PFRMAT TS TARGET T0453 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0453 model 1 Fri Jun 13 13:16:23 2008 MODEL 1 PARENT N/A ATOM 1 N ASP 1 -13.903 9.505 -9.247 1.00 0.00 ATOM 2 CA ASP 1 -15.065 9.203 -8.332 1.00 0.00 ATOM 3 CB ASP 1 -16.076 8.212 -8.959 1.00 0.00 ATOM 4 CG ASP 1 -15.415 6.953 -9.539 1.00 0.00 ATOM 5 OD1 ASP 1 -14.161 6.921 -9.684 1.00 0.00 ATOM 6 OD2 ASP 1 -16.149 5.979 -9.834 1.00 0.00 ATOM 7 O ASP 1 -13.248 8.787 -6.820 1.00 0.00 ATOM 8 C ASP 1 -14.463 8.705 -7.025 1.00 0.00 ATOM 9 N GLY 2 -15.320 8.187 -6.149 1.00 0.00 ATOM 10 CA GLY 2 -14.849 7.701 -4.866 1.00 0.00 ATOM 11 O GLY 2 -12.829 6.625 -4.182 1.00 0.00 ATOM 12 C GLY 2 -13.748 6.661 -4.996 1.00 0.00 ATOM 13 N GLU 3 -13.860 5.812 -6.014 1.00 0.00 ATOM 14 CA GLU 3 -12.876 4.762 -6.258 1.00 0.00 ATOM 15 CB GLU 3 -13.308 3.884 -7.436 1.00 0.00 ATOM 16 CG GLU 3 -14.488 2.976 -7.131 1.00 0.00 ATOM 17 CD GLU 3 -14.966 2.214 -8.352 1.00 0.00 ATOM 18 OE1 GLU 3 -14.423 2.452 -9.451 1.00 0.00 ATOM 19 OE2 GLU 3 -15.885 1.380 -8.208 1.00 0.00 ATOM 20 O GLU 3 -10.483 4.885 -6.145 1.00 0.00 ATOM 21 C GLU 3 -11.518 5.362 -6.610 1.00 0.00 ATOM 22 N GLU 4 -11.525 6.407 -7.431 1.00 0.00 ATOM 23 CA GLU 4 -10.282 7.066 -7.836 1.00 0.00 ATOM 24 CB GLU 4 -10.555 8.185 -8.842 1.00 0.00 ATOM 25 CG GLU 4 -10.992 7.693 -10.213 1.00 0.00 ATOM 26 CD GLU 4 -11.373 8.828 -11.144 1.00 0.00 ATOM 27 OE1 GLU 4 -11.366 9.994 -10.695 1.00 0.00 ATOM 28 OE2 GLU 4 -11.677 8.551 -12.323 1.00 0.00 ATOM 29 O GLU 4 -8.350 7.544 -6.494 1.00 0.00 ATOM 30 C GLU 4 -9.569 7.664 -6.626 1.00 0.00 ATOM 31 N ASP 5 -10.330 8.306 -5.746 1.00 0.00 ATOM 32 CA ASP 5 -9.755 8.913 -4.552 1.00 0.00 ATOM 33 CB ASP 5 -10.831 9.718 -3.819 1.00 0.00 ATOM 34 CG ASP 5 -11.204 10.993 -4.549 1.00 0.00 ATOM 35 OD1 ASP 5 -10.468 11.381 -5.481 1.00 0.00 ATOM 36 OD2 ASP 5 -12.231 11.606 -4.189 1.00 0.00 ATOM 37 O ASP 5 -8.116 8.041 -3.032 1.00 0.00 ATOM 38 C ASP 5 -9.189 7.858 -3.606 1.00 0.00 ATOM 39 N GLU 6 -10.072 6.658 -3.495 1.00 0.00 ATOM 40 CA GLU 6 -9.399 5.731 -2.595 1.00 0.00 ATOM 41 CB GLU 6 -10.387 4.683 -2.081 1.00 0.00 ATOM 42 CG GLU 6 -11.518 5.255 -1.240 1.00 0.00 ATOM 43 CD GLU 6 -12.480 4.188 -0.755 1.00 0.00 ATOM 44 OE1 GLU 6 -12.250 2.998 -1.055 1.00 0.00 ATOM 45 OE2 GLU 6 -13.465 4.543 -0.073 1.00 0.00 ATOM 46 O GLU 6 -7.355 4.497 -2.604 1.00 0.00 ATOM 47 C GLU 6 -8.239 5.011 -3.277 1.00 0.00 ATOM 48 N ILE 7 -8.296 4.932 -4.601 1.00 0.00 ATOM 49 CA ILE 7 -7.288 4.190 -5.352 1.00 0.00 ATOM 50 CB ILE 7 -7.728 2.733 -5.584 1.00 0.00 ATOM 51 CG1 ILE 7 -7.989 2.036 -4.247 1.00 0.00 ATOM 52 CG2 ILE 7 -6.648 1.962 -6.327 1.00 0.00 ATOM 53 CD1 ILE 7 -8.590 0.655 -4.387 1.00 0.00 ATOM 54 O ILE 7 -8.023 5.204 -7.379 1.00 0.00 ATOM 55 C ILE 7 -7.062 4.847 -6.693 1.00 0.00 ATOM 56 N VAL 8 -5.772 4.990 -7.102 1.00 0.00 ATOM 57 CA VAL 8 -5.500 5.555 -8.405 1.00 0.00 ATOM 58 CB VAL 8 -4.789 6.917 -8.305 1.00 0.00 ATOM 59 CG1 VAL 8 -4.463 7.450 -9.692 1.00 0.00 ATOM 60 CG2 VAL 8 -5.676 7.930 -7.598 1.00 0.00 ATOM 61 O VAL 8 -3.652 4.005 -8.626 1.00 0.00 ATOM 62 C VAL 8 -4.577 4.616 -9.189 1.00 0.00 ATOM 63 N GLN 9 -4.902 4.446 -10.469 1.00 0.00 ATOM 64 CA GLN 9 -4.120 3.651 -11.412 1.00 0.00 ATOM 65 CB GLN 9 -5.048 2.961 -12.413 1.00 0.00 ATOM 66 CG GLN 9 -4.332 2.040 -13.389 1.00 0.00 ATOM 67 CD GLN 9 -5.287 1.333 -14.331 1.00 0.00 ATOM 68 OE1 GLN 9 -6.506 1.441 -14.190 1.00 0.00 ATOM 69 NE2 GLN 9 -4.736 0.607 -15.296 1.00 0.00 ATOM 70 O GLN 9 -3.634 5.488 -12.879 1.00 0.00 ATOM 71 C GLN 9 -3.182 4.593 -12.136 1.00 0.00 ATOM 72 N ARG 10 -1.873 4.418 -11.937 1.00 0.00 ATOM 73 CA ARG 10 -0.918 5.308 -12.588 1.00 0.00 ATOM 74 CB ARG 10 0.272 5.575 -11.664 1.00 0.00 ATOM 75 CG ARG 10 -0.066 6.410 -10.440 1.00 0.00 ATOM 76 CD ARG 10 1.143 6.582 -9.537 1.00 0.00 ATOM 77 NE ARG 10 0.822 7.341 -8.331 1.00 0.00 ATOM 78 CZ ARG 10 0.784 8.668 -8.271 1.00 0.00 ATOM 79 NH1 ARG 10 0.483 9.272 -7.129 1.00 0.00 ATOM 80 NH2 ARG 10 1.049 9.388 -9.353 1.00 0.00 ATOM 81 O ARG 10 -0.377 3.504 -14.047 1.00 0.00 ATOM 82 C ARG 10 -0.394 4.720 -13.862 1.00 0.00 ATOM 83 N GLU 11 -0.049 5.686 -14.816 1.00 0.00 ATOM 84 CA GLU 11 0.398 5.322 -16.156 1.00 0.00 ATOM 85 CB GLU 11 0.762 6.575 -16.958 1.00 0.00 ATOM 86 CG GLU 11 -0.434 7.422 -17.360 1.00 0.00 ATOM 87 CD GLU 11 -0.030 8.696 -18.073 1.00 0.00 ATOM 88 OE1 GLU 11 1.186 8.961 -18.176 1.00 0.00 ATOM 89 OE2 GLU 11 -0.930 9.432 -18.530 1.00 0.00 ATOM 90 O GLU 11 1.857 3.654 -17.127 1.00 0.00 ATOM 91 C GLU 11 1.622 4.425 -16.177 1.00 0.00 ATOM 92 N ASP 12 2.417 4.453 -15.110 1.00 0.00 ATOM 93 CA ASP 12 3.571 3.591 -15.101 1.00 0.00 ATOM 94 CB ASP 12 4.777 4.235 -14.425 1.00 0.00 ATOM 95 CG ASP 12 4.710 4.241 -12.877 1.00 0.00 ATOM 96 OD1 ASP 12 4.177 3.288 -12.254 1.00 0.00 ATOM 97 OD2 ASP 12 5.215 5.169 -12.202 1.00 0.00 ATOM 98 O ASP 12 4.229 1.371 -14.404 1.00 0.00 ATOM 99 C ASP 12 3.283 2.148 -14.632 1.00 0.00 ATOM 100 N GLY 13 1.985 1.818 -14.484 1.00 0.00 ATOM 101 CA GLY 13 1.635 0.484 -14.048 1.00 0.00 ATOM 102 O GLY 13 1.278 -0.803 -12.056 1.00 0.00 ATOM 103 C GLY 13 1.570 0.290 -12.528 1.00 0.00 ATOM 104 N SER 14 1.802 1.285 -11.882 1.00 0.00 ATOM 105 CA SER 14 1.739 1.256 -10.413 1.00 0.00 ATOM 106 CB SER 14 2.818 2.156 -9.807 1.00 0.00 ATOM 107 OG SER 14 2.546 3.523 -10.065 1.00 0.00 ATOM 108 O SER 14 -0.453 2.250 -10.735 1.00 0.00 ATOM 109 C SER 14 0.393 1.788 -9.932 1.00 0.00 ATOM 110 N TRP 15 0.179 1.676 -8.620 1.00 0.00 ATOM 111 CA TRP 15 -1.071 2.092 -8.007 1.00 0.00 ATOM 112 CB TRP 15 -1.965 0.839 -7.853 1.00 0.00 ATOM 113 CG TRP 15 -2.126 0.101 -9.136 1.00 0.00 ATOM 114 CD1 TRP 15 -2.836 0.516 -10.229 1.00 0.00 ATOM 115 CD2 TRP 15 -1.469 -1.114 -9.519 1.00 0.00 ATOM 116 CE2 TRP 15 -1.818 -1.369 -10.865 1.00 0.00 ATOM 117 CE3 TRP 15 -0.614 -2.009 -8.860 1.00 0.00 ATOM 118 NE1 TRP 15 -2.652 -0.362 -11.272 1.00 0.00 ATOM 119 CZ2 TRP 15 -1.340 -2.488 -11.568 1.00 0.00 ATOM 120 CZ3 TRP 15 -0.136 -3.125 -9.560 1.00 0.00 ATOM 121 CH2 TRP 15 -0.505 -3.348 -10.900 1.00 0.00 ATOM 122 O TRP 15 0.216 2.799 -6.140 1.00 0.00 ATOM 123 C TRP 15 -0.793 2.963 -6.807 1.00 0.00 ATOM 124 N LEU 16 -1.728 3.838 -6.496 1.00 0.00 ATOM 125 CA LEU 16 -1.704 4.559 -5.202 1.00 0.00 ATOM 126 CB LEU 16 -1.687 6.072 -5.425 1.00 0.00 ATOM 127 CG LEU 16 -1.732 6.944 -4.170 1.00 0.00 ATOM 128 CD1 LEU 16 -0.460 6.776 -3.354 1.00 0.00 ATOM 129 CD2 LEU 16 -1.869 8.412 -4.539 1.00 0.00 ATOM 130 O LEU 16 -4.068 4.281 -4.947 1.00 0.00 ATOM 131 C LEU 16 -2.957 4.165 -4.433 1.00 0.00 ATOM 132 N VAL 17 -2.788 3.652 -3.189 1.00 0.00 ATOM 133 CA VAL 17 -3.923 3.237 -2.376 1.00 0.00 ATOM 134 CB VAL 17 -3.833 1.753 -1.972 1.00 0.00 ATOM 135 CG1 VAL 17 -3.898 0.860 -3.202 1.00 0.00 ATOM 136 CG2 VAL 17 -2.526 1.477 -1.245 1.00 0.00 ATOM 137 O VAL 17 -2.894 4.348 -0.517 1.00 0.00 ATOM 138 C VAL 17 -3.955 4.061 -1.112 1.00 0.00 ATOM 139 N ASP 18 -5.159 4.331 -0.624 1.00 0.00 ATOM 140 CA ASP 18 -5.307 4.834 0.737 1.00 0.00 ATOM 141 CB ASP 18 -6.786 5.044 1.072 1.00 0.00 ATOM 142 CG ASP 18 -7.380 6.246 0.365 1.00 0.00 ATOM 143 OD1 ASP 18 -6.608 7.027 -0.229 1.00 0.00 ATOM 144 OD2 ASP 18 -8.618 6.405 0.403 1.00 0.00 ATOM 145 O ASP 18 -4.898 2.609 1.550 1.00 0.00 ATOM 146 C ASP 18 -4.701 3.813 1.700 1.00 0.00 ATOM 147 N GLY 19 -3.934 4.259 2.693 1.00 0.00 ATOM 148 CA GLY 19 -3.340 3.364 3.664 1.00 0.00 ATOM 149 O GLY 19 -4.060 1.339 4.733 1.00 0.00 ATOM 150 C GLY 19 -4.341 2.501 4.418 1.00 0.00 ATOM 151 N MET 20 -5.521 3.052 4.696 1.00 0.00 ATOM 152 CA MET 20 -6.524 2.316 5.450 1.00 0.00 ATOM 153 CB MET 20 -7.606 3.265 5.966 1.00 0.00 ATOM 154 CG MET 20 -7.113 4.270 6.994 1.00 0.00 ATOM 155 SD MET 20 -6.391 3.482 8.446 1.00 0.00 ATOM 156 CE MET 20 -7.832 2.684 9.149 1.00 0.00 ATOM 157 O MET 20 -8.156 0.583 5.180 1.00 0.00 ATOM 158 C MET 20 -7.255 1.262 4.643 1.00 0.00 ATOM 159 N VAL 21 -6.893 1.086 3.358 1.00 0.00 ATOM 160 CA VAL 21 -7.652 0.114 2.539 1.00 0.00 ATOM 161 CB VAL 21 -7.177 0.113 1.074 1.00 0.00 ATOM 162 CG1 VAL 21 -7.850 -1.006 0.296 1.00 0.00 ATOM 163 CG2 VAL 21 -7.515 1.436 0.403 1.00 0.00 ATOM 164 O VAL 21 -6.291 -1.679 3.406 1.00 0.00 ATOM 165 C VAL 21 -7.441 -1.286 3.114 1.00 0.00 ATOM 166 N SER 22 -8.514 -2.067 3.273 1.00 0.00 ATOM 167 CA SER 22 -8.306 -3.413 3.782 1.00 0.00 ATOM 168 CB SER 22 -9.648 -4.107 4.023 1.00 0.00 ATOM 169 OG SER 22 -10.331 -4.335 2.804 1.00 0.00 ATOM 170 O SER 22 -7.584 -4.033 1.548 1.00 0.00 ATOM 171 C SER 22 -7.499 -4.243 2.764 1.00 0.00 ATOM 172 N LEU 23 -6.755 -5.223 3.250 1.00 0.00 ATOM 173 CA LEU 23 -6.090 -6.143 2.330 1.00 0.00 ATOM 174 CB LEU 23 -5.237 -7.154 3.175 1.00 0.00 ATOM 175 CG LEU 23 -4.144 -6.613 4.099 1.00 0.00 ATOM 176 CD1 LEU 23 -3.350 -7.784 4.661 1.00 0.00 ATOM 177 CD2 LEU 23 -3.218 -5.679 3.335 1.00 0.00 ATOM 178 O LEU 23 -6.796 -7.178 0.304 1.00 0.00 ATOM 179 C LEU 23 -7.087 -6.890 1.462 1.00 0.00 ATOM 180 N ASP 24 -8.269 -7.196 2.014 1.00 0.00 ATOM 181 CA ASP 24 -9.375 -7.770 1.213 1.00 0.00 ATOM 182 CB ASP 24 -10.617 -7.883 2.169 1.00 0.00 ATOM 183 CG ASP 24 -10.507 -9.007 3.191 1.00 0.00 ATOM 184 OD1 ASP 24 -9.436 -9.663 3.283 1.00 0.00 ATOM 185 OD2 ASP 24 -11.516 -9.233 3.901 1.00 0.00 ATOM 186 O ASP 24 -9.757 -7.396 -1.126 1.00 0.00 ATOM 187 C ASP 24 -9.656 -6.903 0.004 1.00 0.00 ATOM 188 N ARG 25 -9.822 -5.607 0.245 1.00 0.00 ATOM 189 CA ARG 25 -10.169 -4.689 -0.828 1.00 0.00 ATOM 190 CB ARG 25 -10.540 -3.317 -0.262 1.00 0.00 ATOM 191 CG ARG 25 -11.867 -3.290 0.479 1.00 0.00 ATOM 192 CD ARG 25 -12.134 -1.920 1.084 1.00 0.00 ATOM 193 NE ARG 25 -13.402 -1.880 1.807 1.00 0.00 ATOM 194 CZ ARG 25 -13.812 -0.848 2.538 1.00 0.00 ATOM 195 NH1 ARG 25 -14.982 -0.899 3.162 1.00 0.00 ATOM 196 NH2 ARG 25 -13.052 0.234 2.644 1.00 0.00 ATOM 197 O ARG 25 -9.242 -4.334 -2.991 1.00 0.00 ATOM 198 C ARG 25 -9.011 -4.496 -1.797 1.00 0.00 ATOM 199 N PHE 26 -7.765 -4.505 -1.314 1.00 0.00 ATOM 200 CA PHE 26 -6.640 -4.464 -2.251 1.00 0.00 ATOM 201 CB PHE 26 -5.303 -5.122 -1.496 1.00 0.00 ATOM 202 CG PHE 26 -3.947 -4.780 -2.052 1.00 0.00 ATOM 203 CD1 PHE 26 -3.504 -3.459 -2.070 1.00 0.00 ATOM 204 CD2 PHE 26 -3.143 -5.758 -2.623 1.00 0.00 ATOM 205 CE1 PHE 26 -2.285 -3.119 -2.654 1.00 0.00 ATOM 206 CE2 PHE 26 -1.920 -5.426 -3.209 1.00 0.00 ATOM 207 CZ PHE 26 -1.494 -4.105 -3.224 1.00 0.00 ATOM 208 O PHE 26 -6.551 -5.515 -4.428 1.00 0.00 ATOM 209 C PHE 26 -6.670 -5.653 -3.213 1.00 0.00 ATOM 210 N ARG 27 -6.826 -6.933 -2.709 1.00 0.00 ATOM 211 CA ARG 27 -6.919 -8.150 -3.540 1.00 0.00 ATOM 212 CB ARG 27 -7.067 -9.413 -2.689 1.00 0.00 ATOM 213 CG ARG 27 -5.810 -9.798 -1.925 1.00 0.00 ATOM 214 CD ARG 27 -5.923 -11.197 -1.345 1.00 0.00 ATOM 215 NE ARG 27 -6.976 -11.289 -0.336 1.00 0.00 ATOM 216 CZ ARG 27 -6.802 -11.013 0.952 1.00 0.00 ATOM 217 NH1 ARG 27 -7.818 -11.125 1.797 1.00 0.00 ATOM 218 NH2 ARG 27 -5.613 -10.626 1.394 1.00 0.00 ATOM 219 O ARG 27 -8.014 -8.485 -5.636 1.00 0.00 ATOM 220 C ARG 27 -8.103 -8.071 -4.477 1.00 0.00 ATOM 221 N GLU 28 -9.221 -7.518 -3.991 1.00 0.00 ATOM 222 CA GLU 28 -10.421 -7.333 -4.838 1.00 0.00 ATOM 223 CB GLU 28 -11.555 -6.700 -4.027 1.00 0.00 ATOM 224 CG GLU 28 -12.846 -6.514 -4.809 1.00 0.00 ATOM 225 CD GLU 28 -13.956 -5.917 -3.966 1.00 0.00 ATOM 226 OE1 GLU 28 -13.719 -5.662 -2.766 1.00 0.00 ATOM 227 OE2 GLU 28 -15.062 -5.705 -4.504 1.00 0.00 ATOM 228 O GLU 28 -10.371 -6.774 -7.183 1.00 0.00 ATOM 229 C GLU 28 -10.104 -6.419 -6.024 1.00 0.00 ATOM 230 N PHE 29 -9.555 -5.232 -5.747 1.00 0.00 ATOM 231 CA PHE 29 -9.363 -4.250 -6.814 1.00 0.00 ATOM 232 CB PHE 29 -9.059 -2.871 -6.223 1.00 0.00 ATOM 233 CG PHE 29 -9.006 -1.772 -7.246 1.00 0.00 ATOM 234 CD1 PHE 29 -10.166 -1.296 -7.833 1.00 0.00 ATOM 235 CD2 PHE 29 -7.797 -1.212 -7.619 1.00 0.00 ATOM 236 CE1 PHE 29 -10.117 -0.284 -8.772 1.00 0.00 ATOM 237 CE2 PHE 29 -7.748 -0.201 -8.561 1.00 0.00 ATOM 238 CZ PHE 29 -8.902 0.264 -9.136 1.00 0.00 ATOM 239 O PHE 29 -8.247 -4.240 -8.924 1.00 0.00 ATOM 240 C PHE 29 -8.211 -4.628 -7.746 1.00 0.00 ATOM 241 N PHE 30 -7.202 -5.365 -7.260 1.00 0.00 ATOM 242 CA PHE 30 -6.076 -5.734 -8.119 1.00 0.00 ATOM 243 CB PHE 30 -4.766 -5.656 -7.332 1.00 0.00 ATOM 244 CG PHE 30 -4.421 -4.272 -6.865 1.00 0.00 ATOM 245 CD1 PHE 30 -4.639 -3.894 -5.551 1.00 0.00 ATOM 246 CD2 PHE 30 -3.880 -3.345 -7.738 1.00 0.00 ATOM 247 CE1 PHE 30 -4.321 -2.620 -5.120 1.00 0.00 ATOM 248 CE2 PHE 30 -3.562 -2.070 -7.308 1.00 0.00 ATOM 249 CZ PHE 30 -3.781 -1.707 -6.005 1.00 0.00 ATOM 250 O PHE 30 -5.259 -7.640 -9.285 1.00 0.00 ATOM 251 C PHE 30 -6.200 -7.146 -8.667 1.00 0.00 ATOM 252 N GLU 31 -7.353 -7.795 -8.471 1.00 0.00 ATOM 253 CA GLU 31 -7.576 -9.126 -9.021 1.00 0.00 ATOM 254 CB GLU 31 -7.611 -9.076 -10.550 1.00 0.00 ATOM 255 CG GLU 31 -8.730 -8.217 -11.116 1.00 0.00 ATOM 256 CD GLU 31 -8.725 -8.178 -12.633 1.00 0.00 ATOM 257 OE1 GLU 31 -7.895 -8.887 -13.240 1.00 0.00 ATOM 258 OE2 GLU 31 -9.549 -7.440 -13.211 1.00 0.00 ATOM 259 O GLU 31 -5.963 -10.879 -9.409 1.00 0.00 ATOM 260 C GLU 31 -6.459 -10.035 -8.593 1.00 0.00 ATOM 261 N LEU 32 -6.227 -10.115 -7.281 1.00 0.00 ATOM 262 CA LEU 32 -5.160 -10.972 -6.725 1.00 0.00 ATOM 263 CB LEU 32 -4.303 -10.171 -5.732 1.00 0.00 ATOM 264 CG LEU 32 -3.741 -8.837 -6.251 1.00 0.00 ATOM 265 CD1 LEU 32 -2.944 -8.124 -5.162 1.00 0.00 ATOM 266 CD2 LEU 32 -2.887 -9.046 -7.495 1.00 0.00 ATOM 267 O LEU 32 -6.866 -12.230 -5.632 1.00 0.00 ATOM 268 C LEU 32 -5.725 -12.214 -6.085 1.00 0.00 ATOM 269 N GLU 33 -4.842 -13.286 -5.900 1.00 0.00 ATOM 270 CA GLU 33 -5.226 -14.503 -5.215 1.00 0.00 ATOM 271 CB GLU 33 -4.274 -15.671 -5.485 1.00 0.00 ATOM 272 CG GLU 33 -4.309 -16.184 -6.916 1.00 0.00 ATOM 273 CD GLU 33 -3.395 -17.373 -7.132 1.00 0.00 ATOM 274 OE1 GLU 33 -2.707 -17.775 -6.170 1.00 0.00 ATOM 275 OE2 GLU 33 -3.366 -17.902 -8.262 1.00 0.00 ATOM 276 O GLU 33 -4.667 -13.300 -3.174 1.00 0.00 ATOM 277 C GLU 33 -5.282 -14.244 -3.697 1.00 0.00 ATOM 278 N ALA 34 -5.947 -15.141 -2.984 1.00 0.00 ATOM 279 CA ALA 34 -6.193 -14.946 -1.566 1.00 0.00 ATOM 280 CB ALA 34 -7.053 -16.072 -1.012 1.00 0.00 ATOM 281 O ALA 34 -4.882 -14.272 0.292 1.00 0.00 ATOM 282 C ALA 34 -4.922 -14.923 -0.750 1.00 0.00 ATOM 283 N PRO 35 -3.871 -15.686 -1.250 1.00 0.00 ATOM 284 CA PRO 35 -2.619 -15.772 -0.507 1.00 0.00 ATOM 285 CB PRO 35 -2.109 -17.183 -0.804 1.00 0.00 ATOM 286 CG PRO 35 -2.481 -17.423 -2.229 1.00 0.00 ATOM 287 CD PRO 35 -3.813 -16.755 -2.429 1.00 0.00 ATOM 288 O PRO 35 -0.425 -14.875 -0.569 1.00 0.00 ATOM 289 C PRO 35 -1.593 -14.745 -0.924 1.00 0.00 ATOM 290 N LEU 36 -1.987 -13.688 -1.627 1.00 0.00 ATOM 291 CA LEU 36 -1.027 -12.732 -2.159 1.00 0.00 ATOM 292 CB LEU 36 -1.750 -11.555 -2.816 1.00 0.00 ATOM 293 CG LEU 36 -2.482 -11.854 -4.125 1.00 0.00 ATOM 294 CD1 LEU 36 -3.290 -10.647 -4.577 1.00 0.00 ATOM 295 CD2 LEU 36 -1.494 -12.204 -5.227 1.00 0.00 ATOM 296 O LEU 36 1.114 -12.145 -1.228 1.00 0.00 ATOM 297 C LEU 36 -0.103 -12.231 -1.041 1.00 0.00 ATOM 298 N PRO 37 -0.687 -11.836 0.103 1.00 0.00 ATOM 299 CA PRO 37 0.114 -11.261 1.199 1.00 0.00 ATOM 300 CB PRO 37 -0.816 -10.177 1.748 1.00 0.00 ATOM 301 CG PRO 37 -2.178 -10.784 1.683 1.00 0.00 ATOM 302 CD PRO 37 -2.203 -11.617 0.432 1.00 0.00 ATOM 303 O PRO 37 1.149 -11.865 3.282 1.00 0.00 ATOM 304 C PRO 37 0.530 -12.257 2.276 1.00 0.00 ATOM 305 N GLY 38 0.206 -13.523 2.029 1.00 0.00 ATOM 306 CA GLY 38 0.813 -14.619 2.799 1.00 0.00 ATOM 307 O GLY 38 -0.541 -14.072 4.717 1.00 0.00 ATOM 308 C GLY 38 0.456 -14.647 4.267 1.00 0.00 ATOM 309 N GLU 39 1.304 -15.386 5.128 1.00 0.00 ATOM 310 CA GLU 39 1.032 -15.497 6.554 1.00 0.00 ATOM 311 CB GLU 39 2.038 -16.439 7.220 1.00 0.00 ATOM 312 CG GLU 39 1.856 -17.902 6.852 1.00 0.00 ATOM 313 CD GLU 39 2.941 -18.788 7.428 1.00 0.00 ATOM 314 OE1 GLU 39 3.879 -18.248 8.055 1.00 0.00 ATOM 315 OE2 GLU 39 2.857 -20.022 7.255 1.00 0.00 ATOM 316 O GLU 39 0.351 -13.858 8.149 1.00 0.00 ATOM 317 C GLU 39 1.123 -14.145 7.234 1.00 0.00 ATOM 318 N ALA 40 2.069 -13.309 6.822 1.00 0.00 ATOM 319 CA ALA 40 2.165 -12.011 7.412 1.00 0.00 ATOM 320 CB ALA 40 3.289 -11.216 6.765 1.00 0.00 ATOM 321 O ALA 40 0.375 -10.582 8.125 1.00 0.00 ATOM 322 C ALA 40 0.898 -11.193 7.193 1.00 0.00 ATOM 323 N GLY 41 0.359 -11.143 5.898 1.00 0.00 ATOM 324 CA GLY 41 -0.839 -10.389 5.585 1.00 0.00 ATOM 325 O GLY 41 -2.797 -10.081 6.908 1.00 0.00 ATOM 326 C GLY 41 -1.987 -10.876 6.435 1.00 0.00 ATOM 327 N GLY 42 -2.087 -12.189 6.645 1.00 0.00 ATOM 328 CA GLY 42 -3.173 -12.733 7.451 1.00 0.00 ATOM 329 O GLY 42 -4.215 -12.229 9.526 1.00 0.00 ATOM 330 C GLY 42 -3.166 -12.223 8.871 1.00 0.00 ATOM 331 N ASN 43 -2.013 -11.648 9.399 1.00 0.00 ATOM 332 CA ASN 43 -1.913 -11.132 10.746 1.00 0.00 ATOM 333 CB ASN 43 -0.465 -11.066 11.205 1.00 0.00 ATOM 334 CG ASN 43 0.162 -12.441 11.337 1.00 0.00 ATOM 335 ND2 ASN 43 1.040 -12.787 10.401 1.00 0.00 ATOM 336 OD1 ASN 43 -0.145 -13.188 12.266 1.00 0.00 ATOM 337 O ASN 43 -2.620 -9.234 12.016 1.00 0.00 ATOM 338 C ASN 43 -2.496 -9.740 10.884 1.00 0.00 ATOM 339 N ILE 44 -2.871 -9.120 9.761 1.00 0.00 ATOM 340 CA ILE 44 -3.304 -7.722 9.790 1.00 0.00 ATOM 341 CB ILE 44 -2.186 -6.776 9.312 1.00 0.00 ATOM 342 CG1 ILE 44 -1.753 -7.137 7.890 1.00 0.00 ATOM 343 CG2 ILE 44 -0.975 -6.880 10.226 1.00 0.00 ATOM 344 CD1 ILE 44 -2.512 -6.392 6.814 1.00 0.00 ATOM 345 O ILE 44 -5.006 -8.495 8.284 1.00 0.00 ATOM 346 C ILE 44 -4.546 -7.547 8.939 1.00 0.00 ATOM 347 N HIS 45 -5.071 -6.328 8.920 1.00 0.00 ATOM 348 CA HIS 45 -6.320 -6.043 8.220 1.00 0.00 ATOM 349 CB HIS 45 -7.376 -5.434 9.145 1.00 0.00 ATOM 350 CG HIS 45 -7.846 -6.363 10.219 1.00 0.00 ATOM 351 CD2 HIS 45 -7.673 -6.456 11.662 1.00 0.00 ATOM 352 ND1 HIS 45 -8.648 -7.455 9.962 1.00 0.00 ATOM 353 CE1 HIS 45 -8.902 -8.093 11.119 1.00 0.00 ATOM 354 NE2 HIS 45 -8.321 -7.499 12.142 1.00 0.00 ATOM 355 O HIS 45 -7.008 -5.057 6.158 1.00 0.00 ATOM 356 C HIS 45 -6.173 -5.062 7.063 1.00 0.00 ATOM 357 N THR 46 -5.164 -4.200 7.120 1.00 0.00 ATOM 358 CA THR 46 -5.069 -3.111 6.148 1.00 0.00 ATOM 359 CB THR 46 -5.339 -1.744 6.804 1.00 0.00 ATOM 360 CG2 THR 46 -6.693 -1.746 7.501 1.00 0.00 ATOM 361 OG1 THR 46 -4.319 -1.465 7.771 1.00 0.00 ATOM 362 O THR 46 -2.726 -3.584 5.992 1.00 0.00 ATOM 363 C THR 46 -3.702 -3.018 5.493 1.00 0.00 ATOM 364 N LEU 47 -3.646 -2.268 4.406 1.00 0.00 ATOM 365 CA LEU 47 -2.376 -2.071 3.713 1.00 0.00 ATOM 366 CB LEU 47 -2.550 -1.172 2.534 1.00 0.00 ATOM 367 CG LEU 47 -3.371 -1.836 1.396 1.00 0.00 ATOM 368 CD1 LEU 47 -3.690 -0.786 0.345 1.00 0.00 ATOM 369 CD2 LEU 47 -2.542 -2.968 0.802 1.00 0.00 ATOM 370 O LEU 47 -0.167 -1.808 4.660 1.00 0.00 ATOM 371 C LEU 47 -1.337 -1.408 4.626 1.00 0.00 ATOM 372 N ALA 48 -1.746 -0.368 5.352 1.00 0.00 ATOM 373 CA ALA 48 -0.813 0.227 6.296 1.00 0.00 ATOM 374 CB ALA 48 -1.434 1.448 6.957 1.00 0.00 ATOM 375 O ALA 48 0.766 -0.839 7.749 1.00 0.00 ATOM 376 C ALA 48 -0.387 -0.806 7.343 1.00 0.00 ATOM 377 N GLY 49 -1.336 -1.667 7.782 1.00 0.00 ATOM 378 CA GLY 49 -1.028 -2.707 8.756 1.00 0.00 ATOM 379 O GLY 49 0.954 -3.983 8.952 1.00 0.00 ATOM 380 C GLY 49 0.040 -3.638 8.229 1.00 0.00 ATOM 381 N VAL 50 -0.045 -3.994 6.951 1.00 0.00 ATOM 382 CA VAL 50 0.968 -4.869 6.341 1.00 0.00 ATOM 383 CB VAL 50 0.634 -5.229 4.881 1.00 0.00 ATOM 384 CG1 VAL 50 1.797 -5.966 4.235 1.00 0.00 ATOM 385 CG2 VAL 50 -0.596 -6.122 4.820 1.00 0.00 ATOM 386 O VAL 50 3.340 -4.756 6.733 1.00 0.00 ATOM 387 C VAL 50 2.328 -4.152 6.371 1.00 0.00 ATOM 388 N MET 51 2.315 -2.779 6.227 1.00 0.00 ATOM 389 CA MET 51 3.569 -2.036 6.271 1.00 0.00 ATOM 390 CB MET 51 3.391 -0.597 6.034 1.00 0.00 ATOM 391 CG MET 51 2.976 -0.297 4.611 1.00 0.00 ATOM 392 SD MET 51 4.108 -0.921 3.392 1.00 0.00 ATOM 393 CE MET 51 3.243 -2.275 2.794 1.00 0.00 ATOM 394 O MET 51 5.382 -2.435 7.803 1.00 0.00 ATOM 395 C MET 51 4.180 -2.109 7.659 1.00 0.00 ATOM 396 N LEU 52 3.355 -1.868 8.696 1.00 0.00 ATOM 397 CA LEU 52 3.868 -1.924 10.072 1.00 0.00 ATOM 398 CB LEU 52 2.779 -1.512 11.066 1.00 0.00 ATOM 399 CG LEU 52 2.369 -0.039 11.049 1.00 0.00 ATOM 400 CD1 LEU 52 1.164 0.194 11.948 1.00 0.00 ATOM 401 CD2 LEU 52 3.506 0.844 11.542 1.00 0.00 ATOM 402 O LEU 52 5.343 -3.502 11.134 1.00 0.00 ATOM 403 C LEU 52 4.349 -3.328 10.424 1.00 0.00 ATOM 404 N TYR 53 3.626 -4.345 9.963 1.00 0.00 ATOM 405 CA TYR 53 3.997 -5.737 10.270 1.00 0.00 ATOM 406 CB TYR 53 2.931 -6.745 9.801 1.00 0.00 ATOM 407 CG TYR 53 3.351 -8.133 10.160 1.00 0.00 ATOM 408 CD1 TYR 53 3.140 -8.620 11.428 1.00 0.00 ATOM 409 CD2 TYR 53 4.023 -8.935 9.239 1.00 0.00 ATOM 410 CE1 TYR 53 3.565 -9.870 11.774 1.00 0.00 ATOM 411 CE2 TYR 53 4.465 -10.177 9.568 1.00 0.00 ATOM 412 CZ TYR 53 4.227 -10.648 10.843 1.00 0.00 ATOM 413 OH TYR 53 4.656 -11.882 11.198 1.00 0.00 ATOM 414 O TYR 53 6.205 -6.715 10.342 1.00 0.00 ATOM 415 C TYR 53 5.384 -6.071 9.683 1.00 0.00 ATOM 416 N GLN 54 5.623 -5.602 8.493 1.00 0.00 ATOM 417 CA GLN 54 6.907 -5.825 7.816 1.00 0.00 ATOM 418 CB GLN 54 6.909 -5.327 6.412 1.00 0.00 ATOM 419 CG GLN 54 5.893 -6.051 5.540 1.00 0.00 ATOM 420 CD GLN 54 5.860 -5.462 4.137 1.00 0.00 ATOM 421 OE1 GLN 54 5.502 -4.304 3.941 1.00 0.00 ATOM 422 NE2 GLN 54 6.246 -6.288 3.174 1.00 0.00 ATOM 423 O GLN 54 9.071 -5.644 8.891 1.00 0.00 ATOM 424 C GLN 54 8.022 -5.070 8.551 1.00 0.00 ATOM 425 N LEU 55 7.796 -3.781 8.808 1.00 0.00 ATOM 426 CA LEU 55 8.887 -2.912 9.269 1.00 0.00 ATOM 427 CB LEU 55 8.549 -1.442 8.874 1.00 0.00 ATOM 428 CG LEU 55 9.557 -0.386 9.335 1.00 0.00 ATOM 429 CD1 LEU 55 10.928 -0.700 8.747 1.00 0.00 ATOM 430 CD2 LEU 55 9.100 1.002 8.912 1.00 0.00 ATOM 431 O LEU 55 10.242 -2.965 11.246 1.00 0.00 ATOM 432 C LEU 55 9.103 -3.014 10.773 1.00 0.00 ATOM 433 N GLY 56 8.007 -3.094 11.538 1.00 0.00 ATOM 434 CA GLY 56 8.083 -3.215 12.985 1.00 0.00 ATOM 435 O GLY 56 9.210 -2.071 14.780 1.00 0.00 ATOM 436 C GLY 56 8.589 -1.985 13.692 1.00 0.00 ATOM 437 N ARG 57 8.598 -0.738 12.704 1.00 0.00 ATOM 438 CA ARG 57 9.060 0.543 13.236 1.00 0.00 ATOM 439 CB ARG 57 10.231 1.089 12.422 1.00 0.00 ATOM 440 CG ARG 57 10.755 2.412 12.975 1.00 0.00 ATOM 441 CD ARG 57 11.995 2.937 12.321 1.00 0.00 ATOM 442 NE ARG 57 11.852 3.273 10.919 1.00 0.00 ATOM 443 CZ ARG 57 11.435 4.469 10.497 1.00 0.00 ATOM 444 NH1 ARG 57 11.086 5.470 11.337 1.00 0.00 ATOM 445 NH2 ARG 57 11.339 4.682 9.207 1.00 0.00 ATOM 446 O ARG 57 7.270 1.419 11.907 1.00 0.00 ATOM 447 C ARG 57 8.039 1.602 12.869 1.00 0.00 ATOM 448 N VAL 58 8.047 2.723 13.580 1.00 0.00 ATOM 449 CA VAL 58 7.136 3.804 13.199 1.00 0.00 ATOM 450 CB VAL 58 7.214 4.873 14.287 1.00 0.00 ATOM 451 CG1 VAL 58 8.669 5.313 14.454 1.00 0.00 ATOM 452 CG2 VAL 58 6.395 6.065 13.830 1.00 0.00 ATOM 453 O VAL 58 8.671 4.446 11.465 1.00 0.00 ATOM 454 C VAL 58 7.486 4.269 11.783 1.00 0.00 ATOM 455 N PRO 59 6.478 4.561 10.968 1.00 0.00 ATOM 456 CA PRO 59 6.716 4.901 9.559 1.00 0.00 ATOM 457 CB PRO 59 5.368 4.641 8.895 1.00 0.00 ATOM 458 CG PRO 59 4.376 4.806 10.001 1.00 0.00 ATOM 459 CD PRO 59 5.056 4.192 11.198 1.00 0.00 ATOM 460 O PRO 59 6.566 7.274 10.093 1.00 0.00 ATOM 461 C PRO 59 6.985 6.381 9.305 1.00 0.00 ATOM 462 N SER 60 7.692 6.636 8.198 1.00 0.00 ATOM 463 CA SER 60 7.869 7.977 7.666 1.00 0.00 ATOM 464 CB SER 60 9.326 8.415 7.825 1.00 0.00 ATOM 465 OG SER 60 9.705 8.439 9.191 1.00 0.00 ATOM 466 O SER 60 7.613 6.968 5.486 1.00 0.00 ATOM 467 C SER 60 7.495 7.985 6.193 1.00 0.00 ATOM 468 N VAL 61 7.141 9.173 5.705 1.00 0.00 ATOM 469 CA VAL 61 7.028 9.355 4.252 1.00 0.00 ATOM 470 CB VAL 61 6.671 10.810 3.893 1.00 0.00 ATOM 471 CG1 VAL 61 6.729 11.017 2.386 1.00 0.00 ATOM 472 CG2 VAL 61 5.267 11.147 4.371 1.00 0.00 ATOM 473 O VAL 61 9.469 9.358 4.078 1.00 0.00 ATOM 474 C VAL 61 8.370 9.004 3.599 1.00 0.00 ATOM 475 N THR 62 8.488 8.052 2.455 1.00 0.00 ATOM 476 CA THR 62 9.674 7.561 1.758 1.00 0.00 ATOM 477 CB THR 62 10.726 8.759 1.741 1.00 0.00 ATOM 478 CG2 THR 62 12.027 8.328 1.058 1.00 0.00 ATOM 479 OG1 THR 62 10.169 9.874 1.029 1.00 0.00 ATOM 480 O THR 62 10.936 5.549 1.416 1.00 0.00 ATOM 481 C THR 62 10.114 6.145 2.114 1.00 0.00 ATOM 482 N ASP 63 9.536 5.592 3.176 1.00 0.00 ATOM 483 CA ASP 63 9.878 4.258 3.595 1.00 0.00 ATOM 484 CB ASP 63 9.247 3.905 4.944 1.00 0.00 ATOM 485 CG ASP 63 9.921 4.606 6.106 1.00 0.00 ATOM 486 OD1 ASP 63 10.999 5.201 5.895 1.00 0.00 ATOM 487 OD2 ASP 63 9.374 4.562 7.226 1.00 0.00 ATOM 488 O ASP 63 8.303 3.476 1.977 1.00 0.00 ATOM 489 C ASP 63 9.351 3.260 2.589 1.00 0.00 ATOM 490 N ARG 64 10.075 2.160 2.413 1.00 0.00 ATOM 491 CA ARG 64 9.663 1.127 1.471 1.00 0.00 ATOM 492 CB ARG 64 10.353 1.240 0.156 1.00 0.00 ATOM 493 CG ARG 64 11.775 0.997 0.216 1.00 0.00 ATOM 494 CD ARG 64 12.558 1.270 -1.101 1.00 0.00 ATOM 495 NE ARG 64 12.394 2.589 -1.630 1.00 0.00 ATOM 496 CZ ARG 64 12.857 3.005 -2.816 1.00 0.00 ATOM 497 NH1 ARG 64 13.597 2.209 -3.563 1.00 0.00 ATOM 498 NH2 ARG 64 12.657 4.262 -3.232 1.00 0.00 ATOM 499 O ARG 64 10.579 -0.463 2.958 1.00 0.00 ATOM 500 C ARG 64 9.707 -0.216 2.142 1.00 0.00 ATOM 501 N PHE 65 8.808 -1.126 1.678 1.00 0.00 ATOM 502 CA PHE 65 8.812 -2.499 2.148 1.00 0.00 ATOM 503 CB PHE 65 7.670 -2.704 3.107 1.00 0.00 ATOM 504 CG PHE 65 7.793 -1.827 4.321 1.00 0.00 ATOM 505 CD1 PHE 65 7.312 -0.516 4.300 1.00 0.00 ATOM 506 CD2 PHE 65 8.467 -2.278 5.439 1.00 0.00 ATOM 507 CE1 PHE 65 7.505 0.348 5.379 1.00 0.00 ATOM 508 CE2 PHE 65 8.668 -1.432 6.525 1.00 0.00 ATOM 509 CZ PHE 65 8.183 -0.110 6.493 1.00 0.00 ATOM 510 O PHE 65 8.074 -3.027 -0.058 1.00 0.00 ATOM 511 C PHE 65 8.609 -3.441 0.982 1.00 0.00 ATOM 512 N GLU 66 9.032 -4.690 1.137 1.00 0.00 ATOM 513 CA GLU 66 8.887 -5.689 0.070 1.00 0.00 ATOM 514 CB GLU 66 10.252 -6.127 -0.464 1.00 0.00 ATOM 515 CG GLU 66 11.014 -5.031 -1.190 1.00 0.00 ATOM 516 CD GLU 66 12.335 -5.516 -1.757 1.00 0.00 ATOM 517 OE1 GLU 66 12.660 -6.707 -1.567 1.00 0.00 ATOM 518 OE2 GLU 66 13.043 -4.706 -2.391 1.00 0.00 ATOM 519 O GLU 66 8.452 -7.345 1.751 1.00 0.00 ATOM 520 C GLU 66 8.166 -6.902 0.632 1.00 0.00 ATOM 521 N TRP 67 7.192 -7.419 -0.122 1.00 0.00 ATOM 522 CA TRP 67 6.617 -8.728 0.156 1.00 0.00 ATOM 523 CB TRP 67 5.300 -8.581 0.921 1.00 0.00 ATOM 524 CG TRP 67 4.745 -9.882 1.414 1.00 0.00 ATOM 525 CD1 TRP 67 3.684 -10.568 0.897 1.00 0.00 ATOM 526 CD2 TRP 67 5.222 -10.654 2.524 1.00 0.00 ATOM 527 CE2 TRP 67 4.401 -11.794 2.619 1.00 0.00 ATOM 528 CE3 TRP 67 6.261 -10.491 3.444 1.00 0.00 ATOM 529 NE1 TRP 67 3.469 -11.720 1.614 1.00 0.00 ATOM 530 CZ2 TRP 67 4.588 -12.768 3.601 1.00 0.00 ATOM 531 CZ3 TRP 67 6.443 -11.458 4.414 1.00 0.00 ATOM 532 CH2 TRP 67 5.613 -12.582 4.487 1.00 0.00 ATOM 533 O TRP 67 5.396 -9.041 -1.897 1.00 0.00 ATOM 534 C TRP 67 6.409 -9.327 -1.239 1.00 0.00 ATOM 535 N ASN 68 7.408 -10.097 -1.697 1.00 0.00 ATOM 536 CA ASN 68 7.479 -10.422 -3.121 1.00 0.00 ATOM 537 CB ASN 68 8.598 -11.431 -3.386 1.00 0.00 ATOM 538 CG ASN 68 9.979 -10.824 -3.227 1.00 0.00 ATOM 539 ND2 ASN 68 10.967 -11.669 -2.960 1.00 0.00 ATOM 540 OD1 ASN 68 10.150 -9.610 -3.343 1.00 0.00 ATOM 541 O ASN 68 5.584 -11.884 -2.911 1.00 0.00 ATOM 542 C ASN 68 6.150 -11.031 -3.592 1.00 0.00 ATOM 543 N GLY 69 5.640 -10.529 -4.958 1.00 0.00 ATOM 544 CA GLY 69 6.306 -9.682 -5.949 1.00 0.00 ATOM 545 O GLY 69 6.311 -7.430 -6.689 1.00 0.00 ATOM 546 C GLY 69 6.044 -8.192 -5.763 1.00 0.00 ATOM 547 N PHE 70 5.493 -7.791 -4.617 1.00 0.00 ATOM 548 CA PHE 70 5.085 -6.394 -4.419 1.00 0.00 ATOM 549 CB PHE 70 3.839 -6.317 -3.535 1.00 0.00 ATOM 550 CG PHE 70 2.596 -6.846 -4.192 1.00 0.00 ATOM 551 CD1 PHE 70 2.153 -8.131 -3.932 1.00 0.00 ATOM 552 CD2 PHE 70 1.870 -6.058 -5.068 1.00 0.00 ATOM 553 CE1 PHE 70 1.009 -8.617 -4.537 1.00 0.00 ATOM 554 CE2 PHE 70 0.727 -6.545 -5.672 1.00 0.00 ATOM 555 CZ PHE 70 0.296 -7.818 -5.410 1.00 0.00 ATOM 556 O PHE 70 6.676 -5.989 -2.680 1.00 0.00 ATOM 557 C PHE 70 6.123 -5.566 -3.699 1.00 0.00 ATOM 558 N SER 71 6.264 -4.335 -4.154 1.00 0.00 ATOM 559 CA SER 71 7.034 -3.333 -3.436 1.00 0.00 ATOM 560 CB SER 71 8.203 -2.879 -4.312 1.00 0.00 ATOM 561 OG SER 71 8.998 -1.914 -3.644 1.00 0.00 ATOM 562 O SER 71 5.272 -1.761 -3.876 1.00 0.00 ATOM 563 C SER 71 6.127 -2.160 -3.076 1.00 0.00 ATOM 564 N PHE 72 6.179 -1.727 -1.833 1.00 0.00 ATOM 565 CA PHE 72 5.344 -0.631 -1.360 1.00 0.00 ATOM 566 CB PHE 72 4.478 -1.097 -0.171 1.00 0.00 ATOM 567 CG PHE 72 3.622 -2.302 -0.453 1.00 0.00 ATOM 568 CD1 PHE 72 4.136 -3.593 -0.261 1.00 0.00 ATOM 569 CD2 PHE 72 2.312 -2.158 -0.917 1.00 0.00 ATOM 570 CE1 PHE 72 3.346 -4.720 -0.492 1.00 0.00 ATOM 571 CE2 PHE 72 1.492 -3.306 -1.185 1.00 0.00 ATOM 572 CZ PHE 72 2.028 -4.580 -0.976 1.00 0.00 ATOM 573 O PHE 72 7.236 0.285 -0.188 1.00 0.00 ATOM 574 C PHE 72 6.237 0.508 -0.891 1.00 0.00 ATOM 575 N GLU 73 5.773 1.710 -1.175 1.00 0.00 ATOM 576 CA GLU 73 6.369 2.937 -0.634 1.00 0.00 ATOM 577 CB GLU 73 7.176 3.665 -1.743 1.00 0.00 ATOM 578 CG GLU 73 8.052 4.830 -1.280 1.00 0.00 ATOM 579 CD GLU 73 9.002 5.382 -2.352 1.00 0.00 ATOM 580 OE1 GLU 73 8.978 4.932 -3.534 1.00 0.00 ATOM 581 OE2 GLU 73 9.787 6.289 -1.995 1.00 0.00 ATOM 582 O GLU 73 4.231 4.075 -0.515 1.00 0.00 ATOM 583 C GLU 73 5.333 3.868 0.017 1.00 0.00 ATOM 584 N VAL 74 5.686 4.411 1.193 1.00 0.00 ATOM 585 CA VAL 74 4.793 5.400 1.834 1.00 0.00 ATOM 586 CB VAL 74 5.119 5.574 3.328 1.00 0.00 ATOM 587 CG1 VAL 74 4.231 6.642 3.948 1.00 0.00 ATOM 588 CG2 VAL 74 4.896 4.270 4.079 1.00 0.00 ATOM 589 O VAL 74 6.042 7.365 1.318 1.00 0.00 ATOM 590 C VAL 74 5.007 6.728 1.125 1.00 0.00 ATOM 591 N VAL 75 4.005 7.169 0.353 1.00 0.00 ATOM 592 CA VAL 75 4.167 8.428 -0.378 1.00 0.00 ATOM 593 CB VAL 75 3.650 8.140 -1.892 1.00 0.00 ATOM 594 CG1 VAL 75 3.674 9.434 -2.714 1.00 0.00 ATOM 595 CG2 VAL 75 4.495 7.067 -2.570 1.00 0.00 ATOM 596 O VAL 75 4.050 10.761 0.089 1.00 0.00 ATOM 597 C VAL 75 3.594 9.622 0.335 1.00 0.00 ATOM 598 N ASP 76 2.495 9.308 1.197 1.00 0.00 ATOM 599 CA ASP 76 1.938 10.446 1.921 1.00 0.00 ATOM 600 CB ASP 76 0.674 10.981 1.244 1.00 0.00 ATOM 601 CG ASP 76 0.283 12.356 1.744 1.00 0.00 ATOM 602 OD1 ASP 76 0.004 12.492 2.954 1.00 0.00 ATOM 603 OD2 ASP 76 0.256 13.300 0.927 1.00 0.00 ATOM 604 O ASP 76 0.943 8.947 3.496 1.00 0.00 ATOM 605 C ASP 76 1.556 10.015 3.318 1.00 0.00 ATOM 606 N MET 77 1.817 10.912 4.282 1.00 0.00 ATOM 607 CA MET 77 1.338 10.764 5.648 1.00 0.00 ATOM 608 CB MET 77 2.536 10.539 6.559 1.00 0.00 ATOM 609 CG MET 77 2.205 10.262 8.016 1.00 0.00 ATOM 610 SD MET 77 3.717 9.997 8.997 1.00 0.00 ATOM 611 CE MET 77 4.192 8.356 8.458 1.00 0.00 ATOM 612 O MET 77 1.225 13.126 5.692 1.00 0.00 ATOM 613 C MET 77 0.736 12.069 6.100 1.00 0.00 ATOM 614 N ASP 78 -0.243 11.993 6.995 1.00 0.00 ATOM 615 CA ASP 78 -0.637 13.184 7.765 1.00 0.00 ATOM 616 CB ASP 78 -2.126 13.122 8.137 1.00 0.00 ATOM 617 CG ASP 78 -2.536 12.117 9.175 1.00 0.00 ATOM 618 OD1 ASP 78 -1.649 11.472 9.775 1.00 0.00 ATOM 619 OD2 ASP 78 -3.784 11.931 9.366 1.00 0.00 ATOM 620 O ASP 78 1.402 12.699 8.941 1.00 0.00 ATOM 621 C ASP 78 0.293 13.271 8.989 1.00 0.00 ATOM 622 N ARG 79 -0.086 13.920 10.080 1.00 0.00 ATOM 623 CA ARG 79 0.901 14.065 11.147 1.00 0.00 ATOM 624 CB ARG 79 0.390 15.189 12.129 1.00 0.00 ATOM 625 CG ARG 79 0.422 16.618 11.576 1.00 0.00 ATOM 626 CD ARG 79 -0.430 17.637 12.423 1.00 0.00 ATOM 627 NE ARG 79 -0.174 19.085 12.245 1.00 0.00 ATOM 628 CZ ARG 79 0.166 19.720 11.111 1.00 0.00 ATOM 629 NH1 ARG 79 0.333 19.087 9.950 1.00 0.00 ATOM 630 NH2 ARG 79 0.347 21.036 11.147 1.00 0.00 ATOM 631 O ARG 79 2.351 12.614 12.373 1.00 0.00 ATOM 632 C ARG 79 1.256 12.735 11.805 1.00 0.00 ATOM 633 N THR 80 0.384 11.743 11.738 1.00 0.00 ATOM 634 CA THR 80 0.616 10.475 12.443 1.00 0.00 ATOM 635 CB THR 80 -0.268 10.343 13.697 1.00 0.00 ATOM 636 CG2 THR 80 -0.001 11.489 14.661 1.00 0.00 ATOM 637 OG1 THR 80 -1.649 10.369 13.317 1.00 0.00 ATOM 638 O THR 80 0.724 8.145 12.145 1.00 0.00 ATOM 639 C THR 80 0.353 9.212 11.662 1.00 0.00 ATOM 640 N ARG 81 -0.303 9.454 10.436 1.00 0.00 ATOM 641 CA ARG 81 -0.775 8.221 9.761 1.00 0.00 ATOM 642 CB ARG 81 -2.220 8.424 9.428 1.00 0.00 ATOM 643 CG ARG 81 -3.092 7.635 10.405 1.00 0.00 ATOM 644 CD ARG 81 -3.109 8.287 11.791 1.00 0.00 ATOM 645 NE ARG 81 -4.103 7.667 12.657 1.00 0.00 ATOM 646 CZ ARG 81 -4.884 8.337 13.505 1.00 0.00 ATOM 647 NH1 ARG 81 -4.797 9.660 13.612 1.00 0.00 ATOM 648 NH2 ARG 81 -5.788 7.687 14.228 1.00 0.00 ATOM 649 O ARG 81 -0.335 9.188 7.642 1.00 0.00 ATOM 650 C ARG 81 -0.304 8.153 8.331 1.00 0.00 ATOM 651 N VAL 82 -0.039 6.926 7.872 1.00 0.00 ATOM 652 CA VAL 82 0.135 6.695 6.440 1.00 0.00 ATOM 653 CB VAL 82 0.612 5.260 6.154 1.00 0.00 ATOM 654 CG1 VAL 82 0.709 5.020 4.656 1.00 0.00 ATOM 655 CG2 VAL 82 1.983 5.021 6.767 1.00 0.00 ATOM 656 O VAL 82 -2.173 6.237 6.055 1.00 0.00 ATOM 657 C VAL 82 -1.194 6.933 5.750 1.00 0.00 ATOM 658 N ASP 83 -1.221 7.837 4.772 1.00 0.00 ATOM 659 CA ASP 83 -2.453 8.111 4.042 1.00 0.00 ATOM 660 CB ASP 83 -2.769 9.609 4.036 1.00 0.00 ATOM 661 CG ASP 83 -2.974 10.166 5.430 1.00 0.00 ATOM 662 OD1 ASP 83 -3.810 9.612 6.175 1.00 0.00 ATOM 663 OD2 ASP 83 -2.301 11.158 5.778 1.00 0.00 ATOM 664 O ASP 83 -3.434 7.456 1.985 1.00 0.00 ATOM 665 C ASP 83 -2.378 7.656 2.581 1.00 0.00 ATOM 666 N LYS 84 -1.111 7.559 1.970 1.00 0.00 ATOM 667 CA LYS 84 -1.049 6.992 0.622 1.00 0.00 ATOM 668 CB LYS 84 -0.926 8.109 -0.418 1.00 0.00 ATOM 669 CG LYS 84 -2.165 8.981 -0.539 1.00 0.00 ATOM 670 CD LYS 84 -2.027 9.980 -1.676 1.00 0.00 ATOM 671 CE LYS 84 -3.314 10.764 -1.880 1.00 0.00 ATOM 672 NZ LYS 84 -3.197 11.740 -3.000 1.00 0.00 ATOM 673 O LYS 84 1.286 6.557 0.711 1.00 0.00 ATOM 674 C LYS 84 0.174 6.112 0.448 1.00 0.00 ATOM 675 N ILE 85 -0.057 4.983 -0.119 1.00 0.00 ATOM 676 CA ILE 85 0.975 3.974 -0.388 1.00 0.00 ATOM 677 CB ILE 85 0.767 2.652 0.371 1.00 0.00 ATOM 678 CG1 ILE 85 0.793 2.892 1.882 1.00 0.00 ATOM 679 CG2 ILE 85 1.866 1.659 0.022 1.00 0.00 ATOM 680 CD1 ILE 85 0.373 1.691 2.699 1.00 0.00 ATOM 681 O ILE 85 -0.053 3.507 -2.491 1.00 0.00 ATOM 682 C ILE 85 0.993 3.681 -1.879 1.00 0.00 ATOM 683 N LEU 86 2.174 3.631 -2.448 1.00 0.00 ATOM 684 CA LEU 86 2.388 3.243 -3.834 1.00 0.00 ATOM 685 CB LEU 86 3.601 3.937 -4.456 1.00 0.00 ATOM 686 CG LEU 86 3.959 3.522 -5.886 1.00 0.00 ATOM 687 CD1 LEU 86 2.869 3.946 -6.857 1.00 0.00 ATOM 688 CD2 LEU 86 5.265 4.171 -6.322 1.00 0.00 ATOM 689 O LEU 86 3.655 1.318 -3.209 1.00 0.00 ATOM 690 C LEU 86 2.687 1.756 -3.854 1.00 0.00 ATOM 691 N VAL 87 1.933 1.017 -4.678 1.00 0.00 ATOM 692 CA VAL 87 2.266 -0.355 -4.991 1.00 0.00 ATOM 693 CB VAL 87 0.992 -1.231 -5.035 1.00 0.00 ATOM 694 CG1 VAL 87 1.382 -2.675 -5.390 1.00 0.00 ATOM 695 CG2 VAL 87 0.180 -1.219 -3.719 1.00 0.00 ATOM 696 O VAL 87 2.381 0.138 -7.303 1.00 0.00 ATOM 697 C VAL 87 2.934 -0.369 -6.332 1.00 0.00 ATOM 698 N GLN 88 4.187 -0.833 -6.337 1.00 0.00 ATOM 699 CA GLN 88 4.963 -0.919 -7.557 1.00 0.00 ATOM 700 CB GLN 88 6.352 -0.236 -7.394 1.00 0.00 ATOM 701 CG GLN 88 7.047 0.079 -8.721 1.00 0.00 ATOM 702 CD GLN 88 8.240 1.017 -8.509 1.00 0.00 ATOM 703 OE1 GLN 88 8.562 1.855 -9.368 1.00 0.00 ATOM 704 NE2 GLN 88 8.885 0.902 -7.366 1.00 0.00 ATOM 705 O GLN 88 5.545 -3.229 -7.091 1.00 0.00 ATOM 706 C GLN 88 5.120 -2.416 -7.916 1.00 0.00 ATOM 707 N ARG 89 4.649 -2.755 -9.105 1.00 0.00 ATOM 708 CA ARG 89 4.720 -4.140 -9.534 1.00 0.00 ATOM 709 CB ARG 89 4.096 -4.002 -11.146 1.00 0.00 ATOM 710 CG ARG 89 3.130 -2.906 -11.499 1.00 0.00 ATOM 711 CD ARG 89 3.124 -2.684 -13.016 1.00 0.00 ATOM 712 NE ARG 89 2.704 -3.881 -13.757 1.00 0.00 ATOM 713 CZ ARG 89 2.410 -3.885 -15.056 1.00 0.00 ATOM 714 NH1 ARG 89 2.494 -2.756 -15.758 1.00 0.00 ATOM 715 NH2 ARG 89 2.009 -5.008 -15.651 1.00 0.00 ATOM 716 O ARG 89 6.619 -5.686 -9.463 1.00 0.00 ATOM 717 C ARG 89 6.194 -4.574 -9.808 1.00 0.00 ATOM 718 N HIS 90 6.918 -3.689 -10.449 1.00 0.00 ATOM 719 CA HIS 90 8.305 -4.006 -10.792 1.00 0.00 ATOM 720 CB HIS 90 8.933 -2.854 -11.585 1.00 0.00 ATOM 721 CG HIS 90 10.405 -3.007 -11.811 1.00 0.00 ATOM 722 CD2 HIS 90 11.466 -2.567 -11.094 1.00 0.00 ATOM 723 ND1 HIS 90 10.924 -3.704 -12.880 1.00 0.00 ATOM 724 CE1 HIS 90 12.244 -3.687 -12.813 1.00 0.00 ATOM 725 NE2 HIS 90 12.598 -3.005 -11.739 1.00 0.00 ATOM 726 O HIS 90 9.702 -5.362 -9.385 1.00 0.00 ATOM 727 C HIS 90 9.116 -4.290 -9.532 1.00 0.00 ATOM 728 N HIS 91 9.095 -3.351 -8.594 1.00 0.00 ATOM 729 CA HIS 91 9.842 -3.517 -7.362 1.00 0.00 ATOM 730 CB HIS 91 10.042 -2.049 -6.753 1.00 0.00 ATOM 731 CG HIS 91 11.089 -1.235 -7.402 1.00 0.00 ATOM 732 CD2 HIS 91 11.206 -0.779 -8.666 1.00 0.00 ATOM 733 ND1 HIS 91 12.158 -0.713 -6.699 1.00 0.00 ATOM 734 CE1 HIS 91 12.904 0.002 -7.523 1.00 0.00 ATOM 735 NE2 HIS 91 12.347 -0.016 -8.722 1.00 0.00 ATOM 736 O HIS 91 9.940 -5.153 -5.628 1.00 0.00 ATOM 737 C HIS 91 9.228 -4.528 -6.412 1.00 0.00 TER END