU 35 -0.171 -3.115 -9.564 1.00 0.00 ATOM 293 O GLU 35 0.196 0.878 -7.742 1.00 0.00 ATOM 294 C GLU 35 -0.998 0.917 -7.484 1.00 0.00 ATOM 295 N GLN 36 -1.680 2.044 -7.352 1.00 0.00 ATOM 296 CA GLN 36 -0.985 3.328 -7.326 1.00 0.00 ATOM 297 CB GLN 36 -1.924 4.497 -7.281 1.00 0.00 ATOM 298 CG GLN 36 -2.762 4.573 -8.509 1.00 0.00 ATOM 299 CD GLN 36 -3.784 5.648 -8.435 1.00 0.00 ATOM 300 OE1 GLN 36 -3.892 6.466 -9.324 1.00 0.00 ATOM 301 NE2 GLN 36 -4.548 5.660 -7.367 1.00 0.00 ATOM 302 O GLN 36 1.081 3.957 -6.220 1.00 0.00 ATOM 303 C GLN 36 -0.052 3.466 -6.124 1.00 0.00 ATOM 304 N ALA 37 -0.584 3.056 -4.975 1.00 0.00 ATOM 305 CA ALA 37 0.286 3.112 -3.759 1.00 0.00 ATOM 306 CB ALA 37 -0.608 2.893 -2.555 1.00 0.00 ATOM 307 O ALA 37 2.593 2.515 -3.399 1.00 0.00 ATOM 308 C ALA 37 1.461 2.177 -3.850 1.00 0.00 ATOM 309 N MET 38 1.279 0.980 -4.440 1.00 0.00 ATOM 310 CA MET 38 2.391 0.034 -4.593 1.00 0.00 ATOM 311 CB MET 38 1.869 -1.346 -4.993 1.00 0.00 ATOM 312 CG MET 38 2.983 -2.321 -5.351 1.00 0.00 ATOM 313 SD MET 38 2.401 -3.765 -6.268 1.00 0.00 ATOM 314 CE MET 38 1.970 -4.858 -4.925 1.00 0.00 ATOM 315 O MET 38 4.563 0.425 -5.483 1.00 0.00 ATOM 316 C MET 38 3.362 0.535 -5.675 1.00 0.00 ATOM 317 N LYS 39 2.861 1.160 -6.760 1.00 0.00 ATOM 318 CA LYS 39 3.745 1.650 -7.817 1.00 0.00 ATOM 319 CB LYS 39 2.929 2.115 -9.025 1.00 0.00 ATOM 320 CG LYS 39 3.771 2.565 -10.206 1.00 0.00 ATOM 321 CD LYS 39 2.901 2.961 -11.388 1.00 0.00 ATOM 322 CE LYS 39 3.741 3.426 -12.564 1.00 0.00 ATOM 323 NZ LYS 39 2.900 3.805 -13.735 1.00 0.00 ATOM 324 O LYS 39 5.676 3.008 -7.765 1.00 0.00 ATOM 325 C LYS 39 4.568 2.827 -7.294 1.00 0.00 ATOM 326 N MET 40 3.901 3.734 -6.436 1.00 0.00 ATOM 327 CA MET 40 4.613 4.878 -5.874 1.00 0.00 ATOM 328 CB MET 40 3.606 5.785 -5.145 1.00 0.00 ATOM 329 CG MET 40 2.694 6.574 -6.078 1.00 0.00 ATOM 330 SD MET 40 1.450 7.518 -5.204 1.00 0.00 ATOM 331 CE MET 40 2.463 8.846 -4.541 1.00 0.00 ATOM 332 O MET 40 6.842 4.946 -4.993 1.00 0.00 ATOM 333 C MET 40 5.720 4.454 -4.921 1.00 0.00 ATOM 334 N ILE 41 5.378 3.561 -4.012 1.00 0.00 ATOM 335 CA ILE 41 6.390 3.079 -3.047 1.00 0.00 ATOM 336 CB ILE 41 5.713 2.384 -1.847 1.00 0.00 ATOM 337 CG1 ILE 41 4.772 3.362 -1.122 1.00 0.00 ATOM 338 CG2 ILE 41 6.778 1.812 -0.893 1.00 0.00 ATOM 339 CD1 ILE 41 3.910 2.541 -0.141 1.00 0.00 ATOM 340 O ILE 41 8.652 2.436 -3.435 1.00 0.00 ATOM 341 C ILE 41 7.456 2.275 -3.731 1.00 0.00 ATOM 342 N ILE 42 7.133 1.374 -4.648 1.00 0.00 ATOM 343 CA ILE 42 8.148 0.576 -5.344 1.00 0.00 ATOM 344 CB ILE 42 7.514 -0.487 -6.297 1.00 0.00 ATOM 345 CG1 ILE 42 6.827 -1.592 -5.485 1.00 0.00 ATOM 346 CG2 ILE 42 8.577 -1.086 -7.224 1.00 0.00 ATOM 347 CD1 ILE 42 6.081 -2.609 -6.326 1.00 0.00 ATOM 348 O ILE 42 10.297 1.337 -6.110 1.00 0.00 ATOM 349 C ILE 42 9.076 1.477 -6.165 1.00 0.00 ATOM 350 N ASN 43 8.477 2.411 -6.918 1.00 0.00 ATOM 351 CA ASN 43 9.272 3.317 -7.740 1.00 0.00 ATOM 352 CB ASN 43 8.365 4.143 -8.662 1.00 0.00 ATOM 353 CG ASN 43 7.793 3.319 -9.798 1.00 0.00 ATOM 354 ND2 ASN 43 6.659 3.754 -10.347 1.00 0.00 ATOM 355 OD1 ASN 43 8.376 2.307 -10.194 1.00 0.00 ATOM 356 O ASN 43 11.227 4.658 -7.370 1.00 0.00 ATOM 357 C ASN 43 10.166 4.233 -6.907 1.00 0.00 ATOM 358 N ASP 44 9.751 4.521 -5.667 1.00 0.00 ATOM 359 CA ASP 44 10.521 5.368 -4.782 1.00 0.00 ATOM 360 CB ASP 44 10.127 6.357 -4.054 1.00 0.00 ATOM 361 CG ASP 44 10.245 7.579 -4.930 1.00 0.00 ATOM 362 OD1 ASP 44 10.900 7.500 -5.994 1.00 0.00 ATOM 363 OD2 ASP 44 9.693 8.634 -4.545 1.00 0.00 ATOM 364 O ASP 44 11.449 3.544 -3.530 1.00 0.00 ATOM 365 C ASP 44 11.670 4.541 -4.213 1.00 0.00 ATOM 366 N PRO 45 12.915 4.950 -4.502 1.00 0.00 ATOM 367 CA PRO 45 14.084 4.222 -4.001 1.00 0.00 ATOM 368 CB PRO 45 15.223 5.202 -4.198 1.00 0.00 ATOM 369 CG PRO 45 14.617 6.479 -4.441 1.00 0.00 ATOM 370 CD PRO 45 13.336 6.214 -5.123 1.00 0.00 ATOM 371 O PRO 45 14.485 3.124 -1.897 1.00 0.00 ATOM 372 C PRO 45 14.064 4.128 -2.475 1.00 0.00 ATOM 373 N ARG 46 13.555 5.194 -1.839 1.00 0.00 ATOM 374 CA ARG 46 13.496 5.201 -0.410 1.00 0.00 ATOM 375 CB ARG 46 13.190 6.608 0.108 1.00 0.00 ATOM 376 CG ARG 46 13.120 6.711 1.622 1.00 0.00 ATOM 377 CD ARG 46 12.889 8.145 2.068 1.00 0.00 ATOM 378 NE ARG 46 12.809 8.261 3.522 1.00 0.00 ATOM 379 CZ ARG 46 12.552 9.392 4.169 1.00 0.00 ATOM 380 NH1 ARG 46 12.496 9.403 5.495 1.00 0.00 ATOM 381 NH2 ARG 46 12.349 10.514 3.489 1.00 0.00 ATOM 382 O ARG 46 12.721 3.386 0.934 1.00 0.00 ATOM 383 C ARG 46 12.419 4.266 0.117 1.00 0.00 ATOM 384 N TYR 47 11.178 4.445 -0.326 1.00 0.00 ATOM 385 CA TYR 47 10.091 3.592 0.134 1.00 0.00 ATOM 386 CB TYR 47 8.738 4.329 -0.379 1.00 0.00 ATOM 387 CG TYR 47 8.525 5.737 0.140 1.00 0.00 ATOM 388 CD1 TYR 47 8.998 6.117 1.398 1.00 0.00 ATOM 389 CD2 TYR 47 7.839 6.685 -0.615 1.00 0.00 ATOM 390 CE1 TYR 47 8.788 7.406 1.896 1.00 0.00 ATOM 391 CE2 TYR 47 7.626 7.980 -0.127 1.00 0.00 ATOM 392 CZ TYR 47 8.097 8.329 1.129 1.00 0.00 ATOM 393 OH TYR 47 7.830 9.588 1.620 1.00 0.00 ATOM 394 O TYR 47 9.927 1.262 0.475 1.00 0.00 ATOM 395 C TYR 47 10.328 2.138 -0.246 1.00 0.00 ATOM 396 N SER 48 11.005 1.869 -1.340 1.00 0.00 ATOM 397 CA SER 48 11.248 0.494 -1.760 1.00 0.00 ATOM 398 CB SER 48 11.821 0.459 -3.179 1.00 0.00 ATOM 399 OG SER 48 13.092 1.082 -3.232 1.00 0.00 ATOM 400 O SER 48 11.970 -1.283 -0.305 1.00 0.00 ATOM 401 C SER 48 12.257 -0.194 -0.809 1.00 0.00 ATOM 402 N ALA 49 13.318 0.582 -0.497 1.00 0.00 ATOM 403 CA ALA 49 14.322 0.057 0.433 1.00 0.00 ATOM 404 CB ALA 49 15.481 1.040 0.521 1.00 0.00 ATOM 405 O ALA 49 13.951 -1.160 2.394 1.00 0.00 ATOM 406 C ALA 49 13.705 -0.102 1.817 1.00 0.00 ATOM 407 N LEU 50 13.010 0.888 2.323 1.00 0.00 ATOM 408 CA LEU 50 12.359 0.726 3.628 1.00 0.00 ATOM 409 CB LEU 50 11.702 2.008 4.104 1.00 0.00 ATOM 410 CG LEU 50 10.987 1.922 5.455 1.00 0.00 ATOM 411 CD1 LEU 50 12.015 1.658 6.573 1.00 0.00 ATOM 412 CD2 LEU 50 10.210 3.207 5.806 1.00 0.00 ATOM 413 O LEU 50 11.409 -1.324 4.541 1.00 0.00 ATOM 414 C LEU 50 11.412 -0.448 3.654 1.00 0.00 ATOM 415 N ALA 51 10.554 -0.529 2.626 1.00 0.00 ATOM 416 CA ALA 51 9.614 -1.632 2.555 1.00 0.00 ATOM 417 CB ALA 51 8.620 -1.414 1.378 1.00 0.00 ATOM 418 O ALA 51 9.973 -3.961 3.018 1.00 0.00 ATOM 419 C ALA 51 10.358 -2.959 2.419 1.00 0.00 ATOM 420 N ASN 52 11.434 -2.974 1.621 1.00 0.00 ATOM 421 CA ASN 52 12.216 -4.195 1.498 1.00 0.00 ATOM 422 CB ASN 52 13.720 -3.611 0.973 1.00 0.00 ATOM 423 CG ASN 52 14.589 -4.531 0.141 1.00 0.00 ATOM 424 ND2 ASN 52 15.869 -4.619 0.480 1.00 0.00 ATOM 425 OD1 ASN 52 14.101 -5.171 -0.793 1.00 0.00 ATOM 426 O ASN 52 12.678 -5.908 3.097 1.00 0.00 ATOM 427 C ASN 52 12.688 -4.706 2.842 1.00 0.00 ATOM 428 N LEU 53 13.161 -3.799 3.698 1.00 0.00 ATOM 429 CA LEU 53 13.636 -4.241 4.992 1.00 0.00 ATOM 430 CB LEU 53 14.211 -3.081 5.807 1.00 0.00 ATOM 431 CG LEU 53 15.221 -2.162 5.101 1.00 0.00 ATOM 432 CD1 LEU 53 15.764 -1.146 6.094 1.00 0.00 ATOM 433 CD2 LEU 53 16.350 -2.937 4.479 1.00 0.00 ATOM 434 O LEU 53 12.785 -5.882 6.510 1.00 0.00 ATOM 435 C LEU 53 12.521 -4.956 5.753 1.00 0.00 ATOM 436 N SER 54 11.279 -4.519 5.596 1.00 0.00 ATOM 437 CA SER 54 10.164 -5.067 6.359 1.00 0.00 ATOM 438 CB SER 54 9.166 -3.988 6.749 1.00 0.00 ATOM 439 OG SER 54 8.571 -3.422 5.623 1.00 0.00 ATOM 440 O SER 54 9.868 -6.300 4.331 1.00 0.00 ATOM 441 C SER 54 9.439 -6.065 5.459 1.00 0.00 ATOM 442 N GLU 55 8.310 -6.578 5.941 1.00 0.00 ATOM 443 CA GLU 55 7.555 -7.611 5.204 1.00 0.00 ATOM 444 CB GLU 55 6.629 -8.399 6.172 1.00 0.00 ATOM 445 CG GLU 55 5.509 -7.528 6.703 1.00 0.00 ATOM 446 CD GLU 55 4.406 -8.334 7.438 1.00 0.00 ATOM 447 OE1 GLU 55 4.730 -9.395 8.007 1.00 0.00 ATOM 448 OE2 GLU 55 3.232 -7.883 7.460 1.00 0.00 ATOM 449 O GLU 55 6.130 -7.703 3.343 1.00 0.00 ATOM 450 C GLU 55 6.681 -6.995 4.160 1.00 0.00 ATOM 451 N LYS 56 6.544 -5.684 4.127 1.00 0.00 ATOM 452 CA LYS 56 5.607 -5.054 3.196 1.00 0.00 ATOM 453 CB LYS 56 5.330 -3.631 3.465 1.00 0.00 ATOM 454 CG LYS 56 4.841 -3.261 4.918 1.00 0.00 ATOM 455 CD LYS 56 3.567 -3.951 5.323 1.00 0.00 ATOM 456 CE LYS 56 3.132 -3.481 6.723 1.00 0.00 ATOM 457 NZ LYS 56 3.124 -1.980 6.719 1.00 0.00 ATOM 458 O LYS 56 5.123 -5.580 0.902 1.00 0.00 ATOM 459 C LYS 56 5.982 -5.279 1.734 1.00 0.00 ATOM 460 N LYS 57 7.271 -5.129 1.442 1.00 0.00 ATOM 461 CA LYS 57 7.741 -5.312 0.068 1.00 0.00 ATOM 462 CB LYS 57 9.185 -4.868 -0.068 1.00 0.00 ATOM 463 CG LYS 57 9.856 -5.130 -1.421 1.00 0.00 ATOM 464 CD LYS 57 9.462 -4.122 -2.474 1.00 0.00 ATOM 465 CE LYS 57 10.562 -3.944 -3.521 1.00 0.00 ATOM 466 NZ LYS 57 10.887 -5.194 -4.262 1.00 0.00 ATOM 467 O LYS 57 7.176 -7.107 -1.422 1.00 0.00 ATOM 468 C LYS 57 7.627 -6.777 -0.320 1.00 0.00 ATOM 469 N GLN 58 8.035 -7.646 0.598 1.00 0.00 ATOM 470 CA GLN 58 8.010 -9.083 0.357 1.00 0.00 ATOM 471 CB GLN 58 8.805 -9.818 1.440 1.00 0.00 ATOM 472 CG GLN 58 10.295 -9.911 1.147 1.00 0.00 ATOM 473 CD GLN 58 11.109 -10.353 2.348 1.00 0.00 ATOM 474 OE1 GLN 58 10.732 -11.282 3.063 1.00 0.00 ATOM 475 NE2 GLN 58 12.240 -9.694 2.569 1.00 0.00 ATOM 476 O GLN 58 6.145 -10.271 -0.577 1.00 0.00 ATOM 477 C GLN 58 6.558 -9.561 0.339 1.00 0.00 ATOM 478 N ALA 59 5.773 -9.167 1.334 1.00 0.00 ATOM 479 CA ALA 59 4.361 -9.563 1.410 1.00 0.00 ATOM 480 CB ALA 59 3.753 -9.135 2.755 1.00 0.00 ATOM 481 O ALA 59 2.735 -9.606 -0.384 1.00 0.00 ATOM 482 C ALA 59 3.571 -8.940 0.239 1.00 0.00 ATOM 483 N PHE 60 3.825 -7.658 -0.043 1.00 0.00 ATOM 484 CA PHE 60 3.164 -6.957 -1.150 1.00 0.00 ATOM 485 CB PHE 60 3.566 -5.554 -1.375 1.00 0.00 ATOM 486 CG PHE 60 3.096 -4.544 -0.337 1.00 0.00 ATOM 487 CD1 PHE 60 1.890 -4.717 0.344 1.00 0.00 ATOM 488 CD2 PHE 60 3.879 -3.430 -0.066 1.00 0.00 ATOM 489 CE1 PHE 60 1.491 -3.773 1.277 1.00 0.00 ATOM 490 CE2 PHE 60 3.487 -2.490 0.878 1.00 0.00 ATOM 491 CZ PHE 60 2.296 -2.684 1.539 1.00 0.00 ATOM 492 O PHE 60 2.646 -7.946 -3.259 1.00 0.00 ATOM 493 C PHE 60 3.520 -7.654 -2.446 1.00 0.00 ATOM 494 N ASN 61 4.823 -7.917 -2.612 1.00 0.00 ATOM 495 CA ASN 61 5.302 -8.590 -3.813 1.00 0.00 ATOM 496 CB ASN 61 6.834 -8.569 -3.814 1.00 0.00 ATOM 497 CG ASN 61 7.456 -9.543 -4.788 1.00 0.00 ATOM 498 ND2 ASN 61 7.878 -9.077 -5.939 1.00 0.00 ATOM 499 OD1 ASN 61 7.574 -10.742 -4.471 1.00 0.00 ATOM 500 O ASN 61 4.272 -10.423 -4.962 1.00 0.00 ATOM 501 C ASN 61 4.725 -9.986 -3.901 1.00 0.00 ATOM 502 N ALA 62 4.727 -10.735 -2.801 1.00 0.00 ATOM 503 CA ALA 62 4.138 -12.068 -2.789 1.00 0.00 ATOM 504 CB ALA 62 4.383 -12.823 -1.503 1.00 0.00 ATOM 505 O ALA 62 2.103 -12.637 -3.922 1.00 0.00 ATOM 506 C ALA 62 2.631 -11.988 -3.023 1.00 0.00 ATOM 507 N TYR 63 1.943 -11.192 -2.207 1.00 0.00 ATOM 508 CA TYR 63 0.512 -11.026 -2.329 1.00 0.00 ATOM 509 CB TYR 63 -0.104 -10.158 -1.289 1.00 0.00 ATOM 510 CG TYR 63 -1.607 -10.240 -1.364 1.00 0.00 ATOM 511 CD1 TYR 63 -2.341 -9.409 -2.234 1.00 0.00 ATOM 512 CD2 TYR 63 -2.300 -11.199 -0.624 1.00 0.00 ATOM 513 CE1 TYR 63 -3.725 -9.543 -2.358 1.00 0.00 ATOM 514 CE2 TYR 63 -3.682 -11.340 -0.742 1.00 0.00 ATOM 515 CZ TYR 63 -4.384 -10.515 -1.609 1.00 0.00 ATOM 516 OH TYR 63 -5.738 -10.684 -1.722 1.00 0.00 ATOM 517 O TYR 63 -0.641 -10.962 -4.439 1.00 0.00 ATOM 518 C TYR 63 0.173 -10.452 -3.700 1.00 0.00 ATOM 519 N LYS 64 0.846 -9.388 -4.066 1.00 0.00 ATOM 520 CA LYS 64 0.703 -8.776 -5.381 1.00 0.00 ATOM 521 CB LYS 64 1.481 -7.503 -5.532 1.00 0.00 ATOM 522 CG LYS 64 0.922 -6.662 -6.667 1.00 0.00 ATOM 523 CD LYS 64 1.586 -6.977 -7.991 1.00 0.00 ATOM 524 CE LYS 64 0.568 -7.267 -9.078 1.00 0.00 ATOM 525 NZ LYS 64 -0.232 -6.038 -9.398 1.00 0.00 ATOM 526 O LYS 64 0.352 -9.977 -7.432 1.00 0.00 ATOM 527 C LYS 64 1.080 -9.794 -6.460 1.00 0.00 ATOM 528 N VAL 65 2.222 -10.460 -6.258 1.00 0.00 ATOM 529 CA VAL 65 2.642 -11.524 -7.164 1.00 0.00 ATOM 530 CB VAL 65 4.073 -12.005 -6.821 1.00 0.00 ATOM 531 CG1 VAL 65 4.414 -13.296 -7.586 1.00 0.00 ATOM 532 CG2 VAL 65 5.083 -10.890 -7.167 1.00 0.00 ATOM 533 O VAL 65 1.201 -13.227 -8.083 1.00 0.00 ATOM 534 C VAL 65 1.641 -12.680 -7.059 1.00 0.00 ATOM 535 N GLN 66 1.246 -13.031 -5.852 1.00 0.00 ATOM 536 CA GLN 66 0.299 -14.116 -5.607 1.00 0.00 ATOM 537 CB GLN 66 -0.106 -14.372 -4.228 1.00 0.00 ATOM 538 CG GLN 66 -0.857 -15.643 -3.894 1.00 0.00 ATOM 539 CD GLN 66 -0.359 -16.955 -4.501 1.00 0.00 ATOM 540 OE1 GLN 66 0.833 -17.134 -4.758 1.00 0.00 ATOM 541 NE2 GLN 66 -1.309 -17.854 -4.739 1.00 0.00 ATOM 542 O GLN 66 -1.726 -14.591 -6.820 1.00 0.00 ATOM 543 C GLN 66 -1.111 -13.788 -6.127 1.00 0.00 ATOM 544 N THR 67 -1.624 -12.619 -5.743 1.00 0.00 ATOM 545 CA THR 67 -2.963 -12.097 -5.983 1.00 0.00 ATOM 546 CB THR 67 -3.044 -11.252 -7.257 1.00 0.00 ATOM 547 CG2 THR 67 -2.203 -9.995 -7.081 1.00 0.00 ATOM 548 OG1 THR 67 -2.565 -11.983 -8.391 1.00 0.00 ATOM 549 O THR 67 -4.980 -13.227 -6.655 1.00 0.00 ATOM 550 C THR 67 -4.074 -13.140 -5.829 1.00 0.00 ATOM 551 N GLU 68 -4.048 -13.886 -4.726 1.00 0.00 ATOM 552 CA GLU 68 -5.156 -14.761 -4.341 1.00 0.00 ATOM 553 CB GLU 68 -4.808 -15.523 -3.058 1.00 0.00 ATOM 554 CG GLU 68 -5.960 -16.445 -2.555 1.00 0.00 ATOM 555 CD GLU 68 -5.608 -17.893 -2.873 1.00 0.00 ATOM 556 OE1 GLU 68 -5.422 -18.090 -4.099 1.00 0.00 ATOM 557 OE2 GLU 68 -5.514 -18.671 -1.953 1.00 0.00 ATOM 558 O GLU 68 -7.552 -14.490 -4.405 1.00 0.00 ATOM 559 C GLU 68 -6.454 -14.006 -4.097 1.00 0.00 ATOM 560 N LYS 69 -6.290 -12.838 -3.463 1.00 0.00 ATOM 561 CA LYS 69 -7.402 -11.945 -3.190 1.00 0.00 ATOM 562 CB LYS 69 -7.619 -11.788 -1.683 1.00 0.00 ATOM 563 CG LYS 69 -8.291 -12.980 -1.014 1.00 0.00 ATOM 564 CD LYS 69 -9.662 -13.264 -1.622 1.00 0.00 ATOM 565 CE LYS 69 -10.558 -12.020 -1.635 1.00 0.00 ATOM 566 NZ LYS 69 -10.808 -11.480 -0.263 1.00 0.00 ATOM 567 O LYS 69 -8.127 -9.940 -4.285 1.00 0.00 ATOM 568 C LYS 69 -7.210 -10.535 -3.736 1.00 0.00 TER END