PFRMAT TS TARGET T0406 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 T0406 model 5 Fri May 16 13:54:14 2008 MODEL 5 PARENT N/A ATOM 2 N GLN 3 15.715 -9.424 12.439 1.00 0.00 ATOM 3 CA GLN 3 15.557 -10.284 11.259 1.00 0.00 ATOM 4 CB GLN 3 15.914 -11.732 11.602 1.00 0.00 ATOM 5 CG GLN 3 17.395 -11.967 11.842 1.00 0.00 ATOM 6 CD GLN 3 17.694 -13.378 12.308 1.00 0.00 ATOM 7 OE1 GLN 3 16.782 -14.175 12.530 1.00 0.00 ATOM 8 NE2 GLN 3 18.976 -13.693 12.455 1.00 0.00 ATOM 9 O GLN 3 13.826 -10.069 9.589 1.00 0.00 ATOM 10 C GLN 3 14.096 -10.223 10.781 1.00 0.00 ATOM 11 N THR 4 13.175 -10.322 11.746 1.00 0.00 ATOM 12 CA THR 4 11.730 -10.363 11.496 1.00 0.00 ATOM 13 CB THR 4 10.948 -10.756 12.763 1.00 0.00 ATOM 14 CG2 THR 4 9.453 -10.753 12.488 1.00 0.00 ATOM 15 OG1 THR 4 11.340 -12.071 13.181 1.00 0.00 ATOM 16 O THR 4 10.364 -8.997 10.099 1.00 0.00 ATOM 17 C THR 4 11.157 -9.032 11.038 1.00 0.00 ATOM 18 N ILE 5 11.553 -7.946 11.706 1.00 0.00 ATOM 19 CA ILE 5 11.114 -6.592 11.328 1.00 0.00 ATOM 20 CB ILE 5 11.609 -5.537 12.335 1.00 0.00 ATOM 21 CG1 ILE 5 11.004 -5.795 13.716 1.00 0.00 ATOM 22 CG2 ILE 5 11.208 -4.141 11.885 1.00 0.00 ATOM 23 CD1 ILE 5 9.493 -5.734 13.743 1.00 0.00 ATOM 24 O ILE 5 10.945 -5.718 9.102 1.00 0.00 ATOM 25 C ILE 5 11.677 -6.245 9.941 1.00 0.00 ATOM 26 N GLU 6 12.948 -6.555 9.696 1.00 0.00 ATOM 27 CA GLU 6 13.544 -6.296 8.383 1.00 0.00 ATOM 28 CB GLU 6 15.021 -6.692 8.377 1.00 0.00 ATOM 29 CG GLU 6 15.912 -5.776 9.201 1.00 0.00 ATOM 30 CD GLU 6 17.345 -6.268 9.273 1.00 0.00 ATOM 31 OE1 GLU 6 17.624 -7.363 8.740 1.00 0.00 ATOM 32 OE2 GLU 6 18.187 -5.559 9.863 1.00 0.00 ATOM 33 O GLU 6 12.737 -6.544 6.147 1.00 0.00 ATOM 34 C GLU 6 12.869 -7.069 7.261 1.00 0.00 ATOM 35 N GLY 7 12.455 -8.303 7.549 1.00 0.00 ATOM 36 CA GLY 7 11.721 -9.118 6.583 1.00 0.00 ATOM 37 O GLY 7 10.065 -8.321 5.056 1.00 0.00 ATOM 38 C GLY 7 10.391 -8.462 6.232 1.00 0.00 ATOM 39 N PHE 8 9.642 -8.049 7.253 1.00 0.00 ATOM 40 CA PHE 8 8.332 -7.402 7.061 1.00 0.00 ATOM 41 CB PHE 8 7.673 -7.118 8.412 1.00 0.00 ATOM 42 CG PHE 8 7.229 -8.353 9.142 1.00 0.00 ATOM 43 CD1 PHE 8 7.131 -9.566 8.482 1.00 0.00 ATOM 44 CD2 PHE 8 6.911 -8.304 10.487 1.00 0.00 ATOM 45 CE1 PHE 8 6.723 -10.704 9.154 1.00 0.00 ATOM 46 CE2 PHE 8 6.504 -9.441 11.159 1.00 0.00 ATOM 47 CZ PHE 8 6.409 -10.637 10.499 1.00 0.00 ATOM 48 O PHE 8 7.582 -5.770 5.498 1.00 0.00 ATOM 49 C PHE 8 8.441 -6.068 6.316 1.00 0.00 ATOM 50 N LEU 9 9.481 -5.281 6.602 1.00 0.00 ATOM 51 CA LEU 9 9.707 -4.012 5.910 1.00 0.00 ATOM 52 CB LEU 9 10.797 -3.204 6.616 1.00 0.00 ATOM 53 CG LEU 9 10.450 -2.667 8.007 1.00 0.00 ATOM 54 CD1 LEU 9 11.665 -2.022 8.654 1.00 0.00 ATOM 55 CD2 LEU 9 9.347 -1.624 7.921 1.00 0.00 ATOM 56 O LEU 9 9.848 -3.394 3.607 1.00 0.00 ATOM 57 C LEU 9 10.153 -4.230 4.455 1.00 0.00 ATOM 58 N GLN 10 10.875 -5.317 4.168 1.00 0.00 ATOM 59 CA GLN 10 11.258 -5.626 2.778 1.00 0.00 ATOM 60 CB GLN 10 12.241 -6.798 2.740 1.00 0.00 ATOM 61 CG GLN 10 13.618 -6.471 3.292 1.00 0.00 ATOM 62 CD GLN 10 14.529 -7.683 3.343 1.00 0.00 ATOM 63 OE1 GLN 10 14.105 -8.802 3.058 1.00 0.00 ATOM 64 NE2 GLN 10 15.787 -7.461 3.707 1.00 0.00 ATOM 65 O GLN 10 9.854 -5.554 0.816 1.00 0.00 ATOM 66 C GLN 10 10.013 -6.002 1.959 1.00 0.00 ATOM 67 N SER 11 9.140 -6.805 2.565 1.00 0.00 ATOM 68 CA SER 11 7.858 -7.219 1.972 1.00 0.00 ATOM 69 CB SER 11 7.030 -8.013 2.984 1.00 0.00 ATOM 70 OG SER 11 7.647 -9.252 3.287 1.00 0.00 ATOM 71 O SER 11 6.559 -5.892 0.410 1.00 0.00 ATOM 72 C SER 11 7.056 -5.966 1.543 1.00 0.00 ATOM 73 N TRP 12 6.994 -4.980 2.439 1.00 0.00 ATOM 74 CA TRP 12 6.311 -3.714 2.191 1.00 0.00 ATOM 75 CB TRP 12 6.213 -2.896 3.481 1.00 0.00 ATOM 76 CG TRP 12 5.549 -1.565 3.299 1.00 0.00 ATOM 77 CD1 TRP 12 6.144 -0.339 3.351 1.00 0.00 ATOM 78 CD2 TRP 12 4.161 -1.329 3.035 1.00 0.00 ATOM 79 CE2 TRP 12 3.987 0.067 2.939 1.00 0.00 ATOM 80 CE3 TRP 12 3.048 -2.159 2.869 1.00 0.00 ATOM 81 NE1 TRP 12 5.214 0.649 3.136 1.00 0.00 ATOM 82 CZ2 TRP 12 2.747 0.649 2.684 1.00 0.00 ATOM 83 CZ3 TRP 12 1.820 -1.577 2.618 1.00 0.00 ATOM 84 CH2 TRP 12 1.675 -0.188 2.527 1.00 0.00 ATOM 85 O TRP 12 6.357 -2.234 0.315 1.00 0.00 ATOM 86 C TRP 12 7.025 -2.838 1.157 1.00 0.00 ATOM 87 N THR 13 8.355 -2.760 1.219 1.00 0.00 ATOM 88 CA THR 13 9.115 -1.935 0.268 1.00 0.00 ATOM 89 CB THR 13 10.626 -1.984 0.562 1.00 0.00 ATOM 90 CG2 THR 13 11.394 -1.156 -0.458 1.00 0.00 ATOM 91 OG1 THR 13 10.878 -1.457 1.870 1.00 0.00 ATOM 92 O THR 13 8.788 -1.566 -2.065 1.00 0.00 ATOM 93 C THR 13 8.920 -2.404 -1.171 1.00 0.00 ATOM 94 N TYR 14 8.943 -3.726 -1.380 1.00 0.00 ATOM 95 CA TYR 14 8.713 -4.330 -2.711 1.00 0.00 ATOM 96 CB TYR 14 8.831 -5.853 -2.636 1.00 0.00 ATOM 97 CG TYR 14 8.581 -6.552 -3.952 1.00 0.00 ATOM 98 CD1 TYR 14 9.561 -6.590 -4.936 1.00 0.00 ATOM 99 CD2 TYR 14 7.364 -7.172 -4.209 1.00 0.00 ATOM 100 CE1 TYR 14 9.341 -7.227 -6.142 1.00 0.00 ATOM 101 CE2 TYR 14 7.126 -7.814 -5.409 1.00 0.00 ATOM 102 CZ TYR 14 8.129 -7.837 -6.379 1.00 0.00 ATOM 103 OH TYR 14 7.907 -8.471 -7.580 1.00 0.00 ATOM 104 O TYR 14 7.154 -3.648 -4.395 1.00 0.00 ATOM 105 C TYR 14 7.315 -3.975 -3.221 1.00 0.00 ATOM 106 N GLU 15 6.325 -4.041 -2.329 1.00 0.00 ATOM 107 CA GLU 15 4.938 -3.670 -2.626 1.00 0.00 ATOM 108 CB GLU 15 4.056 -3.860 -1.390 1.00 0.00 ATOM 109 CG GLU 15 3.812 -5.313 -1.019 1.00 0.00 ATOM 110 CD GLU 15 3.051 -5.462 0.286 1.00 0.00 ATOM 111 OE1 GLU 15 2.787 -4.431 0.939 1.00 0.00 ATOM 112 OE2 GLU 15 2.721 -6.608 0.654 1.00 0.00 ATOM 113 O GLU 15 4.244 -1.888 -4.103 1.00 0.00 ATOM 114 C GLU 15 4.841 -2.199 -3.062 1.00 0.00 ATOM 115 N THR 16 5.444 -1.314 -2.263 1.00 0.00 ATOM 116 CA THR 16 5.486 0.121 -2.546 1.00 0.00 ATOM 117 CB THR 16 6.186 0.899 -1.415 1.00 0.00 ATOM 118 CG2 THR 16 6.254 2.381 -1.750 1.00 0.00 ATOM 119 OG1 THR 16 5.455 0.733 -0.193 1.00 0.00 ATOM 120 O THR 16 5.731 1.076 -4.704 1.00 0.00 ATOM 121 C THR 16 6.248 0.384 -3.837 1.00 0.00 ATOM 122 N GLU 17 7.462 -0.164 -3.948 1.00 0.00 ATOM 123 CA GLU 17 8.306 0.028 -5.140 1.00 0.00 ATOM 124 CB GLU 17 9.610 -0.761 -5.005 1.00 0.00 ATOM 125 CG GLU 17 10.570 -0.201 -3.968 1.00 0.00 ATOM 126 CD GLU 17 11.794 -1.076 -3.775 1.00 0.00 ATOM 127 OE1 GLU 17 11.855 -2.158 -4.397 1.00 0.00 ATOM 128 OE2 GLU 17 12.691 -0.679 -3.002 1.00 0.00 ATOM 129 O GLU 17 7.838 0.226 -7.455 1.00 0.00 ATOM 130 C GLU 17 7.640 -0.432 -6.434 1.00 0.00 ATOM 131 N SER 18 6.859 -1.521 -6.383 1.00 0.00 ATOM 132 CA SER 18 6.114 -2.017 -7.550 1.00 0.00 ATOM 133 CB SER 18 5.578 -3.425 -7.285 1.00 0.00 ATOM 134 OG SER 18 6.637 -4.358 -7.152 1.00 0.00 ATOM 135 O SER 18 4.614 -0.840 -9.029 1.00 0.00 ATOM 136 C SER 18 4.924 -1.096 -7.861 1.00 0.00 ATOM 137 N THR 19 4.250 -0.602 -6.815 1.00 0.00 ATOM 138 CA THR 19 3.122 0.331 -6.988 1.00 0.00 ATOM 139 CB THR 19 2.471 0.686 -5.639 1.00 0.00 ATOM 140 CG2 THR 19 1.337 1.679 -5.840 1.00 0.00 ATOM 141 OG1 THR 19 1.946 -0.500 -5.030 1.00 0.00 ATOM 142 O THR 19 2.825 2.207 -8.433 1.00 0.00 ATOM 143 C THR 19 3.567 1.641 -7.636 1.00 0.00 ATOM 144 N GLN 20 4.761 2.115 -7.273 1.00 0.00 ATOM 145 CA GLN 20 5.330 3.347 -7.818 1.00 0.00 ATOM 146 CB GLN 20 6.646 3.686 -7.114 1.00 0.00 ATOM 147 CG GLN 20 6.480 4.122 -5.667 1.00 0.00 ATOM 148 CD GLN 20 7.809 4.308 -4.959 1.00 0.00 ATOM 149 OE1 GLN 20 8.866 4.008 -5.515 1.00 0.00 ATOM 150 NE2 GLN 20 7.757 4.803 -3.728 1.00 0.00 ATOM 151 O GLN 20 5.234 4.075 -10.085 1.00 0.00 ATOM 152 C GLN 20 5.608 3.190 -9.312 1.00 0.00 ATOM 153 N LYS 21 6.226 2.077 -9.716 1.00 0.00 ATOM 154 CA LYS 21 6.526 1.832 -11.145 1.00 0.00 ATOM 155 CB LYS 21 7.469 0.637 -11.297 1.00 0.00 ATOM 156 CG LYS 21 8.886 0.899 -10.811 1.00 0.00 ATOM 157 CD LYS 21 9.765 -0.327 -10.987 1.00 0.00 ATOM 158 CE LYS 21 11.182 -0.065 -10.502 1.00 0.00 ATOM 159 NZ LYS 21 12.048 -1.267 -10.643 1.00 0.00 ATOM 160 O LYS 21 5.198 1.897 -13.145 1.00 0.00 ATOM 161 C LYS 21 5.256 1.527 -11.967 1.00 0.00 ATOM 162 N MET 22 4.263 0.863 -11.363 1.00 0.00 ATOM 163 CA MET 22 2.952 0.641 -12.020 1.00 0.00 ATOM 164 CB MET 22 2.018 -0.147 -11.099 1.00 0.00 ATOM 165 CG MET 22 2.429 -1.595 -10.889 1.00 0.00 ATOM 166 SD MET 22 2.446 -2.543 -12.422 1.00 0.00 ATOM 167 CE MET 22 0.695 -2.615 -12.795 1.00 0.00 ATOM 168 O MET 22 1.650 2.085 -13.413 1.00 0.00 ATOM 169 C MET 22 2.275 1.979 -12.360 1.00 0.00 ATOM 170 N LEU 23 2.406 2.977 -11.471 1.00 0.00 ATOM 171 CA LEU 23 1.858 4.339 -11.700 1.00 0.00 ATOM 172 CB LEU 23 2.045 5.208 -10.453 1.00 0.00 ATOM 173 CG LEU 23 1.252 4.792 -9.213 1.00 0.00 ATOM 174 CD1 LEU 23 1.623 5.663 -8.022 1.00 0.00 ATOM 175 CD2 LEU 23 -0.242 4.932 -9.458 1.00 0.00 ATOM 176 O LEU 23 1.923 6.054 -13.374 1.00 0.00 ATOM 177 C LEU 23 2.520 5.102 -12.866 1.00 0.00 ATOM 178 N ASP 24 3.737 4.716 -13.265 1.00 0.00 ATOM 179 CA ASP 24 4.397 5.320 -14.436 1.00 0.00 ATOM 180 CB ASP 24 5.875 4.927 -14.480 1.00 0.00 ATOM 181 CG ASP 24 6.696 5.626 -13.416 1.00 0.00 ATOM 182 OD1 ASP 24 6.185 6.589 -12.808 1.00 0.00 ATOM 183 OD2 ASP 24 7.853 5.210 -13.190 1.00 0.00 ATOM 184 O ASP 24 3.900 5.576 -16.778 1.00 0.00 ATOM 185 C ASP 24 3.759 4.873 -15.776 1.00 0.00 ATOM 186 N VAL 25 3.043 3.742 -15.783 1.00 0.00 ATOM 187 CA VAL 25 2.416 3.192 -17.006 1.00 0.00 ATOM 188 CB VAL 25 2.230 1.668 -16.907 1.00 0.00 ATOM 189 CG1 VAL 25 3.572 0.978 -16.709 1.00 0.00 ATOM 190 CG2 VAL 25 1.331 1.315 -15.732 1.00 0.00 ATOM 191 O VAL 25 0.371 3.283 -18.258 1.00 0.00 ATOM 192 C VAL 25 1.017 3.769 -17.318 1.00 0.00 ATOM 193 N LEU 26 0.537 4.751 -16.531 1.00 0.00 ATOM 194 CA LEU 26 -0.785 5.401 -16.724 1.00 0.00 ATOM 195 CB LEU 26 -1.800 4.859 -15.716 1.00 0.00 ATOM 196 CG LEU 26 -2.144 3.372 -15.833 1.00 0.00 ATOM 197 CD1 LEU 26 -2.958 2.912 -14.633 1.00 0.00 ATOM 198 CD2 LEU 26 -2.956 3.104 -17.090 1.00 0.00 ATOM 199 O LEU 26 0.215 7.421 -15.902 1.00 0.00 ATOM 200 C LEU 26 -0.714 6.915 -16.539 1.00 0.00 ATOM 201 N THR 27 -1.712 7.614 -17.096 1.00 0.00 ATOM 202 CA THR 27 -1.882 9.079 -16.950 1.00 0.00 ATOM 203 CB THR 27 -2.259 9.739 -18.290 1.00 0.00 ATOM 204 CG2 THR 27 -1.214 9.425 -19.351 1.00 0.00 ATOM 205 OG1 THR 27 -3.530 9.244 -18.729 1.00 0.00 ATOM 206 O THR 27 -3.799 8.392 -15.650 1.00 0.00 ATOM 207 C THR 27 -3.002 9.304 -15.932 1.00 0.00 ATOM 208 N ASP 28 -3.067 10.519 -15.393 1.00 0.00 ATOM 209 CA ASP 28 -4.108 10.893 -14.421 1.00 0.00 ATOM 210 CB ASP 28 -3.929 12.345 -13.976 1.00 0.00 ATOM 211 CG ASP 28 -2.738 12.530 -13.056 1.00 0.00 ATOM 212 OD1 ASP 28 -2.198 11.512 -12.574 1.00 0.00 ATOM 213 OD2 ASP 28 -2.347 13.692 -12.816 1.00 0.00 ATOM 214 O ASP 28 -6.415 10.234 -14.363 1.00 0.00 ATOM 215 C ASP 28 -5.513 10.750 -15.025 1.00 0.00 ATOM 216 N GLU 29 -5.667 11.170 -16.288 1.00 0.00 ATOM 217 CA GLU 29 -6.927 11.021 -17.046 1.00 0.00 ATOM 218 CB GLU 29 -6.788 11.631 -18.443 1.00 0.00 ATOM 219 CG GLU 29 -8.055 11.563 -19.279 1.00 0.00 ATOM 220 CD GLU 29 -7.889 12.207 -20.642 1.00 0.00 ATOM 221 OE1 GLU 29 -6.787 12.718 -20.926 1.00 0.00 ATOM 222 OE2 GLU 29 -8.863 12.199 -21.425 1.00 0.00 ATOM 223 O GLU 29 -8.422 9.157 -16.885 1.00 0.00 ATOM 224 C GLU 29 -7.298 9.545 -17.206 1.00 0.00 ATOM 225 N SER 30 -6.334 8.740 -17.654 1.00 0.00 ATOM 226 CA SER 30 -6.529 7.288 -17.875 1.00 0.00 ATOM 227 CB SER 30 -5.210 6.625 -18.277 1.00 0.00 ATOM 228 OG SER 30 -4.769 7.093 -19.541 1.00 0.00 ATOM 229 O SER 30 -7.969 5.748 -16.687 1.00 0.00 ATOM 230 C SER 30 -7.045 6.570 -16.609 1.00 0.00 ATOM 231 N LEU 31 -6.447 6.905 -15.456 1.00 0.00 ATOM 232 CA LEU 31 -6.850 6.350 -14.142 1.00 0.00 ATOM 233 CB LEU 31 -5.810 6.694 -13.075 1.00 0.00 ATOM 234 CG LEU 31 -4.443 6.020 -13.218 1.00 0.00 ATOM 235 CD1 LEU 31 -3.464 6.565 -12.189 1.00 0.00 ATOM 236 CD2 LEU 31 -4.561 4.518 -13.013 1.00 0.00 ATOM 237 O LEU 31 -8.934 6.191 -12.961 1.00 0.00 ATOM 238 C LEU 31 -8.195 6.899 -13.661 1.00 0.00 ATOM 239 N SER 32 -8.480 8.161 -13.994 1.00 0.00 ATOM 240 CA SER 32 -9.763 8.793 -13.658 1.00 0.00 ATOM 241 CB SER 32 -9.723 10.291 -13.971 1.00 0.00 ATOM 242 OG SER 32 -8.798 10.963 -13.135 1.00 0.00 ATOM 243 O SER 32 -12.042 8.097 -13.873 1.00 0.00 ATOM 244 C SER 32 -10.947 8.203 -14.436 1.00 0.00 ATOM 245 N GLN 33 -10.727 7.808 -15.697 1.00 0.00 ATOM 246 CA GLN 33 -11.778 7.183 -16.518 1.00 0.00 ATOM 247 CB GLN 33 -11.371 7.173 -17.993 1.00 0.00 ATOM 248 CG GLN 33 -12.426 6.598 -18.925 1.00 0.00 ATOM 249 CD GLN 33 -12.001 6.636 -20.380 1.00 0.00 ATOM 250 OE1 GLN 33 -10.918 7.123 -20.708 1.00 0.00 ATOM 251 NE2 GLN 33 -12.855 6.121 -21.256 1.00 0.00 ATOM 252 O GLN 33 -13.161 5.379 -15.702 1.00 0.00 ATOM 253 C GLN 33 -12.039 5.728 -16.090 1.00 0.00 ATOM 254 N GLU 34 -10.981 4.907 -16.156 1.00 0.00 ATOM 255 CA GLU 34 -11.049 3.447 -15.947 1.00 0.00 ATOM 256 CB GLU 34 -9.684 2.805 -16.197 1.00 0.00 ATOM 257 CG GLU 34 -9.267 2.782 -17.659 1.00 0.00 ATOM 258 CD GLU 34 -7.902 2.156 -17.865 1.00 0.00 ATOM 259 OE1 GLU 34 -7.247 1.814 -16.859 1.00 0.00 ATOM 260 OE2 GLU 34 -7.487 2.009 -19.035 1.00 0.00 ATOM 261 O GLU 34 -11.053 3.608 -13.559 1.00 0.00 ATOM 262 C GLU 34 -11.470 2.985 -14.536 1.00 0.00 ATOM 263 N ILE 35 -12.335 1.932 -14.425 1.00 0.00 ATOM 264 CA ILE 35 -13.020 1.193 -15.509 1.00 0.00 ATOM 265 CB ILE 35 -13.592 -0.145 -15.006 1.00 0.00 ATOM 266 CG1 ILE 35 -14.647 0.098 -13.923 1.00 0.00 ATOM 267 CG2 ILE 35 -12.488 -1.009 -14.416 1.00 0.00 ATOM 268 CD1 ILE 35 -15.412 -1.144 -13.525 1.00 0.00 ATOM 269 O ILE 35 -14.736 2.869 -15.338 1.00 0.00 ATOM 270 C ILE 35 -14.178 2.032 -16.062 1.00 0.00 ATOM 271 N ALA 36 -14.533 1.788 -17.327 1.00 0.00 ATOM 272 CA ALA 36 -15.578 2.562 -18.023 1.00 0.00 ATOM 273 CB ALA 36 -15.774 2.035 -19.436 1.00 0.00 ATOM 274 O ALA 36 -17.409 3.466 -16.749 1.00 0.00 ATOM 275 C ALA 36 -16.925 2.457 -17.272 1.00 0.00 ATOM 276 N PRO 37 -17.481 1.243 -17.195 1.00 0.00 ATOM 277 CA PRO 37 -18.751 0.972 -16.482 1.00 0.00 ATOM 278 CB PRO 37 -19.423 -0.115 -17.323 1.00 0.00 ATOM 279 CG PRO 37 -18.295 -0.804 -18.014 1.00 0.00 ATOM 280 CD PRO 37 -17.212 0.226 -18.173 1.00 0.00 ATOM 281 O PRO 37 -18.158 -0.698 -14.852 1.00 0.00 ATOM 282 C PRO 37 -18.407 0.495 -15.063 1.00 0.00 ATOM 283 N GLY 38 -18.365 1.437 -14.111 1.00 0.00 ATOM 284 CA GLY 38 -18.019 1.155 -12.703 1.00 0.00 ATOM 285 O GLY 38 -18.463 3.463 -12.176 1.00 0.00 ATOM 286 C GLY 38 -18.341 2.307 -11.752 1.00 0.00 ATOM 287 N HIS 39 -18.459 1.963 -10.467 1.00 0.00 ATOM 288 CA HIS 39 -18.726 2.928 -9.382 1.00 0.00 ATOM 289 CB HIS 39 -19.421 2.237 -8.208 1.00 0.00 ATOM 290 CG HIS 39 -20.796 1.740 -8.527 1.00 0.00 ATOM 291 CD2 HIS 39 -21.416 0.434 -8.693 1.00 0.00 ATOM 292 ND1 HIS 39 -21.861 2.587 -8.748 1.00 0.00 ATOM 293 CE1 HIS 39 -22.956 1.852 -9.009 1.00 0.00 ATOM 294 NE2 HIS 39 -22.697 0.559 -8.978 1.00 0.00 ATOM 295 O HIS 39 -17.464 4.702 -8.339 1.00 0.00 ATOM 296 C HIS 39 -17.429 3.575 -8.842 1.00 0.00 ATOM 297 N TRP 40 -16.304 2.853 -8.953 1.00 0.00 ATOM 298 CA TRP 40 -14.976 3.289 -8.473 1.00 0.00 ATOM 299 CB TRP 40 -14.329 2.195 -7.622 1.00 0.00 ATOM 300 CG TRP 40 -15.103 1.860 -6.385 1.00 0.00 ATOM 301 CD1 TRP 40 -16.079 0.912 -6.259 1.00 0.00 ATOM 302 CD2 TRP 40 -14.968 2.470 -5.095 1.00 0.00 ATOM 303 CE2 TRP 40 -15.894 1.842 -4.238 1.00 0.00 ATOM 304 CE3 TRP 40 -14.156 3.485 -4.582 1.00 0.00 ATOM 305 NE1 TRP 40 -16.561 0.894 -4.974 1.00 0.00 ATOM 306 CZ2 TRP 40 -16.028 2.197 -2.896 1.00 0.00 ATOM 307 CZ3 TRP 40 -14.293 3.833 -3.252 1.00 0.00 ATOM 308 CH2 TRP 40 -15.221 3.193 -2.423 1.00 0.00 ATOM 309 O TRP 40 -14.187 3.100 -10.725 1.00 0.00 ATOM 310 C TRP 40 -14.017 3.605 -9.623 1.00 0.00 ATOM 311 N THR 41 -13.012 4.434 -9.334 1.00 0.00 ATOM 312 CA THR 41 -11.980 4.831 -10.303 1.00 0.00 ATOM 313 CB THR 41 -11.929 6.361 -10.476 1.00 0.00 ATOM 314 CG2 THR 41 -13.275 6.890 -10.947 1.00 0.00 ATOM 315 OG1 THR 41 -11.601 6.976 -9.224 1.00 0.00 ATOM 316 O THR 41 -10.321 4.339 -8.636 1.00 0.00 ATOM 317 C THR 41 -10.600 4.365 -9.840 1.00 0.00 ATOM 318 N LEU 42 -9.745 4.008 -10.801 1.00 0.00 ATOM 319 CA LEU 42 -8.354 3.640 -10.514 1.00 0.00 ATOM 320 CB LEU 42 -7.614 3.292 -11.808 1.00 0.00 ATOM 321 CG LEU 42 -8.054 2.009 -12.516 1.00 0.00 ATOM 322 CD1 LEU 42 -7.359 1.873 -13.862 1.00 0.00 ATOM 323 CD2 LEU 42 -7.710 0.788 -11.679 1.00 0.00 ATOM 324 O LEU 42 -6.679 4.498 -9.012 1.00 0.00 ATOM 325 C LEU 42 -7.565 4.769 -9.829 1.00 0.00 ATOM 326 N GLY 43 -7.901 6.016 -10.150 1.00 0.00 ATOM 327 CA GLY 43 -7.240 7.169 -9.560 1.00 0.00 ATOM 328 O GLY 43 -6.550 7.325 -7.271 1.00 0.00 ATOM 329 C GLY 43 -7.494 7.248 -8.051 1.00 0.00 ATOM 330 N ARG 44 -8.770 7.222 -7.672 1.00 0.00 ATOM 331 CA ARG 44 -9.197 7.300 -6.267 1.00 0.00 ATOM 332 CB ARG 44 -10.723 7.252 -6.168 1.00 0.00 ATOM 333 CG ARG 44 -11.418 8.507 -6.670 1.00 0.00 ATOM 334 CD ARG 44 -12.930 8.359 -6.623 1.00 0.00 ATOM 335 NE ARG 44 -13.613 9.548 -7.125 1.00 0.00 ATOM 336 CZ ARG 44 -14.928 9.639 -7.292 1.00 0.00 ATOM 337 NH1 ARG 44 -15.461 10.763 -7.754 1.00 0.00 ATOM 338 NH2 ARG 44 -15.706 8.607 -7.000 1.00 0.00 ATOM 339 O ARG 44 -8.336 6.337 -4.240 1.00 0.00 ATOM 340 C ARG 44 -8.648 6.147 -5.417 1.00 0.00 ATOM 341 N VAL 45 -8.526 4.969 -6.030 1.00 0.00 ATOM 342 CA VAL 45 -8.039 3.763 -5.358 1.00 0.00 ATOM 343 CB VAL 45 -8.377 2.493 -6.161 1.00 0.00 ATOM 344 CG1 VAL 45 -7.745 1.270 -5.515 1.00 0.00 ATOM 345 CG2 VAL 45 -9.882 2.284 -6.218 1.00 0.00 ATOM 346 O VAL 45 -6.046 3.444 -4.088 1.00 0.00 ATOM 347 C VAL 45 -6.528 3.793 -5.174 1.00 0.00 ATOM 348 N ALA 46 -5.793 4.183 -6.223 1.00 0.00 ATOM 349 CA ALA 46 -4.334 4.420 -6.114 1.00 0.00 ATOM 350 CB ALA 46 -3.754 4.790 -7.470 1.00 0.00 ATOM 351 O ALA 46 -3.040 5.523 -4.425 1.00 0.00 ATOM 352 C ALA 46 -4.039 5.568 -5.134 1.00 0.00 ATOM 353 N TRP 47 -4.889 6.598 -5.139 1.00 0.00 ATOM 354 CA TRP 47 -4.787 7.713 -4.210 1.00 0.00 ATOM 355 CB TRP 47 -5.895 8.734 -4.475 1.00 0.00 ATOM 356 CG TRP 47 -5.706 9.512 -5.741 1.00 0.00 ATOM 357 CD1 TRP 47 -4.586 9.547 -6.520 1.00 0.00 ATOM 358 CD2 TRP 47 -6.664 10.368 -6.376 1.00 0.00 ATOM 359 CE2 TRP 47 -6.056 10.887 -7.535 1.00 0.00 ATOM 360 CE3 TRP 47 -7.977 10.744 -6.077 1.00 0.00 ATOM 361 NE1 TRP 47 -4.786 10.371 -7.601 1.00 0.00 ATOM 362 CZ2 TRP 47 -6.715 11.764 -8.395 1.00 0.00 ATOM 363 CZ3 TRP 47 -8.626 11.613 -6.933 1.00 0.00 ATOM 364 CH2 TRP 47 -7.999 12.115 -8.077 1.00 0.00 ATOM 365 O TRP 47 -4.124 7.575 -1.932 1.00 0.00 ATOM 366 C TRP 47 -4.918 7.201 -2.779 1.00 0.00 ATOM 367 N HIS 48 -5.899 6.333 -2.530 1.00 0.00 ATOM 368 CA HIS 48 -6.128 5.714 -1.199 1.00 0.00 ATOM 369 CB HIS 48 -7.411 4.882 -1.209 1.00 0.00 ATOM 370 CG HIS 48 -7.731 4.250 0.111 1.00 0.00 ATOM 371 CD2 HIS 48 -7.741 2.893 0.637 1.00 0.00 ATOM 372 ND1 HIS 48 -8.131 4.981 1.208 1.00 0.00 ATOM 373 CE1 HIS 48 -8.344 4.143 2.239 1.00 0.00 ATOM 374 NE2 HIS 48 -8.112 2.888 1.903 1.00 0.00 ATOM 375 O HIS 48 -4.570 4.757 0.369 1.00 0.00 ATOM 376 C HIS 48 -4.964 4.786 -0.796 1.00 0.00 ATOM 377 N ILE 49 -4.427 4.046 -1.773 1.00 0.00 ATOM 378 CA ILE 49 -3.289 3.136 -1.579 1.00 0.00 ATOM 379 CB ILE 49 -2.896 2.436 -2.893 1.00 0.00 ATOM 380 CG1 ILE 49 -3.997 1.468 -3.331 1.00 0.00 ATOM 381 CG2 ILE 49 -1.606 1.650 -2.713 1.00 0.00 ATOM 382 CD1 ILE 49 -3.818 0.938 -4.737 1.00 0.00 ATOM 383 O ILE 49 -1.382 3.409 -0.155 1.00 0.00 ATOM 384 C ILE 49 -2.067 3.885 -1.076 1.00 0.00 ATOM 385 N VAL 50 -1.818 5.060 -1.661 1.00 0.00 ATOM 386 CA VAL 50 -0.663 5.892 -1.286 1.00 0.00 ATOM 387 CB VAL 50 -0.575 7.161 -2.154 1.00 0.00 ATOM 388 CG1 VAL 50 -1.677 8.139 -1.782 1.00 0.00 ATOM 389 CG2 VAL 50 0.767 7.849 -1.957 1.00 0.00 ATOM 390 O VAL 50 0.433 6.711 0.665 1.00 0.00 ATOM 391 C VAL 50 -0.644 6.399 0.154 1.00 0.00 ATOM 392 N THR 51 -1.818 6.484 0.781 1.00 0.00 ATOM 393 CA THR 51 -1.967 6.937 2.186 1.00 0.00 ATOM 394 CB THR 51 -3.289 7.698 2.396 1.00 0.00 ATOM 395 CG2 THR 51 -3.362 8.903 1.470 1.00 0.00 ATOM 396 OG1 THR 51 -4.394 6.830 2.116 1.00 0.00 ATOM 397 O THR 51 -1.993 6.163 4.425 1.00 0.00 ATOM 398 C THR 51 -1.972 5.836 3.237 1.00 0.00 ATOM 399 N ALA 52 -1.953 4.565 2.822 1.00 0.00 ATOM 400 CA ALA 52 -2.034 3.410 3.741 1.00 0.00 ATOM 401 CB ALA 52 -1.876 2.107 2.971 1.00 0.00 ATOM 402 O ALA 52 -1.279 3.366 6.018 1.00 0.00 ATOM 403 C ALA 52 -0.955 3.422 4.827 1.00 0.00 ATOM 404 N ILE 53 0.304 3.528 4.409 1.00 0.00 ATOM 405 CA ILE 53 1.454 3.578 5.333 1.00 0.00 ATOM 406 CB ILE 53 2.776 3.807 4.576 1.00 0.00 ATOM 407 CG1 ILE 53 3.116 2.590 3.715 1.00 0.00 ATOM 408 CG2 ILE 53 3.917 4.040 5.556 1.00 0.00 ATOM 409 CD1 ILE 53 4.246 2.830 2.737 1.00 0.00 ATOM 410 O ILE 53 1.548 4.453 7.550 1.00 0.00 ATOM 411 C ILE 53 1.344 4.694 6.360 1.00 0.00 ATOM 412 N PRO 54 1.031 5.905 5.886 1.00 0.00 ATOM 413 CA PRO 54 0.824 7.066 6.778 1.00 0.00 ATOM 414 CB PRO 54 0.550 8.226 5.820 1.00 0.00 ATOM 415 CG PRO 54 1.295 7.868 4.577 1.00 0.00 ATOM 416 CD PRO 54 1.116 6.386 4.397 1.00 0.00 ATOM 417 O PRO 54 -0.201 6.998 8.955 1.00 0.00 ATOM 418 C PRO 54 -0.340 6.848 7.719 1.00 0.00 ATOM 419 N VAL 55 -1.480 6.491 7.126 1.00 0.00 ATOM 420 CA VAL 55 -2.733 6.296 7.871 1.00 0.00 ATOM 421 CB VAL 55 -3.891 5.899 6.938 1.00 0.00 ATOM 422 CG1 VAL 55 -5.120 5.511 7.745 1.00 0.00 ATOM 423 CG2 VAL 55 -4.261 7.060 6.026 1.00 0.00 ATOM 424 O VAL 55 -3.099 5.429 10.040 1.00 0.00 ATOM 425 C VAL 55 -2.658 5.211 8.932 1.00 0.00 ATOM 426 N ILE 56 -2.114 4.052 8.576 1.00 0.00 ATOM 427 CA ILE 56 -2.014 2.922 9.512 1.00 0.00 ATOM 428 CB ILE 56 -1.590 1.628 8.793 1.00 0.00 ATOM 429 CG1 ILE 56 -2.638 1.229 7.751 1.00 0.00 ATOM 430 CG2 ILE 56 -1.443 0.489 9.789 1.00 0.00 ATOM 431 CD1 ILE 56 -4.019 1.011 8.328 1.00 0.00 ATOM 432 O ILE 56 -1.168 2.647 11.721 1.00 0.00 ATOM 433 C ILE 56 -0.998 3.165 10.610 1.00 0.00 ATOM 434 N LEU 57 0.038 3.954 10.308 1.00 0.00 ATOM 435 CA LEU 57 0.996 4.388 11.327 1.00 0.00 ATOM 436 CB LEU 57 2.168 5.129 10.680 1.00 0.00 ATOM 437 CG LEU 57 3.266 5.618 11.626 1.00 0.00 ATOM 438 CD1 LEU 57 3.905 4.449 12.360 1.00 0.00 ATOM 439 CD2 LEU 57 4.355 6.347 10.854 1.00 0.00 ATOM 440 O LEU 57 0.496 5.201 13.527 1.00 0.00 ATOM 441 C LEU 57 0.295 5.328 12.314 1.00 0.00 ATOM 442 N SER 58 -0.503 6.268 11.793 1.00 0.00 ATOM 443 CA SER 58 -1.309 7.161 12.652 1.00 0.00 ATOM 444 CB SER 58 -2.167 8.097 11.800 1.00 0.00 ATOM 445 OG SER 58 -1.360 8.997 11.059 1.00 0.00 ATOM 446 O SER 58 -2.318 6.635 14.738 1.00 0.00 ATOM 447 C SER 58 -2.241 6.353 13.561 1.00 0.00 ATOM 448 N GLY 59 -2.918 5.346 13.007 1.00 0.00 ATOM 449 CA GLY 59 -3.819 4.454 13.771 1.00 0.00 ATOM 450 O GLY 59 -3.471 3.841 16.058 1.00 0.00 ATOM 451 C GLY 59 -3.046 3.789 14.903 1.00 0.00 ATOM 452 N THR 60 -1.901 3.201 14.559 1.00 0.00 ATOM 453 CA THR 60 -0.980 2.572 15.543 1.00 0.00 ATOM 454 CB THR 60 0.308 2.068 14.868 1.00 0.00 ATOM 455 CG2 THR 60 1.225 1.416 15.891 1.00 0.00 ATOM 456 OG1 THR 60 -0.023 1.104 13.861 1.00 0.00 ATOM 457 O THR 60 -0.407 3.118 17.819 1.00 0.00 ATOM 458 C THR 60 -0.535 3.530 16.665 1.00 0.00 ATOM 459 N GLY 61 -2.188 5.905 18.062 1.00 0.00 ATOM 460 CA GLY 61 -3.317 6.437 18.812 1.00 0.00 ATOM 461 O GLY 61 -4.962 8.113 18.922 1.00 0.00 ATOM 462 C GLY 61 -4.209 7.474 18.192 1.00 0.00 ATOM 463 N TYR 71 -4.162 7.642 16.869 1.00 0.00 ATOM 464 CA TYR 71 -5.035 8.618 16.220 1.00 0.00 ATOM 465 CB TYR 71 -4.693 8.737 14.733 1.00 0.00 ATOM 466 CG TYR 71 -5.536 9.749 13.990 1.00 0.00 ATOM 467 CD1 TYR 71 -5.267 11.109 14.090 1.00 0.00 ATOM 468 CD2 TYR 71 -6.597 9.343 13.192 1.00 0.00 ATOM 469 CE1 TYR 71 -6.031 12.040 13.414 1.00 0.00 ATOM 470 CE2 TYR 71 -7.372 10.261 12.510 1.00 0.00 ATOM 471 CZ TYR 71 -7.080 11.619 12.626 1.00 0.00 ATOM 472 OH TYR 71 -7.842 12.545 11.953 1.00 0.00 ATOM 473 O TYR 71 -6.847 7.045 16.363 1.00 0.00 ATOM 474 C TYR 71 -6.505 8.231 16.327 1.00 0.00 ATOM 475 N PRO 72 -7.351 9.257 16.364 1.00 0.00 ATOM 476 CA PRO 72 -8.799 9.111 16.477 1.00 0.00 ATOM 477 CB PRO 72 -9.268 10.469 17.004 1.00 0.00 ATOM 478 CG PRO 72 -8.293 11.446 16.439 1.00 0.00 ATOM 479 CD PRO 72 -6.956 10.758 16.457 1.00 0.00 ATOM 480 O PRO 72 -8.794 8.940 14.059 1.00 0.00 ATOM 481 C PRO 72 -9.425 8.791 15.131 1.00 0.00 ATOM 482 N VAL 73 -10.699 8.404 15.200 1.00 0.00 ATOM 483 CA VAL 73 -11.495 8.126 14.012 1.00 0.00 ATOM 484 CB VAL 73 -12.919 7.672 14.382 1.00 0.00 ATOM 485 CG1 VAL 73 -13.755 7.466 13.127 1.00 0.00 ATOM 486 CG2 VAL 73 -12.878 6.361 15.152 1.00 0.00 ATOM 487 O VAL 73 -11.448 9.258 11.925 1.00 0.00 ATOM 488 C VAL 73 -11.616 9.365 13.140 1.00 0.00 ATOM 489 N PRO 74 -3.725 12.479 -2.306 1.00 0.00 ATOM 490 CA PRO 74 -3.021 13.144 -3.401 1.00 0.00 ATOM 491 CB PRO 74 -1.884 12.180 -3.748 1.00 0.00 ATOM 492 CG PRO 74 -1.674 11.386 -2.503 1.00 0.00 ATOM 493 CD PRO 74 -3.034 11.197 -1.894 1.00 0.00 ATOM 494 O PRO 74 -4.770 12.652 -4.993 1.00 0.00 ATOM 495 C PRO 74 -3.862 13.423 -4.669 1.00 0.00 ATOM 496 N THR 75 -3.531 14.519 -5.354 1.00 0.00 ATOM 497 CA THR 75 -4.220 14.962 -6.570 1.00 0.00 ATOM 498 CB THR 75 -4.541 16.468 -6.521 1.00 0.00 ATOM 499 CG2 THR 75 -5.447 16.782 -5.341 1.00 0.00 ATOM 500 OG1 THR 75 -3.324 17.214 -6.384 1.00 0.00 ATOM 501 O THR 75 -3.892 15.116 -8.936 1.00 0.00 ATOM 502 C THR 75 -3.421 14.746 -7.856 1.00 0.00 ATOM 503 N SER 76 -2.216 14.178 -7.751 1.00 0.00 ATOM 504 CA SER 76 -1.382 13.850 -8.916 1.00 0.00 ATOM 505 CB SER 76 -0.340 14.945 -9.153 1.00 0.00 ATOM 506 OG SER 76 0.578 15.019 -8.076 1.00 0.00 ATOM 507 O SER 76 -0.518 12.124 -7.525 1.00 0.00 ATOM 508 C SER 76 -0.672 12.537 -8.669 1.00 0.00 ATOM 509 N ALA 77 -0.231 11.900 -9.746 1.00 0.00 ATOM 510 CA ALA 77 0.536 10.655 -9.661 1.00 0.00 ATOM 511 CB ALA 77 0.835 10.121 -11.053 1.00 0.00 ATOM 512 O ALA 77 2.243 10.093 -8.069 1.00 0.00 ATOM 513 C ALA 77 1.873 10.883 -8.932 1.00 0.00 ATOM 514 N LYS 78 2.577 11.963 -9.282 1.00 0.00 ATOM 515 CA LYS 78 3.857 12.325 -8.649 1.00 0.00 ATOM 516 CB LYS 78 4.340 13.685 -9.159 1.00 0.00 ATOM 517 CG LYS 78 5.679 14.122 -8.587 1.00 0.00 ATOM 518 CD LYS 78 6.128 15.446 -9.183 1.00 0.00 ATOM 519 CE LYS 78 7.443 15.907 -8.576 1.00 0.00 ATOM 520 NZ LYS 78 7.906 17.193 -9.165 1.00 0.00 ATOM 521 O LYS 78 4.577 11.818 -6.423 1.00 0.00 ATOM 522 C LYS 78 3.750 12.420 -7.121 1.00 0.00 ATOM 523 N THR 79 2.747 13.151 -6.610 1.00 0.00 ATOM 524 CA THR 79 2.524 13.213 -5.153 1.00 0.00 ATOM 525 CB THR 79 1.455 14.260 -4.788 1.00 0.00 ATOM 526 CG2 THR 79 1.885 15.643 -5.252 1.00 0.00 ATOM 527 OG1 THR 79 0.216 13.922 -5.423 1.00 0.00 ATOM 528 O THR 79 2.328 11.608 -3.428 1.00 0.00 ATOM 529 C THR 79 2.052 11.876 -4.590 1.00 0.00 ATOM 530 N ILE 80 1.358 11.044 -5.377 1.00 0.00 ATOM 531 CA ILE 80 1.008 9.693 -4.905 1.00 0.00 ATOM 532 CB ILE 80 0.178 8.927 -5.952 1.00 0.00 ATOM 533 CG1 ILE 80 -1.201 9.570 -6.113 1.00 0.00 ATOM 534 CG2 ILE 80 -0.012 7.480 -5.526 1.00 0.00 ATOM 535 CD1 ILE 80 -1.979 9.056 -7.304 1.00 0.00 ATOM 536 O ILE 80 2.400 8.263 -3.580 1.00 0.00 ATOM 537 C ILE 80 2.280 8.890 -4.626 1.00 0.00 ATOM 538 N ALA 81 3.219 8.951 -5.573 1.00 0.00 ATOM 539 CA ALA 81 4.509 8.263 -5.476 1.00 0.00 ATOM 540 CB ALA 81 5.304 8.441 -6.761 1.00 0.00 ATOM 541 O ALA 81 5.943 8.016 -3.555 1.00 0.00 ATOM 542 C ALA 81 5.366 8.804 -4.318 1.00 0.00 ATOM 543 N ASP 82 5.436 10.134 -4.198 1.00 0.00 ATOM 544 CA ASP 82 6.170 10.787 -3.110 1.00 0.00 ATOM 545 CB ASP 82 6.102 12.309 -3.254 1.00 0.00 ATOM 546 CG ASP 82 6.959 12.824 -4.394 1.00 0.00 ATOM 547 OD1 ASP 82 7.783 12.045 -4.917 1.00 0.00 ATOM 548 OD2 ASP 82 6.806 14.008 -4.764 1.00 0.00 ATOM 549 O ASP 82 6.350 10.211 -0.813 1.00 0.00 ATOM 550 C ASP 82 5.598 10.422 -1.747 1.00 0.00 ATOM 551 N GLY 83 4.270 10.377 -1.653 1.00 0.00 ATOM 552 CA GLY 83 3.569 10.028 -0.415 1.00 0.00 ATOM 553 O GLY 83 4.127 8.373 1.230 1.00 0.00 ATOM 554 C GLY 83 3.882 8.594 0.033 1.00 0.00 ATOM 555 N TYR 84 3.869 7.637 -0.905 1.00 0.00 ATOM 556 CA TYR 84 4.223 6.241 -0.596 1.00 0.00 ATOM 557 CB TYR 84 4.133 5.374 -1.855 1.00 0.00 ATOM 558 CG TYR 84 2.717 5.062 -2.282 1.00 0.00 ATOM 559 CD1 TYR 84 2.147 5.702 -3.376 1.00 0.00 ATOM 560 CD2 TYR 84 1.955 4.128 -1.592 1.00 0.00 ATOM 561 CE1 TYR 84 0.853 5.422 -3.774 1.00 0.00 ATOM 562 CE2 TYR 84 0.660 3.836 -1.976 1.00 0.00 ATOM 563 CZ TYR 84 0.113 4.493 -3.078 1.00 0.00 ATOM 564 OH TYR 84 -1.175 4.213 -3.472 1.00 0.00 ATOM 565 O TYR 84 5.850 5.390 0.931 1.00 0.00 ATOM 566 C TYR 84 5.637 6.100 -0.051 1.00 0.00 ATOM 567 N ARG 85 6.583 6.795 -0.682 1.00 0.00 ATOM 568 CA ARG 85 7.986 6.786 -0.255 1.00 0.00 ATOM 569 CB ARG 85 8.842 7.619 -1.211 1.00 0.00 ATOM 570 CG ARG 85 9.032 6.992 -2.582 1.00 0.00 ATOM 571 CD ARG 85 9.851 7.890 -3.493 1.00 0.00 ATOM 572 NE ARG 85 10.001 7.324 -4.830 1.00 0.00 ATOM 573 CZ ARG 85 10.624 7.933 -5.835 1.00 0.00 ATOM 574 NH1 ARG 85 10.710 7.340 -7.018 1.00 0.00 ATOM 575 NH2 ARG 85 11.158 9.133 -5.653 1.00 0.00 ATOM 576 O ARG 85 8.813 6.793 1.976 1.00 0.00 ATOM 577 C ARG 85 8.120 7.375 1.156 1.00 0.00 ATOM 578 N LYS 86 7.457 8.505 1.407 1.00 0.00 ATOM 579 CA LYS 86 7.472 9.173 2.714 1.00 0.00 ATOM 580 CB LYS 86 6.641 10.457 2.668 1.00 0.00 ATOM 581 CG LYS 86 6.632 11.237 3.972 1.00 0.00 ATOM 582 CD LYS 86 5.849 12.532 3.835 1.00 0.00 ATOM 583 CE LYS 86 5.799 13.289 5.152 1.00 0.00 ATOM 584 NZ LYS 86 5.014 14.551 5.040 1.00 0.00 ATOM 585 O LYS 86 7.487 8.243 4.877 1.00 0.00 ATOM 586 C LYS 86 6.908 8.313 3.798 1.00 0.00 ATOM 587 N VAL 87 5.750 7.713 3.517 1.00 0.00 ATOM 588 CA VAL 87 5.064 6.823 4.445 1.00 0.00 ATOM 589 CB VAL 87 3.734 6.312 3.859 1.00 0.00 ATOM 590 CG1 VAL 87 3.136 5.238 4.753 1.00 0.00 ATOM 591 CG2 VAL 87 2.733 7.451 3.738 1.00 0.00 ATOM 592 O VAL 87 5.990 5.222 5.961 1.00 0.00 ATOM 593 C VAL 87 5.897 5.606 4.786 1.00 0.00 ATOM 594 N ASN 88 6.499 5.002 3.755 1.00 0.00 ATOM 595 CA ASN 88 7.384 3.866 3.935 1.00 0.00 ATOM 596 CB ASN 88 7.897 3.368 2.582 1.00 0.00 ATOM 597 CG ASN 88 8.522 1.989 2.669 1.00 0.00 ATOM 598 ND2 ASN 88 8.608 1.308 1.531 1.00 0.00 ATOM 599 OD1 ASN 88 8.922 1.545 3.743 1.00 0.00 ATOM 600 O ASN 88 8.912 3.571 5.742 1.00 0.00 ATOM 601 C ASN 88 8.564 4.273 4.785 1.00 0.00 ATOM 602 N THR 89 9.187 5.391 4.416 1.00 0.00 ATOM 603 CA THR 89 10.344 5.905 5.138 1.00 0.00 ATOM 604 CB THR 89 10.783 7.278 4.595 1.00 0.00 ATOM 605 CG2 THR 89 11.977 7.803 5.378 1.00 0.00 ATOM 606 OG1 THR 89 11.150 7.156 3.216 1.00 0.00 ATOM 607 O THR 89 10.851 5.646 7.467 1.00 0.00 ATOM 608 C THR 89 10.061 6.085 6.647 1.00 0.00 ATOM 609 N ALA 90 8.938 6.714 6.971 1.00 0.00 ATOM 610 CA ALA 90 8.533 6.980 8.372 1.00 0.00 ATOM 611 CB ALA 90 7.322 7.900 8.407 1.00 0.00 ATOM 612 O ALA 90 8.410 5.615 10.343 1.00 0.00 ATOM 613 C ALA 90 8.160 5.717 9.126 1.00 0.00 ATOM 614 N PHE 91 7.555 4.768 8.412 1.00 0.00 ATOM 615 CA PHE 91 7.161 3.457 8.967 1.00 0.00 ATOM 616 CB PHE 91 6.303 2.686 7.962 1.00 0.00 ATOM 617 CG PHE 91 5.882 1.328 8.441 1.00 0.00 ATOM 618 CD1 PHE 91 4.838 1.186 9.340 1.00 0.00 ATOM 619 CD2 PHE 91 6.528 0.189 7.995 1.00 0.00 ATOM 620 CE1 PHE 91 4.450 -0.064 9.781 1.00 0.00 ATOM 621 CE2 PHE 91 6.141 -1.063 8.436 1.00 0.00 ATOM 622 CZ PHE 91 5.106 -1.191 9.325 1.00 0.00 ATOM 623 O PHE 91 8.527 2.074 10.359 1.00 0.00 ATOM 624 C PHE 91 8.423 2.652 9.274 1.00 0.00 ATOM 625 N VAL 92 9.372 2.657 8.328 1.00 0.00 ATOM 626 CA VAL 92 10.677 1.992 8.473 1.00 0.00 ATOM 627 CB VAL 92 11.537 2.154 7.205 1.00 0.00 ATOM 628 CG1 VAL 92 12.946 1.635 7.449 1.00 0.00 ATOM 629 CG2 VAL 92 10.931 1.375 6.048 1.00 0.00 ATOM 630 O VAL 92 11.939 1.835 10.483 1.00 0.00 ATOM 631 C VAL 92 11.469 2.567 9.635 1.00 0.00 ATOM 632 N GLU 93 11.629 3.888 9.646 1.00 0.00 ATOM 633 CA GLU 93 12.359 4.555 10.718 1.00 0.00 ATOM 634 CB GLU 93 12.418 6.063 10.470 1.00 0.00 ATOM 635 CG GLU 93 13.319 6.468 9.314 1.00 0.00 ATOM 636 CD GLU 93 13.257 7.953 9.018 1.00 0.00 ATOM 637 OE1 GLU 93 12.454 8.655 9.669 1.00 0.00 ATOM 638 OE2 GLU 93 14.010 8.416 8.136 1.00 0.00 ATOM 639 O GLU 93 12.402 4.207 13.065 1.00 0.00 ATOM 640 C GLU 93 11.693 4.327 12.070 1.00 0.00 ATOM 641 N ALA 94 10.352 4.267 12.104 1.00 0.00 ATOM 642 CA ALA 94 9.605 3.989 13.350 1.00 0.00 ATOM 643 CB ALA 94 8.108 4.123 13.112 1.00 0.00 ATOM 644 O ALA 94 10.508 2.349 14.849 1.00 0.00 ATOM 645 C ALA 94 9.932 2.558 13.792 1.00 0.00 ATOM 646 N LEU 95 9.624 1.592 12.943 1.00 0.00 ATOM 647 CA LEU 95 9.847 0.172 13.274 1.00 0.00 ATOM 648 CB LEU 95 9.309 -0.729 12.159 1.00 0.00 ATOM 649 CG LEU 95 9.370 -2.235 12.418 1.00 0.00 ATOM 650 CD1 LEU 95 8.552 -2.603 13.646 1.00 0.00 ATOM 651 CD2 LEU 95 8.817 -3.007 11.229 1.00 0.00 ATOM 652 O LEU 95 11.509 -1.196 14.220 1.00 0.00 ATOM 653 C LEU 95 11.278 -0.259 13.473 1.00 0.00 ATOM 654 N GLN 96 12.228 0.424 12.840 1.00 0.00 ATOM 655 CA GLN 96 13.647 0.146 13.088 1.00 0.00 ATOM 656 CB GLN 96 14.509 0.717 11.961 1.00 0.00 ATOM 657 CG GLN 96 14.281 0.059 10.611 1.00 0.00 ATOM 658 CD GLN 96 15.128 0.672 9.512 1.00 0.00 ATOM 659 OE1 GLN 96 15.918 1.584 9.760 1.00 0.00 ATOM 660 NE2 GLN 96 14.964 0.174 8.292 1.00 0.00 ATOM 661 O GLN 96 15.272 0.476 14.788 1.00 0.00 ATOM 662 C GLN 96 14.151 0.760 14.406 1.00 0.00 ATOM 663 N SER 97 13.347 1.593 15.075 1.00 0.00 ATOM 664 CA SER 97 13.701 2.192 16.367 1.00 0.00 ATOM 665 CB SER 97 13.165 3.622 16.458 1.00 0.00 ATOM 666 OG SER 97 13.748 4.450 15.468 1.00 0.00 ATOM 667 O SER 97 13.396 1.788 18.711 1.00 0.00 ATOM 668 C SER 97 13.131 1.422 17.557 1.00 0.00 ATOM 669 N TRP 99 12.313 0.403 17.301 1.00 0.00 ATOM 670 CA TRP 99 11.673 -0.353 18.376 1.00 0.00 ATOM 671 CB TRP 99 10.360 -0.971 17.889 1.00 0.00 ATOM 672 CG TRP 99 9.299 0.043 17.584 1.00 0.00 ATOM 673 CD1 TRP 99 8.939 0.504 16.350 1.00 0.00 ATOM 674 CD2 TRP 99 8.459 0.719 18.527 1.00 0.00 ATOM 675 CE2 TRP 99 7.615 1.576 17.795 1.00 0.00 ATOM 676 CE3 TRP 99 8.340 0.683 19.919 1.00 0.00 ATOM 677 NE1 TRP 99 7.926 1.426 16.466 1.00 0.00 ATOM 678 CZ2 TRP 99 6.664 2.391 18.407 1.00 0.00 ATOM 679 CZ3 TRP 99 7.396 1.492 20.523 1.00 0.00 ATOM 680 CH2 TRP 99 6.569 2.336 19.771 1.00 0.00 ATOM 681 O TRP 99 13.166 -2.202 18.141 1.00 0.00 ATOM 682 C TRP 99 12.518 -1.492 18.909 1.00 0.00 ATOM 683 N THR 100 12.495 -1.656 20.240 1.00 0.00 ATOM 684 CA THR 100 13.103 -2.805 20.905 1.00 0.00 ATOM 685 CB THR 100 13.423 -2.499 22.380 1.00 0.00 ATOM 686 CG2 THR 100 14.341 -1.291 22.487 1.00 0.00 ATOM 687 OG1 THR 100 12.209 -2.224 23.089 1.00 0.00 ATOM 688 O THR 100 10.947 -3.713 20.431 1.00 0.00 ATOM 689 C THR 100 12.094 -3.944 20.818 1.00 0.00 ATOM 690 N ASP 101 12.491 -5.155 21.213 1.00 0.00 ATOM 691 CA ASP 101 11.553 -6.294 21.280 1.00 0.00 ATOM 692 CB ASP 101 12.269 -7.550 21.783 1.00 0.00 ATOM 693 CG ASP 101 13.201 -8.144 20.745 1.00 0.00 ATOM 694 OD1 ASP 101 13.122 -7.730 19.569 1.00 0.00 ATOM 695 OD2 ASP 101 14.010 -9.023 21.107 1.00 0.00 ATOM 696 O ASP 101 9.260 -6.436 21.981 1.00 0.00 ATOM 697 C ASP 101 10.379 -6.004 22.236 1.00 0.00 ATOM 698 N LYS 102 10.629 -5.264 23.318 1.00 0.00 ATOM 699 CA LYS 102 9.556 -4.847 24.244 1.00 0.00 ATOM 700 CB LYS 102 10.143 -4.085 25.433 1.00 0.00 ATOM 701 CG LYS 102 10.940 -4.951 26.395 1.00 0.00 ATOM 702 CD LYS 102 11.489 -4.132 27.551 1.00 0.00 ATOM 703 CE LYS 102 12.306 -4.994 28.499 1.00 0.00 ATOM 704 NZ LYS 102 12.879 -4.197 29.620 1.00 0.00 ATOM 705 O LYS 102 7.323 -4.085 23.734 1.00 0.00 ATOM 706 C LYS 102 8.539 -3.931 23.550 1.00 0.00 ATOM 707 N ASP 103 9.054 -2.979 22.772 1.00 0.00 ATOM 708 CA ASP 103 8.227 -2.047 22.002 1.00 0.00 ATOM 709 CB ASP 103 9.091 -0.946 21.386 1.00 0.00 ATOM 710 CG ASP 103 9.582 0.053 22.416 1.00 0.00 ATOM 711 OD1 ASP 103 9.062 0.040 23.551 1.00 0.00 ATOM 712 OD2 ASP 103 10.488 0.848 22.088 1.00 0.00 ATOM 713 O ASP 103 6.332 -2.486 20.640 1.00 0.00 ATOM 714 C ASP 103 7.498 -2.766 20.870 1.00 0.00 ATOM 715 N LEU 104 8.172 -3.692 20.175 1.00 0.00 ATOM 716 CA LEU 104 7.517 -4.510 19.126 1.00 0.00 ATOM 717 CB LEU 104 8.532 -5.436 18.455 1.00 0.00 ATOM 718 CG LEU 104 9.599 -4.760 17.592 1.00 0.00 ATOM 719 CD1 LEU 104 10.636 -5.772 17.127 1.00 0.00 ATOM 720 CD2 LEU 104 8.971 -4.123 16.362 1.00 0.00 ATOM 721 O LEU 104 5.365 -5.617 19.081 1.00 0.00 ATOM 722 C LEU 104 6.390 -5.387 19.721 1.00 0.00 ATOM 723 N THR 105 6.596 -5.849 20.955 1.00 0.00 ATOM 724 CA THR 105 5.623 -6.651 21.699 1.00 0.00 ATOM 725 CB THR 105 6.291 -7.422 22.852 1.00 0.00 ATOM 726 CG2 THR 105 7.368 -8.354 22.316 1.00 0.00 ATOM 727 OG1 THR 105 6.891 -6.497 23.766 1.00 0.00 ATOM 728 O THR 105 3.492 -6.442 22.766 1.00 0.00 ATOM 729 C THR 105 4.488 -5.845 22.343 1.00 0.00 ATOM 730 N THR 106 4.645 -4.520 22.437 1.00 0.00 ATOM 731 CA THR 106 3.681 -3.617 23.097 1.00 0.00 ATOM 732 CB THR 106 4.154 -2.152 23.044 1.00 0.00 ATOM 733 CG2 THR 106 3.167 -1.247 23.766 1.00 0.00 ATOM 734 OG1 THR 106 5.435 -2.037 23.676 1.00 0.00 ATOM 735 O THR 106 2.218 -3.547 21.222 1.00 0.00 ATOM 736 C THR 106 2.303 -3.666 22.438 1.00 0.00 ATOM 737 N ILE 107 1.248 -3.810 23.247 1.00 0.00 ATOM 738 CA ILE 107 -0.127 -3.845 22.748 1.00 0.00 ATOM 739 CB ILE 107 -1.071 -4.549 23.742 1.00 0.00 ATOM 740 CG1 ILE 107 -0.655 -6.009 23.929 1.00 0.00 ATOM 741 CG2 ILE 107 -2.502 -4.516 23.231 1.00 0.00 ATOM 742 CD1 ILE 107 -1.380 -6.710 25.058 1.00 0.00 ATOM 743 O ILE 107 -0.427 -1.585 23.408 1.00 0.00 ATOM 744 C ILE 107 -0.612 -2.428 22.539 1.00 0.00 ATOM 745 N ASN 108 -1.224 -2.179 21.379 1.00 0.00 ATOM 746 CA ASN 108 -1.761 -0.866 21.010 1.00 0.00 ATOM 747 CB ASN 108 -0.867 -0.196 19.965 1.00 0.00 ATOM 748 CG ASN 108 0.546 0.030 20.467 1.00 0.00 ATOM 749 ND2 ASN 108 1.489 -0.749 19.946 1.00 0.00 ATOM 750 OD1 ASN 108 0.785 0.894 21.309 1.00 0.00 ATOM 751 O ASN 108 -3.341 -1.885 19.534 1.00 0.00 ATOM 752 C ASN 108 -3.162 -1.056 20.431 1.00 0.00 ATOM 753 N ASP 109 -4.144 -0.307 20.950 1.00 0.00 ATOM 754 CA ASP 109 -5.535 -0.421 20.506 1.00 0.00 ATOM 755 CB ASP 109 -6.491 -0.216 21.683 1.00 0.00 ATOM 756 CG ASP 109 -7.943 -0.429 21.298 1.00 0.00 ATOM 757 OD1 ASP 109 -8.206 -0.708 20.109 1.00 0.00 ATOM 758 OD2 ASP 109 -8.815 -0.315 22.183 1.00 0.00 ATOM 759 O ASP 109 -5.621 1.808 19.659 1.00 0.00 ATOM 760 C ASP 109 -5.865 0.624 19.444 1.00 0.00 ATOM 761 N PHE 110 -6.423 0.178 18.312 1.00 0.00 ATOM 762 CA PHE 110 -6.883 1.079 17.241 1.00 0.00 ATOM 763 CB PHE 110 -7.176 0.288 15.965 1.00 0.00 ATOM 764 CG PHE 110 -5.950 -0.283 15.311 1.00 0.00 ATOM 765 CD1 PHE 110 -4.687 0.081 15.739 1.00 0.00 ATOM 766 CD2 PHE 110 -6.062 -1.186 14.268 1.00 0.00 ATOM 767 CE1 PHE 110 -3.558 -0.444 15.138 1.00 0.00 ATOM 768 CE2 PHE 110 -4.934 -1.713 13.667 1.00 0.00 ATOM 769 CZ PHE 110 -3.686 -1.345 14.098 1.00 0.00 ATOM 770 O PHE 110 -8.799 1.274 18.684 1.00 0.00 ATOM 771 C PHE 110 -8.157 1.762 17.738 1.00 0.00 ATOM 772 N PHE 111 -8.523 2.888 17.113 1.00 0.00 ATOM 773 CA PHE 111 -9.726 3.647 17.534 1.00 0.00 ATOM 774 CB PHE 111 -9.963 4.835 16.600 1.00 0.00 ATOM 775 CG PHE 111 -11.131 5.694 16.996 1.00 0.00 ATOM 776 CD1 PHE 111 -11.017 6.602 18.035 1.00 0.00 ATOM 777 CD2 PHE 111 -12.340 5.593 16.333 1.00 0.00 ATOM 778 CE1 PHE 111 -12.090 7.393 18.400 1.00 0.00 ATOM 779 CE2 PHE 111 -13.413 6.384 16.699 1.00 0.00 ATOM 780 CZ PHE 111 -13.292 7.281 17.727 1.00 0.00 ATOM 781 O PHE 111 -11.895 3.034 18.344 1.00 0.00 ATOM 782 C PHE 111 -11.010 2.810 17.523 1.00 0.00 ATOM 783 N GLY 112 -11.244 -0.302 18.427 1.00 0.00 ATOM 784 CA GLY 112 -11.238 -1.306 19.494 1.00 0.00 ATOM 785 O GLY 112 -9.996 -3.063 20.459 1.00 0.00 ATOM 786 C GLY 112 -10.328 -2.511 19.405 1.00 0.00 ATOM 787 N ARG 113 -9.929 -2.940 18.194 1.00 0.00 ATOM 788 CA ARG 113 -9.028 -4.106 18.063 1.00 0.00 ATOM 789 CB ARG 113 -8.926 -4.545 16.602 1.00 0.00 ATOM 790 CG ARG 113 -10.219 -5.107 16.031 1.00 0.00 ATOM 791 CD ARG 113 -10.051 -5.508 14.574 1.00 0.00 ATOM 792 NE ARG 113 -9.863 -4.349 13.705 1.00 0.00 ATOM 793 CZ ARG 113 -9.523 -4.424 12.423 1.00 0.00 ATOM 794 NH1 ARG 113 -9.375 -3.315 11.710 1.00 0.00 ATOM 795 NH2 ARG 113 -9.331 -5.608 11.855 1.00 0.00 ATOM 796 O ARG 113 -7.120 -2.639 18.233 1.00 0.00 ATOM 797 C ARG 113 -7.636 -3.714 18.572 1.00 0.00 ATOM 798 N PRO 114 -7.065 -4.592 19.396 1.00 0.00 ATOM 799 CA PRO 114 -5.766 -4.404 20.003 1.00 0.00 ATOM 800 CB PRO 114 -6.016 -4.637 21.494 1.00 0.00 ATOM 801 CG PRO 114 -7.132 -5.626 21.534 1.00 0.00 ATOM 802 CD PRO 114 -7.969 -5.362 20.314 1.00 0.00 ATOM 803 O PRO 114 -5.073 -6.620 19.365 1.00 0.00 ATOM 804 C PRO 114 -4.784 -5.419 19.412 1.00 0.00 ATOM 805 N MET 115 -3.652 -4.920 18.921 1.00 0.00 ATOM 806 CA MET 115 -2.569 -5.751 18.407 1.00 0.00 ATOM 807 CB MET 115 -2.506 -5.665 16.881 1.00 0.00 ATOM 808 CG MET 115 -3.750 -6.183 16.178 1.00 0.00 ATOM 809 SD MET 115 -3.649 -6.034 14.384 1.00 0.00 ATOM 810 CE MET 115 -5.336 -6.414 13.917 1.00 0.00 ATOM 811 O MET 115 -1.077 -4.152 19.410 1.00 0.00 ATOM 812 C MET 115 -1.225 -5.297 18.967 1.00 0.00 ATOM 813 N PRO 116 -0.238 -6.192 18.901 1.00 0.00 ATOM 814 CA PRO 116 1.139 -5.836 19.227 1.00 0.00 ATOM 815 CB PRO 116 1.872 -7.179 19.257 1.00 0.00 ATOM 816 CG PRO 116 0.790 -8.190 19.434 1.00 0.00 ATOM 817 CD PRO 116 -0.417 -7.636 18.729 1.00 0.00 ATOM 818 O PRO 116 1.047 -4.911 16.994 1.00 0.00 ATOM 819 C PRO 116 1.611 -4.901 18.099 1.00 0.00 ATOM 820 N ASN 117 2.631 -4.095 18.361 1.00 0.00 ATOM 821 CA ASN 117 3.171 -3.216 17.326 1.00 0.00 ATOM 822 CB ASN 117 4.338 -2.395 17.876 1.00 0.00 ATOM 823 CG ASN 117 4.840 -1.361 16.886 1.00 0.00 ATOM 824 ND2 ASN 117 6.090 -1.508 16.461 1.00 0.00 ATOM 825 OD1 ASN 117 4.112 -0.443 16.511 1.00 0.00 ATOM 826 O ASN 117 3.393 -3.662 15.013 1.00 0.00 ATOM 827 C ASN 117 3.666 -4.028 16.152 1.00 0.00 ATOM 828 N SER 118 4.361 -5.135 16.428 1.00 0.00 ATOM 829 CA SER 118 4.827 -6.004 15.352 1.00 0.00 ATOM 830 CB SER 118 5.550 -7.226 15.925 1.00 0.00 ATOM 831 OG SER 118 6.754 -6.849 16.570 1.00 0.00 ATOM 832 O SER 118 3.796 -6.525 13.237 1.00 0.00 ATOM 833 C SER 118 3.681 -6.528 14.468 1.00 0.00 ATOM 834 N ILE 119 2.596 -6.981 15.081 1.00 0.00 ATOM 835 CA ILE 119 1.461 -7.433 14.290 1.00 0.00 ATOM 836 CB ILE 119 0.342 -8.002 15.182 1.00 0.00 ATOM 837 CG1 ILE 119 0.829 -9.256 15.913 1.00 0.00 ATOM 838 CG2 ILE 119 -0.871 -8.374 14.344 1.00 0.00 ATOM 839 CD1 ILE 119 1.228 -10.384 14.989 1.00 0.00 ATOM 840 O ILE 119 0.414 -6.549 12.345 1.00 0.00 ATOM 841 C ILE 119 0.851 -6.291 13.470 1.00 0.00 ATOM 842 N PHE 120 0.826 -5.058 14.014 1.00 0.00 ATOM 843 CA PHE 120 0.383 -3.884 13.245 1.00 0.00 ATOM 844 CB PHE 120 0.568 -2.605 14.066 1.00 0.00 ATOM 845 CG PHE 120 -0.369 -2.493 15.233 1.00 0.00 ATOM 846 CD1 PHE 120 -1.470 -3.326 15.339 1.00 0.00 ATOM 847 CD2 PHE 120 -0.150 -1.554 16.227 1.00 0.00 ATOM 848 CE1 PHE 120 -2.332 -3.223 16.414 1.00 0.00 ATOM 849 CE2 PHE 120 -1.014 -1.452 17.302 1.00 0.00 ATOM 850 CZ PHE 120 -2.101 -2.281 17.397 1.00 0.00 ATOM 851 O PHE 120 0.570 -3.646 10.937 1.00 0.00 ATOM 852 C PHE 120 1.181 -3.759 11.980 1.00 0.00 ATOM 853 N LEU 121 2.513 -3.846 12.055 1.00 0.00 ATOM 854 CA LEU 121 3.361 -3.808 10.840 1.00 0.00 ATOM 855 CB LEU 121 4.820 -4.100 11.194 1.00 0.00 ATOM 856 CG LEU 121 5.817 -4.078 10.035 1.00 0.00 ATOM 857 CD1 LEU 121 5.881 -2.694 9.408 1.00 0.00 ATOM 858 CD2 LEU 121 7.211 -4.445 10.518 1.00 0.00 ATOM 859 O LEU 121 2.842 -4.557 8.625 1.00 0.00 ATOM 860 C LEU 121 2.894 -4.851 9.827 1.00 0.00 ATOM 861 N MET 122 2.539 -6.046 10.308 1.00 0.00 ATOM 862 CA MET 122 2.031 -7.116 9.433 1.00 0.00 ATOM 863 CB MET 122 1.924 -8.433 10.204 1.00 0.00 ATOM 864 CG MET 122 3.263 -9.043 10.582 1.00 0.00 ATOM 865 SD MET 122 3.092 -10.555 11.549 1.00 0.00 ATOM 866 CE MET 122 2.459 -11.680 10.307 1.00 0.00 ATOM 867 O MET 122 0.381 -7.050 7.689 1.00 0.00 ATOM 868 C MET 122 0.646 -6.783 8.880 1.00 0.00 ATOM 869 N THR 123 -0.207 -6.169 9.708 1.00 0.00 ATOM 870 CA THR 123 -1.529 -5.709 9.260 1.00 0.00 ATOM 871 CB THR 123 -2.323 -5.065 10.412 1.00 0.00 ATOM 872 CG2 THR 123 -3.670 -4.563 9.914 1.00 0.00 ATOM 873 OG1 THR 123 -2.542 -6.034 11.444 1.00 0.00 ATOM 874 O THR 123 -2.172 -4.688 7.217 1.00 0.00 ATOM 875 C THR 123 -1.387 -4.673 8.152 1.00 0.00 ATOM 876 N LEU 124 -0.390 -3.791 8.250 1.00 0.00 ATOM 877 CA LEU 124 -0.151 -2.776 7.221 1.00 0.00 ATOM 878 CB LEU 124 1.007 -1.862 7.628 1.00 0.00 ATOM 879 CG LEU 124 1.382 -0.759 6.636 1.00 0.00 ATOM 880 CD1 LEU 124 0.216 0.196 6.429 1.00 0.00 ATOM 881 CD2 LEU 124 2.569 0.042 7.146 1.00 0.00 ATOM 882 O LEU 124 -0.358 -3.160 4.894 1.00 0.00 ATOM 883 C LEU 124 0.191 -3.494 5.930 1.00 0.00 ATOM 884 N ILE 125 1.067 -4.496 6.005 1.00 0.00 ATOM 885 CA ILE 125 1.445 -5.317 4.840 1.00 0.00 ATOM 886 CB ILE 125 2.410 -6.449 5.238 1.00 0.00 ATOM 887 CG1 ILE 125 3.761 -5.873 5.669 1.00 0.00 ATOM 888 CG2 ILE 125 2.641 -7.390 4.066 1.00 0.00 ATOM 889 CD1 ILE 125 4.674 -6.883 6.328 1.00 0.00 ATOM 890 O ILE 125 0.026 -5.903 2.988 1.00 0.00 ATOM 891 C ILE 125 0.202 -5.957 4.210 1.00 0.00 ATOM 892 N ASN 126 -0.654 -6.531 5.052 1.00 0.00 ATOM 893 CA ASN 126 -1.923 -7.141 4.617 1.00 0.00 ATOM 894 CB ASN 126 -2.666 -7.743 5.811 1.00 0.00 ATOM 895 CG ASN 126 -2.016 -9.013 6.324 1.00 0.00 ATOM 896 ND2 ASN 126 -2.331 -9.381 7.560 1.00 0.00 ATOM 897 OD1 ASN 126 -1.242 -9.655 5.614 1.00 0.00 ATOM 898 O ASN 126 -3.392 -6.352 2.865 1.00 0.00 ATOM 899 C ASN 126 -2.847 -6.105 3.956 1.00 0.00 ATOM 900 N HIS 127 -2.981 -4.946 4.622 1.00 0.00 ATOM 901 CA HIS 127 -3.810 -3.829 4.170 1.00 0.00 ATOM 902 CB HIS 127 -3.688 -2.648 5.135 1.00 0.00 ATOM 903 CG HIS 127 -4.528 -1.468 4.754 1.00 0.00 ATOM 904 CD2 HIS 127 -5.900 -1.047 4.999 1.00 0.00 ATOM 905 ND1 HIS 127 -4.048 -0.429 3.987 1.00 0.00 ATOM 906 CE1 HIS 127 -5.028 0.477 3.813 1.00 0.00 ATOM 907 NE2 HIS 127 -6.141 0.111 4.419 1.00 0.00 ATOM 908 O HIS 127 -4.180 -3.269 1.873 1.00 0.00 ATOM 909 C HIS 127 -3.362 -3.375 2.778 1.00 0.00 ATOM 910 N GLN 128 -2.062 -3.138 2.629 1.00 0.00 ATOM 911 CA GLN 128 -1.483 -2.677 1.364 1.00 0.00 ATOM 912 CB GLN 128 0.021 -2.443 1.517 1.00 0.00 ATOM 913 CG GLN 128 0.694 -1.893 0.270 1.00 0.00 ATOM 914 CD GLN 128 0.206 -0.505 -0.092 1.00 0.00 ATOM 915 OE1 GLN 128 0.097 0.370 0.767 1.00 0.00 ATOM 916 NE2 GLN 128 -0.092 -0.298 -1.370 1.00 0.00 ATOM 917 O GLN 128 -2.175 -3.343 -0.796 1.00 0.00 ATOM 918 C GLN 128 -1.692 -3.704 0.261 1.00 0.00 ATOM 919 N ASN 129 -1.361 -4.972 0.518 1.00 0.00 ATOM 920 CA ASN 129 -1.560 -6.053 -0.475 1.00 0.00 ATOM 921 CB ASN 129 -1.015 -7.379 0.060 1.00 0.00 ATOM 922 CG ASN 129 -1.060 -8.487 -0.973 1.00 0.00 ATOM 923 ND2 ASN 129 -1.837 -9.526 -0.692 1.00 0.00 ATOM 924 OD1 ASN 129 -0.403 -8.407 -2.011 1.00 0.00 ATOM 925 O ASN 129 -3.351 -6.541 -1.985 1.00 0.00 ATOM 926 C ASN 129 -3.039 -6.274 -0.820 1.00 0.00 ATOM 927 N HIS 130 -3.939 -6.133 0.158 1.00 0.00 ATOM 928 CA HIS 130 -5.384 -6.222 -0.115 1.00 0.00 ATOM 929 CB HIS 130 -6.185 -6.005 1.169 1.00 0.00 ATOM 930 CG HIS 130 -7.669 -5.998 0.962 1.00 0.00 ATOM 931 CD2 HIS 130 -8.705 -4.978 0.911 1.00 0.00 ATOM 932 ND1 HIS 130 -8.396 -7.148 0.752 1.00 0.00 ATOM 933 CE1 HIS 130 -9.693 -6.826 0.599 1.00 0.00 ATOM 934 NE2 HIS 130 -9.885 -5.524 0.694 1.00 0.00 ATOM 935 O HIS 130 -6.383 -5.527 -2.169 1.00 0.00 ATOM 936 C HIS 130 -5.835 -5.172 -1.130 1.00 0.00 ATOM 937 N HIS 131 -5.586 -3.897 -0.817 1.00 0.00 ATOM 938 CA HIS 131 -5.970 -2.770 -1.675 1.00 0.00 ATOM 939 CB HIS 131 -5.560 -1.444 -1.032 1.00 0.00 ATOM 940 CG HIS 131 -6.389 -1.069 0.158 1.00 0.00 ATOM 941 CD2 HIS 131 -6.138 -0.873 1.579 1.00 0.00 ATOM 942 ND1 HIS 131 -7.739 -0.807 0.072 1.00 0.00 ATOM 943 CE1 HIS 131 -8.204 -0.500 1.296 1.00 0.00 ATOM 944 NE2 HIS 131 -7.249 -0.538 2.205 1.00 0.00 ATOM 945 O HIS 131 -5.862 -2.557 -4.046 1.00 0.00 ATOM 946 C HIS 131 -5.283 -2.882 -3.036 1.00 0.00 ATOM 947 N ARG 132 -4.038 -3.340 -3.037 1.00 0.00 ATOM 948 CA ARG 132 -3.281 -3.530 -4.279 1.00 0.00 ATOM 949 CB ARG 132 -1.821 -3.873 -3.970 1.00 0.00 ATOM 950 CG ARG 132 -0.934 -3.976 -5.198 1.00 0.00 ATOM 951 CD ARG 132 0.527 -4.140 -4.812 1.00 0.00 ATOM 952 NE ARG 132 1.395 -4.250 -5.983 1.00 0.00 ATOM 953 CZ ARG 132 2.695 -4.511 -5.928 1.00 0.00 ATOM 954 NH1 ARG 132 3.404 -4.592 -7.046 1.00 0.00 ATOM 955 NH2 ARG 132 3.286 -4.689 -4.754 1.00 0.00 ATOM 956 O ARG 132 -3.852 -4.619 -6.348 1.00 0.00 ATOM 957 C ARG 132 -3.878 -4.675 -5.117 1.00 0.00 ATOM 958 N GLY 133 -4.424 -5.696 -4.446 1.00 0.00 ATOM 959 CA GLY 133 -5.156 -6.782 -5.109 1.00 0.00 ATOM 960 O GLY 133 -6.743 -6.724 -6.910 1.00 0.00 ATOM 961 C GLY 133 -6.432 -6.297 -5.790 1.00 0.00 ATOM 962 N GLN 134 -7.172 -5.412 -5.107 1.00 0.00 ATOM 963 CA GLN 134 -8.395 -4.781 -5.663 1.00 0.00 ATOM 964 CB GLN 134 -8.999 -3.802 -4.654 1.00 0.00 ATOM 965 CG GLN 134 -9.633 -4.469 -3.444 1.00 0.00 ATOM 966 CD GLN 134 -10.100 -3.470 -2.406 1.00 0.00 ATOM 967 OE1 GLN 134 -9.883 -2.265 -2.546 1.00 0.00 ATOM 968 NE2 GLN 134 -10.745 -3.966 -1.357 1.00 0.00 ATOM 969 O GLN 134 -8.787 -4.155 -7.955 1.00 0.00 ATOM 970 C GLN 134 -8.081 -4.007 -6.949 1.00 0.00 ATOM 971 N MET 135 -7.020 -3.193 -6.893 1.00 0.00 ATOM 972 CA MET 135 -6.514 -2.430 -8.045 1.00 0.00 ATOM 973 CB MET 135 -5.288 -1.606 -7.646 1.00 0.00 ATOM 974 CG MET 135 -4.684 -0.799 -8.784 1.00 0.00 ATOM 975 SD MET 135 -3.203 0.102 -8.289 1.00 0.00 ATOM 976 CE MET 135 -2.027 -1.240 -8.131 1.00 0.00 ATOM 977 O MET 135 -6.512 -3.136 -10.319 1.00 0.00 ATOM 978 C MET 135 -6.107 -3.359 -9.191 1.00 0.00 ATOM 979 N THR 136 -5.327 -4.396 -8.878 1.00 0.00 ATOM 980 CA THR 136 -4.820 -5.370 -9.867 1.00 0.00 ATOM 981 CB THR 136 -4.127 -6.562 -9.182 1.00 0.00 ATOM 982 CG2 THR 136 -3.637 -7.560 -10.218 1.00 0.00 ATOM 983 OG1 THR 136 -3.008 -6.094 -8.419 1.00 0.00 ATOM 984 O THR 136 -5.783 -5.949 -11.990 1.00 0.00 ATOM 985 C THR 136 -5.914 -5.967 -10.759 1.00 0.00 ATOM 986 N VAL 137 -6.983 -6.474 -10.146 1.00 0.00 ATOM 987 CA VAL 137 -8.075 -7.088 -10.909 1.00 0.00 ATOM 988 CB VAL 137 -9.140 -7.697 -9.979 1.00 0.00 ATOM 989 CG1 VAL 137 -10.352 -8.146 -10.781 1.00 0.00 ATOM 990 CG2 VAL 137 -8.577 -8.901 -9.241 1.00 0.00 ATOM 991 O VAL 137 -9.018 -6.295 -12.963 1.00 0.00 ATOM 992 C VAL 137 -8.757 -6.024 -11.796 1.00 0.00 ATOM 993 N LEU 138 -8.970 -4.809 -11.274 1.00 0.00 ATOM 994 CA LEU 138 -9.572 -3.706 -12.056 1.00 0.00 ATOM 995 CB LEU 138 -9.961 -2.547 -11.136 1.00 0.00 ATOM 996 CG LEU 138 -10.968 -2.869 -10.030 1.00 0.00 ATOM 997 CD1 LEU 138 -11.184 -1.660 -9.132 1.00 0.00 ATOM 998 CD2 LEU 138 -12.312 -3.266 -10.625 1.00 0.00 ATOM 999 O LEU 138 -9.152 -2.391 -13.972 1.00 0.00 ATOM 1000 C LEU 138 -8.655 -3.120 -13.125 1.00 0.00 TER END