USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl -112:sc= -0.101 (180deg=-0.561) USER MOD Set 1.2: A 113 MET CE :methyl -135:sc= -3.23! (180deg=-5.11!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.131 USER MOD Set 2.2: A 59 GLN : amide:sc= -2.76 K(o=-2.9,f=-14!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0544 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.144) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -23:sc= 1.13 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.52) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.056 USER MOD Single : A 77 SER OG : rot 172:sc= -0.0126 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.0238 (180deg=-0.675) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 146:sc= -0.136 (180deg=-0.645) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 108 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.24) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 2.782 3.524 -9.612 1.00 51.34 N ATOM 47 CA GLY A 6 2.185 2.782 -10.707 1.00 21.51 C ATOM 48 C GLY A 6 1.441 3.676 -11.677 1.00 72.22 C ATOM 49 O GLY A 6 1.759 4.858 -11.811 1.00 34.30 O ATOM 0 HA2 GLY A 6 2.965 2.241 -11.242 1.00 21.51 H new ATOM 0 HA3 GLY A 6 1.498 2.037 -10.305 1.00 21.51 H new ATOM 53 N ARG A 7 0.448 3.112 -12.358 1.00 0.33 N ATOM 54 CA ARG A 7 -0.342 3.867 -13.323 1.00 23.23 C ATOM 55 C ARG A 7 -1.241 4.878 -12.618 1.00 60.51 C ATOM 56 O ARG A 7 -1.227 6.067 -12.938 1.00 71.35 O ATOM 57 CB ARG A 7 -1.189 2.919 -14.172 1.00 54.03 C ATOM 58 CG ARG A 7 -0.465 2.388 -15.399 1.00 13.22 C ATOM 59 CD ARG A 7 -0.775 3.221 -16.633 1.00 33.12 C ATOM 60 NE ARG A 7 0.415 3.462 -17.444 1.00 13.42 N ATOM 61 CZ ARG A 7 0.420 4.218 -18.536 1.00 14.13 C ATOM 62 NH1 ARG A 7 -0.696 4.805 -18.945 1.00 33.03 N ATOM 63 NH2 ARG A 7 1.544 4.391 -19.220 1.00 34.43 N ATOM 0 H ARG A 7 0.172 2.135 -12.259 1.00 0.33 H new ATOM 0 HA ARG A 7 0.345 4.410 -13.972 1.00 23.23 H new ATOM 0 HB2 ARG A 7 -1.506 2.078 -13.555 1.00 54.03 H new ATOM 0 HB3 ARG A 7 -2.092 3.439 -14.490 1.00 54.03 H new ATOM 0 HG2 ARG A 7 0.610 2.390 -15.218 1.00 13.22 H new ATOM 0 HG3 ARG A 7 -0.756 1.353 -15.575 1.00 13.22 H new ATOM 0 HD2 ARG A 7 -1.527 2.711 -17.235 1.00 33.12 H new ATOM 0 HD3 ARG A 7 -1.205 4.175 -16.328 1.00 33.12 H new ATOM 0 HE ARG A 7 1.291 3.026 -17.156 1.00 13.42 H new ATOM 0 HH11 ARG A 7 -1.561 4.677 -18.421 1.00 33.03 H new ATOM 0 HH12 ARG A 7 -0.689 5.385 -19.784 1.00 33.03 H new ATOM 0 HH21 ARG A 7 2.405 3.943 -18.907 1.00 34.43 H new ATOM 0 HH22 ARG A 7 1.546 4.972 -20.058 1.00 34.43 H new ATOM 77 N ASP A 8 -2.023 4.397 -11.657 1.00 72.44 N ATOM 78 CA ASP A 8 -2.930 5.258 -10.907 1.00 2.15 C ATOM 79 C ASP A 8 -2.170 6.408 -10.254 1.00 11.42 C ATOM 80 O ASP A 8 -2.701 7.508 -10.101 1.00 33.23 O ATOM 81 CB ASP A 8 -3.670 4.449 -9.841 1.00 32.45 C ATOM 82 CG ASP A 8 -2.735 3.586 -9.016 1.00 3.02 C ATOM 83 OD1 ASP A 8 -2.351 4.017 -7.908 1.00 51.42 O ATOM 84 OD2 ASP A 8 -2.389 2.479 -9.478 1.00 31.01 O ATOM 0 H ASP A 8 -2.047 3.416 -11.379 1.00 72.44 H new ATOM 0 HA ASP A 8 -3.656 5.675 -11.604 1.00 2.15 H new ATOM 0 HB2 ASP A 8 -4.208 5.129 -9.181 1.00 32.45 H new ATOM 0 HB3 ASP A 8 -4.415 3.815 -10.322 1.00 32.45 H new ATOM 89 N TRP A 9 -0.926 6.146 -9.870 1.00 4.30 N ATOM 90 CA TRP A 9 -0.093 7.160 -9.233 1.00 30.45 C ATOM 91 C TRP A 9 0.296 8.249 -10.226 1.00 43.11 C ATOM 92 O TRP A 9 -0.046 9.418 -10.047 1.00 41.41 O ATOM 93 CB TRP A 9 1.163 6.519 -8.640 1.00 53.21 C ATOM 94 CG TRP A 9 1.789 7.336 -7.550 1.00 44.35 C ATOM 95 CD1 TRP A 9 3.093 7.734 -7.472 1.00 1.22 C ATOM 96 CD2 TRP A 9 1.138 7.851 -6.384 1.00 63.45 C ATOM 97 NE1 TRP A 9 3.292 8.466 -6.326 1.00 0.22 N ATOM 98 CE2 TRP A 9 2.108 8.552 -5.642 1.00 11.40 C ATOM 99 CE3 TRP A 9 -0.170 7.788 -5.895 1.00 45.33 C ATOM 100 CZ2 TRP A 9 1.809 9.186 -4.438 1.00 64.25 C ATOM 101 CZ3 TRP A 9 -0.464 8.417 -4.700 1.00 21.41 C ATOM 102 CH2 TRP A 9 0.521 9.109 -3.983 1.00 44.13 C ATOM 0 H TRP A 9 -0.472 5.240 -9.988 1.00 4.30 H new ATOM 0 HA TRP A 9 -0.672 7.618 -8.431 1.00 30.45 H new ATOM 0 HB2 TRP A 9 0.909 5.535 -8.246 1.00 53.21 H new ATOM 0 HB3 TRP A 9 1.893 6.365 -9.434 1.00 53.21 H new ATOM 0 HD1 TRP A 9 3.855 7.507 -8.203 1.00 1.22 H new ATOM 0 HE1 TRP A 9 4.178 8.878 -6.032 1.00 0.22 H new ATOM 0 HE3 TRP A 9 -0.936 7.258 -6.441 1.00 45.33 H new ATOM 0 HZ2 TRP A 9 2.567 9.719 -3.884 1.00 64.25 H new ATOM 0 HZ3 TRP A 9 -1.471 8.374 -4.312 1.00 21.41 H new ATOM 0 HH2 TRP A 9 0.258 9.591 -3.053 1.00 44.13 H new ATOM 113 N LYS A 10 1.014 7.859 -11.274 1.00 72.34 N ATOM 114 CA LYS A 10 1.449 8.801 -12.298 1.00 22.32 C ATOM 115 C LYS A 10 0.266 9.592 -12.847 1.00 73.41 C ATOM 116 O LYS A 10 0.387 10.780 -13.147 1.00 64.12 O ATOM 117 CB LYS A 10 2.153 8.059 -13.437 1.00 31.21 C ATOM 118 CG LYS A 10 3.642 8.345 -13.520 1.00 74.02 C ATOM 119 CD LYS A 10 4.014 8.983 -14.848 1.00 54.15 C ATOM 120 CE LYS A 10 3.816 10.492 -14.817 1.00 63.40 C ATOM 121 NZ LYS A 10 3.904 11.090 -16.178 1.00 22.05 N ATOM 0 H LYS A 10 1.307 6.896 -11.436 1.00 72.34 H new ATOM 0 HA LYS A 10 2.149 9.499 -11.840 1.00 22.32 H new ATOM 0 HB2 LYS A 10 2.004 6.987 -13.308 1.00 31.21 H new ATOM 0 HB3 LYS A 10 1.685 8.334 -14.382 1.00 31.21 H new ATOM 0 HG2 LYS A 10 3.932 9.006 -12.704 1.00 74.02 H new ATOM 0 HG3 LYS A 10 4.199 7.417 -13.392 1.00 74.02 H new ATOM 0 HD2 LYS A 10 5.054 8.756 -15.083 1.00 54.15 H new ATOM 0 HD3 LYS A 10 3.406 8.551 -15.643 1.00 54.15 H new ATOM 0 HE2 LYS A 10 2.844 10.722 -14.381 1.00 63.40 H new ATOM 0 HE3 LYS A 10 4.569 10.944 -14.172 1.00 63.40 H new ATOM 0 HZ1 LYS A 10 3.764 12.119 -16.115 1.00 22.05 H new ATOM 0 HZ2 LYS A 10 4.841 10.892 -16.584 1.00 22.05 H new ATOM 0 HZ3 LYS A 10 3.169 10.677 -16.787 1.00 22.05 H new ATOM 135 N MET A 11 -0.877 8.926 -12.976 1.00 50.00 N ATOM 136 CA MET A 11 -2.083 9.570 -13.486 1.00 43.13 C ATOM 137 C MET A 11 -2.624 10.583 -12.484 1.00 23.03 C ATOM 138 O MET A 11 -3.155 11.626 -12.866 1.00 45.21 O ATOM 139 CB MET A 11 -3.153 8.521 -13.799 1.00 4.43 C ATOM 140 CG MET A 11 -2.927 7.798 -15.116 1.00 61.22 C ATOM 141 SD MET A 11 -4.063 8.339 -16.409 1.00 12.42 S ATOM 142 CE MET A 11 -5.543 7.437 -15.957 1.00 51.45 C ATOM 0 H MET A 11 -0.994 7.942 -12.735 1.00 50.00 H new ATOM 0 HA MET A 11 -1.823 10.098 -14.403 1.00 43.13 H new ATOM 0 HB2 MET A 11 -3.180 7.789 -12.992 1.00 4.43 H new ATOM 0 HB3 MET A 11 -4.129 9.005 -13.823 1.00 4.43 H new ATOM 0 HG2 MET A 11 -1.901 7.964 -15.446 1.00 61.22 H new ATOM 0 HG3 MET A 11 -3.043 6.725 -14.962 1.00 61.22 H new ATOM 0 HE1 MET A 11 -6.340 7.667 -16.665 1.00 51.45 H new ATOM 0 HE2 MET A 11 -5.337 6.367 -15.977 1.00 51.45 H new ATOM 0 HE3 MET A 11 -5.854 7.728 -14.954 1.00 51.45 H new ATOM 152 N ALA A 12 -2.487 10.270 -11.199 1.00 73.31 N ATOM 153 CA ALA A 12 -2.961 11.154 -10.142 1.00 33.32 C ATOM 154 C ALA A 12 -2.207 12.478 -10.154 1.00 43.21 C ATOM 155 O ALA A 12 -2.798 13.542 -9.967 1.00 10.43 O ATOM 156 CB ALA A 12 -2.824 10.477 -8.786 1.00 2.20 C ATOM 0 H ALA A 12 -2.051 9.410 -10.866 1.00 73.31 H new ATOM 0 HA ALA A 12 -4.015 11.365 -10.325 1.00 33.32 H new ATOM 0 HB1 ALA A 12 -3.182 11.149 -8.006 1.00 2.20 H new ATOM 0 HB2 ALA A 12 -3.415 9.561 -8.775 1.00 2.20 H new ATOM 0 HB3 ALA A 12 -1.777 10.235 -8.604 1.00 2.20 H new ATOM 162 N ILE A 13 -0.898 12.406 -10.375 1.00 20.13 N ATOM 163 CA ILE A 13 -0.063 13.599 -10.411 1.00 13.41 C ATOM 164 C ILE A 13 -0.390 14.462 -11.626 1.00 21.14 C ATOM 165 O ILE A 13 -0.689 15.649 -11.496 1.00 34.35 O ATOM 166 CB ILE A 13 1.434 13.239 -10.440 1.00 3.15 C ATOM 167 CG1 ILE A 13 1.812 12.440 -9.191 1.00 25.44 C ATOM 168 CG2 ILE A 13 2.280 14.499 -10.545 1.00 52.43 C ATOM 169 CD1 ILE A 13 1.693 13.231 -7.908 1.00 13.41 C ATOM 0 H ILE A 13 -0.394 11.533 -10.532 1.00 20.13 H new ATOM 0 HA ILE A 13 -0.275 14.160 -9.501 1.00 13.41 H new ATOM 0 HB ILE A 13 1.627 12.621 -11.317 1.00 3.15 H new ATOM 0 HG12 ILE A 13 1.173 11.559 -9.126 1.00 25.44 H new ATOM 0 HG13 ILE A 13 2.837 12.083 -9.294 1.00 25.44 H new ATOM 0 HG21 ILE A 13 3.336 14.228 -10.564 1.00 52.43 H new ATOM 0 HG22 ILE A 13 2.026 15.033 -11.461 1.00 52.43 H new ATOM 0 HG23 ILE A 13 2.086 15.140 -9.685 1.00 52.43 H new ATOM 0 HD11 ILE A 13 1.977 12.601 -7.065 1.00 13.41 H new ATOM 0 HD12 ILE A 13 2.353 14.097 -7.952 1.00 13.41 H new ATOM 0 HD13 ILE A 13 0.663 13.565 -7.781 1.00 13.41 H new ATOM 181 N LYS A 14 -0.331 13.857 -12.807 1.00 14.33 N ATOM 182 CA LYS A 14 -0.623 14.567 -14.047 1.00 32.12 C ATOM 183 C LYS A 14 -2.026 15.165 -14.013 1.00 10.31 C ATOM 184 O LYS A 14 -2.231 16.314 -14.406 1.00 34.15 O ATOM 185 CB LYS A 14 -0.488 13.623 -15.244 1.00 1.42 C ATOM 186 CG LYS A 14 -0.423 14.342 -16.581 1.00 32.03 C ATOM 187 CD LYS A 14 0.001 13.404 -17.698 1.00 41.01 C ATOM 188 CE LYS A 14 0.268 14.160 -18.989 1.00 44.34 C ATOM 189 NZ LYS A 14 1.725 14.289 -19.265 1.00 44.43 N ATOM 0 H LYS A 14 -0.083 12.875 -12.932 1.00 14.33 H new ATOM 0 HA LYS A 14 0.097 15.379 -14.150 1.00 32.12 H new ATOM 0 HB2 LYS A 14 0.412 13.020 -15.121 1.00 1.42 H new ATOM 0 HB3 LYS A 14 -1.334 12.936 -15.251 1.00 1.42 H new ATOM 0 HG2 LYS A 14 -1.399 14.769 -16.814 1.00 32.03 H new ATOM 0 HG3 LYS A 14 0.280 15.172 -16.515 1.00 32.03 H new ATOM 0 HD2 LYS A 14 0.899 12.863 -17.399 1.00 41.01 H new ATOM 0 HD3 LYS A 14 -0.778 12.660 -17.865 1.00 41.01 H new ATOM 0 HE2 LYS A 14 -0.214 13.643 -19.819 1.00 44.34 H new ATOM 0 HE3 LYS A 14 -0.179 15.152 -18.928 1.00 44.34 H new ATOM 0 HZ1 LYS A 14 1.865 14.811 -20.154 1.00 44.43 H new ATOM 0 HZ2 LYS A 14 2.182 14.804 -18.486 1.00 44.43 H new ATOM 0 HZ3 LYS A 14 2.148 13.342 -19.349 1.00 44.43 H new ATOM 203 N ARG A 15 -2.988 14.379 -13.541 1.00 60.44 N ATOM 204 CA ARG A 15 -4.372 14.832 -13.457 1.00 23.30 C ATOM 205 C ARG A 15 -4.481 16.089 -12.600 1.00 34.32 C ATOM 206 O ARG A 15 -5.124 17.064 -12.991 1.00 2.54 O ATOM 207 CB ARG A 15 -5.257 13.727 -12.876 1.00 34.22 C ATOM 208 CG ARG A 15 -6.734 14.083 -12.847 1.00 33.11 C ATOM 209 CD ARG A 15 -7.403 13.795 -14.182 1.00 23.31 C ATOM 210 NE ARG A 15 -7.372 14.953 -15.071 1.00 31.52 N ATOM 211 CZ ARG A 15 -8.094 15.044 -16.183 1.00 3.34 C ATOM 212 NH1 ARG A 15 -8.898 14.052 -16.539 1.00 13.44 N ATOM 213 NH2 ARG A 15 -8.011 16.131 -16.940 1.00 10.11 N ATOM 0 H ARG A 15 -2.835 13.426 -13.211 1.00 60.44 H new ATOM 0 HA ARG A 15 -4.713 15.070 -14.465 1.00 23.30 H new ATOM 0 HB2 ARG A 15 -5.122 12.819 -13.463 1.00 34.22 H new ATOM 0 HB3 ARG A 15 -4.926 13.503 -11.862 1.00 34.22 H new ATOM 0 HG2 ARG A 15 -7.231 13.516 -12.060 1.00 33.11 H new ATOM 0 HG3 ARG A 15 -6.850 15.138 -12.601 1.00 33.11 H new ATOM 0 HD2 ARG A 15 -6.903 12.955 -14.664 1.00 23.31 H new ATOM 0 HD3 ARG A 15 -8.437 13.496 -14.012 1.00 23.31 H new ATOM 0 HE ARG A 15 -6.764 15.734 -14.825 1.00 31.52 H new ATOM 0 HH11 ARG A 15 -8.964 13.216 -15.959 1.00 13.44 H new ATOM 0 HH12 ARG A 15 -9.451 14.125 -17.393 1.00 13.44 H new ATOM 0 HH21 ARG A 15 -7.393 16.896 -16.668 1.00 10.11 H new ATOM 0 HH22 ARG A 15 -8.565 16.202 -17.794 1.00 10.11 H new ATOM 227 N CYS A 16 -3.851 16.059 -11.431 1.00 41.41 N ATOM 228 CA CYS A 16 -3.878 17.197 -10.518 1.00 41.45 C ATOM 229 C CYS A 16 -3.190 18.409 -11.139 1.00 73.41 C ATOM 230 O CYS A 16 -3.510 19.551 -10.812 1.00 74.00 O ATOM 231 CB CYS A 16 -3.200 16.833 -9.196 1.00 61.13 C ATOM 232 SG CYS A 16 -4.351 16.558 -7.829 1.00 0.32 S ATOM 0 H CYS A 16 -3.315 15.260 -11.093 1.00 41.41 H new ATOM 0 HA CYS A 16 -4.920 17.452 -10.326 1.00 41.45 H new ATOM 0 HB2 CYS A 16 -2.603 15.932 -9.342 1.00 61.13 H new ATOM 0 HB3 CYS A 16 -2.510 17.631 -8.922 1.00 61.13 H new ATOM 0 HG CYS A 16 -3.685 16.254 -6.755 1.00 0.32 H new ATOM 238 N SER A 17 -2.244 18.151 -12.035 1.00 44.54 N ATOM 239 CA SER A 17 -1.507 19.220 -12.698 1.00 5.51 C ATOM 240 C SER A 17 -2.460 20.190 -13.390 1.00 30.54 C ATOM 241 O SER A 17 -2.138 21.361 -13.585 1.00 61.41 O ATOM 242 CB SER A 17 -0.525 18.638 -13.717 1.00 32.31 C ATOM 243 OG SER A 17 0.556 19.523 -13.948 1.00 42.12 O ATOM 0 H SER A 17 -1.969 17.211 -12.319 1.00 44.54 H new ATOM 0 HA SER A 17 -0.949 19.766 -11.938 1.00 5.51 H new ATOM 0 HB2 SER A 17 -0.145 17.682 -13.356 1.00 32.31 H new ATOM 0 HB3 SER A 17 -1.044 18.441 -14.655 1.00 32.31 H new ATOM 0 HG SER A 17 1.169 19.127 -14.602 1.00 42.12 H new ATOM 249 N ASN A 18 -3.635 19.691 -13.759 1.00 13.44 N ATOM 250 CA ASN A 18 -4.637 20.512 -14.429 1.00 73.43 C ATOM 251 C ASN A 18 -5.442 21.322 -13.419 1.00 12.44 C ATOM 252 O ASN A 18 -5.974 22.384 -13.741 1.00 54.51 O ATOM 253 CB ASN A 18 -5.576 19.632 -15.257 1.00 31.43 C ATOM 254 CG ASN A 18 -5.638 20.059 -16.710 1.00 74.02 C ATOM 255 OD1 ASN A 18 -6.662 20.556 -17.180 1.00 42.13 O ATOM 256 ND2 ASN A 18 -4.539 19.868 -17.430 1.00 71.34 N ATOM 0 H ASN A 18 -3.917 18.723 -13.606 1.00 13.44 H new ATOM 0 HA ASN A 18 -4.118 21.204 -15.092 1.00 73.43 H new ATOM 0 HB2 ASN A 18 -5.243 18.596 -15.200 1.00 31.43 H new ATOM 0 HB3 ASN A 18 -6.577 19.669 -14.827 1.00 31.43 H new ATOM 0 HD21 ASN A 18 -4.521 20.137 -18.414 1.00 71.34 H new ATOM 0 HD22 ASN A 18 -3.713 19.453 -16.999 1.00 71.34 H new ATOM 263 N VAL A 19 -5.526 20.816 -12.193 1.00 44.02 N ATOM 264 CA VAL A 19 -6.263 21.494 -11.133 1.00 70.44 C ATOM 265 C VAL A 19 -5.590 22.806 -10.748 1.00 20.24 C ATOM 266 O VAL A 19 -4.376 22.858 -10.549 1.00 32.51 O ATOM 267 CB VAL A 19 -6.388 20.606 -9.881 1.00 24.23 C ATOM 268 CG1 VAL A 19 -7.292 21.263 -8.848 1.00 42.33 C ATOM 269 CG2 VAL A 19 -6.908 19.226 -10.254 1.00 61.04 C ATOM 0 H VAL A 19 -5.092 19.938 -11.909 1.00 44.02 H new ATOM 0 HA VAL A 19 -7.259 21.702 -11.523 1.00 70.44 H new ATOM 0 HB VAL A 19 -5.398 20.489 -9.441 1.00 24.23 H new ATOM 0 HG11 VAL A 19 -7.368 20.621 -7.970 1.00 42.33 H new ATOM 0 HG12 VAL A 19 -6.873 22.226 -8.558 1.00 42.33 H new ATOM 0 HG13 VAL A 19 -8.284 21.413 -9.275 1.00 42.33 H new ATOM 0 HG21 VAL A 19 -6.990 18.613 -9.356 1.00 61.04 H new ATOM 0 HG22 VAL A 19 -7.889 19.320 -10.719 1.00 61.04 H new ATOM 0 HG23 VAL A 19 -6.218 18.754 -10.954 1.00 61.04 H new ATOM 279 N ALA A 20 -6.386 23.865 -10.644 1.00 35.31 N ATOM 280 CA ALA A 20 -5.868 25.178 -10.280 1.00 63.22 C ATOM 281 C ALA A 20 -5.468 25.222 -8.809 1.00 62.32 C ATOM 282 O ALA A 20 -5.629 24.240 -8.082 1.00 53.54 O ATOM 283 CB ALA A 20 -6.900 26.254 -10.581 1.00 50.14 C ATOM 0 H ALA A 20 -7.393 23.839 -10.807 1.00 35.31 H new ATOM 0 HA ALA A 20 -4.976 25.368 -10.877 1.00 63.22 H new ATOM 0 HB1 ALA A 20 -6.500 27.229 -10.304 1.00 50.14 H new ATOM 0 HB2 ALA A 20 -7.134 26.246 -11.646 1.00 50.14 H new ATOM 0 HB3 ALA A 20 -7.807 26.058 -10.009 1.00 50.14 H new ATOM 289 N VAL A 21 -4.947 26.364 -8.377 1.00 13.53 N ATOM 290 CA VAL A 21 -4.524 26.536 -6.991 1.00 71.12 C ATOM 291 C VAL A 21 -4.762 27.966 -6.518 1.00 61.21 C ATOM 292 O VAL A 21 -4.066 28.462 -5.633 1.00 71.43 O ATOM 293 CB VAL A 21 -3.035 26.188 -6.812 1.00 2.45 C ATOM 294 CG1 VAL A 21 -2.810 24.695 -6.984 1.00 74.40 C ATOM 295 CG2 VAL A 21 -2.181 26.981 -7.791 1.00 72.40 C ATOM 0 H VAL A 21 -4.807 27.185 -8.966 1.00 13.53 H new ATOM 0 HA VAL A 21 -5.123 25.853 -6.389 1.00 71.12 H new ATOM 0 HB VAL A 21 -2.736 26.461 -5.800 1.00 2.45 H new ATOM 0 HG11 VAL A 21 -1.752 24.469 -6.854 1.00 74.40 H new ATOM 0 HG12 VAL A 21 -3.391 24.151 -6.239 1.00 74.40 H new ATOM 0 HG13 VAL A 21 -3.125 24.392 -7.982 1.00 74.40 H new ATOM 0 HG21 VAL A 21 -1.131 26.723 -7.650 1.00 72.40 H new ATOM 0 HG22 VAL A 21 -2.480 26.742 -8.811 1.00 72.40 H new ATOM 0 HG23 VAL A 21 -2.319 28.048 -7.613 1.00 72.40 H new ATOM 375 N LYS A 28 -2.435 29.565 -10.942 1.00 32.31 N ATOM 376 CA LYS A 28 -1.529 28.430 -11.076 1.00 54.15 C ATOM 377 C LYS A 28 -2.277 27.113 -10.893 1.00 44.33 C ATOM 378 O LYS A 28 -3.490 27.098 -10.686 1.00 53.51 O ATOM 379 CB LYS A 28 -0.397 28.532 -10.053 1.00 2.24 C ATOM 380 CG LYS A 28 0.690 29.520 -10.444 1.00 71.02 C ATOM 381 CD LYS A 28 1.221 30.272 -9.236 1.00 63.42 C ATOM 382 CE LYS A 28 0.993 31.770 -9.366 1.00 75.32 C ATOM 383 NZ LYS A 28 1.746 32.348 -10.513 1.00 52.14 N ATOM 0 HA LYS A 28 -1.106 28.451 -12.080 1.00 54.15 H new ATOM 0 HB2 LYS A 28 -0.814 28.826 -9.090 1.00 2.24 H new ATOM 0 HB3 LYS A 28 0.050 27.547 -9.919 1.00 2.24 H new ATOM 0 HG2 LYS A 28 1.508 28.989 -10.931 1.00 71.02 H new ATOM 0 HG3 LYS A 28 0.294 30.230 -11.170 1.00 71.02 H new ATOM 0 HD2 LYS A 28 0.731 29.906 -8.334 1.00 63.42 H new ATOM 0 HD3 LYS A 28 2.287 30.074 -9.123 1.00 63.42 H new ATOM 0 HE2 LYS A 28 -0.072 31.965 -9.495 1.00 75.32 H new ATOM 0 HE3 LYS A 28 1.299 32.265 -8.444 1.00 75.32 H new ATOM 0 HZ1 LYS A 28 1.848 33.374 -10.379 1.00 52.14 H new ATOM 0 HZ2 LYS A 28 2.688 31.910 -10.566 1.00 52.14 H new ATOM 0 HZ3 LYS A 28 1.229 32.164 -11.396 1.00 52.14 H new ATOM 397 N LYS A 29 -1.544 26.007 -10.969 1.00 62.12 N ATOM 398 CA LYS A 29 -2.136 24.684 -10.810 1.00 32.03 C ATOM 399 C LYS A 29 -1.326 23.841 -9.831 1.00 24.11 C ATOM 400 O LYS A 29 -0.365 24.321 -9.230 1.00 24.02 O ATOM 401 CB LYS A 29 -2.220 23.974 -12.162 1.00 71.52 C ATOM 402 CG LYS A 29 -0.888 23.885 -12.887 1.00 31.53 C ATOM 403 CD LYS A 29 -1.011 24.324 -14.336 1.00 31.24 C ATOM 404 CE LYS A 29 -0.552 25.762 -14.523 1.00 51.23 C ATOM 405 NZ LYS A 29 -0.566 26.167 -15.956 1.00 24.50 N ATOM 0 H LYS A 29 -0.538 26.001 -11.140 1.00 62.12 H new ATOM 0 HA LYS A 29 -3.142 24.809 -10.410 1.00 32.03 H new ATOM 0 HB2 LYS A 29 -2.609 22.967 -12.011 1.00 71.52 H new ATOM 0 HB3 LYS A 29 -2.934 24.500 -12.795 1.00 71.52 H new ATOM 0 HG2 LYS A 29 -0.153 24.509 -12.378 1.00 31.53 H new ATOM 0 HG3 LYS A 29 -0.519 22.860 -12.847 1.00 31.53 H new ATOM 0 HD2 LYS A 29 -0.416 23.666 -14.969 1.00 31.24 H new ATOM 0 HD3 LYS A 29 -2.047 24.226 -14.660 1.00 31.24 H new ATOM 0 HE2 LYS A 29 -1.199 26.427 -13.951 1.00 51.23 H new ATOM 0 HE3 LYS A 29 0.456 25.877 -14.123 1.00 51.23 H new ATOM 0 HZ1 LYS A 29 -0.247 27.153 -16.041 1.00 24.50 H new ATOM 0 HZ2 LYS A 29 0.071 25.549 -16.498 1.00 24.50 H new ATOM 0 HZ3 LYS A 29 -1.532 26.082 -16.331 1.00 24.50 H new ATOM 419 N PHE A 30 -1.719 22.581 -9.675 1.00 62.25 N ATOM 420 CA PHE A 30 -1.029 21.670 -8.770 1.00 30.35 C ATOM 421 C PHE A 30 0.194 21.055 -9.444 1.00 2.23 C ATOM 422 O PHE A 30 0.358 21.147 -10.659 1.00 52.13 O ATOM 423 CB PHE A 30 -1.978 20.563 -8.304 1.00 52.34 C ATOM 424 CG PHE A 30 -2.315 20.640 -6.843 1.00 31.23 C ATOM 425 CD1 PHE A 30 -3.273 21.530 -6.384 1.00 4.53 C ATOM 426 CD2 PHE A 30 -1.676 19.820 -5.927 1.00 64.51 C ATOM 427 CE1 PHE A 30 -3.586 21.603 -5.040 1.00 23.12 C ATOM 428 CE2 PHE A 30 -1.985 19.887 -4.581 1.00 73.12 C ATOM 429 CZ PHE A 30 -2.940 20.781 -4.137 1.00 75.43 C ATOM 0 H PHE A 30 -2.513 22.168 -10.164 1.00 62.25 H new ATOM 0 HA PHE A 30 -0.696 22.242 -7.904 1.00 30.35 H new ATOM 0 HB2 PHE A 30 -2.899 20.616 -8.885 1.00 52.34 H new ATOM 0 HB3 PHE A 30 -1.525 19.594 -8.514 1.00 52.34 H new ATOM 0 HD1 PHE A 30 -3.781 22.175 -7.086 1.00 4.53 H new ATOM 0 HD2 PHE A 30 -0.928 19.120 -6.268 1.00 64.51 H new ATOM 0 HE1 PHE A 30 -4.334 22.302 -4.696 1.00 23.12 H new ATOM 0 HE2 PHE A 30 -1.480 19.241 -3.878 1.00 73.12 H new ATOM 0 HZ PHE A 30 -3.181 20.837 -3.086 1.00 75.43 H new ATOM 439 N GLY A 31 1.053 20.430 -8.643 1.00 35.22 N ATOM 440 CA GLY A 31 2.250 19.810 -9.179 1.00 52.11 C ATOM 441 C GLY A 31 2.773 18.697 -8.294 1.00 31.42 C ATOM 442 O GLY A 31 2.327 18.538 -7.158 1.00 34.31 O ATOM 0 H GLY A 31 0.941 20.343 -7.633 1.00 35.22 H new ATOM 0 HA2 GLY A 31 2.036 19.411 -10.171 1.00 52.11 H new ATOM 0 HA3 GLY A 31 3.024 20.567 -9.301 1.00 52.11 H new ATOM 446 N GLU A 32 3.721 17.923 -8.814 1.00 53.54 N ATOM 447 CA GLU A 32 4.302 16.818 -8.063 1.00 22.01 C ATOM 448 C GLU A 32 5.042 17.328 -6.829 1.00 32.22 C ATOM 449 O GLU A 32 4.929 16.759 -5.745 1.00 1.21 O ATOM 450 CB GLU A 32 5.258 16.016 -8.948 1.00 51.43 C ATOM 451 CG GLU A 32 6.361 16.856 -9.569 1.00 41.44 C ATOM 452 CD GLU A 32 6.879 16.271 -10.869 1.00 24.52 C ATOM 453 OE1 GLU A 32 6.049 15.856 -11.705 1.00 54.22 O ATOM 454 OE2 GLU A 32 8.114 16.226 -11.050 1.00 21.32 O ATOM 0 H GLU A 32 4.102 18.042 -9.753 1.00 53.54 H new ATOM 0 HA GLU A 32 3.490 16.169 -7.737 1.00 22.01 H new ATOM 0 HB2 GLU A 32 5.709 15.221 -8.354 1.00 51.43 H new ATOM 0 HB3 GLU A 32 4.687 15.536 -9.743 1.00 51.43 H new ATOM 0 HG2 GLU A 32 5.986 17.863 -9.752 1.00 41.44 H new ATOM 0 HG3 GLU A 32 7.185 16.946 -8.862 1.00 41.44 H new ATOM 461 N GLY A 33 5.800 18.406 -7.005 1.00 3.33 N ATOM 462 CA GLY A 33 6.549 18.974 -5.899 1.00 15.44 C ATOM 463 C GLY A 33 5.654 19.406 -4.754 1.00 73.42 C ATOM 464 O GLY A 33 5.901 19.061 -3.600 1.00 23.12 O ATOM 0 H GLY A 33 5.909 18.896 -7.893 1.00 3.33 H new ATOM 0 HA2 GLY A 33 7.269 18.240 -5.537 1.00 15.44 H new ATOM 0 HA3 GLY A 33 7.120 19.832 -6.254 1.00 15.44 H new ATOM 468 N ASN A 34 4.610 20.165 -5.075 1.00 44.41 N ATOM 469 CA ASN A 34 3.677 20.647 -4.064 1.00 11.00 C ATOM 470 C ASN A 34 2.892 19.489 -3.453 1.00 4.32 C ATOM 471 O ASN A 34 2.634 19.467 -2.248 1.00 41.32 O ATOM 472 CB ASN A 34 2.712 21.665 -4.674 1.00 73.44 C ATOM 473 CG ASN A 34 3.246 23.083 -4.602 1.00 75.12 C ATOM 474 OD1 ASN A 34 2.908 23.839 -3.692 1.00 53.40 O ATOM 475 ND2 ASN A 34 4.083 23.448 -5.565 1.00 44.34 N ATOM 0 H ASN A 34 4.390 20.459 -6.027 1.00 44.41 H new ATOM 0 HA ASN A 34 4.253 21.130 -3.275 1.00 11.00 H new ATOM 0 HB2 ASN A 34 2.523 21.403 -5.715 1.00 73.44 H new ATOM 0 HB3 ASN A 34 1.756 21.613 -4.153 1.00 73.44 H new ATOM 0 HD21 ASN A 34 4.474 24.390 -5.571 1.00 44.34 H new ATOM 0 HD22 ASN A 34 4.335 22.787 -6.300 1.00 44.34 H new ATOM 482 N PHE A 35 2.517 18.528 -4.290 1.00 4.25 N ATOM 483 CA PHE A 35 1.762 17.368 -3.833 1.00 64.42 C ATOM 484 C PHE A 35 2.495 16.654 -2.701 1.00 63.43 C ATOM 485 O PHE A 35 1.883 16.224 -1.723 1.00 52.15 O ATOM 486 CB PHE A 35 1.524 16.399 -4.993 1.00 35.44 C ATOM 487 CG PHE A 35 0.943 15.081 -4.564 1.00 53.20 C ATOM 488 CD1 PHE A 35 1.635 13.901 -4.782 1.00 24.02 C ATOM 489 CD2 PHE A 35 -0.294 15.024 -3.943 1.00 34.53 C ATOM 490 CE1 PHE A 35 1.105 12.687 -4.388 1.00 42.42 C ATOM 491 CE2 PHE A 35 -0.829 13.813 -3.547 1.00 74.51 C ATOM 492 CZ PHE A 35 -0.130 12.643 -3.771 1.00 63.11 C ATOM 0 H PHE A 35 2.724 18.530 -5.289 1.00 4.25 H new ATOM 0 HA PHE A 35 0.800 17.716 -3.457 1.00 64.42 H new ATOM 0 HB2 PHE A 35 0.853 16.866 -5.714 1.00 35.44 H new ATOM 0 HB3 PHE A 35 2.469 16.221 -5.507 1.00 35.44 H new ATOM 0 HD1 PHE A 35 2.600 13.930 -5.266 1.00 24.02 H new ATOM 0 HD2 PHE A 35 -0.846 15.935 -3.767 1.00 34.53 H new ATOM 0 HE1 PHE A 35 1.655 11.774 -4.562 1.00 42.42 H new ATOM 0 HE2 PHE A 35 -1.794 13.781 -3.062 1.00 74.51 H new ATOM 0 HZ PHE A 35 -0.548 11.696 -3.464 1.00 63.11 H new ATOM 502 N ARG A 36 3.811 16.528 -2.843 1.00 50.30 N ATOM 503 CA ARG A 36 4.628 15.864 -1.835 1.00 4.55 C ATOM 504 C ARG A 36 4.713 16.705 -0.564 1.00 2.43 C ATOM 505 O ARG A 36 4.422 16.224 0.530 1.00 30.33 O ATOM 506 CB ARG A 36 6.034 15.601 -2.380 1.00 71.52 C ATOM 507 CG ARG A 36 6.042 14.969 -3.762 1.00 45.03 C ATOM 508 CD ARG A 36 6.825 13.666 -3.774 1.00 41.34 C ATOM 509 NE ARG A 36 8.267 13.894 -3.825 1.00 75.14 N ATOM 510 CZ ARG A 36 8.914 14.259 -4.927 1.00 62.51 C ATOM 511 NH1 ARG A 36 8.251 14.437 -6.061 1.00 4.43 N ATOM 512 NH2 ARG A 36 10.227 14.447 -4.894 1.00 73.33 N ATOM 0 H ARG A 36 4.334 16.877 -3.646 1.00 50.30 H new ATOM 0 HA ARG A 36 4.156 14.912 -1.590 1.00 4.55 H new ATOM 0 HB2 ARG A 36 6.582 16.542 -2.417 1.00 71.52 H new ATOM 0 HB3 ARG A 36 6.567 14.949 -1.688 1.00 71.52 H new ATOM 0 HG2 ARG A 36 5.017 14.782 -4.084 1.00 45.03 H new ATOM 0 HG3 ARG A 36 6.479 15.664 -4.479 1.00 45.03 H new ATOM 0 HD2 ARG A 36 6.581 13.088 -2.883 1.00 41.34 H new ATOM 0 HD3 ARG A 36 6.522 13.069 -4.634 1.00 41.34 H new ATOM 0 HE ARG A 36 8.806 13.766 -2.969 1.00 75.14 H new ATOM 0 HH11 ARG A 36 7.241 14.294 -6.089 1.00 4.43 H new ATOM 0 HH12 ARG A 36 8.750 14.717 -6.905 1.00 4.43 H new ATOM 0 HH21 ARG A 36 10.740 14.311 -4.023 1.00 73.33 H new ATOM 0 HH22 ARG A 36 10.724 14.727 -5.740 1.00 73.33 H new ATOM 526 N TRP A 37 5.116 17.961 -0.717 1.00 54.34 N ATOM 527 CA TRP A 37 5.240 18.868 0.417 1.00 34.12 C ATOM 528 C TRP A 37 3.960 18.881 1.247 1.00 51.14 C ATOM 529 O TRP A 37 3.998 19.086 2.459 1.00 72.04 O ATOM 530 CB TRP A 37 5.563 20.283 -0.066 1.00 71.14 C ATOM 531 CG TRP A 37 5.317 21.337 0.971 1.00 44.01 C ATOM 532 CD1 TRP A 37 6.249 21.928 1.776 1.00 55.24 C ATOM 533 CD2 TRP A 37 4.056 21.921 1.316 1.00 23.33 C ATOM 534 NE1 TRP A 37 5.644 22.845 2.600 1.00 34.11 N ATOM 535 CE2 TRP A 37 4.299 22.860 2.338 1.00 13.21 C ATOM 536 CE3 TRP A 37 2.747 21.745 0.861 1.00 30.33 C ATOM 537 CZ2 TRP A 37 3.281 23.618 2.910 1.00 74.31 C ATOM 538 CZ3 TRP A 37 1.737 22.496 1.431 1.00 51.34 C ATOM 539 CH2 TRP A 37 2.007 23.424 2.445 1.00 64.01 C ATOM 0 H TRP A 37 5.363 18.374 -1.616 1.00 54.34 H new ATOM 0 HA TRP A 37 6.056 18.512 1.046 1.00 34.12 H new ATOM 0 HB2 TRP A 37 6.608 20.324 -0.374 1.00 71.14 H new ATOM 0 HB3 TRP A 37 4.962 20.504 -0.948 1.00 71.14 H new ATOM 0 HD1 TRP A 37 7.306 21.707 1.766 1.00 55.24 H new ATOM 0 HE1 TRP A 37 6.119 23.422 3.295 1.00 34.11 H new ATOM 0 HE3 TRP A 37 2.528 21.034 0.078 1.00 30.33 H new ATOM 0 HZ2 TRP A 37 3.488 24.333 3.692 1.00 74.31 H new ATOM 0 HZ3 TRP A 37 0.721 22.365 1.089 1.00 51.34 H new ATOM 0 HH2 TRP A 37 1.196 23.997 2.868 1.00 64.01 H new ATOM 550 N ALA A 38 2.829 18.661 0.584 1.00 11.22 N ATOM 551 CA ALA A 38 1.538 18.646 1.261 1.00 1.11 C ATOM 552 C ALA A 38 1.303 17.313 1.964 1.00 23.02 C ATOM 553 O ALA A 38 1.271 17.248 3.194 1.00 34.34 O ATOM 554 CB ALA A 38 0.418 18.926 0.269 1.00 63.30 C ATOM 0 H ALA A 38 2.781 18.491 -0.421 1.00 11.22 H new ATOM 0 HA ALA A 38 1.543 19.431 2.017 1.00 1.11 H new ATOM 0 HB1 ALA A 38 -0.540 18.912 0.788 1.00 63.30 H new ATOM 0 HB2 ALA A 38 0.570 19.905 -0.185 1.00 63.30 H new ATOM 0 HB3 ALA A 38 0.421 18.162 -0.508 1.00 63.30 H new ATOM 560 N ILE A 39 1.140 16.254 1.179 1.00 53.44 N ATOM 561 CA ILE A 39 0.909 14.925 1.727 1.00 31.24 C ATOM 562 C ILE A 39 1.933 14.589 2.807 1.00 15.41 C ATOM 563 O ILE A 39 1.628 13.882 3.766 1.00 2.04 O ATOM 564 CB ILE A 39 0.966 13.845 0.630 1.00 15.20 C ATOM 565 CG1 ILE A 39 2.391 13.708 0.092 1.00 70.33 C ATOM 566 CG2 ILE A 39 -0.001 14.183 -0.496 1.00 3.33 C ATOM 567 CD1 ILE A 39 2.518 12.707 -1.035 1.00 25.12 C ATOM 0 H ILE A 39 1.164 16.291 0.160 1.00 53.44 H new ATOM 0 HA ILE A 39 -0.089 14.935 2.165 1.00 31.24 H new ATOM 0 HB ILE A 39 0.669 12.891 1.064 1.00 15.20 H new ATOM 0 HG12 ILE A 39 2.734 14.682 -0.258 1.00 70.33 H new ATOM 0 HG13 ILE A 39 3.051 13.411 0.907 1.00 70.33 H new ATOM 0 HG21 ILE A 39 0.050 13.411 -1.264 1.00 3.33 H new ATOM 0 HG22 ILE A 39 -1.016 14.235 -0.101 1.00 3.33 H new ATOM 0 HG23 ILE A 39 0.269 15.145 -0.931 1.00 3.33 H new ATOM 0 HD11 ILE A 39 3.555 12.662 -1.367 1.00 25.12 H new ATOM 0 HD12 ILE A 39 2.206 11.723 -0.685 1.00 25.12 H new ATOM 0 HD13 ILE A 39 1.884 13.013 -1.867 1.00 25.12 H new ATOM 579 N ARG A 40 3.146 15.105 2.643 1.00 2.45 N ATOM 580 CA ARG A 40 4.215 14.861 3.605 1.00 44.40 C ATOM 581 C ARG A 40 3.992 15.666 4.882 1.00 33.02 C ATOM 582 O ARG A 40 3.918 15.106 5.975 1.00 33.13 O ATOM 583 CB ARG A 40 5.571 15.221 2.994 1.00 31.14 C ATOM 584 CG ARG A 40 6.756 14.709 3.797 1.00 42.50 C ATOM 585 CD ARG A 40 7.888 15.724 3.828 1.00 31.22 C ATOM 586 NE ARG A 40 9.161 15.112 4.198 1.00 2.30 N ATOM 587 CZ ARG A 40 10.326 15.748 4.139 1.00 62.34 C ATOM 588 NH1 ARG A 40 10.379 17.007 3.727 1.00 22.00 N ATOM 589 NH2 ARG A 40 11.443 15.123 4.492 1.00 34.53 N ATOM 0 H ARG A 40 3.414 15.694 1.854 1.00 2.45 H new ATOM 0 HA ARG A 40 4.207 13.801 3.858 1.00 44.40 H new ATOM 0 HB2 ARG A 40 5.624 14.814 1.984 1.00 31.14 H new ATOM 0 HB3 ARG A 40 5.644 16.305 2.906 1.00 31.14 H new ATOM 0 HG2 ARG A 40 6.438 14.486 4.815 1.00 42.50 H new ATOM 0 HG3 ARG A 40 7.115 13.775 3.363 1.00 42.50 H new ATOM 0 HD2 ARG A 40 7.982 16.192 2.848 1.00 31.22 H new ATOM 0 HD3 ARG A 40 7.646 16.515 4.538 1.00 31.22 H new ATOM 0 HE ARG A 40 9.156 14.144 4.519 1.00 2.30 H new ATOM 0 HH11 ARG A 40 9.523 17.491 3.454 1.00 22.00 H new ATOM 0 HH12 ARG A 40 11.275 17.492 3.683 1.00 22.00 H new ATOM 0 HH21 ARG A 40 11.407 14.154 4.809 1.00 34.53 H new ATOM 0 HH22 ARG A 40 12.337 15.612 4.446 1.00 34.53 H new ATOM 603 N MET A 41 3.886 16.983 4.735 1.00 61.22 N ATOM 604 CA MET A 41 3.670 17.864 5.877 1.00 12.11 C ATOM 605 C MET A 41 2.444 17.431 6.673 1.00 22.25 C ATOM 606 O MET A 41 2.456 17.442 7.904 1.00 72.53 O ATOM 607 CB MET A 41 3.503 19.311 5.408 1.00 72.32 C ATOM 608 CG MET A 41 3.258 20.293 6.541 1.00 44.43 C ATOM 609 SD MET A 41 4.661 20.418 7.667 1.00 63.44 S ATOM 610 CE MET A 41 4.388 22.041 8.370 1.00 12.42 C ATOM 0 H MET A 41 3.946 17.463 3.837 1.00 61.22 H new ATOM 0 HA MET A 41 4.544 17.798 6.525 1.00 12.11 H new ATOM 0 HB2 MET A 41 4.398 19.613 4.863 1.00 72.32 H new ATOM 0 HB3 MET A 41 2.670 19.363 4.707 1.00 72.32 H new ATOM 0 HG2 MET A 41 3.043 21.277 6.124 1.00 44.43 H new ATOM 0 HG3 MET A 41 2.375 19.984 7.100 1.00 44.43 H new ATOM 0 HE1 MET A 41 5.177 22.264 9.088 1.00 12.42 H new ATOM 0 HE2 MET A 41 4.399 22.788 7.576 1.00 12.42 H new ATOM 0 HE3 MET A 41 3.422 22.061 8.874 1.00 12.42 H new ATOM 620 N ALA A 42 1.387 17.050 5.964 1.00 70.22 N ATOM 621 CA ALA A 42 0.153 16.611 6.606 1.00 24.34 C ATOM 622 C ALA A 42 0.336 15.253 7.276 1.00 43.31 C ATOM 623 O ALA A 42 -0.238 14.989 8.331 1.00 2.14 O ATOM 624 CB ALA A 42 -0.978 16.553 5.591 1.00 62.11 C ATOM 0 H ALA A 42 1.360 17.036 4.944 1.00 70.22 H new ATOM 0 HA ALA A 42 -0.104 17.336 7.378 1.00 24.34 H new ATOM 0 HB1 ALA A 42 -1.893 16.224 6.084 1.00 62.11 H new ATOM 0 HB2 ALA A 42 -1.133 17.543 5.162 1.00 62.11 H new ATOM 0 HB3 ALA A 42 -0.720 15.850 4.799 1.00 62.11 H new ATOM 630 N ASN A 43 1.139 14.396 6.655 1.00 21.12 N ATOM 631 CA ASN A 43 1.396 13.063 7.192 1.00 54.35 C ATOM 632 C ASN A 43 2.117 13.147 8.533 1.00 40.15 C ATOM 633 O ASN A 43 1.648 12.611 9.537 1.00 73.42 O ATOM 634 CB ASN A 43 2.227 12.245 6.202 1.00 43.52 C ATOM 635 CG ASN A 43 1.366 11.492 5.207 1.00 63.22 C ATOM 636 OD1 ASN A 43 0.199 11.206 5.471 1.00 31.54 O ATOM 637 ND2 ASN A 43 1.941 11.166 4.054 1.00 1.20 N ATOM 0 H ASN A 43 1.623 14.599 5.780 1.00 21.12 H new ATOM 0 HA ASN A 43 0.437 12.568 7.347 1.00 54.35 H new ATOM 0 HB2 ASN A 43 2.903 12.909 5.664 1.00 43.52 H new ATOM 0 HB3 ASN A 43 2.847 11.536 6.751 1.00 43.52 H new ATOM 0 HD21 ASN A 43 1.411 10.658 3.346 1.00 1.20 H new ATOM 0 HD22 ASN A 43 2.912 11.424 3.878 1.00 1.20 H new ATOM 644 N VAL A 44 3.262 13.824 8.542 1.00 32.35 N ATOM 645 CA VAL A 44 4.048 13.980 9.760 1.00 74.12 C ATOM 646 C VAL A 44 3.258 14.722 10.833 1.00 41.11 C ATOM 647 O VAL A 44 3.373 14.424 12.021 1.00 24.01 O ATOM 648 CB VAL A 44 5.361 14.738 9.488 1.00 74.54 C ATOM 649 CG1 VAL A 44 6.203 14.817 10.751 1.00 50.11 C ATOM 650 CG2 VAL A 44 6.135 14.073 8.360 1.00 23.42 C ATOM 0 H VAL A 44 3.665 14.273 7.720 1.00 32.35 H new ATOM 0 HA VAL A 44 4.284 12.977 10.115 1.00 74.12 H new ATOM 0 HB VAL A 44 5.117 15.755 9.180 1.00 74.54 H new ATOM 0 HG11 VAL A 44 7.127 15.356 10.539 1.00 50.11 H new ATOM 0 HG12 VAL A 44 5.646 15.342 11.527 1.00 50.11 H new ATOM 0 HG13 VAL A 44 6.441 13.810 11.093 1.00 50.11 H new ATOM 0 HG21 VAL A 44 7.060 14.621 8.181 1.00 23.42 H new ATOM 0 HG22 VAL A 44 6.370 13.045 8.637 1.00 23.42 H new ATOM 0 HG23 VAL A 44 5.530 14.075 7.453 1.00 23.42 H new ATOM 660 N SER A 45 2.455 15.691 10.405 1.00 40.33 N ATOM 661 CA SER A 45 1.648 16.480 11.328 1.00 60.13 C ATOM 662 C SER A 45 0.647 15.595 12.066 1.00 61.11 C ATOM 663 O SER A 45 0.222 15.911 13.178 1.00 3.15 O ATOM 664 CB SER A 45 0.908 17.587 10.575 1.00 24.31 C ATOM 665 OG SER A 45 0.296 18.494 11.475 1.00 2.01 O ATOM 0 H SER A 45 2.346 15.949 9.424 1.00 40.33 H new ATOM 0 HA SER A 45 2.316 16.933 12.060 1.00 60.13 H new ATOM 0 HB2 SER A 45 1.606 18.123 9.932 1.00 24.31 H new ATOM 0 HB3 SER A 45 0.151 17.147 9.926 1.00 24.31 H new ATOM 0 HG SER A 45 -0.169 19.193 10.969 1.00 2.01 H new ATOM 671 N THR A 46 0.275 14.484 11.440 1.00 72.15 N ATOM 672 CA THR A 46 -0.676 13.553 12.035 1.00 50.25 C ATOM 673 C THR A 46 0.042 12.420 12.758 1.00 42.41 C ATOM 674 O THR A 46 -0.493 11.321 12.898 1.00 14.10 O ATOM 675 CB THR A 46 -1.616 12.953 10.971 1.00 33.04 C ATOM 676 OG1 THR A 46 -0.869 12.138 10.062 1.00 63.13 O ATOM 677 CG2 THR A 46 -2.334 14.052 10.202 1.00 31.31 C ATOM 0 H THR A 46 0.618 14.206 10.520 1.00 72.15 H new ATOM 0 HA THR A 46 -1.267 14.122 12.753 1.00 50.25 H new ATOM 0 HB THR A 46 -2.361 12.341 11.479 1.00 33.04 H new ATOM 0 HG1 THR A 46 0.071 12.415 10.071 1.00 63.13 H new ATOM 0 HG21 THR A 46 -2.992 13.605 9.457 1.00 31.31 H new ATOM 0 HG22 THR A 46 -2.925 14.653 10.893 1.00 31.31 H new ATOM 0 HG23 THR A 46 -1.601 14.687 9.704 1.00 31.31 H new ATOM 685 N GLY A 47 1.260 12.695 13.217 1.00 63.00 N ATOM 686 CA GLY A 47 2.032 11.688 13.921 1.00 40.42 C ATOM 687 C GLY A 47 2.282 10.454 13.077 1.00 62.33 C ATOM 688 O GLY A 47 2.595 9.387 13.605 1.00 63.04 O ATOM 0 H GLY A 47 1.725 13.597 13.114 1.00 63.00 H new ATOM 0 HA2 GLY A 47 2.987 12.115 14.227 1.00 40.42 H new ATOM 0 HA3 GLY A 47 1.505 11.401 14.831 1.00 40.42 H new ATOM 692 N ARG A 48 2.143 10.599 11.763 1.00 63.30 N ATOM 693 CA ARG A 48 2.354 9.486 10.846 1.00 74.32 C ATOM 694 C ARG A 48 3.665 9.651 10.082 1.00 33.43 C ATOM 695 O ARG A 48 4.019 10.755 9.672 1.00 43.43 O ATOM 696 CB ARG A 48 1.188 9.383 9.860 1.00 32.32 C ATOM 697 CG ARG A 48 0.028 8.546 10.375 1.00 53.31 C ATOM 698 CD ARG A 48 -1.109 8.489 9.365 1.00 24.45 C ATOM 699 NE ARG A 48 -2.257 7.744 9.875 1.00 25.32 N ATOM 700 CZ ARG A 48 -3.224 7.265 9.102 1.00 35.13 C ATOM 701 NH1 ARG A 48 -3.183 7.452 7.791 1.00 54.34 N ATOM 702 NH2 ARG A 48 -4.236 6.597 9.640 1.00 31.12 N ATOM 0 H ARG A 48 1.885 11.476 11.310 1.00 63.30 H new ATOM 0 HA ARG A 48 2.408 8.569 11.433 1.00 74.32 H new ATOM 0 HB2 ARG A 48 0.828 10.386 9.630 1.00 32.32 H new ATOM 0 HB3 ARG A 48 1.550 8.952 8.926 1.00 32.32 H new ATOM 0 HG2 ARG A 48 0.375 7.536 10.592 1.00 53.31 H new ATOM 0 HG3 ARG A 48 -0.337 8.966 11.312 1.00 53.31 H new ATOM 0 HD2 ARG A 48 -1.419 9.503 9.110 1.00 24.45 H new ATOM 0 HD3 ARG A 48 -0.754 8.023 8.446 1.00 24.45 H new ATOM 0 HE ARG A 48 -2.319 7.583 10.880 1.00 25.32 H new ATOM 0 HH11 ARG A 48 -2.407 7.965 7.373 1.00 54.34 H new ATOM 0 HH12 ARG A 48 -3.928 7.083 7.200 1.00 54.34 H new ATOM 0 HH21 ARG A 48 -4.272 6.451 10.649 1.00 31.12 H new ATOM 0 HH22 ARG A 48 -4.978 6.230 9.045 1.00 31.12 H new ATOM 716 N GLU A 49 4.380 8.545 9.899 1.00 74.24 N ATOM 717 CA GLU A 49 5.652 8.569 9.187 1.00 20.31 C ATOM 718 C GLU A 49 5.505 9.255 7.832 1.00 75.32 C ATOM 719 O GLU A 49 4.407 9.391 7.292 1.00 31.31 O ATOM 720 CB GLU A 49 6.180 7.146 8.996 1.00 40.05 C ATOM 721 CG GLU A 49 7.273 6.764 9.980 1.00 0.21 C ATOM 722 CD GLU A 49 6.783 5.814 11.055 1.00 44.21 C ATOM 723 OE1 GLU A 49 7.087 6.056 12.242 1.00 31.51 O ATOM 724 OE2 GLU A 49 6.099 4.829 10.710 1.00 61.03 O ATOM 0 H GLU A 49 4.100 7.623 10.233 1.00 74.24 H new ATOM 0 HA GLU A 49 6.364 9.137 9.786 1.00 20.31 H new ATOM 0 HB2 GLU A 49 5.352 6.444 9.095 1.00 40.05 H new ATOM 0 HB3 GLU A 49 6.565 7.044 7.981 1.00 40.05 H new ATOM 0 HG2 GLU A 49 8.098 6.300 9.439 1.00 0.21 H new ATOM 0 HG3 GLU A 49 7.666 7.666 10.449 1.00 0.21 H new ATOM 731 N PRO A 50 6.637 9.699 7.268 1.00 44.43 N ATOM 732 CA PRO A 50 6.662 10.378 5.969 1.00 13.21 C ATOM 733 C PRO A 50 6.342 9.435 4.815 1.00 13.10 C ATOM 734 O PRO A 50 5.967 9.873 3.728 1.00 74.11 O ATOM 735 CB PRO A 50 8.102 10.886 5.861 1.00 23.51 C ATOM 736 CG PRO A 50 8.894 9.965 6.725 1.00 13.45 C ATOM 737 CD PRO A 50 7.983 9.571 7.854 1.00 31.31 C ATOM 0 HA PRO A 50 5.912 11.166 5.908 1.00 13.21 H new ATOM 0 HB2 PRO A 50 8.454 10.862 4.830 1.00 23.51 H new ATOM 0 HB3 PRO A 50 8.185 11.918 6.202 1.00 23.51 H new ATOM 0 HG2 PRO A 50 9.222 9.090 6.164 1.00 13.45 H new ATOM 0 HG3 PRO A 50 9.791 10.457 7.101 1.00 13.45 H new ATOM 0 HD2 PRO A 50 8.179 8.553 8.192 1.00 31.31 H new ATOM 0 HD3 PRO A 50 8.109 10.223 8.718 1.00 31.31 H new ATOM 745 N GLY A 51 6.492 8.137 5.058 1.00 33.24 N ATOM 746 CA GLY A 51 6.214 7.152 4.030 1.00 74.15 C ATOM 747 C GLY A 51 4.758 6.730 4.009 1.00 22.33 C ATOM 748 O GLY A 51 4.451 5.537 4.000 1.00 60.01 O ATOM 0 H GLY A 51 6.801 7.750 5.949 1.00 33.24 H new ATOM 0 HA2 GLY A 51 6.484 7.561 3.057 1.00 74.15 H new ATOM 0 HA3 GLY A 51 6.841 6.275 4.192 1.00 74.15 H new ATOM 752 N ASP A 52 3.860 7.708 4.004 1.00 15.42 N ATOM 753 CA ASP A 52 2.428 7.432 3.986 1.00 71.42 C ATOM 754 C ASP A 52 1.841 7.695 2.603 1.00 44.52 C ATOM 755 O ASP A 52 1.275 8.759 2.350 1.00 2.32 O ATOM 756 CB ASP A 52 1.709 8.287 5.029 1.00 0.34 C ATOM 757 CG ASP A 52 1.348 7.501 6.275 1.00 63.53 C ATOM 758 OD1 ASP A 52 2.257 7.222 7.085 1.00 45.25 O ATOM 759 OD2 ASP A 52 0.157 7.165 6.440 1.00 42.03 O ATOM 0 H ASP A 52 4.098 8.700 4.012 1.00 15.42 H new ATOM 0 HA ASP A 52 2.283 6.379 4.228 1.00 71.42 H new ATOM 0 HB2 ASP A 52 2.345 9.128 5.305 1.00 0.34 H new ATOM 0 HB3 ASP A 52 0.802 8.703 4.590 1.00 0.34 H new ATOM 764 N ILE A 53 1.983 6.720 1.710 1.00 32.35 N ATOM 765 CA ILE A 53 1.467 6.847 0.353 1.00 11.11 C ATOM 766 C ILE A 53 0.328 5.863 0.103 1.00 4.34 C ATOM 767 O ILE A 53 0.489 4.848 -0.574 1.00 71.02 O ATOM 768 CB ILE A 53 2.572 6.611 -0.693 1.00 53.41 C ATOM 769 CG1 ILE A 53 3.741 7.571 -0.457 1.00 23.53 C ATOM 770 CG2 ILE A 53 2.015 6.783 -2.098 1.00 64.04 C ATOM 771 CD1 ILE A 53 3.343 9.029 -0.495 1.00 45.23 C ATOM 0 H ILE A 53 2.451 5.834 1.902 1.00 32.35 H new ATOM 0 HA ILE A 53 1.093 7.866 0.252 1.00 11.11 H new ATOM 0 HB ILE A 53 2.938 5.590 -0.590 1.00 53.41 H new ATOM 0 HG12 ILE A 53 4.191 7.351 0.511 1.00 23.53 H new ATOM 0 HG13 ILE A 53 4.506 7.392 -1.213 1.00 23.53 H new ATOM 0 HG21 ILE A 53 2.807 6.613 -2.827 1.00 64.04 H new ATOM 0 HG22 ILE A 53 1.212 6.065 -2.261 1.00 64.04 H new ATOM 0 HG23 ILE A 53 1.626 7.795 -2.214 1.00 64.04 H new ATOM 0 HD11 ILE A 53 4.221 9.651 -0.320 1.00 45.23 H new ATOM 0 HD12 ILE A 53 2.920 9.265 -1.471 1.00 45.23 H new ATOM 0 HD13 ILE A 53 2.601 9.224 0.279 1.00 45.23 H new ATOM 783 N PRO A 54 -0.852 6.171 0.662 1.00 24.21 N ATOM 784 CA PRO A 54 -2.042 5.328 0.512 1.00 31.13 C ATOM 785 C PRO A 54 -2.596 5.355 -0.908 1.00 31.32 C ATOM 786 O PRO A 54 -2.002 5.952 -1.804 1.00 1.45 O ATOM 787 CB PRO A 54 -3.043 5.950 1.489 1.00 12.13 C ATOM 788 CG PRO A 54 -2.613 7.371 1.618 1.00 72.34 C ATOM 789 CD PRO A 54 -1.116 7.365 1.483 1.00 21.11 C ATOM 0 HA PRO A 54 -1.826 4.279 0.713 1.00 31.13 H new ATOM 0 HB2 PRO A 54 -4.063 5.878 1.111 1.00 12.13 H new ATOM 0 HB3 PRO A 54 -3.024 5.441 2.453 1.00 12.13 H new ATOM 0 HG2 PRO A 54 -3.072 7.989 0.846 1.00 72.34 H new ATOM 0 HG3 PRO A 54 -2.916 7.785 2.580 1.00 72.34 H new ATOM 0 HD2 PRO A 54 -0.752 8.272 1.001 1.00 21.11 H new ATOM 0 HD3 PRO A 54 -0.625 7.301 2.454 1.00 21.11 H new ATOM 797 N GLU A 55 -3.738 4.704 -1.105 1.00 35.31 N ATOM 798 CA GLU A 55 -4.372 4.654 -2.417 1.00 52.13 C ATOM 799 C GLU A 55 -5.855 4.316 -2.293 1.00 23.11 C ATOM 800 O GLU A 55 -6.393 3.535 -3.078 1.00 74.42 O ATOM 801 CB GLU A 55 -3.674 3.622 -3.305 1.00 54.34 C ATOM 802 CG GLU A 55 -3.641 4.007 -4.775 1.00 54.40 C ATOM 803 CD GLU A 55 -2.652 5.120 -5.064 1.00 30.45 C ATOM 804 OE1 GLU A 55 -1.432 4.859 -5.000 1.00 14.13 O ATOM 805 OE2 GLU A 55 -3.097 6.251 -5.352 1.00 43.24 O ATOM 0 H GLU A 55 -4.243 4.204 -0.373 1.00 35.31 H new ATOM 0 HA GLU A 55 -4.280 5.639 -2.875 1.00 52.13 H new ATOM 0 HB2 GLU A 55 -2.652 3.483 -2.952 1.00 54.34 H new ATOM 0 HB3 GLU A 55 -4.181 2.663 -3.201 1.00 54.34 H new ATOM 0 HG2 GLU A 55 -3.381 3.132 -5.370 1.00 54.40 H new ATOM 0 HG3 GLU A 55 -4.637 4.321 -5.087 1.00 54.40 H new ATOM 812 N THR A 56 -6.511 4.907 -1.299 1.00 2.52 N ATOM 813 CA THR A 56 -7.929 4.669 -1.070 1.00 73.12 C ATOM 814 C THR A 56 -8.622 5.924 -0.551 1.00 62.41 C ATOM 815 O THR A 56 -8.036 6.702 0.202 1.00 41.42 O ATOM 816 CB THR A 56 -8.151 3.522 -0.066 1.00 72.12 C ATOM 817 OG1 THR A 56 -7.815 3.956 1.256 1.00 1.22 O ATOM 818 CG2 THR A 56 -7.310 2.309 -0.436 1.00 61.34 C ATOM 0 H THR A 56 -6.081 5.555 -0.639 1.00 2.52 H new ATOM 0 HA THR A 56 -8.361 4.390 -2.031 1.00 73.12 H new ATOM 0 HB THR A 56 -9.203 3.239 -0.098 1.00 72.12 H new ATOM 0 HG1 THR A 56 -7.960 3.221 1.888 1.00 1.22 H new ATOM 0 HG21 THR A 56 -7.483 1.512 0.287 1.00 61.34 H new ATOM 0 HG22 THR A 56 -7.589 1.963 -1.431 1.00 61.34 H new ATOM 0 HG23 THR A 56 -6.255 2.582 -0.429 1.00 61.34 H new ATOM 826 N LEU A 57 -9.872 6.114 -0.957 1.00 11.32 N ATOM 827 CA LEU A 57 -10.646 7.275 -0.532 1.00 10.02 C ATOM 828 C LEU A 57 -10.739 7.341 0.989 1.00 14.22 C ATOM 829 O LEU A 57 -10.805 8.423 1.571 1.00 54.41 O ATOM 830 CB LEU A 57 -12.049 7.228 -1.138 1.00 54.23 C ATOM 831 CG LEU A 57 -12.659 8.576 -1.527 1.00 64.32 C ATOM 832 CD1 LEU A 57 -12.776 9.479 -0.310 1.00 53.55 C ATOM 833 CD2 LEU A 57 -11.827 9.243 -2.612 1.00 12.41 C ATOM 0 H LEU A 57 -10.371 5.479 -1.580 1.00 11.32 H new ATOM 0 HA LEU A 57 -10.134 8.170 -0.886 1.00 10.02 H new ATOM 0 HB2 LEU A 57 -12.018 6.596 -2.026 1.00 54.23 H new ATOM 0 HB3 LEU A 57 -12.715 6.743 -0.424 1.00 54.23 H new ATOM 0 HG LEU A 57 -13.660 8.401 -1.921 1.00 64.32 H new ATOM 0 HD11 LEU A 57 -13.212 10.433 -0.606 1.00 53.55 H new ATOM 0 HD12 LEU A 57 -13.414 9.004 0.435 1.00 53.55 H new ATOM 0 HD13 LEU A 57 -11.786 9.648 0.114 1.00 53.55 H new ATOM 0 HD21 LEU A 57 -12.275 10.201 -2.877 1.00 12.41 H new ATOM 0 HD22 LEU A 57 -10.814 9.406 -2.245 1.00 12.41 H new ATOM 0 HD23 LEU A 57 -11.796 8.601 -3.493 1.00 12.41 H new ATOM 845 N ASP A 58 -10.741 6.176 1.627 1.00 34.32 N ATOM 846 CA ASP A 58 -10.822 6.101 3.081 1.00 72.23 C ATOM 847 C ASP A 58 -9.533 6.602 3.724 1.00 25.21 C ATOM 848 O ASP A 58 -9.566 7.349 4.701 1.00 52.40 O ATOM 849 CB ASP A 58 -11.103 4.664 3.523 1.00 23.25 C ATOM 850 CG ASP A 58 -11.704 4.593 4.914 1.00 73.34 C ATOM 851 OD1 ASP A 58 -12.776 3.968 5.066 1.00 2.51 O ATOM 852 OD2 ASP A 58 -11.103 5.161 5.850 1.00 63.34 O ATOM 0 H ASP A 58 -10.687 5.271 1.160 1.00 34.32 H new ATOM 0 HA ASP A 58 -11.642 6.741 3.409 1.00 72.23 H new ATOM 0 HB2 ASP A 58 -11.783 4.195 2.812 1.00 23.25 H new ATOM 0 HB3 ASP A 58 -10.175 4.092 3.502 1.00 23.25 H new ATOM 857 N GLN A 59 -8.399 6.183 3.170 1.00 74.32 N ATOM 858 CA GLN A 59 -7.100 6.587 3.691 1.00 12.54 C ATOM 859 C GLN A 59 -6.943 8.104 3.644 1.00 40.34 C ATOM 860 O GLN A 59 -6.435 8.716 4.584 1.00 43.42 O ATOM 861 CB GLN A 59 -5.977 5.921 2.895 1.00 63.22 C ATOM 862 CG GLN A 59 -5.681 4.496 3.335 1.00 72.11 C ATOM 863 CD GLN A 59 -5.007 3.678 2.251 1.00 24.14 C ATOM 864 OE1 GLN A 59 -5.226 3.903 1.061 1.00 32.14 O ATOM 865 NE2 GLN A 59 -4.180 2.722 2.659 1.00 32.02 N ATOM 0 H GLN A 59 -8.355 5.564 2.361 1.00 74.32 H new ATOM 0 HA GLN A 59 -7.038 6.265 4.731 1.00 12.54 H new ATOM 0 HB2 GLN A 59 -6.245 5.918 1.838 1.00 63.22 H new ATOM 0 HB3 GLN A 59 -5.070 6.518 2.993 1.00 63.22 H new ATOM 0 HG2 GLN A 59 -5.043 4.518 4.218 1.00 72.11 H new ATOM 0 HG3 GLN A 59 -6.612 4.009 3.626 1.00 72.11 H new ATOM 0 HE21 GLN A 59 -4.028 2.570 3.656 1.00 32.02 H new ATOM 0 HE22 GLN A 59 -3.697 2.140 1.975 1.00 32.02 H new ATOM 874 N LEU A 60 -7.380 8.704 2.542 1.00 25.01 N ATOM 875 CA LEU A 60 -7.288 10.150 2.370 1.00 4.01 C ATOM 876 C LEU A 60 -8.214 10.874 3.342 1.00 64.54 C ATOM 877 O LEU A 60 -7.794 11.788 4.052 1.00 61.44 O ATOM 878 CB LEU A 60 -7.636 10.536 0.932 1.00 63.45 C ATOM 879 CG LEU A 60 -6.488 10.471 -0.077 1.00 75.12 C ATOM 880 CD1 LEU A 60 -5.456 11.548 0.220 1.00 53.14 C ATOM 881 CD2 LEU A 60 -5.843 9.093 -0.064 1.00 14.50 C ATOM 0 H LEU A 60 -7.801 8.212 1.754 1.00 25.01 H new ATOM 0 HA LEU A 60 -6.262 10.452 2.582 1.00 4.01 H new ATOM 0 HB2 LEU A 60 -8.436 9.882 0.585 1.00 63.45 H new ATOM 0 HB3 LEU A 60 -8.033 11.551 0.935 1.00 63.45 H new ATOM 0 HG LEU A 60 -6.894 10.650 -1.073 1.00 75.12 H new ATOM 0 HD11 LEU A 60 -4.647 11.487 -0.508 1.00 53.14 H new ATOM 0 HD12 LEU A 60 -5.926 12.529 0.158 1.00 53.14 H new ATOM 0 HD13 LEU A 60 -5.055 11.401 1.223 1.00 53.14 H new ATOM 0 HD21 LEU A 60 -5.029 9.066 -0.788 1.00 14.50 H new ATOM 0 HD22 LEU A 60 -5.451 8.884 0.931 1.00 14.50 H new ATOM 0 HD23 LEU A 60 -6.587 8.341 -0.326 1.00 14.50 H new ATOM 893 N ARG A 61 -9.477 10.458 3.369 1.00 25.21 N ATOM 894 CA ARG A 61 -10.463 11.066 4.254 1.00 43.22 C ATOM 895 C ARG A 61 -9.988 11.027 5.704 1.00 40.21 C ATOM 896 O ARG A 61 -10.340 11.893 6.507 1.00 2.11 O ATOM 897 CB ARG A 61 -11.806 10.346 4.126 1.00 21.24 C ATOM 898 CG ARG A 61 -12.826 10.770 5.171 1.00 65.52 C ATOM 899 CD ARG A 61 -12.778 9.867 6.394 1.00 44.41 C ATOM 900 NE ARG A 61 -13.852 8.878 6.386 1.00 33.52 N ATOM 901 CZ ARG A 61 -14.094 8.048 7.394 1.00 60.42 C ATOM 902 NH1 ARG A 61 -13.342 8.087 8.485 1.00 34.03 N ATOM 903 NH2 ARG A 61 -15.091 7.175 7.313 1.00 55.22 N ATOM 0 H ARG A 61 -9.841 9.703 2.788 1.00 25.21 H new ATOM 0 HA ARG A 61 -10.588 12.108 3.958 1.00 43.22 H new ATOM 0 HB2 ARG A 61 -12.216 10.533 3.133 1.00 21.24 H new ATOM 0 HB3 ARG A 61 -11.642 9.271 4.206 1.00 21.24 H new ATOM 0 HG2 ARG A 61 -12.635 11.801 5.470 1.00 65.52 H new ATOM 0 HG3 ARG A 61 -13.826 10.744 4.737 1.00 65.52 H new ATOM 0 HD2 ARG A 61 -11.816 9.357 6.430 1.00 44.41 H new ATOM 0 HD3 ARG A 61 -12.851 10.474 7.296 1.00 44.41 H new ATOM 0 HE ARG A 61 -14.449 8.821 5.561 1.00 33.52 H new ATOM 0 HH11 ARG A 61 -12.575 8.756 8.552 1.00 34.03 H new ATOM 0 HH12 ARG A 61 -13.531 7.448 9.257 1.00 34.03 H new ATOM 0 HH21 ARG A 61 -15.672 7.141 6.476 1.00 55.22 H new ATOM 0 HH22 ARG A 61 -15.275 6.538 8.088 1.00 55.22 H new ATOM 917 N LEU A 62 -9.188 10.019 6.033 1.00 61.34 N ATOM 918 CA LEU A 62 -8.666 9.866 7.386 1.00 13.31 C ATOM 919 C LEU A 62 -7.589 10.908 7.675 1.00 73.54 C ATOM 920 O LEU A 62 -7.738 11.739 8.570 1.00 24.40 O ATOM 921 CB LEU A 62 -8.096 8.460 7.579 1.00 72.31 C ATOM 922 CG LEU A 62 -8.246 7.861 8.978 1.00 55.51 C ATOM 923 CD1 LEU A 62 -7.491 8.697 10.000 1.00 20.13 C ATOM 924 CD2 LEU A 62 -9.716 7.752 9.356 1.00 1.03 C ATOM 0 H LEU A 62 -8.887 9.295 5.381 1.00 61.34 H new ATOM 0 HA LEU A 62 -9.489 10.016 8.085 1.00 13.31 H new ATOM 0 HB2 LEU A 62 -8.580 7.792 6.866 1.00 72.31 H new ATOM 0 HB3 LEU A 62 -7.036 8.482 7.327 1.00 72.31 H new ATOM 0 HG LEU A 62 -7.818 6.859 8.972 1.00 55.51 H new ATOM 0 HD11 LEU A 62 -7.609 8.256 10.990 1.00 20.13 H new ATOM 0 HD12 LEU A 62 -6.433 8.724 9.738 1.00 20.13 H new ATOM 0 HD13 LEU A 62 -7.889 9.712 10.005 1.00 20.13 H new ATOM 0 HD21 LEU A 62 -9.804 7.324 10.354 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -10.169 8.743 9.345 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -10.229 7.111 8.640 1.00 1.03 H new ATOM 936 N VAL A 63 -6.504 10.858 6.908 1.00 75.25 N ATOM 937 CA VAL A 63 -5.403 11.799 7.078 1.00 54.00 C ATOM 938 C VAL A 63 -5.899 13.239 7.021 1.00 2.24 C ATOM 939 O VAL A 63 -5.422 14.100 7.762 1.00 31.45 O ATOM 940 CB VAL A 63 -4.321 11.596 6.002 1.00 54.24 C ATOM 941 CG1 VAL A 63 -3.580 10.288 6.228 1.00 32.21 C ATOM 942 CG2 VAL A 63 -4.938 11.636 4.611 1.00 23.45 C ATOM 0 H VAL A 63 -6.364 10.176 6.163 1.00 75.25 H new ATOM 0 HA VAL A 63 -4.969 11.606 8.059 1.00 54.00 H new ATOM 0 HB VAL A 63 -3.601 12.411 6.079 1.00 54.24 H new ATOM 0 HG11 VAL A 63 -2.819 10.163 5.457 1.00 32.21 H new ATOM 0 HG12 VAL A 63 -3.104 10.304 7.208 1.00 32.21 H new ATOM 0 HG13 VAL A 63 -4.285 9.458 6.181 1.00 32.21 H new ATOM 0 HG21 VAL A 63 -4.159 11.491 3.863 1.00 23.45 H new ATOM 0 HG22 VAL A 63 -5.681 10.844 4.520 1.00 23.45 H new ATOM 0 HG23 VAL A 63 -5.417 12.602 4.453 1.00 23.45 H new ATOM 952 N ILE A 64 -6.857 13.496 6.138 1.00 23.41 N ATOM 953 CA ILE A 64 -7.418 14.832 5.986 1.00 54.40 C ATOM 954 C ILE A 64 -8.251 15.220 7.203 1.00 13.51 C ATOM 955 O ILE A 64 -8.242 16.376 7.631 1.00 74.32 O ATOM 956 CB ILE A 64 -8.294 14.936 4.724 1.00 73.33 C ATOM 957 CG1 ILE A 64 -7.470 14.610 3.477 1.00 71.51 C ATOM 958 CG2 ILE A 64 -8.904 16.326 4.613 1.00 25.44 C ATOM 959 CD1 ILE A 64 -8.307 14.157 2.301 1.00 10.20 C ATOM 0 H ILE A 64 -7.261 12.796 5.516 1.00 23.41 H new ATOM 0 HA ILE A 64 -6.576 15.518 5.891 1.00 54.40 H new ATOM 0 HB ILE A 64 -9.104 14.211 4.802 1.00 73.33 H new ATOM 0 HG12 ILE A 64 -6.899 15.492 3.188 1.00 71.51 H new ATOM 0 HG13 ILE A 64 -6.749 13.830 3.721 1.00 71.51 H new ATOM 0 HG21 ILE A 64 -9.520 16.382 3.716 1.00 25.44 H new ATOM 0 HG22 ILE A 64 -9.521 16.524 5.490 1.00 25.44 H new ATOM 0 HG23 ILE A 64 -8.108 17.069 4.554 1.00 25.44 H new ATOM 0 HD11 ILE A 64 -7.657 13.943 1.453 1.00 10.20 H new ATOM 0 HD12 ILE A 64 -8.858 13.256 2.572 1.00 10.20 H new ATOM 0 HD13 ILE A 64 -9.010 14.945 2.030 1.00 10.20 H new ATOM 971 N CYS A 65 -8.968 14.249 7.756 1.00 72.33 N ATOM 972 CA CYS A 65 -9.807 14.489 8.925 1.00 62.33 C ATOM 973 C CYS A 65 -8.965 14.929 10.118 1.00 42.43 C ATOM 974 O CYS A 65 -9.295 15.900 10.799 1.00 30.02 O ATOM 975 CB CYS A 65 -10.596 13.227 9.280 1.00 42.34 C ATOM 976 SG CYS A 65 -11.548 13.357 10.812 1.00 44.55 S ATOM 0 H CYS A 65 -8.986 13.288 7.414 1.00 72.33 H new ATOM 0 HA CYS A 65 -10.506 15.290 8.682 1.00 62.33 H new ATOM 0 HB2 CYS A 65 -11.276 12.995 8.461 1.00 42.34 H new ATOM 0 HB3 CYS A 65 -9.903 12.390 9.366 1.00 42.34 H new ATOM 0 HG CYS A 65 -12.182 12.242 11.025 1.00 44.55 H new ATOM 982 N ASP A 66 -7.876 14.208 10.365 1.00 14.21 N ATOM 983 CA ASP A 66 -6.986 14.524 11.476 1.00 21.21 C ATOM 984 C ASP A 66 -6.343 15.894 11.284 1.00 5.41 C ATOM 985 O ASP A 66 -6.300 16.707 12.208 1.00 12.34 O ATOM 986 CB ASP A 66 -5.903 13.453 11.610 1.00 32.45 C ATOM 987 CG ASP A 66 -6.452 12.137 12.128 1.00 2.12 C ATOM 988 OD1 ASP A 66 -7.272 11.515 11.419 1.00 11.30 O ATOM 989 OD2 ASP A 66 -6.061 11.729 13.241 1.00 31.44 O ATOM 0 H ASP A 66 -7.589 13.401 9.811 1.00 14.21 H new ATOM 0 HA ASP A 66 -7.579 14.546 12.390 1.00 21.21 H new ATOM 0 HB2 ASP A 66 -5.434 13.291 10.639 1.00 32.45 H new ATOM 0 HB3 ASP A 66 -5.125 13.810 12.285 1.00 32.45 H new ATOM 994 N LEU A 67 -5.840 16.142 10.079 1.00 15.22 N ATOM 995 CA LEU A 67 -5.198 17.414 9.766 1.00 61.02 C ATOM 996 C LEU A 67 -6.188 18.568 9.877 1.00 71.51 C ATOM 997 O LEU A 67 -5.821 19.678 10.260 1.00 11.03 O ATOM 998 CB LEU A 67 -4.602 17.372 8.357 1.00 1.34 C ATOM 999 CG LEU A 67 -3.901 18.647 7.887 1.00 11.44 C ATOM 1000 CD1 LEU A 67 -2.479 18.704 8.423 1.00 71.02 C ATOM 1001 CD2 LEU A 67 -3.905 18.730 6.368 1.00 71.30 C ATOM 0 H LEU A 67 -5.864 15.480 9.304 1.00 15.22 H new ATOM 0 HA LEU A 67 -4.399 17.577 10.489 1.00 61.02 H new ATOM 0 HB2 LEU A 67 -3.887 16.550 8.311 1.00 1.34 H new ATOM 0 HB3 LEU A 67 -5.401 17.140 7.653 1.00 1.34 H new ATOM 0 HG LEU A 67 -4.449 19.504 8.278 1.00 11.44 H new ATOM 0 HD11 LEU A 67 -1.996 19.618 8.078 1.00 71.02 H new ATOM 0 HD12 LEU A 67 -2.500 18.694 9.513 1.00 71.02 H new ATOM 0 HD13 LEU A 67 -1.920 17.840 8.063 1.00 71.02 H new ATOM 0 HD21 LEU A 67 -3.402 19.644 6.052 1.00 71.30 H new ATOM 0 HD22 LEU A 67 -3.383 17.867 5.955 1.00 71.30 H new ATOM 0 HD23 LEU A 67 -4.933 18.739 6.007 1.00 71.30 H new ATOM 1013 N GLN A 68 -7.446 18.295 9.543 1.00 54.34 N ATOM 1014 CA GLN A 68 -8.490 19.311 9.607 1.00 52.21 C ATOM 1015 C GLN A 68 -8.712 19.773 11.043 1.00 14.12 C ATOM 1016 O GLN A 68 -8.724 20.972 11.324 1.00 70.42 O ATOM 1017 CB GLN A 68 -9.796 18.768 9.026 1.00 74.41 C ATOM 1018 CG GLN A 68 -10.853 19.837 8.800 1.00 71.42 C ATOM 1019 CD GLN A 68 -11.707 20.082 10.028 1.00 12.25 C ATOM 1020 OE1 GLN A 68 -11.811 21.210 10.511 1.00 32.01 O ATOM 1021 NE2 GLN A 68 -12.324 19.024 10.542 1.00 10.24 N ATOM 0 H GLN A 68 -7.766 17.380 9.226 1.00 54.34 H new ATOM 0 HA GLN A 68 -8.166 20.167 9.015 1.00 52.21 H new ATOM 0 HB2 GLN A 68 -9.584 18.273 8.079 1.00 74.41 H new ATOM 0 HB3 GLN A 68 -10.196 18.010 9.700 1.00 74.41 H new ATOM 0 HG2 GLN A 68 -10.366 20.768 8.509 1.00 71.42 H new ATOM 0 HG3 GLN A 68 -11.494 19.539 7.970 1.00 71.42 H new ATOM 0 HE21 GLN A 68 -12.210 18.107 10.110 1.00 10.24 H new ATOM 0 HE22 GLN A 68 -12.912 19.128 11.369 1.00 10.24 H new ATOM 1030 N GLU A 69 -8.887 18.815 11.948 1.00 51.11 N ATOM 1031 CA GLU A 69 -9.109 19.126 13.355 1.00 35.33 C ATOM 1032 C GLU A 69 -7.953 19.944 13.921 1.00 74.30 C ATOM 1033 O GLU A 69 -8.163 20.971 14.568 1.00 74.22 O ATOM 1034 CB GLU A 69 -9.281 17.837 14.163 1.00 12.14 C ATOM 1035 CG GLU A 69 -10.674 17.239 14.067 1.00 73.14 C ATOM 1036 CD GLU A 69 -11.726 18.099 14.741 1.00 21.33 C ATOM 1037 OE1 GLU A 69 -12.909 18.002 14.353 1.00 74.22 O ATOM 1038 OE2 GLU A 69 -11.367 18.868 15.657 1.00 44.41 O ATOM 0 H GLU A 69 -8.879 17.818 11.732 1.00 51.11 H new ATOM 0 HA GLU A 69 -10.021 19.719 13.431 1.00 35.33 H new ATOM 0 HB2 GLU A 69 -8.555 17.102 13.817 1.00 12.14 H new ATOM 0 HB3 GLU A 69 -9.054 18.041 15.209 1.00 12.14 H new ATOM 0 HG2 GLU A 69 -10.937 17.106 13.018 1.00 73.14 H new ATOM 0 HG3 GLU A 69 -10.673 16.249 14.523 1.00 73.14 H new ATOM 1045 N ARG A 70 -6.732 19.481 13.674 1.00 11.31 N ATOM 1046 CA ARG A 70 -5.542 20.170 14.161 1.00 61.42 C ATOM 1047 C ARG A 70 -5.392 21.534 13.495 1.00 53.43 C ATOM 1048 O ARG A 70 -4.954 22.498 14.123 1.00 21.44 O ATOM 1049 CB ARG A 70 -4.295 19.322 13.900 1.00 43.22 C ATOM 1050 CG ARG A 70 -4.304 17.986 14.623 1.00 64.11 C ATOM 1051 CD ARG A 70 -2.892 17.476 14.868 1.00 33.24 C ATOM 1052 NE ARG A 70 -2.790 16.728 16.119 1.00 73.15 N ATOM 1053 CZ ARG A 70 -1.637 16.325 16.641 1.00 24.53 C ATOM 1054 NH1 ARG A 70 -0.495 16.596 16.025 1.00 33.33 N ATOM 1055 NH2 ARG A 70 -1.625 15.649 17.783 1.00 31.22 N ATOM 0 H ARG A 70 -6.541 18.633 13.140 1.00 11.31 H new ATOM 0 HA ARG A 70 -5.653 20.321 15.235 1.00 61.42 H new ATOM 0 HB2 ARG A 70 -4.205 19.145 12.828 1.00 43.22 H new ATOM 0 HB3 ARG A 70 -3.413 19.885 14.206 1.00 43.22 H new ATOM 0 HG2 ARG A 70 -4.825 18.090 15.575 1.00 64.11 H new ATOM 0 HG3 ARG A 70 -4.859 17.256 14.034 1.00 64.11 H new ATOM 0 HD2 ARG A 70 -2.588 16.838 14.038 1.00 33.24 H new ATOM 0 HD3 ARG A 70 -2.201 18.319 14.892 1.00 33.24 H new ATOM 0 HE ARG A 70 -3.651 16.503 16.618 1.00 73.15 H new ATOM 0 HH11 ARG A 70 -0.500 17.116 15.147 1.00 33.33 H new ATOM 0 HH12 ARG A 70 0.389 16.285 16.429 1.00 33.33 H new ATOM 0 HH21 ARG A 70 -2.502 15.439 18.260 1.00 31.22 H new ATOM 0 HH22 ARG A 70 -0.739 15.340 18.183 1.00 31.22 H new ATOM 1069 N ARG A 71 -5.757 21.608 12.219 1.00 61.51 N ATOM 1070 CA ARG A 71 -5.662 22.853 11.467 1.00 23.02 C ATOM 1071 C ARG A 71 -6.447 23.965 12.157 1.00 71.14 C ATOM 1072 O ARG A 71 -5.952 25.080 12.314 1.00 3.00 O ATOM 1073 CB ARG A 71 -6.182 22.654 10.042 1.00 35.11 C ATOM 1074 CG ARG A 71 -6.119 23.912 9.190 1.00 35.45 C ATOM 1075 CD ARG A 71 -7.496 24.309 8.681 1.00 31.04 C ATOM 1076 NE ARG A 71 -7.456 25.542 7.900 1.00 1.43 N ATOM 1077 CZ ARG A 71 -7.434 26.755 8.443 1.00 62.12 C ATOM 1078 NH1 ARG A 71 -7.448 26.896 9.761 1.00 44.41 N ATOM 1079 NH2 ARG A 71 -7.398 27.830 7.665 1.00 44.11 N ATOM 0 H ARG A 71 -6.121 20.820 11.684 1.00 61.51 H new ATOM 0 HA ARG A 71 -4.613 23.145 11.425 1.00 23.02 H new ATOM 0 HB2 ARG A 71 -5.601 21.868 9.559 1.00 35.11 H new ATOM 0 HB3 ARG A 71 -7.214 22.306 10.086 1.00 35.11 H new ATOM 0 HG2 ARG A 71 -5.697 24.729 9.776 1.00 35.45 H new ATOM 0 HG3 ARG A 71 -5.451 23.747 8.345 1.00 35.45 H new ATOM 0 HD2 ARG A 71 -7.902 23.504 8.068 1.00 31.04 H new ATOM 0 HD3 ARG A 71 -8.172 24.437 9.526 1.00 31.04 H new ATOM 0 HE ARG A 71 -7.444 25.469 6.883 1.00 1.43 H new ATOM 0 HH11 ARG A 71 -7.476 26.072 10.362 1.00 44.41 H new ATOM 0 HH12 ARG A 71 -7.431 27.828 10.174 1.00 44.41 H new ATOM 0 HH21 ARG A 71 -7.387 27.725 6.650 1.00 44.11 H new ATOM 0 HH22 ARG A 71 -7.381 28.761 8.082 1.00 44.11 H new ATOM 1093 N GLU A 72 -7.673 23.653 12.564 1.00 72.03 N ATOM 1094 CA GLU A 72 -8.526 24.627 13.234 1.00 12.42 C ATOM 1095 C GLU A 72 -7.953 25.005 14.597 1.00 65.40 C ATOM 1096 O GLU A 72 -7.764 26.182 14.900 1.00 12.35 O ATOM 1097 CB GLU A 72 -9.941 24.071 13.400 1.00 60.44 C ATOM 1098 CG GLU A 72 -11.024 25.134 13.334 1.00 75.50 C ATOM 1099 CD GLU A 72 -11.236 25.834 14.662 1.00 30.25 C ATOM 1100 OE1 GLU A 72 -11.890 26.899 14.673 1.00 44.23 O ATOM 1101 OE2 GLU A 72 -10.749 25.319 15.689 1.00 31.05 O ATOM 0 H GLU A 72 -8.098 22.734 12.442 1.00 72.03 H new ATOM 0 HA GLU A 72 -8.566 25.523 12.615 1.00 12.42 H new ATOM 0 HB2 GLU A 72 -10.124 23.329 12.623 1.00 60.44 H new ATOM 0 HB3 GLU A 72 -10.009 23.554 14.357 1.00 60.44 H new ATOM 0 HG2 GLU A 72 -10.758 25.872 12.577 1.00 75.50 H new ATOM 0 HG3 GLU A 72 -11.960 24.675 13.016 1.00 75.50 H new ATOM 1108 N LYS A 73 -7.678 23.995 15.417 1.00 55.32 N ATOM 1109 CA LYS A 73 -7.126 24.218 16.748 1.00 33.13 C ATOM 1110 C LYS A 73 -5.819 25.001 16.671 1.00 33.43 C ATOM 1111 O LYS A 73 -5.443 25.694 17.617 1.00 21.03 O ATOM 1112 CB LYS A 73 -6.892 22.881 17.456 1.00 11.32 C ATOM 1113 CG LYS A 73 -7.705 22.715 18.728 1.00 14.23 C ATOM 1114 CD LYS A 73 -7.628 21.294 19.258 1.00 50.52 C ATOM 1115 CE LYS A 73 -7.841 21.248 20.763 1.00 11.31 C ATOM 1116 NZ LYS A 73 -9.190 20.727 21.116 1.00 32.44 N ATOM 0 H LYS A 73 -7.829 23.014 15.182 1.00 55.32 H new ATOM 0 HA LYS A 73 -7.846 24.803 17.320 1.00 33.13 H new ATOM 0 HB2 LYS A 73 -7.136 22.069 16.771 1.00 11.32 H new ATOM 0 HB3 LYS A 73 -5.833 22.788 17.697 1.00 11.32 H new ATOM 0 HG2 LYS A 73 -7.340 23.407 19.487 1.00 14.23 H new ATOM 0 HG3 LYS A 73 -8.745 22.975 18.532 1.00 14.23 H new ATOM 0 HD2 LYS A 73 -8.380 20.679 18.764 1.00 50.52 H new ATOM 0 HD3 LYS A 73 -6.656 20.866 19.014 1.00 50.52 H new ATOM 0 HE2 LYS A 73 -7.077 20.618 21.219 1.00 11.31 H new ATOM 0 HE3 LYS A 73 -7.718 22.248 21.178 1.00 11.31 H new ATOM 0 HZ1 LYS A 73 -9.296 20.711 22.150 1.00 32.44 H new ATOM 0 HZ2 LYS A 73 -9.919 21.343 20.702 1.00 32.44 H new ATOM 0 HZ3 LYS A 73 -9.298 19.763 20.742 1.00 32.44 H new ATOM 1130 N PHE A 74 -5.133 24.888 15.539 1.00 34.13 N ATOM 1131 CA PHE A 74 -3.869 25.585 15.339 1.00 50.40 C ATOM 1132 C PHE A 74 -4.100 26.968 14.737 1.00 10.42 C ATOM 1133 O PHE A 74 -3.296 27.880 14.921 1.00 3.31 O ATOM 1134 CB PHE A 74 -2.950 24.769 14.429 1.00 65.22 C ATOM 1135 CG PHE A 74 -2.152 23.728 15.161 1.00 21.44 C ATOM 1136 CD1 PHE A 74 -2.776 22.829 16.011 1.00 75.41 C ATOM 1137 CD2 PHE A 74 -0.778 23.648 15.002 1.00 63.23 C ATOM 1138 CE1 PHE A 74 -2.046 21.869 16.686 1.00 24.12 C ATOM 1139 CE2 PHE A 74 -0.043 22.690 15.674 1.00 44.33 C ATOM 1140 CZ PHE A 74 -0.676 21.801 16.518 1.00 34.43 C ATOM 0 H PHE A 74 -5.432 24.320 14.746 1.00 34.13 H new ATOM 0 HA PHE A 74 -3.392 25.705 16.312 1.00 50.40 H new ATOM 0 HB2 PHE A 74 -3.551 24.281 13.662 1.00 65.22 H new ATOM 0 HB3 PHE A 74 -2.266 25.445 13.916 1.00 65.22 H new ATOM 0 HD1 PHE A 74 -3.846 22.879 16.148 1.00 75.41 H new ATOM 0 HD2 PHE A 74 -0.275 24.343 14.345 1.00 63.23 H new ATOM 0 HE1 PHE A 74 -2.545 21.173 17.344 1.00 24.12 H new ATOM 0 HE2 PHE A 74 1.027 22.637 15.538 1.00 44.33 H new ATOM 0 HZ PHE A 74 -0.102 21.054 17.046 1.00 34.43 H new ATOM 1150 N GLY A 75 -5.207 27.115 14.015 1.00 51.53 N ATOM 1151 CA GLY A 75 -5.525 28.389 13.396 1.00 31.11 C ATOM 1152 C GLY A 75 -5.340 28.365 11.892 1.00 75.31 C ATOM 1153 O GLY A 75 -5.076 27.313 11.308 1.00 25.23 O ATOM 0 H GLY A 75 -5.889 26.375 13.848 1.00 51.53 H new ATOM 0 HA2 GLY A 75 -6.556 28.655 13.628 1.00 31.11 H new ATOM 0 HA3 GLY A 75 -4.892 29.166 13.825 1.00 31.11 H new ATOM 1157 N SER A 76 -5.483 29.525 11.260 1.00 41.31 N ATOM 1158 CA SER A 76 -5.336 29.632 9.814 1.00 50.34 C ATOM 1159 C SER A 76 -3.863 29.684 9.419 1.00 40.41 C ATOM 1160 O SER A 76 -3.088 30.464 9.973 1.00 33.43 O ATOM 1161 CB SER A 76 -6.058 30.878 9.297 1.00 1.01 C ATOM 1162 OG SER A 76 -7.462 30.683 9.280 1.00 12.32 O ATOM 0 H SER A 76 -5.701 30.405 11.728 1.00 41.31 H new ATOM 0 HA SER A 76 -5.784 28.747 9.362 1.00 50.34 H new ATOM 0 HB2 SER A 76 -5.814 31.732 9.929 1.00 1.01 H new ATOM 0 HB3 SER A 76 -5.708 31.114 8.292 1.00 1.01 H new ATOM 0 HG SER A 76 -7.901 31.494 8.947 1.00 12.32 H new ATOM 1168 N SER A 77 -3.485 28.848 8.458 1.00 23.12 N ATOM 1169 CA SER A 77 -2.103 28.795 7.992 1.00 74.45 C ATOM 1170 C SER A 77 -2.036 28.286 6.554 1.00 24.23 C ATOM 1171 O SER A 77 -2.595 27.239 6.227 1.00 64.22 O ATOM 1172 CB SER A 77 -1.269 27.894 8.904 1.00 63.44 C ATOM 1173 OG SER A 77 -0.348 27.121 8.154 1.00 53.12 O ATOM 0 H SER A 77 -4.115 28.198 7.987 1.00 23.12 H new ATOM 0 HA SER A 77 -1.695 29.805 8.022 1.00 74.45 H new ATOM 0 HB2 SER A 77 -0.731 28.504 9.629 1.00 63.44 H new ATOM 0 HB3 SER A 77 -1.927 27.234 9.469 1.00 63.44 H new ATOM 0 HG SER A 77 0.259 26.652 8.764 1.00 53.12 H new ATOM 1179 N LYS A 78 -1.345 29.034 5.702 1.00 73.25 N ATOM 1180 CA LYS A 78 -1.201 28.661 4.299 1.00 41.21 C ATOM 1181 C LYS A 78 -0.568 27.279 4.166 1.00 35.35 C ATOM 1182 O LYS A 78 -0.773 26.587 3.170 1.00 21.21 O ATOM 1183 CB LYS A 78 -0.351 29.696 3.560 1.00 43.34 C ATOM 1184 CG LYS A 78 1.055 29.841 4.119 1.00 14.01 C ATOM 1185 CD LYS A 78 1.702 31.140 3.671 1.00 52.12 C ATOM 1186 CE LYS A 78 2.165 31.971 4.857 1.00 21.41 C ATOM 1187 NZ LYS A 78 3.425 32.707 4.561 1.00 50.31 N ATOM 0 H LYS A 78 -0.875 29.903 5.958 1.00 73.25 H new ATOM 0 HA LYS A 78 -2.195 28.631 3.853 1.00 41.21 H new ATOM 0 HB2 LYS A 78 -0.288 29.417 2.508 1.00 43.34 H new ATOM 0 HB3 LYS A 78 -0.852 30.663 3.604 1.00 43.34 H new ATOM 0 HG2 LYS A 78 1.020 29.808 5.208 1.00 14.01 H new ATOM 0 HG3 LYS A 78 1.665 28.998 3.794 1.00 14.01 H new ATOM 0 HD2 LYS A 78 2.552 30.920 3.026 1.00 52.12 H new ATOM 0 HD3 LYS A 78 0.992 31.716 3.077 1.00 52.12 H new ATOM 0 HE2 LYS A 78 1.385 32.682 5.129 1.00 21.41 H new ATOM 0 HE3 LYS A 78 2.318 31.321 5.718 1.00 21.41 H new ATOM 0 HZ1 LYS A 78 3.707 33.261 5.394 1.00 50.31 H new ATOM 0 HZ2 LYS A 78 4.177 32.028 4.326 1.00 50.31 H new ATOM 0 HZ3 LYS A 78 3.272 33.347 3.755 1.00 50.31 H new ATOM 1201 N GLU A 79 0.199 26.884 5.178 1.00 12.11 N ATOM 1202 CA GLU A 79 0.861 25.585 5.172 1.00 15.14 C ATOM 1203 C GLU A 79 -0.149 24.460 5.387 1.00 54.13 C ATOM 1204 O GLU A 79 -0.357 23.624 4.508 1.00 61.42 O ATOM 1205 CB GLU A 79 1.937 25.532 6.258 1.00 44.12 C ATOM 1206 CG GLU A 79 3.233 26.219 5.862 1.00 4.13 C ATOM 1207 CD GLU A 79 3.652 27.289 6.852 1.00 63.35 C ATOM 1208 OE1 GLU A 79 4.192 26.930 7.919 1.00 2.22 O ATOM 1209 OE2 GLU A 79 3.440 28.484 6.560 1.00 71.43 O ATOM 0 H GLU A 79 0.377 27.445 6.011 1.00 12.11 H new ATOM 0 HA GLU A 79 1.331 25.449 4.198 1.00 15.14 H new ATOM 0 HB2 GLU A 79 1.550 25.998 7.164 1.00 44.12 H new ATOM 0 HB3 GLU A 79 2.147 24.490 6.500 1.00 44.12 H new ATOM 0 HG2 GLU A 79 4.025 25.474 5.781 1.00 4.13 H new ATOM 0 HG3 GLU A 79 3.115 26.668 4.876 1.00 4.13 H new ATOM 1216 N ILE A 80 -0.772 24.448 6.561 1.00 65.12 N ATOM 1217 CA ILE A 80 -1.758 23.427 6.891 1.00 55.03 C ATOM 1218 C ILE A 80 -2.956 23.496 5.949 1.00 33.02 C ATOM 1219 O ILE A 80 -3.611 22.488 5.686 1.00 65.31 O ATOM 1220 CB ILE A 80 -2.253 23.570 8.342 1.00 45.32 C ATOM 1221 CG1 ILE A 80 -1.065 23.618 9.305 1.00 22.33 C ATOM 1222 CG2 ILE A 80 -3.186 22.422 8.699 1.00 10.25 C ATOM 1223 CD1 ILE A 80 -1.468 23.784 10.754 1.00 52.11 C ATOM 0 H ILE A 80 -0.611 25.134 7.299 1.00 65.12 H new ATOM 0 HA ILE A 80 -1.263 22.462 6.778 1.00 55.03 H new ATOM 0 HB ILE A 80 -2.808 24.504 8.432 1.00 45.32 H new ATOM 0 HG12 ILE A 80 -0.485 22.701 9.200 1.00 22.33 H new ATOM 0 HG13 ILE A 80 -0.411 24.443 9.021 1.00 22.33 H new ATOM 0 HG21 ILE A 80 -3.527 22.537 9.728 1.00 10.25 H new ATOM 0 HG22 ILE A 80 -4.045 22.430 8.028 1.00 10.25 H new ATOM 0 HG23 ILE A 80 -2.654 21.476 8.597 1.00 10.25 H new ATOM 0 HD11 ILE A 80 -0.576 23.810 11.379 1.00 52.11 H new ATOM 0 HD12 ILE A 80 -2.022 24.715 10.873 1.00 52.11 H new ATOM 0 HD13 ILE A 80 -2.097 22.947 11.055 1.00 52.11 H new ATOM 1235 N ASP A 81 -3.236 24.692 5.443 1.00 15.51 N ATOM 1236 CA ASP A 81 -4.353 24.893 4.527 1.00 3.45 C ATOM 1237 C ASP A 81 -4.076 24.238 3.179 1.00 65.44 C ATOM 1238 O ASP A 81 -4.956 23.614 2.587 1.00 21.33 O ATOM 1239 CB ASP A 81 -4.621 26.387 4.337 1.00 72.22 C ATOM 1240 CG ASP A 81 -5.749 26.652 3.359 1.00 75.31 C ATOM 1241 OD1 ASP A 81 -6.872 26.952 3.815 1.00 32.33 O ATOM 1242 OD2 ASP A 81 -5.508 26.560 2.137 1.00 54.20 O ATOM 0 H ASP A 81 -2.705 25.537 5.652 1.00 15.51 H new ATOM 0 HA ASP A 81 -5.236 24.425 4.962 1.00 3.45 H new ATOM 0 HB2 ASP A 81 -4.866 26.835 5.300 1.00 72.22 H new ATOM 0 HB3 ASP A 81 -3.713 26.874 3.981 1.00 72.22 H new ATOM 1247 N MET A 82 -2.845 24.383 2.698 1.00 45.14 N ATOM 1248 CA MET A 82 -2.451 23.804 1.418 1.00 23.32 C ATOM 1249 C MET A 82 -2.396 22.281 1.505 1.00 52.44 C ATOM 1250 O MET A 82 -2.739 21.584 0.552 1.00 54.45 O ATOM 1251 CB MET A 82 -1.091 24.351 0.983 1.00 14.55 C ATOM 1252 CG MET A 82 -1.176 25.686 0.262 1.00 40.45 C ATOM 1253 SD MET A 82 0.447 26.389 -0.093 1.00 75.44 S ATOM 1254 CE MET A 82 0.003 28.073 -0.512 1.00 73.42 C ATOM 0 H MET A 82 -2.104 24.896 3.175 1.00 45.14 H new ATOM 0 HA MET A 82 -3.200 24.082 0.676 1.00 23.32 H new ATOM 0 HB2 MET A 82 -0.455 24.462 1.861 1.00 14.55 H new ATOM 0 HB3 MET A 82 -0.608 23.624 0.329 1.00 14.55 H new ATOM 0 HG2 MET A 82 -1.723 25.556 -0.672 1.00 40.45 H new ATOM 0 HG3 MET A 82 -1.746 26.388 0.871 1.00 40.45 H new ATOM 0 HE1 MET A 82 0.903 28.637 -0.757 1.00 73.42 H new ATOM 0 HE2 MET A 82 -0.668 28.069 -1.371 1.00 73.42 H new ATOM 0 HE3 MET A 82 -0.497 28.539 0.337 1.00 73.42 H new ATOM 1264 N ALA A 83 -1.960 21.774 2.653 1.00 31.33 N ATOM 1265 CA ALA A 83 -1.862 20.335 2.863 1.00 32.13 C ATOM 1266 C ALA A 83 -3.232 19.672 2.771 1.00 21.30 C ATOM 1267 O ALA A 83 -3.436 18.757 1.970 1.00 12.43 O ATOM 1268 CB ALA A 83 -1.221 20.041 4.212 1.00 53.01 C ATOM 0 H ALA A 83 -1.669 22.338 3.452 1.00 31.33 H new ATOM 0 HA ALA A 83 -1.233 19.920 2.076 1.00 32.13 H new ATOM 0 HB1 ALA A 83 -1.154 18.963 4.356 1.00 53.01 H new ATOM 0 HB2 ALA A 83 -0.221 20.474 4.242 1.00 53.01 H new ATOM 0 HB3 ALA A 83 -1.828 20.476 5.006 1.00 53.01 H new ATOM 1274 N ILE A 84 -4.166 20.136 3.594 1.00 61.02 N ATOM 1275 CA ILE A 84 -5.516 19.587 3.604 1.00 74.14 C ATOM 1276 C ILE A 84 -6.158 19.681 2.223 1.00 34.11 C ATOM 1277 O ILE A 84 -6.802 18.740 1.760 1.00 53.00 O ATOM 1278 CB ILE A 84 -6.412 20.313 4.624 1.00 33.21 C ATOM 1279 CG1 ILE A 84 -7.841 19.771 4.557 1.00 20.34 C ATOM 1280 CG2 ILE A 84 -6.396 21.813 4.370 1.00 21.04 C ATOM 1281 CD1 ILE A 84 -8.381 19.325 5.899 1.00 44.13 C ATOM 0 H ILE A 84 -4.013 20.891 4.263 1.00 61.02 H new ATOM 0 HA ILE A 84 -5.428 18.539 3.891 1.00 74.14 H new ATOM 0 HB ILE A 84 -6.021 20.130 5.625 1.00 33.21 H new ATOM 0 HG12 ILE A 84 -8.495 20.542 4.149 1.00 20.34 H new ATOM 0 HG13 ILE A 84 -7.870 18.930 3.865 1.00 20.34 H new ATOM 0 HG21 ILE A 84 -7.034 22.312 5.099 1.00 21.04 H new ATOM 0 HG22 ILE A 84 -5.376 22.187 4.464 1.00 21.04 H new ATOM 0 HG23 ILE A 84 -6.766 22.016 3.365 1.00 21.04 H new ATOM 0 HD11 ILE A 84 -9.398 18.953 5.776 1.00 44.13 H new ATOM 0 HD12 ILE A 84 -7.750 18.532 6.300 1.00 44.13 H new ATOM 0 HD13 ILE A 84 -8.384 20.169 6.589 1.00 44.13 H new ATOM 1293 N VAL A 85 -5.975 20.824 1.569 1.00 53.44 N ATOM 1294 CA VAL A 85 -6.534 21.041 0.239 1.00 61.10 C ATOM 1295 C VAL A 85 -5.891 20.113 -0.785 1.00 13.20 C ATOM 1296 O VAL A 85 -6.494 19.786 -1.808 1.00 33.50 O ATOM 1297 CB VAL A 85 -6.346 22.500 -0.217 1.00 43.33 C ATOM 1298 CG1 VAL A 85 -6.780 22.668 -1.665 1.00 64.22 C ATOM 1299 CG2 VAL A 85 -7.115 23.446 0.691 1.00 22.14 C ATOM 0 H VAL A 85 -5.445 21.613 1.938 1.00 53.44 H new ATOM 0 HA VAL A 85 -7.600 20.823 0.304 1.00 61.10 H new ATOM 0 HB VAL A 85 -5.287 22.749 -0.149 1.00 43.33 H new ATOM 0 HG11 VAL A 85 -6.640 23.705 -1.969 1.00 64.22 H new ATOM 0 HG12 VAL A 85 -6.180 22.019 -2.302 1.00 64.22 H new ATOM 0 HG13 VAL A 85 -7.832 22.400 -1.763 1.00 64.22 H new ATOM 0 HG21 VAL A 85 -6.970 24.472 0.353 1.00 22.14 H new ATOM 0 HG22 VAL A 85 -8.176 23.199 0.658 1.00 22.14 H new ATOM 0 HG23 VAL A 85 -6.751 23.346 1.713 1.00 22.14 H new ATOM 1309 N THR A 86 -4.663 19.690 -0.504 1.00 45.41 N ATOM 1310 CA THR A 86 -3.937 18.799 -1.401 1.00 22.14 C ATOM 1311 C THR A 86 -4.486 17.379 -1.327 1.00 24.31 C ATOM 1312 O THR A 86 -4.899 16.809 -2.337 1.00 60.53 O ATOM 1313 CB THR A 86 -2.433 18.775 -1.072 1.00 71.13 C ATOM 1314 OG1 THR A 86 -1.838 20.034 -1.405 1.00 61.40 O ATOM 1315 CG2 THR A 86 -1.731 17.659 -1.832 1.00 60.14 C ATOM 0 H THR A 86 -4.150 19.950 0.338 1.00 45.41 H new ATOM 0 HA THR A 86 -4.074 19.186 -2.411 1.00 22.14 H new ATOM 0 HB THR A 86 -2.320 18.592 -0.003 1.00 71.13 H new ATOM 0 HG1 THR A 86 -1.797 20.129 -2.380 1.00 61.40 H new ATOM 0 HG21 THR A 86 -0.670 17.661 -1.584 1.00 60.14 H new ATOM 0 HG22 THR A 86 -2.167 16.699 -1.554 1.00 60.14 H new ATOM 0 HG23 THR A 86 -1.853 17.816 -2.904 1.00 60.14 H new ATOM 1323 N LEU A 87 -4.487 16.812 -0.125 1.00 1.10 N ATOM 1324 CA LEU A 87 -4.986 15.457 0.081 1.00 43.35 C ATOM 1325 C LEU A 87 -6.433 15.332 -0.385 1.00 1.20 C ATOM 1326 O LEU A 87 -6.862 14.271 -0.836 1.00 73.43 O ATOM 1327 CB LEU A 87 -4.878 15.071 1.557 1.00 13.21 C ATOM 1328 CG LEU A 87 -3.477 14.721 2.059 1.00 61.22 C ATOM 1329 CD1 LEU A 87 -3.359 14.999 3.549 1.00 64.53 C ATOM 1330 CD2 LEU A 87 -3.152 13.264 1.758 1.00 10.43 C ATOM 0 H LEU A 87 -4.148 17.270 0.721 1.00 1.10 H new ATOM 0 HA LEU A 87 -4.373 14.777 -0.511 1.00 43.35 H new ATOM 0 HB2 LEU A 87 -5.261 15.897 2.157 1.00 13.21 H new ATOM 0 HB3 LEU A 87 -5.531 14.217 1.737 1.00 13.21 H new ATOM 0 HG LEU A 87 -2.756 15.349 1.536 1.00 61.22 H new ATOM 0 HD11 LEU A 87 -2.355 14.744 3.888 1.00 64.53 H new ATOM 0 HD12 LEU A 87 -3.548 16.056 3.738 1.00 64.53 H new ATOM 0 HD13 LEU A 87 -4.089 14.397 4.090 1.00 64.53 H new ATOM 0 HD21 LEU A 87 -2.151 13.032 2.122 1.00 10.43 H new ATOM 0 HD22 LEU A 87 -3.877 12.619 2.254 1.00 10.43 H new ATOM 0 HD23 LEU A 87 -3.195 13.097 0.682 1.00 10.43 H new ATOM 1342 N LYS A 88 -7.181 16.425 -0.274 1.00 3.34 N ATOM 1343 CA LYS A 88 -8.579 16.441 -0.687 1.00 13.15 C ATOM 1344 C LYS A 88 -8.697 16.466 -2.207 1.00 60.30 C ATOM 1345 O LYS A 88 -9.180 15.511 -2.817 1.00 42.32 O ATOM 1346 CB LYS A 88 -9.294 17.655 -0.089 1.00 13.22 C ATOM 1347 CG LYS A 88 -9.741 17.451 1.348 1.00 30.20 C ATOM 1348 CD LYS A 88 -10.546 18.636 1.855 1.00 32.32 C ATOM 1349 CE LYS A 88 -11.101 18.378 3.248 1.00 74.34 C ATOM 1350 NZ LYS A 88 -12.271 19.248 3.549 1.00 12.45 N ATOM 0 H LYS A 88 -6.842 17.312 0.099 1.00 3.34 H new ATOM 0 HA LYS A 88 -9.052 15.530 -0.319 1.00 13.15 H new ATOM 0 HB2 LYS A 88 -8.628 18.517 -0.135 1.00 13.22 H new ATOM 0 HB3 LYS A 88 -10.164 17.892 -0.701 1.00 13.22 H new ATOM 0 HG2 LYS A 88 -10.343 16.545 1.418 1.00 30.20 H new ATOM 0 HG3 LYS A 88 -8.868 17.304 1.984 1.00 30.20 H new ATOM 0 HD2 LYS A 88 -9.915 19.525 1.872 1.00 32.32 H new ATOM 0 HD3 LYS A 88 -11.367 18.841 1.167 1.00 32.32 H new ATOM 0 HE2 LYS A 88 -11.395 17.332 3.334 1.00 74.34 H new ATOM 0 HE3 LYS A 88 -10.320 18.551 3.988 1.00 74.34 H new ATOM 0 HZ1 LYS A 88 -12.935 18.736 4.164 1.00 12.45 H new ATOM 0 HZ2 LYS A 88 -11.947 20.111 4.031 1.00 12.45 H new ATOM 0 HZ3 LYS A 88 -12.749 19.506 2.662 1.00 12.45 H new ATOM 1364 N VAL A 89 -8.254 17.563 -2.813 1.00 61.24 N ATOM 1365 CA VAL A 89 -8.308 17.710 -4.263 1.00 24.51 C ATOM 1366 C VAL A 89 -7.651 16.524 -4.961 1.00 5.45 C ATOM 1367 O VAL A 89 -8.034 16.152 -6.069 1.00 61.02 O ATOM 1368 CB VAL A 89 -7.618 19.008 -4.721 1.00 61.35 C ATOM 1369 CG1 VAL A 89 -6.111 18.908 -4.534 1.00 34.44 C ATOM 1370 CG2 VAL A 89 -7.965 19.312 -6.171 1.00 41.14 C ATOM 0 H VAL A 89 -7.854 18.363 -2.323 1.00 61.24 H new ATOM 0 HA VAL A 89 -9.362 17.751 -4.538 1.00 24.51 H new ATOM 0 HB VAL A 89 -7.982 19.829 -4.104 1.00 61.35 H new ATOM 0 HG11 VAL A 89 -5.641 19.835 -4.863 1.00 34.44 H new ATOM 0 HG12 VAL A 89 -5.885 18.741 -3.481 1.00 34.44 H new ATOM 0 HG13 VAL A 89 -5.726 18.076 -5.124 1.00 34.44 H new ATOM 0 HG21 VAL A 89 -7.469 20.233 -6.478 1.00 41.14 H new ATOM 0 HG22 VAL A 89 -7.631 18.491 -6.805 1.00 41.14 H new ATOM 0 HG23 VAL A 89 -9.044 19.431 -6.270 1.00 41.14 H new ATOM 1380 N PHE A 90 -6.658 15.935 -4.303 1.00 63.30 N ATOM 1381 CA PHE A 90 -5.945 14.790 -4.861 1.00 23.04 C ATOM 1382 C PHE A 90 -6.730 13.500 -4.640 1.00 15.33 C ATOM 1383 O PHE A 90 -6.645 12.565 -5.435 1.00 51.24 O ATOM 1384 CB PHE A 90 -4.556 14.670 -4.229 1.00 33.44 C ATOM 1385 CG PHE A 90 -3.802 13.449 -4.670 1.00 23.22 C ATOM 1386 CD1 PHE A 90 -3.850 12.282 -3.925 1.00 64.42 C ATOM 1387 CD2 PHE A 90 -3.043 13.468 -5.828 1.00 54.43 C ATOM 1388 CE1 PHE A 90 -3.156 11.156 -4.328 1.00 64.42 C ATOM 1389 CE2 PHE A 90 -2.347 12.347 -6.238 1.00 31.42 C ATOM 1390 CZ PHE A 90 -2.403 11.189 -5.486 1.00 4.43 C ATOM 0 H PHE A 90 -6.329 16.231 -3.384 1.00 63.30 H new ATOM 0 HA PHE A 90 -5.836 14.949 -5.934 1.00 23.04 H new ATOM 0 HB2 PHE A 90 -3.974 15.557 -4.479 1.00 33.44 H new ATOM 0 HB3 PHE A 90 -4.659 14.652 -3.144 1.00 33.44 H new ATOM 0 HD1 PHE A 90 -4.436 12.251 -3.019 1.00 64.42 H new ATOM 0 HD2 PHE A 90 -2.994 14.371 -6.419 1.00 54.43 H new ATOM 0 HE1 PHE A 90 -3.202 10.252 -3.739 1.00 64.42 H new ATOM 0 HE2 PHE A 90 -1.760 12.376 -7.144 1.00 31.42 H new ATOM 0 HZ PHE A 90 -1.859 10.311 -5.803 1.00 4.43 H new ATOM 1400 N ALA A 91 -7.495 13.459 -3.553 1.00 41.35 N ATOM 1401 CA ALA A 91 -8.297 12.285 -3.228 1.00 54.31 C ATOM 1402 C ALA A 91 -9.443 12.112 -4.219 1.00 51.11 C ATOM 1403 O ALA A 91 -9.697 11.010 -4.703 1.00 73.41 O ATOM 1404 CB ALA A 91 -8.835 12.392 -1.809 1.00 62.44 C ATOM 0 H ALA A 91 -7.576 14.224 -2.884 1.00 41.35 H new ATOM 0 HA ALA A 91 -7.656 11.406 -3.297 1.00 54.31 H new ATOM 0 HB1 ALA A 91 -9.432 11.510 -1.579 1.00 62.44 H new ATOM 0 HB2 ALA A 91 -8.003 12.460 -1.108 1.00 62.44 H new ATOM 0 HB3 ALA A 91 -9.456 13.283 -1.722 1.00 62.44 H new ATOM 1410 N VAL A 92 -10.134 13.209 -4.516 1.00 43.03 N ATOM 1411 CA VAL A 92 -11.253 13.178 -5.450 1.00 23.41 C ATOM 1412 C VAL A 92 -10.764 13.104 -6.892 1.00 62.11 C ATOM 1413 O VAL A 92 -11.333 12.386 -7.715 1.00 5.12 O ATOM 1414 CB VAL A 92 -12.153 14.417 -5.288 1.00 12.53 C ATOM 1415 CG1 VAL A 92 -11.355 15.692 -5.519 1.00 23.33 C ATOM 1416 CG2 VAL A 92 -13.338 14.342 -6.239 1.00 72.42 C ATOM 0 H VAL A 92 -9.938 14.130 -4.123 1.00 43.03 H new ATOM 0 HA VAL A 92 -11.833 12.284 -5.220 1.00 23.41 H new ATOM 0 HB VAL A 92 -12.535 14.436 -4.267 1.00 12.53 H new ATOM 0 HG11 VAL A 92 -12.008 16.557 -5.400 1.00 23.33 H new ATOM 0 HG12 VAL A 92 -10.542 15.749 -4.795 1.00 23.33 H new ATOM 0 HG13 VAL A 92 -10.942 15.685 -6.528 1.00 23.33 H new ATOM 0 HG21 VAL A 92 -13.964 15.225 -6.111 1.00 72.42 H new ATOM 0 HG22 VAL A 92 -12.978 14.298 -7.267 1.00 72.42 H new ATOM 0 HG23 VAL A 92 -13.923 13.449 -6.021 1.00 72.42 H new ATOM 1426 N ALA A 93 -9.706 13.850 -7.191 1.00 51.44 N ATOM 1427 CA ALA A 93 -9.138 13.867 -8.534 1.00 60.51 C ATOM 1428 C ALA A 93 -8.279 12.631 -8.783 1.00 32.23 C ATOM 1429 O ALA A 93 -7.889 12.352 -9.916 1.00 31.12 O ATOM 1430 CB ALA A 93 -8.319 15.132 -8.745 1.00 54.01 C ATOM 0 H ALA A 93 -9.225 14.451 -6.522 1.00 51.44 H new ATOM 0 HA ALA A 93 -9.960 13.856 -9.249 1.00 60.51 H new ATOM 0 HB1 ALA A 93 -7.901 15.131 -9.752 1.00 54.01 H new ATOM 0 HB2 ALA A 93 -8.959 16.005 -8.619 1.00 54.01 H new ATOM 0 HB3 ALA A 93 -7.509 15.167 -8.016 1.00 54.01 H new ATOM 1436 N GLY A 94 -7.989 11.893 -7.716 1.00 4.45 N ATOM 1437 CA GLY A 94 -7.177 10.698 -7.839 1.00 64.41 C ATOM 1438 C GLY A 94 -7.996 9.427 -7.726 1.00 21.22 C ATOM 1439 O GLY A 94 -8.208 8.726 -8.716 1.00 52.12 O ATOM 0 H GLY A 94 -8.302 12.102 -6.768 1.00 4.45 H new ATOM 0 HA2 GLY A 94 -6.661 10.710 -8.799 1.00 64.41 H new ATOM 0 HA3 GLY A 94 -6.410 10.702 -7.065 1.00 64.41 H new ATOM 1443 N LEU A 95 -8.456 9.128 -6.516 1.00 61.20 N ATOM 1444 CA LEU A 95 -9.256 7.931 -6.276 1.00 43.03 C ATOM 1445 C LEU A 95 -10.551 7.971 -7.081 1.00 3.44 C ATOM 1446 O LEU A 95 -11.009 6.949 -7.592 1.00 74.32 O ATOM 1447 CB LEU A 95 -9.572 7.796 -4.786 1.00 63.31 C ATOM 1448 CG LEU A 95 -8.416 7.346 -3.893 1.00 24.00 C ATOM 1449 CD1 LEU A 95 -7.791 6.067 -4.431 1.00 50.32 C ATOM 1450 CD2 LEU A 95 -7.370 8.445 -3.779 1.00 52.40 C ATOM 0 H LEU A 95 -8.289 9.697 -5.686 1.00 61.20 H new ATOM 0 HA LEU A 95 -8.677 7.066 -6.598 1.00 43.03 H new ATOM 0 HB2 LEU A 95 -9.932 8.759 -4.423 1.00 63.31 H new ATOM 0 HB3 LEU A 95 -10.391 7.086 -4.672 1.00 63.31 H new ATOM 0 HG LEU A 95 -8.810 7.143 -2.897 1.00 24.00 H new ATOM 0 HD11 LEU A 95 -6.970 5.762 -3.782 1.00 50.32 H new ATOM 0 HD12 LEU A 95 -8.543 5.278 -4.459 1.00 50.32 H new ATOM 0 HD13 LEU A 95 -7.412 6.243 -5.438 1.00 50.32 H new ATOM 0 HD21 LEU A 95 -6.555 8.106 -3.139 1.00 52.40 H new ATOM 0 HD22 LEU A 95 -6.980 8.681 -4.769 1.00 52.40 H new ATOM 0 HD23 LEU A 95 -7.824 9.336 -3.346 1.00 52.40 H new ATOM 1462 N LEU A 96 -11.136 9.159 -7.191 1.00 52.30 N ATOM 1463 CA LEU A 96 -12.378 9.334 -7.937 1.00 32.05 C ATOM 1464 C LEU A 96 -12.097 9.802 -9.361 1.00 75.33 C ATOM 1465 O LEU A 96 -13.018 9.989 -10.156 1.00 1.41 O ATOM 1466 CB LEU A 96 -13.285 10.340 -7.226 1.00 2.54 C ATOM 1467 CG LEU A 96 -14.607 9.792 -6.691 1.00 61.34 C ATOM 1468 CD1 LEU A 96 -14.633 9.847 -5.172 1.00 13.24 C ATOM 1469 CD2 LEU A 96 -15.781 10.564 -7.275 1.00 1.51 C ATOM 0 H LEU A 96 -10.771 10.015 -6.773 1.00 52.30 H new ATOM 0 HA LEU A 96 -12.883 8.369 -7.985 1.00 32.05 H new ATOM 0 HB2 LEU A 96 -12.731 10.773 -6.393 1.00 2.54 H new ATOM 0 HB3 LEU A 96 -13.505 11.152 -7.918 1.00 2.54 H new ATOM 0 HG LEU A 96 -14.696 8.750 -6.997 1.00 61.34 H new ATOM 0 HD11 LEU A 96 -15.582 9.453 -4.810 1.00 13.24 H new ATOM 0 HD12 LEU A 96 -13.815 9.248 -4.772 1.00 13.24 H new ATOM 0 HD13 LEU A 96 -14.520 10.880 -4.843 1.00 13.24 H new ATOM 0 HD21 LEU A 96 -16.714 10.159 -6.882 1.00 1.51 H new ATOM 0 HD22 LEU A 96 -15.698 11.616 -7.001 1.00 1.51 H new ATOM 0 HD23 LEU A 96 -15.774 10.471 -8.361 1.00 1.51 H new ATOM 1481 N ASN A 97 -10.820 9.987 -9.677 1.00 11.34 N ATOM 1482 CA ASN A 97 -10.417 10.433 -11.005 1.00 73.22 C ATOM 1483 C ASN A 97 -11.203 11.672 -11.426 1.00 64.40 C ATOM 1484 O ASN A 97 -11.466 11.880 -12.610 1.00 2.31 O ATOM 1485 CB ASN A 97 -10.627 9.312 -12.026 1.00 0.11 C ATOM 1486 CG ASN A 97 -9.571 9.317 -13.115 1.00 35.11 C ATOM 1487 OD1 ASN A 97 -9.837 9.711 -14.251 1.00 24.24 O ATOM 1488 ND2 ASN A 97 -8.366 8.877 -12.772 1.00 41.44 N ATOM 0 H ASN A 97 -10.046 9.835 -9.031 1.00 11.34 H new ATOM 0 HA ASN A 97 -9.359 10.691 -10.969 1.00 73.22 H new ATOM 0 HB2 ASN A 97 -10.612 8.350 -11.514 1.00 0.11 H new ATOM 0 HB3 ASN A 97 -11.613 9.417 -12.479 1.00 0.11 H new ATOM 0 HD21 ASN A 97 -7.615 8.856 -13.462 1.00 41.44 H new ATOM 0 HD22 ASN A 97 -8.191 8.560 -11.818 1.00 41.44 H new ATOM 1495 N MET A 98 -11.574 12.490 -10.447 1.00 23.33 N ATOM 1496 CA MET A 98 -12.328 13.709 -10.715 1.00 61.12 C ATOM 1497 C MET A 98 -11.458 14.739 -11.429 1.00 11.41 C ATOM 1498 O MET A 98 -10.230 14.672 -11.379 1.00 50.35 O ATOM 1499 CB MET A 98 -12.868 14.297 -9.410 1.00 55.04 C ATOM 1500 CG MET A 98 -14.140 15.110 -9.593 1.00 3.14 C ATOM 1501 SD MET A 98 -13.834 16.887 -9.595 1.00 31.42 S ATOM 1502 CE MET A 98 -14.888 17.411 -10.944 1.00 34.34 C ATOM 0 H MET A 98 -11.365 12.331 -9.461 1.00 23.33 H new ATOM 0 HA MET A 98 -13.166 13.454 -11.364 1.00 61.12 H new ATOM 0 HB2 MET A 98 -13.062 13.486 -8.708 1.00 55.04 H new ATOM 0 HB3 MET A 98 -12.103 14.930 -8.962 1.00 55.04 H new ATOM 0 HG2 MET A 98 -14.616 14.826 -10.532 1.00 3.14 H new ATOM 0 HG3 MET A 98 -14.840 14.867 -8.794 1.00 3.14 H new ATOM 0 HE1 MET A 98 -15.293 18.400 -10.727 1.00 34.34 H new ATOM 0 HE2 MET A 98 -14.307 17.451 -11.865 1.00 34.34 H new ATOM 0 HE3 MET A 98 -15.707 16.702 -11.062 1.00 34.34 H new ATOM 1512 N THR A 99 -12.104 15.694 -12.093 1.00 62.41 N ATOM 1513 CA THR A 99 -11.389 16.737 -12.818 1.00 74.52 C ATOM 1514 C THR A 99 -11.586 18.097 -12.159 1.00 51.11 C ATOM 1515 O THR A 99 -12.105 19.028 -12.776 1.00 1.05 O ATOM 1516 CB THR A 99 -11.852 16.818 -14.286 1.00 13.12 C ATOM 1517 OG1 THR A 99 -12.130 15.506 -14.785 1.00 42.01 O ATOM 1518 CG2 THR A 99 -10.792 17.483 -15.151 1.00 71.42 C ATOM 0 H THR A 99 -13.120 15.766 -12.143 1.00 62.41 H new ATOM 0 HA THR A 99 -10.332 16.473 -12.792 1.00 74.52 H new ATOM 0 HB THR A 99 -12.760 17.420 -14.326 1.00 13.12 H new ATOM 0 HG1 THR A 99 -12.425 15.566 -15.718 1.00 42.01 H new ATOM 0 HG21 THR A 99 -11.141 17.529 -16.183 1.00 71.42 H new ATOM 0 HG22 THR A 99 -10.605 18.493 -14.786 1.00 71.42 H new ATOM 0 HG23 THR A 99 -9.869 16.904 -15.105 1.00 71.42 H new ATOM 1526 N VAL A 100 -11.166 18.207 -10.902 1.00 75.22 N ATOM 1527 CA VAL A 100 -11.295 19.455 -10.159 1.00 44.15 C ATOM 1528 C VAL A 100 -10.712 20.624 -10.945 1.00 61.14 C ATOM 1529 O VAL A 100 -9.656 20.503 -11.567 1.00 21.31 O ATOM 1530 CB VAL A 100 -10.591 19.368 -8.792 1.00 53.35 C ATOM 1531 CG1 VAL A 100 -10.718 20.685 -8.042 1.00 14.40 C ATOM 1532 CG2 VAL A 100 -11.161 18.221 -7.972 1.00 40.41 C ATOM 0 H VAL A 100 -10.734 17.447 -10.377 1.00 75.22 H new ATOM 0 HA VAL A 100 -12.360 19.622 -10.001 1.00 44.15 H new ATOM 0 HB VAL A 100 -9.532 19.173 -8.959 1.00 53.35 H new ATOM 0 HG11 VAL A 100 -10.215 20.605 -7.078 1.00 14.40 H new ATOM 0 HG12 VAL A 100 -10.258 21.482 -8.626 1.00 14.40 H new ATOM 0 HG13 VAL A 100 -11.772 20.913 -7.883 1.00 14.40 H new ATOM 0 HG21 VAL A 100 -10.652 18.174 -7.009 1.00 40.41 H new ATOM 0 HG22 VAL A 100 -12.227 18.383 -7.812 1.00 40.41 H new ATOM 0 HG23 VAL A 100 -11.013 17.283 -8.507 1.00 40.41 H new ATOM 1542 N SER A 101 -11.407 21.756 -10.913 1.00 43.25 N ATOM 1543 CA SER A 101 -10.960 22.948 -11.625 1.00 73.33 C ATOM 1544 C SER A 101 -9.997 23.764 -10.768 1.00 73.12 C ATOM 1545 O SER A 101 -9.031 24.337 -11.273 1.00 25.12 O ATOM 1546 CB SER A 101 -12.160 23.809 -12.025 1.00 62.54 C ATOM 1547 OG SER A 101 -13.292 23.005 -12.309 1.00 54.43 O ATOM 0 H SER A 101 -12.282 21.873 -10.402 1.00 43.25 H new ATOM 0 HA SER A 101 -10.435 22.628 -12.525 1.00 73.33 H new ATOM 0 HB2 SER A 101 -12.397 24.505 -11.220 1.00 62.54 H new ATOM 0 HB3 SER A 101 -11.907 24.408 -12.900 1.00 62.54 H new ATOM 0 HG SER A 101 -14.046 23.579 -12.560 1.00 54.43 H new ATOM 1553 N THR A 102 -10.268 23.813 -9.468 1.00 53.04 N ATOM 1554 CA THR A 102 -9.428 24.560 -8.540 1.00 60.41 C ATOM 1555 C THR A 102 -9.349 23.862 -7.187 1.00 34.52 C ATOM 1556 O THR A 102 -10.319 23.255 -6.734 1.00 71.54 O ATOM 1557 CB THR A 102 -9.953 25.993 -8.335 1.00 41.43 C ATOM 1558 OG1 THR A 102 -11.132 25.972 -7.523 1.00 40.40 O ATOM 1559 CG2 THR A 102 -10.263 26.651 -9.672 1.00 14.12 C ATOM 0 H THR A 102 -11.063 23.344 -9.034 1.00 53.04 H new ATOM 0 HA THR A 102 -8.433 24.606 -8.982 1.00 60.41 H new ATOM 0 HB THR A 102 -9.178 26.572 -7.833 1.00 41.43 H new ATOM 0 HG1 THR A 102 -11.458 26.887 -7.396 1.00 40.40 H new ATOM 0 HG21 THR A 102 -10.632 27.662 -9.503 1.00 14.12 H new ATOM 0 HG22 THR A 102 -9.357 26.692 -10.276 1.00 14.12 H new ATOM 0 HG23 THR A 102 -11.022 26.070 -10.196 1.00 14.12 H new ATOM 1567 N ALA A 103 -8.189 23.954 -6.545 1.00 73.33 N ATOM 1568 CA ALA A 103 -7.986 23.333 -5.242 1.00 44.03 C ATOM 1569 C ALA A 103 -9.088 23.730 -4.267 1.00 25.42 C ATOM 1570 O ALA A 103 -9.511 22.928 -3.434 1.00 14.13 O ATOM 1571 CB ALA A 103 -6.622 23.713 -4.684 1.00 43.00 C ATOM 0 H ALA A 103 -7.376 24.453 -6.906 1.00 73.33 H new ATOM 0 HA ALA A 103 -8.025 22.251 -5.372 1.00 44.03 H new ATOM 0 HB1 ALA A 103 -6.483 23.243 -3.711 1.00 43.00 H new ATOM 0 HB2 ALA A 103 -5.842 23.373 -5.366 1.00 43.00 H new ATOM 0 HB3 ALA A 103 -6.562 24.796 -4.575 1.00 43.00 H new ATOM 1577 N ALA A 104 -9.549 24.972 -4.375 1.00 61.22 N ATOM 1578 CA ALA A 104 -10.604 25.474 -3.504 1.00 1.25 C ATOM 1579 C ALA A 104 -11.898 24.693 -3.701 1.00 22.42 C ATOM 1580 O ALA A 104 -12.501 24.219 -2.739 1.00 72.12 O ATOM 1581 CB ALA A 104 -10.835 26.956 -3.757 1.00 31.35 C ATOM 0 H ALA A 104 -9.208 25.649 -5.058 1.00 61.22 H new ATOM 0 HA ALA A 104 -10.284 25.338 -2.471 1.00 1.25 H new ATOM 0 HB1 ALA A 104 -11.626 27.318 -3.100 1.00 31.35 H new ATOM 0 HB2 ALA A 104 -9.916 27.507 -3.557 1.00 31.35 H new ATOM 0 HB3 ALA A 104 -11.129 27.106 -4.796 1.00 31.35 H new ATOM 1587 N ALA A 105 -12.320 24.563 -4.955 1.00 25.24 N ATOM 1588 CA ALA A 105 -13.542 23.837 -5.279 1.00 13.34 C ATOM 1589 C ALA A 105 -13.484 22.405 -4.759 1.00 50.04 C ATOM 1590 O ALA A 105 -14.494 21.848 -4.331 1.00 13.13 O ATOM 1591 CB ALA A 105 -13.779 23.847 -6.781 1.00 51.42 C ATOM 0 H ALA A 105 -11.833 24.951 -5.763 1.00 25.24 H new ATOM 0 HA ALA A 105 -14.375 24.340 -4.788 1.00 13.34 H new ATOM 0 HB1 ALA A 105 -14.695 23.301 -7.008 1.00 51.42 H new ATOM 0 HB2 ALA A 105 -13.874 24.876 -7.127 1.00 51.42 H new ATOM 0 HB3 ALA A 105 -12.938 23.371 -7.285 1.00 51.42 H new ATOM 1597 N ALA A 106 -12.295 21.813 -4.801 1.00 31.41 N ATOM 1598 CA ALA A 106 -12.105 20.445 -4.334 1.00 13.34 C ATOM 1599 C ALA A 106 -12.405 20.328 -2.843 1.00 40.24 C ATOM 1600 O ALA A 106 -13.195 19.483 -2.425 1.00 60.40 O ATOM 1601 CB ALA A 106 -10.687 19.978 -4.628 1.00 53.22 C ATOM 0 H ALA A 106 -11.448 22.259 -5.154 1.00 31.41 H new ATOM 0 HA ALA A 106 -12.804 19.804 -4.870 1.00 13.34 H new ATOM 0 HB1 ALA A 106 -10.560 18.955 -4.274 1.00 53.22 H new ATOM 0 HB2 ALA A 106 -10.507 20.015 -5.702 1.00 53.22 H new ATOM 0 HB3 ALA A 106 -9.977 20.629 -4.119 1.00 53.22 H new ATOM 1607 N GLU A 107 -11.768 21.181 -2.048 1.00 43.40 N ATOM 1608 CA GLU A 107 -11.965 21.171 -0.603 1.00 71.24 C ATOM 1609 C GLU A 107 -13.425 21.442 -0.252 1.00 21.35 C ATOM 1610 O GLU A 107 -14.035 20.706 0.522 1.00 33.20 O ATOM 1611 CB GLU A 107 -11.067 22.214 0.064 1.00 22.13 C ATOM 1612 CG GLU A 107 -10.843 21.965 1.547 1.00 12.21 C ATOM 1613 CD GLU A 107 -10.979 23.227 2.377 1.00 42.13 C ATOM 1614 OE1 GLU A 107 -12.006 23.924 2.233 1.00 62.34 O ATOM 1615 OE2 GLU A 107 -10.059 23.518 3.169 1.00 0.14 O ATOM 0 H GLU A 107 -11.111 21.888 -2.380 1.00 43.40 H new ATOM 0 HA GLU A 107 -11.697 20.182 -0.232 1.00 71.24 H new ATOM 0 HB2 GLU A 107 -10.102 22.228 -0.443 1.00 22.13 H new ATOM 0 HB3 GLU A 107 -11.511 23.201 -0.067 1.00 22.13 H new ATOM 0 HG2 GLU A 107 -11.560 21.224 1.900 1.00 12.21 H new ATOM 0 HG3 GLU A 107 -9.849 21.543 1.695 1.00 12.21 H new ATOM 1622 N ASN A 108 -13.978 22.505 -0.826 1.00 53.25 N ATOM 1623 CA ASN A 108 -15.366 22.875 -0.574 1.00 2.41 C ATOM 1624 C ASN A 108 -16.297 21.690 -0.808 1.00 51.24 C ATOM 1625 O ASN A 108 -17.265 21.493 -0.075 1.00 21.24 O ATOM 1626 CB ASN A 108 -15.775 24.045 -1.472 1.00 12.24 C ATOM 1627 CG ASN A 108 -15.870 25.353 -0.710 1.00 50.34 C ATOM 1628 OD1 ASN A 108 -15.079 25.615 0.196 1.00 12.12 O ATOM 1629 ND2 ASN A 108 -16.841 26.181 -1.076 1.00 53.11 N ATOM 0 H ASN A 108 -13.486 23.126 -1.469 1.00 53.25 H new ATOM 0 HA ASN A 108 -15.451 23.179 0.469 1.00 2.41 H new ATOM 0 HB2 ASN A 108 -15.051 24.150 -2.280 1.00 12.24 H new ATOM 0 HB3 ASN A 108 -16.738 23.826 -1.934 1.00 12.24 H new ATOM 0 HD21 ASN A 108 -16.954 27.076 -0.600 1.00 53.11 H new ATOM 0 HD22 ASN A 108 -17.474 25.922 -1.833 1.00 53.11 H new ATOM 1636 N MET A 109 -15.995 20.903 -1.837 1.00 32.52 N ATOM 1637 CA MET A 109 -16.805 19.736 -2.166 1.00 62.33 C ATOM 1638 C MET A 109 -16.550 18.600 -1.180 1.00 44.41 C ATOM 1639 O MET A 109 -17.481 17.927 -0.739 1.00 73.04 O ATOM 1640 CB MET A 109 -16.503 19.265 -3.591 1.00 44.44 C ATOM 1641 CG MET A 109 -17.728 18.765 -4.339 1.00 3.35 C ATOM 1642 SD MET A 109 -17.319 17.557 -5.614 1.00 12.25 S ATOM 1643 CE MET A 109 -16.830 16.158 -4.609 1.00 61.04 C ATOM 0 H MET A 109 -15.198 21.052 -2.455 1.00 32.52 H new ATOM 0 HA MET A 109 -17.854 20.023 -2.099 1.00 62.33 H new ATOM 0 HB2 MET A 109 -16.057 20.088 -4.150 1.00 44.44 H new ATOM 0 HB3 MET A 109 -15.761 18.467 -3.552 1.00 44.44 H new ATOM 0 HG2 MET A 109 -18.424 18.317 -3.630 1.00 3.35 H new ATOM 0 HG3 MET A 109 -18.240 19.611 -4.797 1.00 3.35 H new ATOM 0 HE1 MET A 109 -15.761 15.980 -4.729 1.00 61.04 H new ATOM 0 HE2 MET A 109 -17.048 16.368 -3.562 1.00 61.04 H new ATOM 0 HE3 MET A 109 -17.383 15.273 -4.924 1.00 61.04 H new ATOM 1653 N TYR A 110 -15.283 18.394 -0.837 1.00 40.33 N ATOM 1654 CA TYR A 110 -14.905 17.339 0.096 1.00 50.14 C ATOM 1655 C TYR A 110 -15.633 17.503 1.427 1.00 65.25 C ATOM 1656 O TYR A 110 -15.878 16.527 2.136 1.00 1.33 O ATOM 1657 CB TYR A 110 -13.392 17.348 0.324 1.00 72.03 C ATOM 1658 CG TYR A 110 -12.806 15.973 0.548 1.00 64.14 C ATOM 1659 CD1 TYR A 110 -12.834 15.380 1.804 1.00 32.12 C ATOM 1660 CD2 TYR A 110 -12.222 15.266 -0.497 1.00 23.15 C ATOM 1661 CE1 TYR A 110 -12.299 14.124 2.015 1.00 51.03 C ATOM 1662 CE2 TYR A 110 -11.686 14.009 -0.296 1.00 5.24 C ATOM 1663 CZ TYR A 110 -11.726 13.442 0.961 1.00 2.14 C ATOM 1664 OH TYR A 110 -11.191 12.191 1.165 1.00 13.15 O ATOM 0 H TYR A 110 -14.500 18.944 -1.191 1.00 40.33 H new ATOM 0 HA TYR A 110 -15.194 16.383 -0.340 1.00 50.14 H new ATOM 0 HB2 TYR A 110 -12.906 17.805 -0.538 1.00 72.03 H new ATOM 0 HB3 TYR A 110 -13.167 17.975 1.187 1.00 72.03 H new ATOM 0 HD1 TYR A 110 -13.282 15.911 2.631 1.00 32.12 H new ATOM 0 HD2 TYR A 110 -12.187 15.707 -1.482 1.00 23.15 H new ATOM 0 HE1 TYR A 110 -12.329 13.679 2.998 1.00 51.03 H new ATOM 0 HE2 TYR A 110 -11.238 13.472 -1.119 1.00 5.24 H new ATOM 0 HH TYR A 110 -10.829 11.849 0.321 1.00 13.15 H new ATOM 1674 N SER A 111 -15.977 18.743 1.757 1.00 64.34 N ATOM 1675 CA SER A 111 -16.673 19.037 3.003 1.00 31.22 C ATOM 1676 C SER A 111 -18.173 19.179 2.767 1.00 32.31 C ATOM 1677 O SER A 111 -18.985 18.797 3.610 1.00 45.44 O ATOM 1678 CB SER A 111 -16.120 20.317 3.631 1.00 32.14 C ATOM 1679 OG SER A 111 -16.766 20.601 4.861 1.00 54.41 O ATOM 0 H SER A 111 -15.785 19.561 1.178 1.00 64.34 H new ATOM 0 HA SER A 111 -16.508 18.205 3.687 1.00 31.22 H new ATOM 0 HB2 SER A 111 -15.048 20.211 3.795 1.00 32.14 H new ATOM 0 HB3 SER A 111 -16.256 21.152 2.943 1.00 32.14 H new ATOM 0 HG SER A 111 -16.394 21.423 5.244 1.00 54.41 H new ATOM 1685 N GLN A 112 -18.535 19.731 1.613 1.00 42.52 N ATOM 1686 CA GLN A 112 -19.937 19.925 1.265 1.00 54.43 C ATOM 1687 C GLN A 112 -20.671 18.590 1.201 1.00 53.41 C ATOM 1688 O GLN A 112 -21.887 18.530 1.385 1.00 22.12 O ATOM 1689 CB GLN A 112 -20.055 20.652 -0.076 1.00 13.11 C ATOM 1690 CG GLN A 112 -20.109 22.166 0.055 1.00 71.35 C ATOM 1691 CD GLN A 112 -21.488 22.728 -0.229 1.00 45.15 C ATOM 1692 OE1 GLN A 112 -22.129 22.363 -1.216 1.00 2.11 O ATOM 1693 NE2 GLN A 112 -21.953 23.620 0.636 1.00 12.52 N ATOM 0 H GLN A 112 -17.876 20.052 0.903 1.00 42.52 H new ATOM 0 HA GLN A 112 -20.398 20.535 2.042 1.00 54.43 H new ATOM 0 HB2 GLN A 112 -19.206 20.380 -0.703 1.00 13.11 H new ATOM 0 HB3 GLN A 112 -20.953 20.308 -0.589 1.00 13.11 H new ATOM 0 HG2 GLN A 112 -19.805 22.451 1.062 1.00 71.35 H new ATOM 0 HG3 GLN A 112 -19.390 22.612 -0.633 1.00 71.35 H new ATOM 0 HE21 GLN A 112 -21.388 23.893 1.440 1.00 12.52 H new ATOM 0 HE22 GLN A 112 -22.876 24.032 0.497 1.00 12.52 H new ATOM 1702 N MET A 113 -19.926 17.523 0.936 1.00 25.44 N ATOM 1703 CA MET A 113 -20.506 16.188 0.848 1.00 34.53 C ATOM 1704 C MET A 113 -20.104 15.340 2.051 1.00 71.35 C ATOM 1705 O MET A 113 -20.181 14.112 2.010 1.00 54.10 O ATOM 1706 CB MET A 113 -20.067 15.501 -0.446 1.00 52.42 C ATOM 1707 CG MET A 113 -20.918 15.871 -1.650 1.00 44.10 C ATOM 1708 SD MET A 113 -21.174 14.484 -2.772 1.00 44.45 S ATOM 1709 CE MET A 113 -19.482 14.065 -3.184 1.00 24.54 C ATOM 0 H MET A 113 -18.919 17.556 0.778 1.00 25.44 H new ATOM 0 HA MET A 113 -21.591 16.290 0.845 1.00 34.53 H new ATOM 0 HB2 MET A 113 -19.029 15.761 -0.652 1.00 52.42 H new ATOM 0 HB3 MET A 113 -20.103 14.421 -0.304 1.00 52.42 H new ATOM 0 HG2 MET A 113 -21.885 16.239 -1.307 1.00 44.10 H new ATOM 0 HG3 MET A 113 -20.440 16.687 -2.191 1.00 44.10 H new ATOM 0 HE1 MET A 113 -19.399 13.903 -4.259 1.00 24.54 H new ATOM 0 HE2 MET A 113 -18.823 14.881 -2.888 1.00 24.54 H new ATOM 0 HE3 MET A 113 -19.193 13.156 -2.656 1.00 24.54 H new ATOM 1719 N GLY A 114 -19.673 16.002 3.120 1.00 13.31 N ATOM 1720 CA GLY A 114 -19.264 15.292 4.318 1.00 53.35 C ATOM 1721 C GLY A 114 -18.215 14.235 4.035 1.00 40.31 C ATOM 1722 O GLY A 114 -18.096 13.255 4.772 1.00 54.12 O ATOM 0 H GLY A 114 -19.600 17.018 3.178 1.00 13.31 H new ATOM 0 HA2 GLY A 114 -18.871 16.005 5.043 1.00 53.35 H new ATOM 0 HA3 GLY A 114 -20.136 14.822 4.774 1.00 53.35 H new ATOM 1726 N LEU A 115 -17.452 14.432 2.966 1.00 23.30 N ATOM 1727 CA LEU A 115 -16.408 13.487 2.587 1.00 74.14 C ATOM 1728 C LEU A 115 -15.198 13.615 3.505 1.00 43.32 C ATOM 1729 O LEU A 115 -14.432 12.666 3.677 1.00 12.05 O ATOM 1730 CB LEU A 115 -15.987 13.717 1.134 1.00 70.02 C ATOM 1731 CG LEU A 115 -17.115 14.023 0.149 1.00 74.14 C ATOM 1732 CD1 LEU A 115 -16.550 14.360 -1.223 1.00 14.15 C ATOM 1733 CD2 LEU A 115 -18.077 12.846 0.057 1.00 41.53 C ATOM 0 H LEU A 115 -17.537 15.238 2.346 1.00 23.30 H new ATOM 0 HA LEU A 115 -16.811 12.479 2.687 1.00 74.14 H new ATOM 0 HB2 LEU A 115 -15.276 14.543 1.109 1.00 70.02 H new ATOM 0 HB3 LEU A 115 -15.458 12.830 0.785 1.00 70.02 H new ATOM 0 HG LEU A 115 -17.666 14.889 0.515 1.00 74.14 H new ATOM 0 HD11 LEU A 115 -17.368 14.575 -1.911 1.00 14.15 H new ATOM 0 HD12 LEU A 115 -15.902 15.233 -1.145 1.00 14.15 H new ATOM 0 HD13 LEU A 115 -15.974 13.514 -1.597 1.00 14.15 H new ATOM 0 HD21 LEU A 115 -18.874 13.082 -0.649 1.00 41.53 H new ATOM 0 HD22 LEU A 115 -17.539 11.962 -0.285 1.00 41.53 H new ATOM 0 HD23 LEU A 115 -18.508 12.651 1.039 1.00 41.53 H new