PFRMAT TS TARGET T0188 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 MET 1 -1.314 11.533 5.665 1.00 0.00 ATOM 2 CA MET 1 -1.523 11.348 7.125 1.00 0.00 ATOM 3 CB MET 1 -2.902 11.831 7.540 1.00 0.00 ATOM 4 CG MET 1 -2.979 13.334 7.692 1.00 0.00 ATOM 5 SD MET 1 -4.612 13.832 8.191 1.00 0.00 ATOM 6 CE MET 1 -5.257 14.349 6.631 1.00 0.00 ATOM 7 O MET 1 -0.595 9.681 8.565 1.00 0.00 ATOM 8 C MET 1 -1.294 9.912 7.576 1.00 0.00 ATOM 9 N ILE 2 -1.865 8.943 6.849 1.00 0.00 ATOM 10 CA ILE 2 -1.691 7.545 7.197 1.00 0.00 ATOM 11 CB ILE 2 -2.846 7.001 8.062 1.00 0.00 ATOM 12 CG1 ILE 2 -3.012 7.795 9.382 1.00 0.00 ATOM 13 CG2 ILE 2 -2.555 5.548 8.407 1.00 0.00 ATOM 14 CD1 ILE 2 -4.108 8.900 9.357 1.00 0.00 ATOM 15 O ILE 2 -2.612 6.762 5.124 1.00 0.00 ATOM 16 C ILE 2 -1.735 6.640 5.976 1.00 0.00 ATOM 17 N ILE 3 -0.787 5.733 5.892 1.00 0.00 ATOM 18 CA ILE 3 -0.660 4.774 4.800 1.00 0.00 ATOM 19 CB ILE 3 0.744 4.781 4.183 1.00 0.00 ATOM 20 CG1 ILE 3 1.811 4.532 5.250 1.00 0.00 ATOM 21 CG2 ILE 3 0.982 6.102 3.481 1.00 0.00 ATOM 22 CD1 ILE 3 3.200 4.317 4.678 1.00 0.00 ATOM 23 O ILE 3 -0.657 3.166 6.593 1.00 0.00 ATOM 24 C ILE 3 -0.991 3.422 5.439 1.00 0.00 ATOM 25 N ALA 4 -1.664 2.656 4.606 1.00 0.00 ATOM 26 CA ALA 4 -2.000 1.254 4.975 1.00 0.00 ATOM 27 CB ALA 4 -3.558 1.159 5.148 1.00 0.00 ATOM 28 O ALA 4 -1.481 0.354 2.815 1.00 0.00 ATOM 29 C ALA 4 -1.299 0.291 4.015 1.00 0.00 ATOM 30 N ILE 5 -0.484 -0.618 4.515 1.00 0.00 ATOM 31 CA ILE 5 0.215 -1.566 3.655 1.00 0.00 ATOM 32 CB ILE 5 1.124 -2.450 4.505 1.00 0.00 ATOM 33 CG1 ILE 5 2.256 -1.649 5.119 1.00 0.00 ATOM 34 CG2 ILE 5 1.665 -3.530 3.554 1.00 0.00 ATOM 35 CD1 ILE 5 2.897 -2.283 6.345 1.00 0.00 ATOM 36 O ILE 5 -1.533 -3.212 3.813 1.00 0.00 ATOM 37 C ILE 5 -0.781 -2.573 3.076 1.00 0.00 ATOM 38 N PRO 6 -0.782 -2.712 1.740 1.00 0.00 ATOM 39 CA PRO 6 -1.677 -3.625 1.048 1.00 0.00 ATOM 40 CB PRO 6 -1.155 -3.481 -0.405 1.00 0.00 ATOM 41 CG PRO 6 0.350 -3.234 -0.344 1.00 0.00 ATOM 42 CD PRO 6 0.427 -2.419 0.956 1.00 0.00 ATOM 43 O PRO 6 -0.353 -5.457 1.825 1.00 0.00 ATOM 44 C PRO 6 -1.477 -5.056 1.519 1.00 0.00 ATOM 45 N VAL 7 -2.558 -5.809 1.560 1.00 0.00 ATOM 46 CA VAL 7 -2.476 -7.227 2.007 1.00 0.00 ATOM 47 CB VAL 7 -2.164 -8.348 1.313 1.00 0.00 ATOM 48 CG1 VAL 7 -2.146 -9.583 2.196 1.00 0.00 ATOM 49 CG2 VAL 7 -3.117 -8.566 0.127 1.00 0.00 ATOM 50 O VAL 7 -2.385 -7.085 4.397 1.00 0.00 ATOM 51 C VAL 7 -1.775 -7.298 3.367 1.00 0.00 ATOM 52 N SER 8 -0.503 -7.595 3.386 1.00 0.00 ATOM 53 CA SER 8 0.220 -7.676 4.685 1.00 0.00 ATOM 54 CB SER 8 0.170 -6.319 5.385 1.00 0.00 ATOM 55 OG SER 8 0.895 -5.369 4.614 1.00 0.00 ATOM 56 O SER 8 -0.207 -8.792 6.764 1.00 0.00 ATOM 57 C SER 8 -0.441 -8.734 5.572 1.00 0.00 ATOM 58 N GLU 9 -1.260 -9.573 5.000 1.00 0.00 ATOM 59 CA GLU 9 -1.933 -10.628 5.809 1.00 0.00 ATOM 60 CB GLU 9 -2.152 -11.846 5.995 1.00 0.00 ATOM 61 CG GLU 9 -3.302 -12.336 6.886 1.00 0.00 ATOM 62 CD GLU 9 -3.357 -13.886 7.102 1.00 0.00 ATOM 63 OE1 GLU 9 -2.453 -14.482 7.610 1.00 0.00 ATOM 64 OE2 GLU 9 -4.429 -14.290 6.679 1.00 0.00 ATOM 65 O GLU 9 -3.057 -8.850 6.958 1.00 0.00 ATOM 66 C GLU 9 -2.633 -9.987 7.009 1.00 0.00 ATOM 67 N ASN 10 -2.762 -10.710 8.088 1.00 0.00 ATOM 68 CA ASN 10 -3.442 -10.141 9.285 1.00 0.00 ATOM 69 CB ASN 10 -4.577 -11.149 9.742 1.00 0.00 ATOM 70 CG ASN 10 -5.545 -10.581 10.745 1.00 0.00 ATOM 71 ND2 ASN 10 -5.318 -10.918 12.022 1.00 0.00 ATOM 72 OD1 ASN 10 -6.434 -9.774 10.406 1.00 0.00 ATOM 73 O ASN 10 -2.865 -9.826 11.589 1.00 0.00 ATOM 74 C ASN 10 -2.572 -10.344 10.529 1.00 0.00 ATOM 75 N ARG 11 -1.492 -11.100 10.435 1.00 0.00 ATOM 76 CA ARG 11 -0.639 -11.321 11.600 1.00 0.00 ATOM 77 CB ARG 11 0.239 -12.581 11.340 1.00 0.00 ATOM 78 CG ARG 11 -0.548 -13.845 11.035 1.00 0.00 ATOM 79 CD ARG 11 -0.004 -15.009 11.839 1.00 0.00 ATOM 80 NE ARG 11 1.449 -15.107 11.728 1.00 0.00 ATOM 81 CZ ARG 11 2.201 -15.931 12.451 1.00 0.00 ATOM 82 NH1 ARG 11 3.519 -15.947 12.281 1.00 0.00 ATOM 83 NH2 ARG 11 1.642 -16.738 13.345 1.00 0.00 ATOM 84 O ARG 11 0.475 -9.920 13.194 1.00 0.00 ATOM 85 C ARG 11 0.049 -10.038 12.044 1.00 0.00 ATOM 86 N GLY 12 0.145 -9.075 11.132 1.00 0.00 ATOM 87 CA GLY 12 0.791 -7.812 11.453 1.00 0.00 ATOM 88 O GLY 12 2.985 -6.858 11.299 1.00 0.00 ATOM 89 C GLY 12 2.248 -7.812 11.046 1.00 0.00 ATOM 90 N LYS 13 1.936 -11.674 10.961 1.00 0.00 ATOM 91 CA LYS 13 3.355 -11.417 10.584 1.00 0.00 ATOM 92 CB LYS 13 4.288 -11.731 11.774 1.00 0.00 ATOM 93 CG LYS 13 3.978 -10.738 12.896 1.00 0.00 ATOM 94 CD LYS 13 4.791 -11.070 14.152 1.00 0.00 ATOM 95 CE LYS 13 4.010 -10.505 15.340 1.00 0.00 ATOM 96 NZ LYS 13 3.488 -9.133 15.004 1.00 0.00 ATOM 97 O LYS 13 5.026 -12.811 9.582 1.00 0.00 ATOM 98 C LYS 13 3.850 -12.523 9.648 1.00 0.00 ATOM 99 N ASP 14 2.959 -13.144 8.926 1.00 0.00 ATOM 100 CA ASP 14 3.381 -14.233 7.997 1.00 0.00 ATOM 101 CB ASP 14 2.624 -15.502 8.207 1.00 0.00 ATOM 102 CG ASP 14 3.280 -16.687 7.485 1.00 0.00 ATOM 103 OD1 ASP 14 4.486 -16.957 7.710 1.00 0.00 ATOM 104 OD2 ASP 14 2.573 -17.364 6.707 1.00 0.00 ATOM 105 O ASP 14 4.099 -14.016 5.721 1.00 0.00 ATOM 106 C ASP 14 3.251 -13.753 6.550 1.00 0.00 ATOM 107 N SER 15 2.196 -13.050 6.242 1.00 0.00 ATOM 108 CA SER 15 2.011 -12.552 4.850 1.00 0.00 ATOM 109 CB SER 15 0.652 -12.318 4.532 1.00 0.00 ATOM 110 OG SER 15 -0.191 -11.740 5.509 1.00 0.00 ATOM 111 O SER 15 2.486 -10.205 4.748 1.00 0.00 ATOM 112 C SER 15 2.909 -11.338 4.618 1.00 0.00 ATOM 113 N PRO 16 4.145 -11.566 4.277 1.00 0.00 ATOM 114 CA PRO 16 5.077 -10.428 4.035 1.00 0.00 ATOM 115 CB PRO 16 6.510 -10.958 3.958 1.00 0.00 ATOM 116 CG PRO 16 6.606 -12.008 2.851 1.00 0.00 ATOM 117 CD PRO 16 7.608 -11.547 1.793 1.00 0.00 ATOM 118 O PRO 16 5.298 -10.013 1.685 1.00 0.00 ATOM 119 C PRO 16 4.716 -9.743 2.718 1.00 0.00 ATOM 120 N ILE 17 3.760 -8.856 2.746 1.00 0.00 ATOM 121 CA ILE 17 3.353 -8.146 1.499 1.00 0.00 ATOM 122 CB ILE 17 4.394 -6.958 1.320 1.00 0.00 ATOM 123 CG1 ILE 17 4.287 -5.905 2.451 1.00 0.00 ATOM 124 CG2 ILE 17 4.267 -6.294 -0.022 1.00 0.00 ATOM 125 CD1 ILE 17 5.542 -5.024 2.535 1.00 0.00 ATOM 126 O ILE 17 2.300 -8.781 -0.559 1.00 0.00 ATOM 127 C ILE 17 2.638 -9.119 0.556 1.00 0.00 ATOM 128 N SER 18 2.402 -10.325 1.000 1.00 0.00 ATOM 129 CA SER 18 1.708 -11.317 0.130 1.00 0.00 ATOM 130 CB SER 18 0.370 -11.046 -0.199 1.00 0.00 ATOM 131 OG SER 18 0.032 -11.888 -1.297 1.00 0.00 ATOM 132 O SER 18 3.384 -12.102 -1.394 1.00 0.00 ATOM 133 C SER 18 2.409 -11.392 -1.230 1.00 0.00 ATOM 134 N GLU 19 1.927 -10.672 -2.208 1.00 0.00 ATOM 135 CA GLU 19 2.572 -10.716 -3.552 1.00 0.00 ATOM 136 CB GLU 19 1.780 -12.023 -4.190 1.00 0.00 ATOM 137 CG GLU 19 1.678 -13.251 -3.303 1.00 0.00 ATOM 138 CD GLU 19 0.701 -14.279 -3.843 1.00 0.00 ATOM 139 OE1 GLU 19 0.855 -14.695 -5.012 1.00 0.00 ATOM 140 OE2 GLU 19 -0.221 -14.673 -3.098 1.00 0.00 ATOM 141 O GLU 19 2.996 -8.536 -4.457 1.00 0.00 ATOM 142 C GLU 19 2.211 -9.455 -4.340 1.00 0.00 ATOM 143 N HIS 20 1.025 -9.404 -4.886 1.00 0.00 ATOM 144 CA HIS 20 0.618 -8.203 -5.669 1.00 0.00 ATOM 145 CB HIS 20 -0.109 -8.805 -6.956 1.00 0.00 ATOM 146 CG HIS 20 0.893 -9.369 -7.948 1.00 0.00 ATOM 147 CD2 HIS 20 1.530 -8.787 -8.982 1.00 0.00 ATOM 148 ND1 HIS 20 1.334 -10.702 -7.920 1.00 0.00 ATOM 149 CE1 HIS 20 2.194 -10.867 -8.904 1.00 0.00 ATOM 150 NE2 HIS 20 2.322 -9.737 -9.542 1.00 0.00 ATOM 151 O HIS 20 -1.118 -8.028 -4.026 1.00 0.00 ATOM 152 C HIS 20 -0.576 -7.530 -4.992 1.00 0.00 ATOM 153 N PHE 21 -0.988 -6.395 -5.488 1.00 0.00 ATOM 154 CA PHE 21 -2.144 -5.686 -4.871 1.00 0.00 ATOM 155 CB PHE 21 -1.712 -4.275 -4.459 1.00 0.00 ATOM 156 CG PHE 21 -2.929 -3.434 -4.156 1.00 0.00 ATOM 157 CD1 PHE 21 -2.932 -2.068 -4.475 1.00 0.00 ATOM 158 CD2 PHE 21 -4.055 -4.015 -3.556 1.00 0.00 ATOM 159 CE1 PHE 21 -4.060 -1.286 -4.194 1.00 0.00 ATOM 160 CE2 PHE 21 -5.183 -3.232 -3.276 1.00 0.00 ATOM 161 CZ PHE 21 -5.185 -1.866 -3.595 1.00 0.00 ATOM 162 O PHE 21 -3.251 -4.811 -6.812 1.00 0.00 ATOM 163 C PHE 21 -3.288 -5.598 -5.887 1.00 0.00 ATOM 164 N GLY 22 -4.305 -6.398 -5.720 1.00 0.00 ATOM 165 CA GLY 22 -5.450 -6.359 -6.672 1.00 0.00 ATOM 166 O GLY 22 -7.652 -5.762 -5.935 1.00 0.00 ATOM 167 C GLY 22 -6.757 -6.582 -5.908 1.00 0.00 ATOM 168 N ARG 23 -6.870 -7.687 -5.222 1.00 0.00 ATOM 169 CA ARG 23 -8.114 -7.965 -4.452 1.00 0.00 ATOM 170 CB ARG 23 -8.869 -9.127 -5.099 1.00 0.00 ATOM 171 CG ARG 23 -9.229 -8.763 -6.541 1.00 0.00 ATOM 172 CD ARG 23 -9.200 -10.022 -7.408 1.00 0.00 ATOM 173 NE ARG 23 -10.593 -10.509 -7.625 1.00 0.00 ATOM 174 CZ ARG 23 -11.101 -10.520 -8.827 1.00 0.00 ATOM 175 NH1 ARG 23 -10.730 -9.623 -9.701 1.00 0.00 ATOM 176 NH2 ARG 23 -11.978 -11.429 -9.156 1.00 0.00 ATOM 177 O ARG 23 -8.534 -8.899 -2.283 1.00 0.00 ATOM 178 C ARG 23 -7.744 -8.333 -3.014 1.00 0.00 ATOM 179 N ALA 24 -6.544 -8.021 -2.605 1.00 0.00 ATOM 180 CA ALA 24 -6.113 -8.352 -1.219 1.00 0.00 ATOM 181 CB ALA 24 -4.807 -7.619 -0.907 1.00 0.00 ATOM 182 O ALA 24 -7.341 -6.728 0.031 1.00 0.00 ATOM 183 C ALA 24 -7.190 -7.906 -0.220 1.00 0.00 ATOM 184 N PRO 25 -7.903 -8.862 0.324 1.00 0.00 ATOM 185 CA PRO 25 -8.968 -8.598 1.308 1.00 0.00 ATOM 186 CB PRO 25 -9.808 -9.876 1.278 1.00 0.00 ATOM 187 CG PRO 25 -8.882 -10.994 0.740 1.00 0.00 ATOM 188 CD PRO 25 -7.724 -10.293 0.004 1.00 0.00 ATOM 189 O PRO 25 -8.876 -8.877 3.689 1.00 0.00 ATOM 190 C PRO 25 -8.367 -8.382 2.703 1.00 0.00 ATOM 191 N TYR 26 -7.286 -7.654 2.795 1.00 0.00 ATOM 192 CA TYR 26 -6.658 -7.418 4.125 1.00 0.00 ATOM 193 CB TYR 26 -5.818 -8.638 4.513 1.00 0.00 ATOM 194 CG TYR 26 -6.643 -9.570 5.368 1.00 0.00 ATOM 195 CD1 TYR 26 -6.771 -9.333 6.744 1.00 0.00 ATOM 196 CD2 TYR 26 -7.283 -10.674 4.786 1.00 0.00 ATOM 197 CE1 TYR 26 -7.537 -10.198 7.536 1.00 0.00 ATOM 198 CE2 TYR 26 -8.048 -11.539 5.579 1.00 0.00 ATOM 199 CZ TYR 26 -8.174 -11.301 6.954 1.00 0.00 ATOM 200 OH TYR 26 -8.927 -12.154 7.735 1.00 0.00 ATOM 201 O TYR 26 -4.547 -6.282 4.125 1.00 0.00 ATOM 202 C TYR 26 -5.757 -6.184 4.056 1.00 0.00 ATOM 203 N PHE 27 -6.335 -5.021 3.923 1.00 0.00 ATOM 204 CA PHE 27 -5.508 -3.783 3.852 1.00 0.00 ATOM 205 CB PHE 27 -5.911 -2.946 2.546 1.00 0.00 ATOM 206 CG PHE 27 -7.228 -2.226 2.724 1.00 0.00 ATOM 207 CD1 PHE 27 -8.447 -2.918 2.627 1.00 0.00 ATOM 208 CD2 PHE 27 -7.259 -0.856 3.002 1.00 0.00 ATOM 209 CE1 PHE 27 -9.669 -2.269 2.815 1.00 0.00 ATOM 210 CE2 PHE 27 -8.480 -0.197 3.189 1.00 0.00 ATOM 211 CZ PHE 27 -9.683 -0.909 3.096 1.00 0.00 ATOM 212 O PHE 27 -6.057 -2.901 6.012 1.00 0.00 ATOM 213 C PHE 27 -5.186 -3.310 5.273 1.00 0.00 ATOM 214 N ALA 28 -3.941 -3.370 5.660 1.00 0.00 ATOM 215 CA ALA 28 -3.569 -2.931 7.034 1.00 0.00 ATOM 216 CB ALA 28 -2.216 -3.537 7.413 1.00 0.00 ATOM 217 O ALA 28 -2.904 -0.780 6.210 1.00 0.00 ATOM 218 C ALA 28 -3.474 -1.405 7.083 1.00 0.00 ATOM 219 N PHE 29 -4.654 -0.708 7.345 1.00 0.00 ATOM 220 CA PHE 29 -4.604 0.777 7.431 1.00 0.00 ATOM 221 CB PHE 29 -6.009 1.340 7.587 1.00 0.00 ATOM 222 CG PHE 29 -6.773 1.513 6.272 1.00 0.00 ATOM 223 CD1 PHE 29 -6.233 1.116 5.057 1.00 0.00 ATOM 224 CD2 PHE 29 -8.004 2.123 6.294 1.00 0.00 ATOM 225 CE1 PHE 29 -6.918 1.340 3.874 1.00 0.00 ATOM 226 CE2 PHE 29 -8.688 2.346 5.108 1.00 0.00 ATOM 227 CZ PHE 29 -8.145 1.952 3.905 1.00 0.00 ATOM 228 O PHE 29 -3.972 0.606 9.736 1.00 0.00 ATOM 229 C PHE 29 -3.822 1.188 8.680 1.00 0.00 ATOM 230 N VAL 30 -2.988 2.184 8.565 1.00 0.00 ATOM 231 CA VAL 30 -2.195 2.631 9.743 1.00 0.00 ATOM 232 CB VAL 30 -0.732 2.226 9.553 1.00 0.00 ATOM 233 CG1 VAL 30 0.114 2.808 10.688 1.00 0.00 ATOM 234 CG2 VAL 30 -0.621 0.700 9.570 1.00 0.00 ATOM 235 O VAL 30 -1.667 4.889 9.139 1.00 0.00 ATOM 236 C VAL 30 -2.291 4.152 9.874 1.00 0.00 ATOM 237 N LYS 31 -3.074 4.629 10.806 1.00 0.00 ATOM 238 CA LYS 31 -3.213 6.103 10.981 1.00 0.00 ATOM 239 CB LYS 31 -4.567 6.291 11.755 1.00 0.00 ATOM 240 CG LYS 31 -5.782 5.999 10.878 1.00 0.00 ATOM 241 CD LYS 31 -7.082 6.232 11.625 1.00 0.00 ATOM 242 CE LYS 31 -8.283 5.886 10.757 1.00 0.00 ATOM 243 NZ LYS 31 -8.348 6.725 9.527 1.00 0.00 ATOM 244 O LYS 31 -2.236 6.702 13.085 1.00 0.00 ATOM 245 C LYS 31 -2.089 6.619 11.881 1.00 0.00 ATOM 246 N VAL 32 -0.972 6.972 11.307 1.00 0.00 ATOM 247 CA VAL 32 0.158 7.487 12.132 1.00 0.00 ATOM 248 CB VAL 32 1.517 7.110 11.444 1.00 0.00 ATOM 249 CG1 VAL 32 2.700 7.423 12.395 1.00 0.00 ATOM 250 CG2 VAL 32 1.530 5.644 11.053 1.00 0.00 ATOM 251 O VAL 32 -0.510 9.716 11.562 1.00 0.00 ATOM 252 C VAL 32 -0.054 8.977 12.410 1.00 0.00 ATOM 253 N LYS 33 0.273 9.425 13.591 1.00 0.00 ATOM 254 CA LYS 33 0.091 10.868 13.916 1.00 0.00 ATOM 255 CB LYS 33 -0.821 11.007 15.135 1.00 0.00 ATOM 256 CG LYS 33 -1.570 12.336 15.062 1.00 0.00 ATOM 257 CD LYS 33 -2.343 12.416 13.745 1.00 0.00 ATOM 258 CE LYS 33 -3.714 13.050 13.994 1.00 0.00 ATOM 259 NZ LYS 33 -4.650 12.649 12.906 1.00 0.00 ATOM 260 O LYS 33 1.977 12.270 13.439 1.00 0.00 ATOM 261 C LYS 33 1.452 11.499 14.219 1.00 0.00 ATOM 262 N ASN 34 2.028 11.180 15.345 1.00 0.00 ATOM 263 CA ASN 34 3.354 11.765 15.695 1.00 0.00 ATOM 264 CB ASN 34 3.390 12.544 16.969 1.00 0.00 ATOM 265 CG ASN 34 2.284 13.576 17.086 1.00 0.00 ATOM 266 ND2 ASN 34 2.384 14.638 16.289 1.00 0.00 ATOM 267 OD1 ASN 34 1.344 13.426 17.884 1.00 0.00 ATOM 268 O ASN 34 5.088 10.390 16.617 1.00 0.00 ATOM 269 C ASN 34 4.420 10.668 15.642 1.00 0.00 ATOM 270 N ASN 35 4.586 10.040 14.509 1.00 0.00 ATOM 271 CA ASN 35 5.610 8.963 14.393 1.00 0.00 ATOM 272 CB ASN 35 6.929 9.448 15.049 1.00 0.00 ATOM 273 CG ASN 35 7.442 10.695 14.336 1.00 0.00 ATOM 274 ND2 ASN 35 7.632 11.762 15.099 1.00 0.00 ATOM 275 OD1 ASN 35 7.632 10.670 13.124 1.00 0.00 ATOM 276 O ASN 35 6.012 6.906 15.560 1.00 0.00 ATOM 277 C ASN 35 5.220 7.792 15.299 1.00 0.00 ATOM 278 N ALA 36 4.001 7.763 15.793 1.00 0.00 ATOM 279 CA ALA 36 3.563 6.674 16.666 1.00 0.00 ATOM 280 CB ALA 36 3.652 7.114 18.107 1.00 0.00 ATOM 281 O ALA 36 1.248 7.104 16.258 1.00 0.00 ATOM 282 C ALA 36 2.148 6.241 16.362 1.00 0.00 ATOM 283 N ILE 37 2.172 5.005 15.585 1.00 0.00 ATOM 284 CA ILE 37 0.877 4.447 15.107 1.00 0.00 ATOM 285 CB ILE 37 0.988 2.948 14.759 1.00 0.00 ATOM 286 CG1 ILE 37 2.037 2.729 13.672 1.00 0.00 ATOM 287 CG2 ILE 37 -0.367 2.418 14.266 1.00 0.00 ATOM 288 CD1 ILE 37 2.254 1.281 13.324 1.00 0.00 ATOM 289 O ILE 37 -0.123 4.064 17.252 1.00 0.00 ATOM 290 C ILE 37 -0.192 4.639 16.184 1.00 0.00 ATOM 291 N ALA 38 -1.185 5.442 15.910 1.00 0.00 ATOM 292 CA ALA 38 -2.260 5.672 16.917 1.00 0.00 ATOM 293 CB ALA 38 -2.712 7.131 16.855 1.00 0.00 ATOM 294 O ALA 38 -4.370 4.643 17.395 1.00 0.00 ATOM 295 C ALA 38 -3.447 4.757 16.613 1.00 0.00 ATOM 296 N ASP 39 -3.431 4.103 15.484 1.00 0.00 ATOM 297 CA ASP 39 -4.560 3.196 15.132 1.00 0.00 ATOM 298 CB ASP 39 -5.670 4.071 14.477 1.00 0.00 ATOM 299 CG ASP 39 -6.905 3.265 14.071 1.00 0.00 ATOM 300 OD1 ASP 39 -6.750 2.078 13.722 1.00 0.00 ATOM 301 OD2 ASP 39 -8.007 3.844 14.094 1.00 0.00 ATOM 302 O ASP 39 -3.713 2.570 12.979 1.00 0.00 ATOM 303 C ASP 39 -4.101 2.197 14.069 1.00 0.00 ATOM 304 N ILE 40 -4.148 0.931 14.375 1.00 0.00 ATOM 305 CA ILE 40 -3.720 -0.092 13.383 1.00 0.00 ATOM 306 CB ILE 40 -2.549 -0.774 13.311 1.00 0.00 ATOM 307 CG1 ILE 40 -1.497 -0.235 14.254 1.00 0.00 ATOM 308 CG2 ILE 40 -2.254 -0.879 11.774 1.00 0.00 ATOM 309 CD1 ILE 40 -1.688 -0.726 15.646 1.00 0.00 ATOM 310 O ILE 40 -5.212 -1.896 13.896 1.00 0.00 ATOM 311 C ILE 40 -4.892 -1.031 13.105 1.00 0.00 ATOM 312 N SER 41 -5.554 -0.868 11.987 1.00 0.00 ATOM 313 CA SER 41 -6.689 -1.723 11.671 1.00 0.00 ATOM 314 CB SER 41 -7.959 -1.136 12.281 1.00 0.00 ATOM 315 OG SER 41 -8.285 0.106 11.658 1.00 0.00 ATOM 316 O SER 41 -6.297 -1.089 9.420 1.00 0.00 ATOM 317 C SER 41 -6.848 -1.868 10.182 1.00 0.00 ATOM 318 N VAL 42 -7.583 -2.907 9.783 1.00 0.00 ATOM 319 CA VAL 42 -7.899 -3.075 8.358 1.00 0.00 ATOM 320 CB VAL 42 -7.097 -4.231 7.764 1.00 0.00 ATOM 321 CG1 VAL 42 -7.123 -5.490 8.594 1.00 0.00 ATOM 322 CG2 VAL 42 -7.578 -4.486 6.359 1.00 0.00 ATOM 323 O VAL 42 -9.766 -4.502 8.876 1.00 0.00 ATOM 324 C VAL 42 -9.314 -3.650 8.129 1.00 0.00 ATOM 325 N GLU 43 -9.996 -3.149 7.108 1.00 0.00 ATOM 326 CA GLU 43 -11.273 -3.678 6.701 1.00 0.00 ATOM 327 CB GLU 43 -12.355 -2.618 6.931 1.00 0.00 ATOM 328 CG GLU 43 -13.767 -3.216 6.945 1.00 0.00 ATOM 329 CD GLU 43 -14.094 -3.971 8.219 1.00 0.00 ATOM 330 OE1 GLU 43 -13.298 -3.991 9.199 1.00 0.00 ATOM 331 OE2 GLU 43 -15.199 -4.571 8.270 1.00 0.00 ATOM 332 O GLU 43 -10.754 -3.318 4.409 1.00 0.00 ATOM 333 C GLU 43 -11.164 -4.105 5.251 1.00 0.00 ATOM 334 N GLU 44 -11.580 -5.304 4.948 1.00 0.00 ATOM 335 CA GLU 44 -11.560 -5.750 3.526 1.00 0.00 ATOM 336 CB GLU 44 -11.165 -7.227 3.461 1.00 0.00 ATOM 337 CG GLU 44 -11.983 -8.022 4.480 1.00 0.00 ATOM 338 CD GLU 44 -11.076 -8.482 5.620 1.00 0.00 ATOM 339 OE1 GLU 44 -10.717 -7.650 6.438 1.00 0.00 ATOM 340 OE2 GLU 44 -10.751 -9.658 5.657 1.00 0.00 ATOM 341 O GLU 44 -13.953 -5.648 3.600 1.00 0.00 ATOM 342 C GLU 44 -12.952 -5.571 2.917 1.00 0.00 ATOM 343 N ASN 45 -13.024 -5.334 1.636 1.00 0.00 ATOM 344 CA ASN 45 -14.352 -5.148 0.987 1.00 0.00 ATOM 345 CB ASN 45 -14.196 -4.689 -0.441 1.00 0.00 ATOM 346 CG ASN 45 -15.481 -4.117 -1.032 1.00 0.00 ATOM 347 ND2 ASN 45 -15.638 -4.301 -2.338 1.00 0.00 ATOM 348 OD1 ASN 45 -16.271 -3.544 -0.302 1.00 0.00 ATOM 349 O ASN 45 -14.536 -7.532 1.061 1.00 0.00 ATOM 350 C ASN 45 -15.126 -6.471 1.027 1.00 0.00 ATOM 351 N PRO 46 -16.440 -6.381 1.020 1.00 0.00 ATOM 352 CA PRO 46 -17.319 -7.521 1.053 1.00 0.00 ATOM 353 CB PRO 46 -18.710 -6.984 1.489 1.00 0.00 ATOM 354 CG PRO 46 -18.610 -5.566 0.984 1.00 0.00 ATOM 355 CD PRO 46 -17.150 -5.107 1.162 1.00 0.00 ATOM 356 O PRO 46 -18.028 -9.249 -0.441 1.00 0.00 ATOM 357 C PRO 46 -17.431 -8.188 -0.328 1.00 0.00 ATOM 358 N LEU 47 -16.807 -7.546 -1.297 1.00 0.00 ATOM 359 CA LEU 47 -16.814 -8.085 -2.687 1.00 0.00 ATOM 360 CB LEU 47 -18.048 -7.981 -3.402 1.00 0.00 ATOM 361 CG LEU 47 -19.116 -8.987 -2.981 1.00 0.00 ATOM 362 CD1 LEU 47 -20.413 -8.697 -3.715 1.00 0.00 ATOM 363 CD2 LEU 47 -18.658 -10.420 -3.256 1.00 0.00 ATOM 364 O LEU 47 -14.868 -7.511 -3.966 1.00 0.00 ATOM 365 C LEU 47 -15.373 -8.273 -3.165 1.00 0.00 ATOM 366 N ALA 48 -14.704 -9.284 -2.682 1.00 0.00 ATOM 367 CA ALA 48 -13.294 -9.518 -3.111 1.00 0.00 ATOM 368 CB ALA 48 -12.622 -10.496 -2.142 1.00 0.00 ATOM 369 O ALA 48 -12.257 -10.136 -5.180 1.00 0.00 ATOM 370 C ALA 48 -13.277 -10.108 -4.522 1.00 0.00 ATOM 371 N GLN 49 -14.398 -10.581 -4.993 1.00 0.00 ATOM 372 CA GLN 49 -14.444 -11.168 -6.361 1.00 0.00 ATOM 373 CB GLN 49 -14.700 -12.605 -6.350 1.00 0.00 ATOM 374 CG GLN 49 -15.886 -13.175 -5.582 1.00 0.00 ATOM 375 CD GLN 49 -15.523 -13.604 -4.173 1.00 0.00 ATOM 376 OE1 GLN 49 -14.623 -13.038 -3.550 1.00 0.00 ATOM 377 NE2 GLN 49 -16.231 -14.606 -3.658 1.00 0.00 ATOM 378 O GLN 49 -16.434 -10.843 -7.656 1.00 0.00 ATOM 379 C GLN 49 -15.402 -10.358 -7.235 1.00 0.00 ATOM 380 N ASP 50 -15.072 -9.125 -7.512 1.00 0.00 ATOM 381 CA ASP 50 -15.966 -8.287 -8.357 1.00 0.00 ATOM 382 CB ASP 50 -17.359 -8.170 -7.905 1.00 0.00 ATOM 383 CG ASP 50 -18.101 -9.490 -7.916 1.00 0.00 ATOM 384 OD1 ASP 50 -17.577 -10.466 -8.502 1.00 0.00 ATOM 385 OD2 ASP 50 -19.212 -9.539 -7.347 1.00 0.00 ATOM 386 O ASP 50 -15.194 -6.414 -9.634 1.00 0.00 ATOM 387 C ASP 50 -15.350 -6.899 -8.533 1.00 0.00 ATOM 388 N HIS 51 -14.979 -6.219 -7.483 1.00 0.00 ATOM 389 CA HIS 51 -14.375 -4.877 -7.520 1.00 0.00 ATOM 390 CB HIS 51 -15.264 -3.833 -6.847 1.00 0.00 ATOM 391 CG HIS 51 -16.687 -4.089 -7.297 1.00 0.00 ATOM 392 CD2 HIS 51 -17.660 -4.844 -6.722 1.00 0.00 ATOM 393 ND1 HIS 51 -17.194 -3.588 -8.468 1.00 0.00 ATOM 394 CE1 HIS 51 -18.468 -4.000 -8.630 1.00 0.00 ATOM 395 NE2 HIS 51 -18.736 -4.736 -7.561 1.00 0.00 ATOM 396 O HIS 51 -12.909 -5.209 -5.630 1.00 0.00 ATOM 397 C HIS 51 -13.012 -4.915 -6.851 1.00 0.00 ATOM 398 N VAL 52 -11.990 -4.702 -7.697 1.00 0.00 ATOM 399 CA VAL 52 -10.646 -4.931 -7.242 1.00 0.00 ATOM 400 CB VAL 52 -9.703 -5.657 -8.304 1.00 0.00 ATOM 401 CG1 VAL 52 -10.380 -6.892 -8.890 1.00 0.00 ATOM 402 CG2 VAL 52 -9.285 -4.672 -9.376 1.00 0.00 ATOM 403 O VAL 52 -10.401 -2.565 -7.412 1.00 0.00 ATOM 404 C VAL 52 -10.059 -3.590 -6.821 1.00 0.00 ATOM 405 N HIS 53 -9.188 -3.638 -5.790 1.00 0.00 ATOM 406 CA HIS 53 -8.529 -2.432 -5.287 1.00 0.00 ATOM 407 CB HIS 53 -7.624 -2.661 -4.114 1.00 0.00 ATOM 408 CG HIS 53 -8.349 -3.204 -2.920 1.00 0.00 ATOM 409 CD2 HIS 53 -8.147 -4.328 -2.191 1.00 0.00 ATOM 410 ND1 HIS 53 -9.476 -2.606 -2.393 1.00 0.00 ATOM 411 CE1 HIS 53 -9.943 -3.345 -1.402 1.00 0.00 ATOM 412 NE2 HIS 53 -9.156 -4.394 -1.260 1.00 0.00 ATOM 413 O HIS 53 -7.620 -0.633 -6.572 1.00 0.00 ATOM 414 C HIS 53 -7.709 -1.845 -6.437 1.00 0.00 ATOM 415 N GLY 54 -7.108 -2.715 -7.254 1.00 0.00 ATOM 416 CA GLY 54 -6.345 -2.273 -8.412 1.00 0.00 ATOM 417 O GLY 54 -6.943 -0.540 -9.966 1.00 0.00 ATOM 418 C GLY 54 -7.259 -1.606 -9.441 1.00 0.00 ATOM 419 N ALA 55 -8.413 -2.217 -9.700 1.00 0.00 ATOM 420 CA ALA 55 -9.379 -1.669 -10.639 1.00 0.00 ATOM 421 CB ALA 55 -10.526 -2.654 -10.990 1.00 0.00 ATOM 422 O ALA 55 -10.087 0.609 -10.885 1.00 0.00 ATOM 423 C ALA 55 -9.907 -0.338 -10.123 1.00 0.00 ATOM 424 N VAL 56 -10.163 -0.254 -8.843 1.00 0.00 ATOM 425 CA VAL 56 -10.668 0.952 -8.176 1.00 0.00 ATOM 426 CB VAL 56 -12.075 0.595 -7.582 1.00 0.00 ATOM 427 CG1 VAL 56 -12.784 1.798 -6.962 1.00 0.00 ATOM 428 CG2 VAL 56 -12.945 -0.139 -8.571 1.00 0.00 ATOM 429 O VAL 56 -9.940 1.208 -5.902 1.00 0.00 ATOM 430 C VAL 56 -9.726 1.460 -7.092 1.00 0.00 ATOM 431 N PRO 57 -8.725 2.210 -7.494 1.00 0.00 ATOM 432 CA PRO 57 -7.763 2.744 -6.530 1.00 0.00 ATOM 433 CB PRO 57 -6.526 3.056 -7.392 1.00 0.00 ATOM 434 CG PRO 57 -6.854 2.589 -8.764 1.00 0.00 ATOM 435 CD PRO 57 -8.384 2.565 -8.872 1.00 0.00 ATOM 436 O PRO 57 -7.549 4.297 -4.707 1.00 0.00 ATOM 437 C PRO 57 -8.191 3.956 -5.740 1.00 0.00 ATOM 438 N ASN 58 -9.242 4.652 -6.179 1.00 0.00 ATOM 439 CA ASN 58 -9.642 5.916 -5.549 1.00 0.00 ATOM 440 CB ASN 58 -11.173 6.095 -6.407 1.00 0.00 ATOM 441 CG ASN 58 -11.388 5.136 -7.550 1.00 0.00 ATOM 442 ND2 ASN 58 -12.292 4.181 -7.424 1.00 0.00 ATOM 443 OD1 ASN 58 -10.751 5.194 -8.601 1.00 0.00 ATOM 444 O ASN 58 -9.751 6.776 -3.328 1.00 0.00 ATOM 445 C ASN 58 -10.120 5.882 -4.116 1.00 0.00 ATOM 446 N PHE 59 -10.410 3.861 -3.556 1.00 0.00 ATOM 447 CA PHE 59 -10.728 3.396 -2.221 1.00 0.00 ATOM 448 CB PHE 59 -10.751 1.784 -2.336 1.00 0.00 ATOM 449 CG PHE 59 -11.101 1.045 -1.057 1.00 0.00 ATOM 450 CD1 PHE 59 -11.642 1.707 0.042 1.00 0.00 ATOM 451 CD2 PHE 59 -10.899 -0.333 -0.972 1.00 0.00 ATOM 452 CE1 PHE 59 -11.977 1.007 1.207 1.00 0.00 ATOM 453 CE2 PHE 59 -11.232 -1.043 0.187 1.00 0.00 ATOM 454 CZ PHE 59 -11.771 -0.372 1.279 1.00 0.00 ATOM 455 O PHE 59 -10.129 4.271 -0.062 1.00 0.00 ATOM 456 C PHE 59 -9.741 3.957 -1.194 1.00 0.00 ATOM 457 N VAL 60 -8.474 4.021 -1.610 1.00 0.00 ATOM 458 CA VAL 60 -7.429 4.546 -0.678 1.00 0.00 ATOM 459 CB VAL 60 -6.007 4.329 -1.255 1.00 0.00 ATOM 460 CG1 VAL 60 -4.998 5.159 -0.479 1.00 0.00 ATOM 461 CG2 VAL 60 -5.626 2.853 -1.169 1.00 0.00 ATOM 462 O VAL 60 -7.643 6.538 0.722 1.00 0.00 ATOM 463 C VAL 60 -7.713 6.029 -0.401 1.00 0.00 ATOM 464 N LYS 61 -8.097 6.776 -1.431 1.00 0.00 ATOM 465 CA LYS 61 -8.429 8.207 -1.273 1.00 0.00 ATOM 466 CB LYS 61 -8.659 8.845 -2.613 1.00 0.00 ATOM 467 CG LYS 61 -8.958 10.334 -2.516 1.00 0.00 ATOM 468 CD LYS 61 -7.733 11.175 -2.256 1.00 0.00 ATOM 469 CE LYS 61 -7.969 12.650 -2.588 1.00 0.00 ATOM 470 NZ LYS 61 -6.784 13.442 -2.161 1.00 0.00 ATOM 471 O LYS 61 -9.729 9.208 0.514 1.00 0.00 ATOM 472 C LYS 61 -9.651 8.326 -0.392 1.00 0.00 ATOM 473 N GLU 62 -10.644 7.462 -0.569 1.00 0.00 ATOM 474 CA GLU 62 -11.833 7.436 0.248 1.00 0.00 ATOM 475 CB GLU 62 -12.630 6.156 -0.052 1.00 0.00 ATOM 476 CG GLU 62 -14.126 6.296 0.099 1.00 0.00 ATOM 477 CD GLU 62 -14.707 7.463 -0.681 1.00 0.00 ATOM 478 OE1 GLU 62 -14.526 7.508 -1.923 1.00 0.00 ATOM 479 OE2 GLU 62 -15.350 8.323 -0.042 1.00 0.00 ATOM 480 O GLU 62 -12.357 8.119 2.450 1.00 0.00 ATOM 481 C GLU 62 -11.558 7.487 1.747 1.00 0.00 ATOM 482 N LYS 63 -10.464 6.700 2.097 1.00 0.00 ATOM 483 CA LYS 63 -10.157 6.464 3.536 1.00 0.00 ATOM 484 CB LYS 63 -10.095 4.962 3.792 1.00 0.00 ATOM 485 CG LYS 63 -11.407 4.226 3.562 1.00 0.00 ATOM 486 CD LYS 63 -12.433 4.643 4.600 1.00 0.00 ATOM 487 CE LYS 63 -13.778 4.012 4.344 1.00 0.00 ATOM 488 NZ LYS 63 -14.774 4.612 5.271 1.00 0.00 ATOM 489 O LYS 63 -8.728 7.487 5.165 1.00 0.00 ATOM 490 C LYS 63 -9.114 7.480 4.014 1.00 0.00 ATOM 491 N GLY 64 -8.655 8.332 3.139 1.00 0.00 ATOM 492 CA GLY 64 -7.638 9.343 3.551 1.00 0.00 ATOM 493 O GLY 64 -5.243 9.429 3.577 1.00 0.00 ATOM 494 C GLY 64 -6.235 8.748 3.407 1.00 0.00 ATOM 495 N ALA 65 -6.144 7.485 3.096 1.00 0.00 ATOM 496 CA ALA 65 -4.807 6.845 2.942 1.00 0.00 ATOM 497 CB ALA 65 -5.049 5.271 2.855 1.00 0.00 ATOM 498 O ALA 65 -3.909 7.589 0.852 1.00 0.00 ATOM 499 C ALA 65 -3.919 7.718 2.058 1.00 0.00 ATOM 500 N GLU 66 -3.163 8.599 2.652 1.00 0.00 ATOM 501 CA GLU 66 -2.266 9.468 1.846 1.00 0.00 ATOM 502 CB GLU 66 -2.185 10.885 2.292 1.00 0.00 ATOM 503 CG GLU 66 -3.566 11.546 2.326 1.00 0.00 ATOM 504 CD GLU 66 -3.551 12.891 3.035 1.00 0.00 ATOM 505 OE1 GLU 66 -2.433 13.376 3.350 1.00 0.00 ATOM 506 OE2 GLU 66 -4.656 13.437 3.234 1.00 0.00 ATOM 507 O GLU 66 -0.147 9.156 0.774 1.00 0.00 ATOM 508 C GLU 66 -1.016 8.672 1.469 1.00 0.00 ATOM 509 N LEU 67 -0.922 7.449 1.925 1.00 0.00 ATOM 510 CA LEU 67 0.271 6.620 1.588 1.00 0.00 ATOM 511 CB LEU 67 1.136 6.393 2.830 1.00 0.00 ATOM 512 CG LEU 67 1.518 7.677 3.590 1.00 0.00 ATOM 513 CD1 LEU 67 2.552 7.375 4.659 1.00 0.00 ATOM 514 CD2 LEU 67 2.037 8.756 2.633 1.00 0.00 ATOM 515 O LEU 67 -0.956 4.579 1.867 1.00 0.00 ATOM 516 C LEU 67 -0.185 5.218 1.177 1.00 0.00 ATOM 517 N VAL 68 0.280 4.735 0.057 1.00 0.00 ATOM 518 CA VAL 68 -0.131 3.375 -0.394 1.00 0.00 ATOM 519 CB VAL 68 -1.065 3.411 -1.543 1.00 0.00 ATOM 520 CG1 VAL 68 -1.398 2.020 -2.046 1.00 0.00 ATOM 521 CG2 VAL 68 -2.341 4.177 -1.147 1.00 0.00 ATOM 522 O VAL 68 1.620 2.663 -1.867 1.00 0.00 ATOM 523 C VAL 68 1.109 2.564 -0.769 1.00 0.00 ATOM 524 N ILE 69 1.594 1.752 0.132 1.00 0.00 ATOM 525 CA ILE 69 2.798 0.928 -0.174 1.00 0.00 ATOM 526 CB ILE 69 3.859 0.925 0.933 1.00 0.00 ATOM 527 CG1 ILE 69 4.159 2.328 1.463 1.00 0.00 ATOM 528 CG2 ILE 69 5.164 0.206 0.561 1.00 0.00 ATOM 529 CD1 ILE 69 4.640 2.369 2.901 1.00 0.00 ATOM 530 O ILE 69 1.806 -1.249 -0.044 1.00 0.00 ATOM 531 C ILE 69 2.354 -0.420 -0.743 1.00 0.00 ATOM 532 N VAL 70 2.581 -0.646 -2.008 1.00 0.00 ATOM 533 CA VAL 70 2.166 -1.939 -2.618 1.00 0.00 ATOM 534 CB VAL 70 0.892 -1.501 -3.554 1.00 0.00 ATOM 535 CG1 VAL 70 1.238 -0.339 -4.505 1.00 0.00 ATOM 536 CG2 VAL 70 0.400 -2.716 -4.327 1.00 0.00 ATOM 537 O VAL 70 4.151 -1.671 -3.939 1.00 0.00 ATOM 538 C VAL 70 3.196 -2.371 -3.666 1.00 0.00 ATOM 539 N ARG 71 3.002 -3.520 -4.247 1.00 0.00 ATOM 540 CA ARG 71 3.962 -4.009 -5.277 1.00 0.00 ATOM 541 CB ARG 71 4.774 -5.159 -4.708 1.00 0.00 ATOM 542 CG ARG 71 5.755 -4.723 -3.626 1.00 0.00 ATOM 543 CD ARG 71 6.763 -5.816 -3.307 1.00 0.00 ATOM 544 NE ARG 71 6.125 -7.040 -2.829 1.00 0.00 ATOM 545 CZ ARG 71 5.549 -7.172 -1.638 1.00 0.00 ATOM 546 NH1 ARG 71 5.529 -6.151 -0.791 1.00 0.00 ATOM 547 NH2 ARG 71 4.985 -8.323 -1.298 1.00 0.00 ATOM 548 O ARG 71 3.514 -5.547 -7.060 1.00 0.00 ATOM 549 C ARG 71 3.185 -4.526 -6.492 1.00 0.00 ATOM 550 N GLY 72 2.157 -3.829 -6.891 1.00 0.00 ATOM 551 CA GLY 72 1.360 -4.284 -8.065 1.00 0.00 ATOM 552 O GLY 72 3.240 -3.765 -9.449 1.00 0.00 ATOM 553 C GLY 72 2.295 -4.504 -9.263 1.00 0.00 ATOM 554 N ILE 73 1.997 -5.517 -10.038 1.00 0.00 ATOM 555 CA ILE 73 2.793 -5.866 -11.228 1.00 0.00 ATOM 556 CB ILE 73 3.537 -7.077 -11.233 1.00 0.00 ATOM 557 CG1 ILE 73 4.815 -6.820 -10.416 1.00 0.00 ATOM 558 CG2 ILE 73 3.873 -7.496 -12.653 1.00 0.00 ATOM 559 CD1 ILE 73 5.591 -5.570 -10.829 1.00 0.00 ATOM 560 O ILE 73 1.586 -5.249 -13.206 1.00 0.00 ATOM 561 C ILE 73 2.445 -4.944 -12.402 1.00 0.00 ATOM 562 N GLY 74 3.105 -3.824 -12.507 1.00 0.00 ATOM 563 CA GLY 74 2.812 -2.891 -13.636 1.00 0.00 ATOM 564 O GLY 74 2.063 -1.397 -11.922 1.00 0.00 ATOM 565 C GLY 74 2.411 -1.521 -13.082 1.00 0.00 ATOM 566 N ARG 75 2.472 -0.529 -13.934 1.00 0.00 ATOM 567 CA ARG 75 2.121 0.856 -13.575 1.00 0.00 ATOM 568 CB ARG 75 3.340 1.760 -14.068 1.00 0.00 ATOM 569 CG ARG 75 3.241 3.209 -13.555 1.00 0.00 ATOM 570 CD ARG 75 4.183 4.091 -14.363 1.00 0.00 ATOM 571 NE ARG 75 3.671 4.288 -15.713 1.00 0.00 ATOM 572 CZ ARG 75 2.641 5.071 -16.006 1.00 0.00 ATOM 573 NH1 ARG 75 2.015 5.749 -15.052 1.00 0.00 ATOM 574 NH2 ARG 75 2.228 5.186 -17.267 1.00 0.00 ATOM 575 O ARG 75 0.102 2.141 -13.428 1.00 0.00 ATOM 576 C ARG 75 0.601 1.040 -13.559 1.00 0.00 ATOM 577 N ARG 76 -0.155 -0.024 -13.693 1.00 0.00 ATOM 578 CA ARG 76 -1.618 0.091 -13.690 1.00 0.00 ATOM 579 CB ARG 76 -2.295 -1.280 -13.872 1.00 0.00 ATOM 580 CG ARG 76 -3.802 -1.295 -13.545 1.00 0.00 ATOM 581 CD ARG 76 -4.454 -2.528 -14.138 1.00 0.00 ATOM 582 NE ARG 76 -5.916 -2.373 -14.218 1.00 0.00 ATOM 583 CZ ARG 76 -6.736 -3.318 -14.714 1.00 0.00 ATOM 584 NH1 ARG 76 -6.250 -4.337 -15.435 1.00 0.00 ATOM 585 NH2 ARG 76 -8.026 -3.223 -14.482 1.00 0.00 ATOM 586 O ARG 76 -2.984 1.604 -12.408 1.00 0.00 ATOM 587 C ARG 76 -2.134 0.699 -12.393 1.00 0.00 ATOM 588 N ALA 77 -1.614 0.196 -11.285 1.00 0.00 ATOM 589 CA ALA 77 -2.027 0.666 -9.962 1.00 0.00 ATOM 590 CB ALA 77 -1.391 -0.185 -8.869 1.00 0.00 ATOM 591 O ALA 77 -2.384 2.932 -9.244 1.00 0.00 ATOM 592 C ALA 77 -1.619 2.108 -9.743 1.00 0.00 ATOM 593 N ILE 78 -0.395 2.417 -10.138 1.00 0.00 ATOM 594 CA ILE 78 0.084 3.794 -10.007 1.00 0.00 ATOM 595 CB ILE 78 1.557 3.950 -10.412 1.00 0.00 ATOM 596 CG1 ILE 78 2.465 3.381 -9.317 1.00 0.00 ATOM 597 CG2 ILE 78 1.900 5.417 -10.659 1.00 0.00 ATOM 598 CD1 ILE 78 3.928 3.297 -9.693 1.00 0.00 ATOM 599 O ILE 78 -1.294 5.732 -10.349 1.00 0.00 ATOM 600 C ILE 78 -0.805 4.717 -10.842 1.00 0.00 ATOM 601 N ALA 79 -1.042 4.364 -12.105 1.00 0.00 ATOM 602 CA ALA 79 -1.897 5.196 -12.951 1.00 0.00 ATOM 603 CB ALA 79 -2.018 4.571 -14.336 1.00 0.00 ATOM 604 O ALA 79 -3.829 6.513 -12.343 1.00 0.00 ATOM 605 C ALA 79 -3.283 5.401 -12.357 1.00 0.00 ATOM 606 N ALA 80 -3.885 4.329 -11.835 1.00 0.00 ATOM 607 CA ALA 80 -5.217 4.423 -11.254 1.00 0.00 ATOM 608 CB ALA 80 -5.778 3.037 -10.952 1.00 0.00 ATOM 609 O ALA 80 -6.071 6.139 -9.821 1.00 0.00 ATOM 610 C ALA 80 -5.203 5.279 -9.999 1.00 0.00 ATOM 611 N PHE 81 -4.190 5.401 -8.883 1.00 0.00 ATOM 612 CA PHE 81 -3.972 6.079 -7.606 1.00 0.00 ATOM 613 CB PHE 81 -2.956 5.404 -6.751 1.00 0.00 ATOM 614 CG PHE 81 -3.517 4.226 -6.012 1.00 0.00 ATOM 615 CD1 PHE 81 -4.572 4.393 -5.112 1.00 0.00 ATOM 616 CD2 PHE 81 -2.994 2.953 -6.203 1.00 0.00 ATOM 617 CE1 PHE 81 -5.097 3.292 -4.409 1.00 0.00 ATOM 618 CE2 PHE 81 -3.513 1.848 -5.503 1.00 0.00 ATOM 619 CZ PHE 81 -4.558 2.018 -4.610 1.00 0.00 ATOM 620 O PHE 81 -4.046 8.444 -7.111 1.00 0.00 ATOM 621 C PHE 81 -3.603 7.553 -7.847 1.00 0.00 ATOM 622 N GLU 82 -2.845 7.802 -8.918 1.00 0.00 ATOM 623 CA GLU 82 -2.426 9.152 -9.303 1.00 0.00 ATOM 624 CB GLU 82 -1.447 9.168 -10.415 1.00 0.00 ATOM 625 CG GLU 82 -0.875 10.541 -10.704 1.00 0.00 ATOM 626 CD GLU 82 0.096 10.537 -11.870 1.00 0.00 ATOM 627 OE1 GLU 82 0.560 9.450 -12.285 1.00 0.00 ATOM 628 OE2 GLU 82 0.395 11.638 -12.374 1.00 0.00 ATOM 629 O GLU 82 -3.801 11.107 -9.149 1.00 0.00 ATOM 630 C GLU 82 -3.646 9.995 -9.666 1.00 0.00 ATOM 631 N ALA 83 -4.513 9.452 -10.526 1.00 0.00 ATOM 632 CA ALA 83 -5.740 10.131 -10.960 1.00 0.00 ATOM 633 CB ALA 83 -6.487 9.289 -12.003 1.00 0.00 ATOM 634 O ALA 83 -7.373 11.441 -9.768 1.00 0.00 ATOM 635 C ALA 83 -6.662 10.434 -9.773 1.00 0.00 ATOM 636 N MET 84 -6.613 9.551 -8.777 1.00 0.00 ATOM 637 CA MET 84 -7.454 9.729 -7.556 1.00 0.00 ATOM 638 CB MET 84 -7.880 8.379 -6.923 1.00 0.00 ATOM 639 CG MET 84 -8.720 7.546 -7.876 1.00 0.00 ATOM 640 SD MET 84 -10.213 8.342 -8.600 1.00 0.00 ATOM 641 CE MET 84 -11.135 8.526 -7.069 1.00 0.00 ATOM 642 O MET 84 -7.414 10.884 -5.488 1.00 0.00 ATOM 643 C MET 84 -6.792 10.627 -6.507 1.00 0.00 ATOM 644 N GLY 85 -5.592 11.155 -6.735 1.00 0.00 ATOM 645 CA GLY 85 -4.846 12.094 -5.939 1.00 0.00 ATOM 646 O GLY 85 -3.800 12.248 -3.762 1.00 0.00 ATOM 647 C GLY 85 -4.117 11.512 -4.741 1.00 0.00 ATOM 648 N VAL 86 -3.790 10.213 -4.846 1.00 0.00 ATOM 649 CA VAL 86 -3.230 9.479 -3.745 1.00 0.00 ATOM 650 CB VAL 86 -4.122 8.317 -3.360 1.00 0.00 ATOM 651 CG1 VAL 86 -3.457 7.537 -2.220 1.00 0.00 ATOM 652 CG2 VAL 86 -5.507 8.815 -2.940 1.00 0.00 ATOM 653 O VAL 86 -1.689 8.106 -4.992 1.00 0.00 ATOM 654 C VAL 86 -1.844 9.001 -4.176 1.00 0.00 ATOM 655 N LYS 87 -0.816 9.621 -3.611 1.00 0.00 ATOM 656 CA LYS 87 0.552 9.273 -4.041 1.00 0.00 ATOM 657 CB LYS 87 1.592 9.995 -3.161 1.00 0.00 ATOM 658 CG LYS 87 3.000 9.764 -3.773 1.00 0.00 ATOM 659 CD LYS 87 4.078 10.350 -2.882 1.00 0.00 ATOM 660 CE LYS 87 5.411 10.405 -3.657 1.00 0.00 ATOM 661 NZ LYS 87 6.419 11.123 -2.812 1.00 0.00 ATOM 662 O LYS 87 0.413 7.171 -2.956 1.00 0.00 ATOM 663 C LYS 87 0.771 7.779 -3.969 1.00 0.00 ATOM 664 N VAL 88 1.395 7.174 -4.978 1.00 0.00 ATOM 665 CA VAL 88 1.662 5.748 -4.915 1.00 0.00 ATOM 666 CB VAL 88 1.707 5.069 -6.295 1.00 0.00 ATOM 667 CG1 VAL 88 2.069 3.592 -6.146 1.00 0.00 ATOM 668 CG2 VAL 88 0.325 5.225 -6.950 1.00 0.00 ATOM 669 O VAL 88 4.029 5.900 -4.555 1.00 0.00 ATOM 670 C VAL 88 2.946 5.463 -4.149 1.00 0.00 ATOM 671 N ILE 89 3.755 4.198 -3.115 1.00 0.00 ATOM 672 CA ILE 89 4.962 3.619 -2.466 1.00 0.00 ATOM 673 CB ILE 89 4.644 3.148 -1.052 1.00 0.00 ATOM 674 CG1 ILE 89 4.154 4.324 -0.205 1.00 0.00 ATOM 675 CG2 ILE 89 5.914 2.541 -0.457 1.00 0.00 ATOM 676 CD1 ILE 89 5.113 5.486 -0.143 1.00 0.00 ATOM 677 O ILE 89 4.343 1.517 -3.438 1.00 0.00 ATOM 678 C ILE 89 5.245 2.235 -3.049 1.00 0.00 ATOM 679 N LYS 90 6.491 1.856 -3.119 1.00 0.00 ATOM 680 CA LYS 90 6.833 0.520 -3.683 1.00 0.00 ATOM 681 CB LYS 90 7.972 0.640 -4.672 1.00 0.00 ATOM 682 CG LYS 90 8.382 -0.716 -5.253 1.00 0.00 ATOM 683 CD LYS 90 7.369 -1.251 -6.243 1.00 0.00 ATOM 684 CE LYS 90 7.782 -2.568 -6.885 1.00 0.00 ATOM 685 NZ LYS 90 6.893 -2.966 -7.985 1.00 0.00 ATOM 686 O LYS 90 7.932 -0.035 -1.625 1.00 0.00 ATOM 687 C LYS 90 7.248 -0.423 -2.551 1.00 0.00 ATOM 688 N GLY 91 6.838 -1.662 -2.614 1.00 0.00 ATOM 689 CA GLY 91 7.208 -2.627 -1.541 1.00 0.00 ATOM 690 O GLY 91 7.815 -4.709 -2.562 1.00 0.00 ATOM 691 C GLY 91 8.198 -3.657 -2.091 1.00 0.00 ATOM 692 N ALA 92 9.468 -3.363 -2.035 1.00 0.00 ATOM 693 CA ALA 92 10.478 -4.331 -2.554 1.00 0.00 ATOM 694 CB ALA 92 11.884 -3.875 -2.149 1.00 0.00 ATOM 695 O ALA 92 10.304 -6.719 -2.638 1.00 0.00 ATOM 696 C ALA 92 10.200 -5.714 -1.963 1.00 0.00 ATOM 697 N SER 93 9.852 -5.774 -0.707 1.00 0.00 ATOM 698 CA SER 93 9.570 -7.091 -0.073 1.00 0.00 ATOM 699 CB SER 93 9.604 -8.248 -0.985 1.00 0.00 ATOM 700 OG SER 93 9.207 -9.445 -0.331 1.00 0.00 ATOM 701 O SER 93 11.596 -7.239 1.199 1.00 0.00 ATOM 702 C SER 93 10.382 -7.222 1.217 1.00 0.00 ATOM 703 N GLY 94 9.722 -7.316 2.338 1.00 0.00 ATOM 704 CA GLY 94 10.458 -7.447 3.627 1.00 0.00 ATOM 705 O GLY 94 9.612 -9.022 5.224 1.00 0.00 ATOM 706 C GLY 94 9.497 -7.924 4.716 1.00 0.00 ATOM 707 N THR 95 8.550 -7.104 5.083 1.00 0.00 ATOM 708 CA THR 95 7.581 -7.506 6.142 1.00 0.00 ATOM 709 CB THR 95 8.299 -8.153 7.302 1.00 0.00 ATOM 710 CG2 THR 95 9.056 -7.169 8.143 1.00 0.00 ATOM 711 OG1 THR 95 7.437 -8.923 8.105 1.00 0.00 ATOM 712 O THR 95 7.100 -5.165 6.320 1.00 0.00 ATOM 713 C THR 95 6.719 -6.300 6.519 1.00 0.00 ATOM 714 N VAL 96 5.533 -6.524 7.074 1.00 0.00 ATOM 715 CA VAL 96 4.658 -5.415 7.455 1.00 0.00 ATOM 716 CB VAL 96 3.415 -6.147 8.360 1.00 0.00 ATOM 717 CG1 VAL 96 2.073 -5.418 8.360 1.00 0.00 ATOM 718 CG2 VAL 96 3.216 -7.639 8.019 1.00 0.00 ATOM 719 O VAL 96 5.167 -3.409 8.688 1.00 0.00 ATOM 720 C VAL 96 5.302 -4.628 8.612 1.00 0.00 ATOM 721 N GLU 97 6.065 -5.312 9.459 1.00 0.00 ATOM 722 CA GLU 97 6.762 -4.659 10.566 1.00 0.00 ATOM 723 CB GLU 97 7.561 -5.683 11.380 1.00 0.00 ATOM 724 CG GLU 97 6.718 -6.626 12.243 1.00 0.00 ATOM 725 CD GLU 97 6.127 -7.797 11.477 1.00 0.00 ATOM 726 OE1 GLU 97 5.594 -8.720 12.135 1.00 0.00 ATOM 727 OE2 GLU 97 6.186 -7.807 10.230 1.00 0.00 ATOM 728 O GLU 97 7.814 -2.493 10.623 1.00 0.00 ATOM 729 C GLU 97 7.717 -3.580 10.053 1.00 0.00 ATOM 730 N GLU 98 8.418 -3.895 8.980 1.00 0.00 ATOM 731 CA GLU 98 9.380 -2.929 8.373 1.00 0.00 ATOM 732 CB GLU 98 10.098 -3.687 7.219 1.00 0.00 ATOM 733 CG GLU 98 11.595 -3.485 7.104 1.00 0.00 ATOM 734 CD GLU 98 12.253 -4.575 6.258 1.00 0.00 ATOM 735 OE1 GLU 98 11.942 -4.675 5.052 1.00 0.00 ATOM 736 OE2 GLU 98 13.064 -5.351 6.807 1.00 0.00 ATOM 737 O GLU 98 9.111 -0.538 8.093 1.00 0.00 ATOM 738 C GLU 98 8.668 -1.682 7.850 1.00 0.00 ATOM 739 N VAL 99 7.560 -1.912 7.142 1.00 0.00 ATOM 740 CA VAL 99 6.732 -0.796 6.624 1.00 0.00 ATOM 741 CB VAL 99 5.596 -1.294 5.735 1.00 0.00 ATOM 742 CG1 VAL 99 4.693 -0.135 5.323 1.00 0.00 ATOM 743 CG2 VAL 99 6.179 -1.957 4.493 1.00 0.00 ATOM 744 O VAL 99 6.129 1.258 7.727 1.00 0.00 ATOM 745 C VAL 99 6.123 -0.013 7.810 1.00 0.00 ATOM 746 N VAL 100 5.672 -0.671 8.869 1.00 0.00 ATOM 747 CA VAL 100 5.120 0.035 10.019 1.00 0.00 ATOM 748 CB VAL 100 4.526 -0.952 11.048 1.00 0.00 ATOM 749 CG1 VAL 100 4.127 -0.207 12.320 1.00 0.00 ATOM 750 CG2 VAL 100 3.312 -1.658 10.447 1.00 0.00 ATOM 751 O VAL 100 5.975 2.004 11.102 1.00 0.00 ATOM 752 C VAL 100 6.211 0.866 10.699 1.00 0.00 ATOM 753 N ASN 101 7.404 0.291 10.822 1.00 0.00 ATOM 754 CA ASN 101 8.529 0.983 11.446 1.00 0.00 ATOM 755 CB ASN 101 9.684 0.004 11.675 1.00 0.00 ATOM 756 CG ASN 101 9.446 -0.910 12.866 1.00 0.00 ATOM 757 ND2 ASN 101 8.557 -0.498 13.762 1.00 0.00 ATOM 758 OD1 ASN 101 10.063 -1.969 12.986 1.00 0.00 ATOM 759 O ASN 101 9.297 3.235 11.131 1.00 0.00 ATOM 760 C ASN 101 9.008 2.162 10.603 1.00 0.00 ATOM 761 N GLN 102 9.095 1.590 9.146 1.00 0.00 ATOM 762 CA GLN 102 9.558 2.386 7.974 1.00 0.00 ATOM 763 CB GLN 102 9.356 1.601 6.699 1.00 0.00 ATOM 764 CG GLN 102 9.837 2.316 5.448 1.00 0.00 ATOM 765 CD GLN 102 11.304 2.696 5.511 1.00 0.00 ATOM 766 OE1 GLN 102 12.168 1.856 5.765 1.00 0.00 ATOM 767 NE2 GLN 102 11.592 3.969 5.274 1.00 0.00 ATOM 768 O GLN 102 9.401 4.738 7.537 1.00 0.00 ATOM 769 C GLN 102 8.845 3.740 7.951 1.00 0.00 ATOM 770 N TYR 103 7.615 3.785 8.385 1.00 0.00 ATOM 771 CA TYR 103 6.870 5.074 8.379 1.00 0.00 ATOM 772 CB TYR 103 5.337 4.609 8.601 1.00 0.00 ATOM 773 CG TYR 103 4.404 5.795 8.789 1.00 0.00 ATOM 774 CD1 TYR 103 4.238 6.407 10.022 1.00 0.00 ATOM 775 CD2 TYR 103 3.703 6.332 7.718 1.00 0.00 ATOM 776 CE1 TYR 103 3.453 7.519 10.205 1.00 0.00 ATOM 777 CE2 TYR 103 2.870 7.437 7.868 1.00 0.00 ATOM 778 CZ TYR 103 2.751 8.032 9.116 1.00 0.00 ATOM 779 OH TYR 103 1.957 9.153 9.280 1.00 0.00 ATOM 780 O TYR 103 7.277 7.184 9.440 1.00 0.00 ATOM 781 C TYR 103 7.386 5.975 9.503 1.00 0.00 ATOM 782 N LEU 104 7.946 5.399 10.529 1.00 0.00 ATOM 783 CA LEU 104 8.465 6.226 11.656 1.00 0.00 ATOM 784 CB LEU 104 8.417 5.449 13.026 1.00 0.00 ATOM 785 CG LEU 104 7.006 5.030 13.385 1.00 0.00 ATOM 786 CD1 LEU 104 7.018 4.251 14.689 1.00 0.00 ATOM 787 CD2 LEU 104 6.105 6.235 13.590 1.00 0.00 ATOM 788 O LEU 104 10.107 7.968 11.774 1.00 0.00 ATOM 789 C LEU 104 9.737 6.955 11.216 1.00 0.00 ATOM 790 N SER 105 10.407 6.448 10.219 1.00 0.00 ATOM 791 CA SER 105 11.654 7.111 9.747 1.00 0.00 ATOM 792 CB SER 105 12.712 6.062 9.504 1.00 0.00 ATOM 793 OG SER 105 12.234 4.943 8.779 1.00 0.00 ATOM 794 O SER 105 12.265 8.411 7.828 1.00 0.00 ATOM 795 C SER 105 11.372 7.868 8.447 1.00 0.00 ATOM 796 N GLY 106 10.137 7.906 8.025 1.00 0.00 ATOM 797 CA GLY 106 9.804 8.627 6.765 1.00 0.00 ATOM 798 O GLY 106 11.137 8.798 4.781 1.00 0.00 ATOM 799 C GLY 106 10.647 8.068 5.620 1.00 0.00 ATOM 800 N GLN 107 10.839 6.768 5.558 1.00 0.00 ATOM 801 CA GLN 107 11.629 6.169 4.500 1.00 0.00 ATOM 802 CB GLN 107 12.162 4.818 5.140 1.00 0.00 ATOM 803 CG GLN 107 13.610 4.941 5.423 1.00 0.00 ATOM 804 CD GLN 107 14.390 4.161 4.444 1.00 0.00 ATOM 805 OE1 GLN 107 15.074 4.777 3.592 1.00 0.00 ATOM 806 NE2 GLN 107 14.339 2.820 4.632 1.00 0.00 ATOM 807 O GLN 107 11.646 5.966 2.131 1.00 0.00 ATOM 808 C GLN 107 10.985 5.915 3.177 1.00 0.00 ATOM 809 N LEU 108 9.705 5.624 3.190 1.00 0.00 ATOM 810 CA LEU 108 8.984 5.288 1.975 1.00 0.00 ATOM 811 CB LEU 108 7.692 4.523 2.337 1.00 0.00 ATOM 812 CG LEU 108 7.868 3.123 2.923 1.00 0.00 ATOM 813 CD1 LEU 108 6.505 2.505 3.251 1.00 0.00 ATOM 814 CD2 LEU 108 8.624 2.259 1.916 1.00 0.00 ATOM 815 O LEU 108 8.123 6.261 -0.019 1.00 0.00 ATOM 816 C LEU 108 8.737 6.464 1.032 1.00 0.00 ATOM 817 N LYS 109 9.188 7.657 1.409 1.00 0.00 ATOM 818 CA LYS 109 8.936 8.830 0.587 1.00 0.00 ATOM 819 CB LYS 109 8.426 9.968 1.478 1.00 0.00 ATOM 820 CG LYS 109 7.219 9.614 2.334 1.00 0.00 ATOM 821 CD LYS 109 5.944 9.336 1.548 1.00 0.00 ATOM 822 CE LYS 109 5.225 8.081 2.032 1.00 0.00 ATOM 823 NZ LYS 109 4.886 7.163 0.908 1.00 0.00 ATOM 824 O LYS 109 10.133 10.204 -0.978 1.00 0.00 ATOM 825 C LYS 109 10.160 9.236 -0.209 1.00 0.00 ATOM 826 N ASP 110 11.277 8.517 -0.087 1.00 0.00 ATOM 827 CA ASP 110 12.439 8.887 -0.884 1.00 0.00 ATOM 828 CB ASP 110 13.702 8.181 -0.369 1.00 0.00 ATOM 829 CG ASP 110 13.881 8.521 1.104 1.00 0.00 ATOM 830 OD1 ASP 110 13.039 9.341 1.546 1.00 0.00 ATOM 831 OD2 ASP 110 14.806 8.006 1.763 1.00 0.00 ATOM 832 O ASP 110 11.599 7.605 -2.756 1.00 0.00 ATOM 833 C ASP 110 12.272 8.557 -2.363 1.00 0.00 ATOM 834 N SER 111 12.944 9.415 -3.130 1.00 0.00 ATOM 835 CA SER 111 13.030 9.224 -4.568 1.00 0.00 ATOM 836 CB SER 111 13.795 10.373 -5.216 1.00 0.00 ATOM 837 OG SER 111 15.081 10.515 -4.631 1.00 0.00 ATOM 838 O SER 111 13.316 7.220 -5.827 1.00 0.00 ATOM 839 C SER 111 13.704 7.905 -4.883 1.00 0.00 ATOM 840 N ASP 112 14.700 7.531 -4.086 1.00 0.00 ATOM 841 CA ASP 112 15.404 6.267 -4.301 1.00 0.00 ATOM 842 CB ASP 112 16.765 6.261 -3.603 1.00 0.00 ATOM 843 CG ASP 112 17.755 7.240 -4.228 1.00 0.00 ATOM 844 OD1 ASP 112 17.683 7.508 -5.452 1.00 0.00 ATOM 845 OD2 ASP 112 18.626 7.740 -3.489 1.00 0.00 ATOM 846 O ASP 112 14.495 4.061 -4.513 1.00 0.00 ATOM 847 C ASP 112 14.572 5.079 -3.829 1.00 0.00 ATOM 848 N TYR 113 13.926 5.225 -2.679 1.00 0.00 ATOM 849 CA TYR 113 13.089 4.174 -2.126 1.00 0.00 ATOM 850 CB TYR 113 12.567 4.618 -0.765 1.00 0.00 ATOM 851 CG TYR 113 12.030 3.485 0.067 1.00 0.00 ATOM 852 CD1 TYR 113 12.894 2.681 0.825 1.00 0.00 ATOM 853 CD2 TYR 113 10.657 3.215 0.111 1.00 0.00 ATOM 854 CE1 TYR 113 12.406 1.647 1.603 1.00 0.00 ATOM 855 CE2 TYR 113 10.160 2.180 0.882 1.00 0.00 ATOM 856 CZ TYR 113 11.041 1.407 1.623 1.00 0.00 ATOM 857 OH TYR 113 10.536 0.412 2.401 1.00 0.00 ATOM 858 O TYR 113 11.580 2.702 -3.310 1.00 0.00 ATOM 859 C TYR 113 11.922 3.868 -3.075 1.00 0.00 ATOM 860 N GLU 114 11.322 4.933 -3.602 1.00 0.00 ATOM 861 CA GLU 114 10.190 4.829 -4.543 1.00 0.00 ATOM 862 CB GLU 114 9.712 6.216 -4.855 1.00 0.00 ATOM 863 CG GLU 114 8.670 6.260 -5.990 1.00 0.00 ATOM 864 CD GLU 114 7.853 7.534 -6.010 1.00 0.00 ATOM 865 OE1 GLU 114 8.327 8.562 -5.528 1.00 0.00 ATOM 866 OE2 GLU 114 6.733 7.482 -6.509 1.00 0.00 ATOM 867 O GLU 114 11.805 4.755 -6.317 1.00 0.00 ATOM 868 C GLU 114 10.687 4.457 -5.941 1.00 0.00 ATOM 869 N VAL 115 9.874 3.807 -6.743 1.00 0.00 ATOM 870 CA VAL 115 10.271 3.426 -8.078 1.00 0.00 ATOM 871 CB VAL 115 10.850 1.973 -8.024 1.00 0.00 ATOM 872 CG1 VAL 115 12.096 1.880 -7.186 1.00 0.00 ATOM 873 CG2 VAL 115 9.837 0.918 -7.570 1.00 0.00 ATOM 874 O VAL 115 7.940 3.584 -8.611 1.00 0.00 ATOM 875 C VAL 115 9.091 3.917 -8.898 1.00 0.00 ATOM 876 N HIS 116 9.348 4.786 -9.863 1.00 0.00 ATOM 877 CA HIS 116 8.243 5.323 -10.643 1.00 0.00 ATOM 878 CB HIS 116 7.528 6.416 -9.846 1.00 0.00 ATOM 879 CG HIS 116 8.418 7.554 -9.439 1.00 0.00 ATOM 880 CD2 HIS 116 9.326 7.660 -8.439 1.00 0.00 ATOM 881 ND1 HIS 116 8.454 8.761 -10.111 1.00 0.00 ATOM 882 CE1 HIS 116 9.344 9.555 -9.549 1.00 0.00 ATOM 883 NE2 HIS 116 9.887 8.911 -8.531 1.00 0.00 ATOM 884 O HIS 116 9.854 6.248 -12.159 1.00 0.00 ATOM 885 C HIS 116 8.677 5.920 -11.961 1.00 0.00 ATOM 886 N ASP 117 7.700 6.093 -12.842 1.00 0.00 ATOM 887 CA ASP 117 7.924 6.694 -14.137 1.00 0.00 ATOM 888 CB ASP 117 8.333 8.159 -13.972 1.00 0.00 ATOM 889 CG ASP 117 7.159 9.040 -13.577 1.00 0.00 ATOM 890 OD1 ASP 117 6.410 9.490 -14.461 1.00 0.00 ATOM 891 OD2 ASP 117 6.950 9.260 -12.379 1.00 0.00 ATOM 892 O ASP 117 9.664 6.608 -15.744 1.00 0.00 ATOM 893 C ASP 117 8.907 5.975 -15.022 1.00 0.00 ATOM 894 N HIS 118 8.922 4.672 -14.972 1.00 0.00 ATOM 895 CA HIS 118 9.812 3.863 -15.815 1.00 0.00 ATOM 896 CB HIS 118 11.078 3.449 -15.034 1.00 0.00 ATOM 897 CG HIS 118 12.019 4.589 -14.821 1.00 0.00 ATOM 898 CD2 HIS 118 12.572 5.082 -13.675 1.00 0.00 ATOM 899 ND1 HIS 118 12.528 5.352 -15.858 1.00 0.00 ATOM 900 CE1 HIS 118 13.350 6.275 -15.361 1.00 0.00 ATOM 901 NE2 HIS 118 13.394 6.128 -14.050 1.00 0.00 ATOM 902 O HIS 118 8.403 2.075 -15.151 1.00 0.00 ATOM 903 C HIS 118 9.143 2.516 -16.048 1.00 0.00 ATOM 904 N HIS 119 9.386 1.884 -17.186 1.00 0.00 ATOM 905 CA HIS 119 8.708 0.646 -17.553 1.00 0.00 ATOM 906 CB HIS 119 8.821 0.386 -19.064 1.00 0.00 ATOM 907 CG HIS 119 10.254 0.391 -19.512 1.00 0.00 ATOM 908 CD2 HIS 119 11.166 -0.607 -19.605 1.00 0.00 ATOM 909 ND1 HIS 119 10.903 1.547 -19.881 1.00 0.00 ATOM 910 CE1 HIS 119 12.155 1.270 -20.182 1.00 0.00 ATOM 911 NE2 HIS 119 12.345 -0.026 -20.028 1.00 0.00 ATOM 912 O HIS 119 8.504 -1.575 -16.763 1.00 0.00 ATOM 913 C HIS 119 9.184 -0.543 -16.741 1.00 0.00 ATOM 914 N HIS 120 10.308 -0.425 -16.055 1.00 0.00 ATOM 915 CA HIS 120 10.803 -1.505 -15.201 1.00 0.00 ATOM 916 CB HIS 120 12.217 -1.166 -14.645 1.00 0.00 ATOM 917 CG HIS 120 13.230 -0.971 -15.748 1.00 0.00 ATOM 918 CD2 HIS 120 13.097 -1.122 -17.077 1.00 0.00 ATOM 919 ND1 HIS 120 14.531 -0.566 -15.535 1.00 0.00 ATOM 920 CE1 HIS 120 15.150 -0.492 -16.720 1.00 0.00 ATOM 921 NE2 HIS 120 14.297 -0.827 -17.673 1.00 0.00 ATOM 922 O HIS 120 9.348 -0.980 -13.416 1.00 0.00 ATOM 923 C HIS 120 9.880 -1.839 -14.022 1.00 0.00 ATOM 924 N HIS 121 9.765 -3.130 -13.707 1.00 0.00 ATOM 925 CA HIS 121 9.003 -3.571 -12.543 1.00 0.00 ATOM 926 CB HIS 121 9.063 -5.097 -12.419 1.00 0.00 ATOM 927 CG HIS 121 8.423 -5.625 -11.173 1.00 0.00 ATOM 928 CD2 HIS 121 7.455 -5.108 -10.378 1.00 0.00 ATOM 929 ND1 HIS 121 8.782 -6.829 -10.603 1.00 0.00 ATOM 930 CE1 HIS 121 8.066 -7.027 -9.511 1.00 0.00 ATOM 931 NE2 HIS 121 7.253 -5.998 -9.351 1.00 0.00 ATOM 932 O HIS 121 8.798 -2.397 -10.455 1.00 0.00 ATOM 933 C HIS 121 9.550 -2.943 -11.262 1.00 0.00 ATOM 934 N GLU 122 10.864 -3.022 -11.085 1.00 0.00 ATOM 935 CA GLU 122 11.506 -2.485 -9.893 1.00 0.00 ATOM 936 CB GLU 122 12.919 -3.263 -9.717 1.00 0.00 ATOM 937 CG GLU 122 12.752 -4.791 -9.488 1.00 0.00 ATOM 938 CD GLU 122 12.504 -5.810 -10.544 1.00 0.00 ATOM 939 OE1 GLU 122 12.196 -5.333 -11.668 1.00 0.00 ATOM 940 OE2 GLU 122 12.628 -7.047 -10.436 1.00 0.00 ATOM 941 O GLU 122 11.701 -0.448 -8.668 1.00 0.00 ATOM 942 C GLU 122 11.453 -0.972 -9.754 1.00 0.00 ATOM 943 N HIS 123 11.138 -0.263 -10.836 1.00 0.00 ATOM 944 CA HIS 123 11.080 1.192 -10.771 1.00 0.00 ATOM 945 CB HIS 123 12.189 1.800 -11.637 1.00 0.00 ATOM 946 CG HIS 123 13.567 1.381 -11.226 1.00 0.00 ATOM 947 CD2 HIS 123 14.481 1.983 -10.428 1.00 0.00 ATOM 948 ND1 HIS 123 14.124 0.176 -11.603 1.00 0.00 ATOM 949 CE1 HIS 123 15.317 0.053 -11.053 1.00 0.00 ATOM 950 NE2 HIS 123 15.559 1.136 -10.333 1.00 0.00 ATOM 951 O HIS 123 9.605 2.973 -11.423 1.00 0.00 ATOM 952 C HIS 123 9.725 1.776 -11.168 1.00 0.00 ATOM 953 N HIS 124 8.708 0.914 -11.192 1.00 0.00 ATOM 954 CA HIS 124 7.367 1.349 -11.557 1.00 0.00 ATOM 955 CB HIS 124 6.883 -0.323 -12.103 1.00 0.00 ATOM 956 CG HIS 124 6.224 -0.901 -10.890 1.00 0.00 ATOM 957 CD2 HIS 124 6.709 -1.680 -9.894 1.00 0.00 ATOM 958 ND1 HIS 124 4.897 -0.678 -10.593 1.00 0.00 ATOM 959 CE1 HIS 124 4.590 -1.291 -9.461 1.00 0.00 ATOM 960 NE2 HIS 124 5.672 -1.905 -9.016 1.00 0.00 ATOM 961 O HIS 124 5.682 2.739 -10.592 1.00 0.00 ATOM 962 C HIS 124 6.734 2.129 -10.400 1.00 0.00 TER END