USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 662 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 50 MET CE :methyl -175:sc= 0 (180deg=-0.0183) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0.0669 USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0 X(o=0.78,f=0.78) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.784 K(o=0.78,f=-4.6!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -150:sc= -2.16! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 168:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 63 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.5) USER MOD Single : A 67 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.41) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.850 -1.379 -4.814 1.00 0.00 N ATOM 30 CA ASP A 3 4.948 -0.908 -6.222 1.00 0.00 C ATOM 31 C ASP A 3 6.403 -1.154 -6.769 1.00 0.00 C ATOM 32 O ASP A 3 7.308 -0.404 -6.384 1.00 0.00 O ATOM 33 CB ASP A 3 4.493 0.576 -6.265 1.00 0.00 C ATOM 34 CG ASP A 3 4.298 1.142 -7.675 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.145 1.058 -8.563 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.085 1.752 -7.826 1.00 0.00 O ATOM 0 HA ASP A 3 4.290 -1.469 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.556 0.671 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.231 1.184 -5.742 1.00 0.00 H new ATOM 41 N PRO A 4 6.684 -2.139 -7.673 1.00 0.00 N ATOM 42 CA PRO A 4 8.063 -2.389 -8.186 1.00 0.00 C ATOM 43 C PRO A 4 8.662 -1.339 -9.185 1.00 0.00 C ATOM 44 O PRO A 4 9.874 -1.107 -9.164 1.00 0.00 O ATOM 45 CB PRO A 4 7.929 -3.814 -8.758 1.00 0.00 C ATOM 46 CG PRO A 4 6.468 -3.941 -9.192 1.00 0.00 C ATOM 47 CD PRO A 4 5.688 -3.110 -8.171 1.00 0.00 C ATOM 0 HA PRO A 4 8.809 -2.285 -7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.604 -3.964 -9.601 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.183 -4.564 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.321 -3.565 -10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.142 -4.981 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.836 -2.609 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.297 -3.731 -7.365 1.00 0.00 H new ATOM 55 N ALA A 5 7.827 -0.668 -10.002 1.00 0.00 N ATOM 56 CA ALA A 5 8.245 0.520 -10.802 1.00 0.00 C ATOM 57 C ALA A 5 8.681 1.790 -9.990 1.00 0.00 C ATOM 58 O ALA A 5 9.622 2.479 -10.393 1.00 0.00 O ATOM 59 CB ALA A 5 7.098 0.816 -11.785 1.00 0.00 C ATOM 0 H ALA A 5 6.848 -0.925 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 5 9.172 0.265 -11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.357 1.681 -12.396 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.939 -0.049 -12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.186 1.026 -11.227 1.00 0.00 H new ATOM 65 N ALA A 6 8.066 2.066 -8.826 1.00 0.00 N ATOM 66 CA ALA A 6 8.670 2.958 -7.796 1.00 0.00 C ATOM 67 C ALA A 6 9.912 2.382 -7.027 1.00 0.00 C ATOM 68 O ALA A 6 10.820 3.144 -6.690 1.00 0.00 O ATOM 69 CB ALA A 6 7.537 3.367 -6.840 1.00 0.00 C ATOM 0 H ALA A 6 7.154 1.690 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 6 9.101 3.816 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.934 4.023 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.762 3.892 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.112 2.476 -6.378 1.00 0.00 H new ATOM 75 N GLY A 7 9.985 1.061 -6.778 1.00 0.00 N ATOM 76 CA GLY A 7 11.163 0.408 -6.140 1.00 0.00 C ATOM 77 C GLY A 7 12.512 0.417 -6.885 1.00 0.00 C ATOM 78 O GLY A 7 13.551 0.502 -6.232 1.00 0.00 O ATOM 0 H GLY A 7 9.235 0.410 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.318 0.882 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.899 -0.632 -5.947 1.00 0.00 H new ATOM 82 N GLU A 8 12.502 0.374 -8.226 1.00 0.00 N ATOM 83 CA GLU A 8 13.696 0.738 -9.053 1.00 0.00 C ATOM 84 C GLU A 8 14.198 2.219 -8.930 1.00 0.00 C ATOM 85 O GLU A 8 15.407 2.458 -8.959 1.00 0.00 O ATOM 86 CB GLU A 8 13.491 0.295 -10.528 1.00 0.00 C ATOM 87 CG GLU A 8 12.343 0.960 -11.326 1.00 0.00 C ATOM 88 CD GLU A 8 12.211 0.449 -12.756 1.00 0.00 C ATOM 89 OE1 GLU A 8 12.812 0.928 -13.712 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.348 -0.600 -12.857 1.00 0.00 O ATOM 0 H GLU A 8 11.689 0.093 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 8 14.522 0.174 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.422 0.477 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.324 -0.782 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.403 0.791 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.506 2.038 -11.349 1.00 0.00 H new ATOM 97 N LYS A 9 13.285 3.191 -8.742 1.00 0.00 N ATOM 98 CA LYS A 9 13.633 4.602 -8.404 1.00 0.00 C ATOM 99 C LYS A 9 14.266 4.752 -6.977 1.00 0.00 C ATOM 100 O LYS A 9 15.332 5.357 -6.841 1.00 0.00 O ATOM 101 CB LYS A 9 12.368 5.498 -8.553 1.00 0.00 C ATOM 102 CG LYS A 9 11.562 5.409 -9.877 1.00 0.00 C ATOM 103 CD LYS A 9 11.827 6.516 -10.918 1.00 0.00 C ATOM 104 CE LYS A 9 13.206 6.424 -11.593 1.00 0.00 C ATOM 105 NZ LYS A 9 13.333 7.462 -12.633 1.00 0.00 N ATOM 0 H LYS A 9 12.281 3.029 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 9 14.400 4.930 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.691 5.258 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.676 6.535 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.774 4.446 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.500 5.418 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.055 6.471 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.736 7.487 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.993 6.546 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.337 5.437 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.268 7.391 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.593 7.327 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.228 8.402 -12.200 1.00 0.00 H new ATOM 118 N VAL A 10 13.651 4.143 -5.938 1.00 0.00 N ATOM 119 CA VAL A 10 14.280 3.994 -4.580 1.00 0.00 C ATOM 120 C VAL A 10 15.644 3.199 -4.598 1.00 0.00 C ATOM 121 O VAL A 10 16.608 3.644 -3.965 1.00 0.00 O ATOM 122 CB VAL A 10 13.292 3.423 -3.497 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.828 3.606 -2.054 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.867 4.026 -3.475 1.00 0.00 C ATOM 0 H VAL A 10 12.716 3.741 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 10 14.522 5.013 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 10 13.229 2.379 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.110 3.196 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.779 3.084 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.973 4.667 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.283 3.551 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.928 5.098 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.384 3.855 -4.437 1.00 0.00 H new ATOM 134 N PHE A 11 15.761 2.072 -5.341 1.00 0.00 N ATOM 135 CA PHE A 11 17.067 1.393 -5.601 1.00 0.00 C ATOM 136 C PHE A 11 18.205 2.247 -6.260 1.00 0.00 C ATOM 137 O PHE A 11 19.374 1.908 -6.065 1.00 0.00 O ATOM 138 CB PHE A 11 16.818 0.074 -6.394 1.00 0.00 C ATOM 139 CG PHE A 11 17.979 -0.938 -6.306 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.056 -1.791 -5.204 1.00 0.00 C ATOM 141 CD2 PHE A 11 19.015 -0.942 -7.248 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.154 -2.630 -5.033 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.126 -1.767 -7.066 1.00 0.00 C ATOM 144 CZ PHE A 11 20.196 -2.608 -5.958 1.00 0.00 C ATOM 0 H PHE A 11 14.965 1.607 -5.776 1.00 0.00 H new ATOM 0 HA PHE A 11 17.471 1.192 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.909 -0.397 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.642 0.319 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.257 -1.800 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.954 -0.305 -8.118 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.198 -3.297 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.932 -1.753 -7.785 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.058 -3.243 -5.816 1.00 0.00 H new ATOM 154 N GLY A 12 17.925 3.359 -6.966 1.00 0.00 N ATOM 155 CA GLY A 12 18.985 4.332 -7.361 1.00 0.00 C ATOM 156 C GLY A 12 19.911 4.938 -6.263 1.00 0.00 C ATOM 157 O GLY A 12 21.069 5.250 -6.541 1.00 0.00 O ATOM 0 H GLY A 12 16.987 3.613 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.624 3.840 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.495 5.161 -7.871 1.00 0.00 H new ATOM 161 N LYS A 13 19.422 5.042 -5.017 1.00 0.00 N ATOM 162 CA LYS A 13 20.278 5.247 -3.807 1.00 0.00 C ATOM 163 C LYS A 13 21.172 4.020 -3.388 1.00 0.00 C ATOM 164 O LYS A 13 22.286 4.220 -2.896 1.00 0.00 O ATOM 165 CB LYS A 13 19.357 5.696 -2.639 1.00 0.00 C ATOM 166 CG LYS A 13 18.734 7.106 -2.790 1.00 0.00 C ATOM 167 CD LYS A 13 17.677 7.469 -1.727 1.00 0.00 C ATOM 168 CE LYS A 13 16.323 6.764 -1.937 1.00 0.00 C ATOM 169 NZ LYS A 13 15.326 7.290 -0.986 1.00 0.00 N ATOM 0 H LYS A 13 18.426 4.988 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 13 21.009 6.014 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.551 4.970 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.932 5.668 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.534 7.846 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.276 7.181 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.062 7.211 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.521 8.548 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.979 6.918 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.438 5.689 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.416 6.809 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.652 7.121 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.206 8.312 -1.138 1.00 0.00 H new ATOM 182 N CYS A 14 20.704 2.772 -3.576 1.00 0.00 N ATOM 183 CA CYS A 14 21.528 1.545 -3.402 1.00 0.00 C ATOM 184 C CYS A 14 22.563 1.233 -4.544 1.00 0.00 C ATOM 185 O CYS A 14 23.648 0.726 -4.246 1.00 0.00 O ATOM 186 CB CYS A 14 20.562 0.345 -3.241 1.00 0.00 C ATOM 187 SG CYS A 14 19.029 0.702 -2.339 1.00 0.00 S ATOM 0 H CYS A 14 19.742 2.578 -3.854 1.00 0.00 H new ATOM 0 HA CYS A 14 22.146 1.722 -2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.303 -0.028 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.089 -0.458 -2.726 1.00 0.00 H new ATOM 0 HG CYS A 14 18.627 -0.371 -1.725 1.00 0.00 H new ATOM 192 N LYS A 15 22.225 1.482 -5.831 1.00 0.00 N ATOM 193 CA LYS A 15 22.978 0.939 -7.008 1.00 0.00 C ATOM 194 C LYS A 15 24.487 1.306 -7.204 1.00 0.00 C ATOM 195 O LYS A 15 25.229 0.520 -7.799 1.00 0.00 O ATOM 196 CB LYS A 15 22.147 1.160 -8.303 1.00 0.00 C ATOM 197 CG LYS A 15 22.152 2.580 -8.924 1.00 0.00 C ATOM 198 CD LYS A 15 21.216 2.740 -10.142 1.00 0.00 C ATOM 199 CE LYS A 15 21.725 2.060 -11.424 1.00 0.00 C ATOM 200 NZ LYS A 15 20.794 2.327 -12.538 1.00 0.00 N ATOM 0 H LYS A 15 21.427 2.062 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 15 23.082 -0.117 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.509 0.462 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.113 0.890 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.861 3.300 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.169 2.829 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.238 2.329 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.074 3.803 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.719 2.431 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.816 0.986 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.144 1.865 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.853 1.952 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.728 3.353 -12.697 1.00 0.00 H new ATOM 213 N ALA A 16 24.947 2.466 -6.700 1.00 0.00 N ATOM 214 CA ALA A 16 26.401 2.774 -6.589 1.00 0.00 C ATOM 215 C ALA A 16 27.235 1.834 -5.651 1.00 0.00 C ATOM 216 O ALA A 16 28.388 1.527 -5.962 1.00 0.00 O ATOM 217 CB ALA A 16 26.504 4.251 -6.162 1.00 0.00 C ATOM 0 H ALA A 16 24.339 3.211 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 16 26.858 2.589 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.553 4.530 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.029 4.881 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.003 4.389 -5.204 1.00 0.00 H new ATOM 223 N CYS A 17 26.650 1.372 -4.531 1.00 0.00 N ATOM 224 CA CYS A 17 27.243 0.306 -3.689 1.00 0.00 C ATOM 225 C CYS A 17 26.858 -1.167 -4.064 1.00 0.00 C ATOM 226 O CYS A 17 27.723 -2.041 -3.969 1.00 0.00 O ATOM 227 CB CYS A 17 26.858 0.618 -2.232 1.00 0.00 C ATOM 228 SG CYS A 17 27.375 2.280 -1.706 1.00 0.00 S ATOM 0 H CYS A 17 25.758 1.722 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 17 28.320 0.327 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.778 0.526 -2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.312 -0.124 -1.575 1.00 0.00 H new ATOM 0 HG CYS A 17 27.017 2.475 -0.472 1.00 0.00 H new ATOM 233 N HIS A 18 25.593 -1.469 -4.416 1.00 0.00 N ATOM 234 CA HIS A 18 25.096 -2.870 -4.570 1.00 0.00 C ATOM 235 C HIS A 18 24.627 -3.207 -6.017 1.00 0.00 C ATOM 236 O HIS A 18 23.930 -2.419 -6.664 1.00 0.00 O ATOM 237 CB HIS A 18 23.892 -3.082 -3.624 1.00 0.00 C ATOM 238 CG HIS A 18 24.217 -3.188 -2.144 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.586 -4.359 -1.533 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.869 -2.238 -1.189 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.355 -4.044 -0.230 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.852 -2.790 0.103 1.00 0.00 N ATOM 0 H HIS A 18 24.883 -0.761 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 18 25.934 -3.525 -4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.196 -2.255 -3.764 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.373 -3.991 -3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.936 -5.225 -1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.641 -1.206 -1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.562 -4.767 0.546 1.00 0.00 H new ATOM 250 N LYS A 19 24.912 -4.440 -6.473 1.00 0.00 N ATOM 251 CA LYS A 19 24.432 -4.942 -7.791 1.00 0.00 C ATOM 252 C LYS A 19 23.278 -5.990 -7.633 1.00 0.00 C ATOM 253 O LYS A 19 23.277 -6.842 -6.735 1.00 0.00 O ATOM 254 CB LYS A 19 25.619 -5.555 -8.585 1.00 0.00 C ATOM 255 CG LYS A 19 26.798 -4.603 -8.908 1.00 0.00 C ATOM 256 CD LYS A 19 27.966 -5.332 -9.604 1.00 0.00 C ATOM 257 CE LYS A 19 29.235 -4.483 -9.798 1.00 0.00 C ATOM 258 NZ LYS A 19 29.054 -3.431 -10.819 1.00 0.00 N ATOM 0 H LYS A 19 25.473 -5.115 -5.953 1.00 0.00 H new ATOM 0 HA LYS A 19 24.025 -4.096 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.008 -6.401 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.233 -5.951 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.444 -3.795 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.156 -4.146 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.223 -6.216 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.628 -5.682 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.510 -4.022 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.062 -5.131 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.934 -2.885 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.818 -3.870 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.283 -2.796 -10.530 1.00 0.00 H new ATOM 271 N LEU A 20 22.324 -5.958 -8.579 1.00 0.00 N ATOM 272 CA LEU A 20 21.305 -7.043 -8.761 1.00 0.00 C ATOM 273 C LEU A 20 21.632 -8.077 -9.900 1.00 0.00 C ATOM 274 O LEU A 20 20.725 -8.737 -10.415 1.00 0.00 O ATOM 275 CB LEU A 20 19.928 -6.342 -8.989 1.00 0.00 C ATOM 276 CG LEU A 20 19.253 -5.721 -7.737 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.281 -4.605 -8.149 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.461 -6.758 -6.929 1.00 0.00 C ATOM 0 H LEU A 20 22.225 -5.190 -9.243 1.00 0.00 H new ATOM 0 HA LEU A 20 21.298 -7.661 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.065 -5.554 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.242 -7.070 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 20 20.059 -5.327 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.816 -4.180 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.826 -3.825 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.510 -5.016 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.007 -6.275 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.680 -7.188 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.133 -7.548 -6.593 1.00 0.00 H new ATOM 290 N ASP A 21 22.900 -8.275 -10.305 1.00 0.00 N ATOM 291 CA ASP A 21 23.290 -9.350 -11.267 1.00 0.00 C ATOM 292 C ASP A 21 24.553 -10.120 -10.759 1.00 0.00 C ATOM 293 O ASP A 21 25.638 -10.030 -11.346 1.00 0.00 O ATOM 294 CB ASP A 21 23.473 -8.747 -12.691 1.00 0.00 C ATOM 295 CG ASP A 21 22.285 -8.243 -13.527 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.061 -8.376 -12.929 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.447 -7.777 -14.651 1.00 0.00 O ATOM 0 H ASP A 21 23.684 -7.706 -9.985 1.00 0.00 H new ATOM 0 HA ASP A 21 22.491 -10.089 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.163 -7.909 -12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.978 -9.505 -13.290 1.00 0.00 H new ATOM 302 N GLY A 22 24.412 -10.909 -9.675 1.00 0.00 N ATOM 303 CA GLY A 22 25.466 -11.873 -9.239 1.00 0.00 C ATOM 304 C GLY A 22 26.694 -11.330 -8.468 1.00 0.00 C ATOM 305 O GLY A 22 27.013 -11.826 -7.387 1.00 0.00 O ATOM 0 H GLY A 22 23.583 -10.905 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.988 -12.625 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 25.834 -12.386 -10.128 1.00 0.00 H new ATOM 309 N ASN A 23 27.398 -10.346 -9.045 1.00 0.00 N ATOM 310 CA ASN A 23 28.604 -9.721 -8.425 1.00 0.00 C ATOM 311 C ASN A 23 28.256 -8.677 -7.303 1.00 0.00 C ATOM 312 O ASN A 23 27.095 -8.340 -7.055 1.00 0.00 O ATOM 313 CB ASN A 23 29.480 -9.104 -9.556 1.00 0.00 C ATOM 314 CG ASN A 23 30.080 -10.086 -10.570 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.086 -10.738 -10.314 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.504 -10.225 -11.740 1.00 0.00 N ATOM 0 H ASN A 23 27.158 -9.952 -9.955 1.00 0.00 H new ATOM 0 HA ASN A 23 29.169 -10.497 -7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.874 -8.380 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.297 -8.551 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.894 -10.871 -12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.666 -9.687 -11.963 1.00 0.00 H new ATOM 323 N ASP A 24 29.286 -8.185 -6.596 1.00 0.00 N ATOM 324 CA ASP A 24 29.104 -7.403 -5.335 1.00 0.00 C ATOM 325 C ASP A 24 29.106 -5.854 -5.577 1.00 0.00 C ATOM 326 O ASP A 24 28.030 -5.254 -5.670 1.00 0.00 O ATOM 327 CB ASP A 24 30.114 -7.926 -4.266 1.00 0.00 C ATOM 328 CG ASP A 24 29.935 -9.376 -3.794 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.848 -9.921 -3.624 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.127 -9.991 -3.562 1.00 0.00 O ATOM 0 H ASP A 24 30.262 -8.309 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 24 28.106 -7.571 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.121 -7.823 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.053 -7.275 -3.394 1.00 0.00 H new ATOM 335 N GLY A 25 30.290 -5.217 -5.659 1.00 0.00 N ATOM 336 CA GLY A 25 30.428 -3.734 -5.676 1.00 0.00 C ATOM 337 C GLY A 25 31.151 -3.197 -4.417 1.00 0.00 C ATOM 338 O GLY A 25 32.271 -3.615 -4.112 1.00 0.00 O ATOM 0 H GLY A 25 31.182 -5.709 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 25 30.981 -3.433 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.439 -3.280 -5.746 1.00 0.00 H new ATOM 342 N VAL A 26 30.503 -2.279 -3.688 1.00 0.00 N ATOM 343 CA VAL A 26 30.924 -1.882 -2.299 1.00 0.00 C ATOM 344 C VAL A 26 30.223 -2.789 -1.226 1.00 0.00 C ATOM 345 O VAL A 26 30.905 -3.300 -0.336 1.00 0.00 O ATOM 346 CB VAL A 26 30.715 -0.350 -2.011 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.263 0.098 -0.634 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.331 0.600 -3.066 1.00 0.00 C ATOM 0 H VAL A 26 29.677 -1.783 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 26 31.999 -2.048 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 26 29.629 -0.263 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.085 1.165 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.756 -0.455 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.334 -0.100 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.136 1.634 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.407 0.435 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.884 0.401 -4.040 1.00 0.00 H new ATOM 358 N GLY A 27 28.888 -2.975 -1.289 1.00 0.00 N ATOM 359 CA GLY A 27 28.203 -4.074 -0.563 1.00 0.00 C ATOM 360 C GLY A 27 28.052 -5.407 -1.355 1.00 0.00 C ATOM 361 O GLY A 27 28.393 -5.452 -2.541 1.00 0.00 O ATOM 0 H GLY A 27 28.261 -2.382 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.753 -4.278 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.211 -3.730 -0.271 1.00 0.00 H new ATOM 365 N PRO A 28 27.520 -6.517 -0.770 1.00 0.00 N ATOM 366 CA PRO A 28 27.284 -7.786 -1.519 1.00 0.00 C ATOM 367 C PRO A 28 26.121 -7.739 -2.567 1.00 0.00 C ATOM 368 O PRO A 28 25.354 -6.774 -2.636 1.00 0.00 O ATOM 369 CB PRO A 28 27.030 -8.772 -0.360 1.00 0.00 C ATOM 370 CG PRO A 28 26.395 -7.915 0.731 1.00 0.00 C ATOM 371 CD PRO A 28 27.171 -6.607 0.659 1.00 0.00 C ATOM 0 HA PRO A 28 28.117 -8.054 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.368 -9.583 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.958 -9.230 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.331 -7.760 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.487 -8.382 1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.567 -5.759 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.058 -6.627 1.292 1.00 0.00 H new ATOM 379 N HIS A 29 25.951 -8.806 -3.367 1.00 0.00 N ATOM 380 CA HIS A 29 24.809 -8.905 -4.324 1.00 0.00 C ATOM 381 C HIS A 29 23.410 -8.950 -3.620 1.00 0.00 C ATOM 382 O HIS A 29 23.215 -9.705 -2.657 1.00 0.00 O ATOM 383 CB HIS A 29 25.038 -10.091 -5.307 1.00 0.00 C ATOM 384 CG HIS A 29 24.688 -11.528 -4.882 1.00 0.00 C ATOM 385 ND1 HIS A 29 25.055 -12.121 -3.684 1.00 0.00 N ATOM 386 CD2 HIS A 29 23.988 -12.445 -5.679 1.00 0.00 C ATOM 387 CE1 HIS A 29 24.528 -13.373 -3.882 1.00 0.00 C ATOM 388 NE2 HIS A 29 23.857 -13.658 -5.035 1.00 0.00 N ATOM 0 H HIS A 29 26.578 -9.611 -3.379 1.00 0.00 H new ATOM 0 HA HIS A 29 24.785 -7.985 -4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.471 -9.875 -6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.093 -10.083 -5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.603 -12.230 -6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 29 24.645 -14.133 -3.124 1.00 0.00 H new ATOM 0 HE2 HIS A 29 23.394 -14.516 -5.334 1.00 0.00 H new ATOM 396 N LEU A 30 22.434 -8.155 -4.086 1.00 0.00 N ATOM 397 CA LEU A 30 21.057 -8.172 -3.499 1.00 0.00 C ATOM 398 C LEU A 30 19.975 -8.957 -4.303 1.00 0.00 C ATOM 399 O LEU A 30 18.833 -9.026 -3.841 1.00 0.00 O ATOM 400 CB LEU A 30 20.633 -6.715 -3.183 1.00 0.00 C ATOM 401 CG LEU A 30 21.462 -5.954 -2.113 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.895 -4.536 -1.957 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.524 -6.642 -0.733 1.00 0.00 C ATOM 0 H LEU A 30 22.555 -7.497 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 30 21.119 -8.757 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.671 -6.143 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.592 -6.728 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 30 22.489 -5.940 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.471 -3.994 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.957 -4.012 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.853 -4.593 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.124 -6.038 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.515 -6.747 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.977 -7.628 -0.838 1.00 0.00 H new ATOM 415 N ASN A 31 20.304 -9.602 -5.441 1.00 0.00 N ATOM 416 CA ASN A 31 19.357 -10.482 -6.177 1.00 0.00 C ATOM 417 C ASN A 31 19.146 -11.824 -5.399 1.00 0.00 C ATOM 418 O ASN A 31 20.026 -12.688 -5.338 1.00 0.00 O ATOM 419 CB ASN A 31 19.778 -10.583 -7.668 1.00 0.00 C ATOM 420 CG ASN A 31 21.122 -11.229 -8.015 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.180 -10.625 -7.867 1.00 0.00 O ATOM 422 ND2 ASN A 31 21.124 -12.440 -8.518 1.00 0.00 N ATOM 0 H ASN A 31 21.223 -9.533 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 31 18.356 -10.054 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.000 -11.138 -8.193 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.782 -9.573 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.005 -12.879 -8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 31 20.245 -12.943 -8.641 1.00 0.00 H new ATOM 429 N GLY A 32 18.008 -11.901 -4.686 1.00 0.00 N ATOM 430 CA GLY A 32 17.805 -12.903 -3.610 1.00 0.00 C ATOM 431 C GLY A 32 18.422 -12.578 -2.229 1.00 0.00 C ATOM 432 O GLY A 32 19.123 -13.423 -1.670 1.00 0.00 O ATOM 0 H GLY A 32 17.210 -11.282 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.733 -13.047 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.215 -13.854 -3.950 1.00 0.00 H new ATOM 436 N VAL A 33 18.126 -11.398 -1.657 1.00 0.00 N ATOM 437 CA VAL A 33 18.318 -11.128 -0.189 1.00 0.00 C ATOM 438 C VAL A 33 17.041 -11.378 0.699 1.00 0.00 C ATOM 439 O VAL A 33 17.192 -11.795 1.851 1.00 0.00 O ATOM 440 CB VAL A 33 19.044 -9.763 0.086 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.179 -8.498 -0.094 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.681 -9.713 1.494 1.00 0.00 C ATOM 0 H VAL A 33 17.751 -10.604 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 33 19.008 -11.899 0.154 1.00 0.00 H new ATOM 0 HB VAL A 33 19.810 -9.742 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.779 -7.614 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.815 -8.449 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.331 -8.536 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.171 -8.750 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.905 -9.842 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.416 -10.512 1.589 1.00 0.00 H new ATOM 452 N VAL A 34 15.804 -11.151 0.197 1.00 0.00 N ATOM 453 CA VAL A 34 14.536 -11.460 0.935 1.00 0.00 C ATOM 454 C VAL A 34 14.391 -13.014 1.106 1.00 0.00 C ATOM 455 O VAL A 34 14.172 -13.741 0.132 1.00 0.00 O ATOM 456 CB VAL A 34 13.303 -10.795 0.220 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.941 -11.170 0.853 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.338 -9.247 0.195 1.00 0.00 C ATOM 0 H VAL A 34 15.647 -10.750 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 34 14.573 -11.029 1.936 1.00 0.00 H new ATOM 0 HB VAL A 34 13.390 -11.194 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.138 -10.675 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.802 -12.250 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.923 -10.850 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.452 -8.871 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.356 -8.867 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.231 -8.912 -0.333 1.00 0.00 H new ATOM 468 N GLY A 35 14.566 -13.505 2.343 1.00 0.00 N ATOM 469 CA GLY A 35 14.740 -14.965 2.604 1.00 0.00 C ATOM 470 C GLY A 35 16.164 -15.584 2.544 1.00 0.00 C ATOM 471 O GLY A 35 16.268 -16.809 2.615 1.00 0.00 O ATOM 0 H GLY A 35 14.593 -12.926 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.335 -15.171 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.119 -15.502 1.887 1.00 0.00 H new ATOM 475 N ARG A 36 17.242 -14.786 2.452 1.00 0.00 N ATOM 476 CA ARG A 36 18.642 -15.268 2.625 1.00 0.00 C ATOM 477 C ARG A 36 19.146 -14.982 4.074 1.00 0.00 C ATOM 478 O ARG A 36 18.744 -13.993 4.697 1.00 0.00 O ATOM 479 CB ARG A 36 19.498 -14.532 1.554 1.00 0.00 C ATOM 480 CG ARG A 36 20.976 -14.992 1.422 1.00 0.00 C ATOM 481 CD ARG A 36 21.740 -14.373 0.235 1.00 0.00 C ATOM 482 NE ARG A 36 22.146 -12.959 0.492 1.00 0.00 N ATOM 483 CZ ARG A 36 22.374 -12.043 -0.452 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.993 -12.164 -1.698 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.007 -10.953 -0.130 1.00 0.00 N ATOM 0 H ARG A 36 17.177 -13.787 2.256 1.00 0.00 H new ATOM 0 HA ARG A 36 18.715 -16.347 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.013 -14.654 0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.490 -13.466 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.503 -14.745 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.997 -16.077 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 36 22.628 -14.970 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 36 21.114 -14.412 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 36 22.258 -12.671 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.488 -12.998 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.201 -11.424 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.320 -10.810 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.190 -10.242 -0.838 1.00 0.00 H new ATOM 499 N THR A 37 20.097 -15.790 4.586 1.00 0.00 N ATOM 500 CA THR A 37 20.821 -15.479 5.857 1.00 0.00 C ATOM 501 C THR A 37 21.456 -14.045 5.914 1.00 0.00 C ATOM 502 O THR A 37 21.887 -13.471 4.904 1.00 0.00 O ATOM 503 CB THR A 37 21.864 -16.585 6.208 1.00 0.00 C ATOM 504 OG1 THR A 37 22.290 -16.450 7.558 1.00 0.00 O ATOM 505 CG2 THR A 37 23.147 -16.518 5.378 1.00 0.00 C ATOM 0 H THR A 37 20.388 -16.663 4.147 1.00 0.00 H new ATOM 0 HA THR A 37 20.050 -15.475 6.628 1.00 0.00 H new ATOM 0 HB THR A 37 21.345 -17.522 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.943 -17.150 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.820 -17.320 5.683 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.903 -16.631 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.634 -15.556 5.538 1.00 0.00 H new ATOM 513 N VAL A 38 21.604 -13.535 7.136 1.00 0.00 N ATOM 514 CA VAL A 38 22.446 -12.350 7.419 1.00 0.00 C ATOM 515 C VAL A 38 23.942 -12.815 7.486 1.00 0.00 C ATOM 516 O VAL A 38 24.307 -13.643 8.326 1.00 0.00 O ATOM 517 CB VAL A 38 21.933 -11.630 8.712 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.675 -10.294 8.959 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.406 -11.386 8.757 1.00 0.00 C ATOM 0 H VAL A 38 21.149 -13.923 7.963 1.00 0.00 H new ATOM 0 HA VAL A 38 22.378 -11.605 6.627 1.00 0.00 H new ATOM 0 HB VAL A 38 22.159 -12.335 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.290 -9.826 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.742 -10.486 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.517 -9.628 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.145 -10.883 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.112 -10.762 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.883 -12.341 8.701 1.00 0.00 H new ATOM 529 N ALA A 39 24.761 -12.324 6.532 1.00 0.00 N ATOM 530 CA ALA A 39 26.125 -12.850 6.235 1.00 0.00 C ATOM 531 C ALA A 39 26.136 -14.230 5.503 1.00 0.00 C ATOM 532 O ALA A 39 26.190 -15.287 6.139 1.00 0.00 O ATOM 533 CB ALA A 39 27.088 -12.792 7.434 1.00 0.00 C ATOM 0 H ALA A 39 24.497 -11.541 5.934 1.00 0.00 H new ATOM 0 HA ALA A 39 26.527 -12.146 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.059 -13.191 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.204 -11.758 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.684 -13.386 8.254 1.00 0.00 H new ATOM 581 N PHE A 44 32.357 -12.095 -0.287 1.00 0.00 N ATOM 582 CA PHE A 44 32.288 -10.826 0.490 1.00 0.00 C ATOM 583 C PHE A 44 32.786 -10.977 1.971 1.00 0.00 C ATOM 584 O PHE A 44 32.362 -11.876 2.704 1.00 0.00 O ATOM 585 CB PHE A 44 30.832 -10.280 0.392 1.00 0.00 C ATOM 586 CG PHE A 44 30.714 -8.812 0.836 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.036 -7.787 -0.059 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.438 -8.497 2.171 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.119 -6.471 0.386 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.526 -7.181 2.614 1.00 0.00 C ATOM 591 CZ PHE A 44 30.870 -6.169 1.723 1.00 0.00 C ATOM 0 HA PHE A 44 32.979 -10.103 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.483 -10.373 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.176 -10.895 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.221 -8.017 -1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.155 -9.279 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.377 -5.683 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.327 -6.945 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.944 -5.148 2.068 1.00 0.00 H new ATOM 601 N ASN A 45 33.638 -10.034 2.422 1.00 0.00 N ATOM 602 CA ASN A 45 34.100 -9.958 3.836 1.00 0.00 C ATOM 603 C ASN A 45 33.080 -9.170 4.731 1.00 0.00 C ATOM 604 O ASN A 45 33.000 -7.939 4.680 1.00 0.00 O ATOM 605 CB ASN A 45 35.518 -9.321 3.811 1.00 0.00 C ATOM 606 CG ASN A 45 36.276 -9.375 5.142 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.992 -10.323 5.441 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.143 -8.378 5.983 1.00 0.00 N ATOM 0 H ASN A 45 34.027 -9.304 1.825 1.00 0.00 H new ATOM 0 HA ASN A 45 34.155 -10.947 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.113 -9.826 3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.426 -8.279 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.633 -8.396 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.549 -7.584 5.743 1.00 0.00 H new ATOM 615 N TYR A 46 32.323 -9.895 5.568 1.00 0.00 N ATOM 616 CA TYR A 46 31.271 -9.302 6.447 1.00 0.00 C ATOM 617 C TYR A 46 31.803 -8.788 7.830 1.00 0.00 C ATOM 618 O TYR A 46 32.849 -9.231 8.317 1.00 0.00 O ATOM 619 CB TYR A 46 30.166 -10.393 6.618 1.00 0.00 C ATOM 620 CG TYR A 46 29.234 -10.563 5.403 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.151 -9.695 5.239 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.452 -11.570 4.456 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.294 -9.832 4.151 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.594 -11.706 3.365 1.00 0.00 C ATOM 625 CZ TYR A 46 27.508 -10.846 3.222 1.00 0.00 C ATOM 626 OH TYR A 46 26.625 -11.043 2.194 1.00 0.00 O ATOM 0 H TYR A 46 32.412 -10.907 5.664 1.00 0.00 H new ATOM 0 HA TYR A 46 30.877 -8.402 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.647 -11.349 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.561 -10.144 7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.978 -8.912 5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.288 -12.244 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.464 -9.152 4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.772 -12.478 2.631 1.00 0.00 H new ATOM 0 HH TYR A 46 26.930 -11.792 1.640 1.00 0.00 H new ATOM 636 N SER A 47 31.063 -7.870 8.497 1.00 0.00 N ATOM 637 CA SER A 47 31.404 -7.418 9.877 1.00 0.00 C ATOM 638 C SER A 47 31.171 -8.507 10.975 1.00 0.00 C ATOM 639 O SER A 47 30.357 -9.419 10.800 1.00 0.00 O ATOM 640 CB SER A 47 30.653 -6.092 10.184 1.00 0.00 C ATOM 641 OG SER A 47 29.313 -6.260 10.653 1.00 0.00 O ATOM 0 H SER A 47 30.230 -7.427 8.109 1.00 0.00 H new ATOM 0 HA SER A 47 32.478 -7.235 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.218 -5.535 10.931 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.634 -5.483 9.280 1.00 0.00 H new ATOM 0 HG SER A 47 28.979 -5.407 11.002 1.00 0.00 H new ATOM 647 N ASP A 48 31.852 -8.392 12.134 1.00 0.00 N ATOM 648 CA ASP A 48 31.636 -9.318 13.288 1.00 0.00 C ATOM 649 C ASP A 48 30.151 -9.435 13.809 1.00 0.00 C ATOM 650 O ASP A 48 29.682 -10.575 13.876 1.00 0.00 O ATOM 651 CB ASP A 48 32.649 -8.985 14.421 1.00 0.00 C ATOM 652 CG ASP A 48 33.145 -10.208 15.188 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.153 -10.855 14.530 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.681 -10.561 16.267 1.00 0.00 O ATOM 0 H ASP A 48 32.555 -7.673 12.305 1.00 0.00 H new ATOM 0 HA ASP A 48 31.828 -10.322 12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.506 -8.468 13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.180 -8.294 15.122 1.00 0.00 H new ATOM 659 N PRO A 49 29.365 -8.360 14.128 1.00 0.00 N ATOM 660 CA PRO A 49 27.919 -8.494 14.459 1.00 0.00 C ATOM 661 C PRO A 49 26.938 -8.809 13.277 1.00 0.00 C ATOM 662 O PRO A 49 25.866 -9.357 13.539 1.00 0.00 O ATOM 663 CB PRO A 49 27.652 -7.166 15.186 1.00 0.00 C ATOM 664 CG PRO A 49 28.600 -6.161 14.536 1.00 0.00 C ATOM 665 CD PRO A 49 29.823 -6.957 14.089 1.00 0.00 C ATOM 0 HA PRO A 49 27.716 -9.384 15.054 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.613 -6.857 15.074 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.845 -7.256 16.255 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.124 -5.669 13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.881 -5.379 15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.144 -6.669 13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.671 -6.795 14.754 1.00 0.00 H new ATOM 673 N MET A 50 27.287 -8.540 11.997 1.00 0.00 N ATOM 674 CA MET A 50 26.593 -9.174 10.835 1.00 0.00 C ATOM 675 C MET A 50 26.842 -10.717 10.708 1.00 0.00 C ATOM 676 O MET A 50 25.885 -11.482 10.568 1.00 0.00 O ATOM 677 CB MET A 50 26.931 -8.398 9.529 1.00 0.00 C ATOM 678 CG MET A 50 25.935 -8.690 8.385 1.00 0.00 C ATOM 679 SD MET A 50 26.122 -7.544 7.012 1.00 0.00 S ATOM 680 CE MET A 50 25.039 -6.221 7.562 1.00 0.00 C ATOM 0 H MET A 50 28.035 -7.897 11.737 1.00 0.00 H new ATOM 0 HA MET A 50 25.521 -9.096 11.017 1.00 0.00 H new ATOM 0 HB2 MET A 50 26.934 -7.328 9.738 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.938 -8.662 9.205 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.083 -9.709 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 50 24.916 -8.631 8.769 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.967 -5.462 6.783 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.048 -6.624 7.768 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.444 -5.773 8.469 1.00 0.00 H new ATOM 690 N LYS A 51 28.108 -11.169 10.786 1.00 0.00 N ATOM 691 CA LYS A 51 28.471 -12.613 10.807 1.00 0.00 C ATOM 692 C LYS A 51 27.988 -13.430 12.054 1.00 0.00 C ATOM 693 O LYS A 51 27.528 -14.563 11.889 1.00 0.00 O ATOM 694 CB LYS A 51 29.998 -12.692 10.526 1.00 0.00 C ATOM 695 CG LYS A 51 30.461 -14.019 9.891 1.00 0.00 C ATOM 696 CD LYS A 51 31.968 -14.017 9.569 1.00 0.00 C ATOM 697 CE LYS A 51 32.409 -15.302 8.852 1.00 0.00 C ATOM 698 NZ LYS A 51 33.846 -15.229 8.527 1.00 0.00 N ATOM 0 H LYS A 51 28.915 -10.548 10.837 1.00 0.00 H new ATOM 0 HA LYS A 51 27.912 -13.129 10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.277 -11.871 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 51 30.536 -12.544 11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.238 -14.842 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.896 -14.198 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.203 -13.155 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.535 -13.905 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.214 -16.167 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.828 -15.438 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.137 -16.102 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.020 -14.413 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.395 -15.120 9.404 1.00 0.00 H new ATOM 711 N ALA A 52 28.017 -12.853 13.270 1.00 0.00 N ATOM 712 CA ALA A 52 27.299 -13.410 14.451 1.00 0.00 C ATOM 713 C ALA A 52 25.727 -13.370 14.458 1.00 0.00 C ATOM 714 O ALA A 52 25.130 -14.073 15.277 1.00 0.00 O ATOM 715 CB ALA A 52 27.883 -12.682 15.677 1.00 0.00 C ATOM 0 H ALA A 52 28.531 -11.995 13.469 1.00 0.00 H new ATOM 0 HA ALA A 52 27.470 -14.486 14.442 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.397 -13.046 16.582 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.954 -12.874 15.738 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.712 -11.610 15.579 1.00 0.00 H new ATOM 721 N HIS A 53 25.048 -12.606 13.573 1.00 0.00 N ATOM 722 CA HIS A 53 23.562 -12.657 13.417 1.00 0.00 C ATOM 723 C HIS A 53 23.056 -14.011 12.808 1.00 0.00 C ATOM 724 O HIS A 53 22.329 -14.742 13.487 1.00 0.00 O ATOM 725 CB HIS A 53 23.119 -11.377 12.642 1.00 0.00 C ATOM 726 CG HIS A 53 21.620 -11.029 12.608 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.588 -11.918 12.325 1.00 0.00 N ATOM 728 CD2 HIS A 53 21.112 -9.721 12.711 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.530 -11.046 12.308 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.742 -9.711 12.522 1.00 0.00 N ATOM 0 H HIS A 53 25.502 -11.940 12.948 1.00 0.00 H new ATOM 0 HA HIS A 53 23.077 -12.646 14.393 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.648 -10.527 13.073 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.461 -11.477 11.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.710 -8.844 12.910 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.530 -11.412 12.126 1.00 0.00 H new ATOM 0 HE2 HIS A 53 19.081 -8.934 12.538 1.00 0.00 H new ATOM 738 N GLY A 54 23.409 -14.342 11.548 1.00 0.00 N ATOM 739 CA GLY A 54 22.874 -15.548 10.859 1.00 0.00 C ATOM 740 C GLY A 54 21.380 -15.442 10.472 1.00 0.00 C ATOM 741 O GLY A 54 20.972 -14.477 9.825 1.00 0.00 O ATOM 0 H GLY A 54 24.060 -13.796 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.460 -15.729 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.010 -16.414 11.507 1.00 0.00 H new ATOM 745 N GLY A 55 20.559 -16.430 10.857 1.00 0.00 N ATOM 746 CA GLY A 55 19.075 -16.335 10.738 1.00 0.00 C ATOM 747 C GLY A 55 18.526 -16.124 9.309 1.00 0.00 C ATOM 748 O GLY A 55 18.854 -16.904 8.413 1.00 0.00 O ATOM 0 H GLY A 55 20.887 -17.310 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.638 -17.247 11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.731 -15.511 11.364 1.00 0.00 H new ATOM 752 N ASP A 56 17.731 -15.058 9.095 1.00 0.00 N ATOM 753 CA ASP A 56 17.347 -14.605 7.730 1.00 0.00 C ATOM 754 C ASP A 56 16.985 -13.090 7.660 1.00 0.00 C ATOM 755 O ASP A 56 16.410 -12.504 8.584 1.00 0.00 O ATOM 756 CB ASP A 56 16.150 -15.426 7.160 1.00 0.00 C ATOM 757 CG ASP A 56 16.479 -16.811 6.612 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.134 -17.003 5.594 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.965 -17.810 7.379 1.00 0.00 O ATOM 0 H ASP A 56 17.338 -14.490 9.846 1.00 0.00 H new ATOM 0 HA ASP A 56 18.236 -14.774 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.406 -15.538 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.685 -14.845 6.364 1.00 0.00 H new ATOM 764 N TRP A 57 17.209 -12.500 6.469 1.00 0.00 N ATOM 765 CA TRP A 57 16.572 -11.222 6.065 1.00 0.00 C ATOM 766 C TRP A 57 15.108 -11.424 5.559 1.00 0.00 C ATOM 767 O TRP A 57 14.839 -11.545 4.362 1.00 0.00 O ATOM 768 CB TRP A 57 17.477 -10.500 5.019 1.00 0.00 C ATOM 769 CG TRP A 57 18.659 -9.691 5.574 1.00 0.00 C ATOM 770 CD1 TRP A 57 20.001 -9.839 5.160 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.691 -8.782 6.627 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.873 -9.067 5.951 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.046 -8.463 6.879 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.671 -8.293 7.492 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.401 -7.768 8.055 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.045 -7.584 8.630 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.391 -7.346 8.919 1.00 0.00 C ATOM 0 H TRP A 57 17.832 -12.890 5.761 1.00 0.00 H new ATOM 0 HA TRP A 57 16.484 -10.581 6.942 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.870 -11.250 4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.850 -9.829 4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.318 -10.466 4.340 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.885 -8.975 5.860 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.629 -8.469 7.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.437 -7.566 8.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.283 -7.212 9.299 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.654 -6.826 9.828 1.00 0.00 H new ATOM 788 N THR A 58 14.152 -11.414 6.499 1.00 0.00 N ATOM 789 CA THR A 58 12.689 -11.434 6.196 1.00 0.00 C ATOM 790 C THR A 58 12.151 -10.058 5.645 1.00 0.00 C ATOM 791 O THR A 58 12.758 -9.021 5.953 1.00 0.00 O ATOM 792 CB THR A 58 11.899 -11.861 7.481 1.00 0.00 C ATOM 793 OG1 THR A 58 12.132 -10.970 8.568 1.00 0.00 O ATOM 794 CG2 THR A 58 12.188 -13.283 7.991 1.00 0.00 C ATOM 0 H THR A 58 14.358 -11.392 7.498 1.00 0.00 H new ATOM 0 HA THR A 58 12.530 -12.161 5.399 1.00 0.00 H new ATOM 0 HB THR A 58 10.862 -11.829 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.622 -11.268 9.350 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.592 -13.478 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.931 -14.006 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.246 -13.374 8.236 1.00 0.00 H new ATOM 802 N PRO A 59 10.998 -9.951 4.904 1.00 0.00 N ATOM 803 CA PRO A 59 10.384 -8.627 4.551 1.00 0.00 C ATOM 804 C PRO A 59 9.664 -7.892 5.747 1.00 0.00 C ATOM 805 O PRO A 59 8.472 -7.577 5.733 1.00 0.00 O ATOM 806 CB PRO A 59 9.473 -9.050 3.381 1.00 0.00 C ATOM 807 CG PRO A 59 9.018 -10.473 3.713 1.00 0.00 C ATOM 808 CD PRO A 59 10.220 -11.110 4.414 1.00 0.00 C ATOM 0 HA PRO A 59 11.102 -7.850 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.621 -8.378 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.011 -9.021 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.140 -10.468 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.748 -11.023 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.908 -11.758 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.805 -11.723 3.728 1.00 0.00 H new ATOM 816 N GLU A 60 10.455 -7.638 6.796 1.00 0.00 N ATOM 817 CA GLU A 60 9.997 -7.362 8.187 1.00 0.00 C ATOM 818 C GLU A 60 11.274 -6.967 9.007 1.00 0.00 C ATOM 819 O GLU A 60 11.416 -5.800 9.385 1.00 0.00 O ATOM 820 CB GLU A 60 9.195 -8.562 8.781 1.00 0.00 C ATOM 821 CG GLU A 60 8.608 -8.326 10.194 1.00 0.00 C ATOM 822 CD GLU A 60 7.872 -9.545 10.747 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.578 -9.606 10.314 1.00 0.00 O ATOM 824 OE2 GLU A 60 8.397 -10.371 11.486 1.00 0.00 O ATOM 0 H GLU A 60 11.471 -7.615 6.710 1.00 0.00 H new ATOM 0 HA GLU A 60 9.284 -6.538 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.378 -8.805 8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.849 -9.433 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.414 -8.056 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.922 -7.479 10.160 1.00 0.00 H new ATOM 831 N ALA A 61 12.254 -7.888 9.185 1.00 0.00 N ATOM 832 CA ALA A 61 13.653 -7.520 9.540 1.00 0.00 C ATOM 833 C ALA A 61 14.361 -6.538 8.542 1.00 0.00 C ATOM 834 O ALA A 61 14.928 -5.542 8.996 1.00 0.00 O ATOM 835 CB ALA A 61 14.437 -8.832 9.741 1.00 0.00 C ATOM 0 H ALA A 61 12.104 -8.892 9.089 1.00 0.00 H new ATOM 0 HA ALA A 61 13.628 -6.936 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.470 -8.602 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.979 -9.410 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.417 -9.413 8.819 1.00 0.00 H new ATOM 841 N LEU A 62 14.261 -6.743 7.207 1.00 0.00 N ATOM 842 CA LEU A 62 14.601 -5.693 6.196 1.00 0.00 C ATOM 843 C LEU A 62 13.785 -4.360 6.273 1.00 0.00 C ATOM 844 O LEU A 62 14.359 -3.313 5.992 1.00 0.00 O ATOM 845 CB LEU A 62 14.475 -6.242 4.752 1.00 0.00 C ATOM 846 CG LEU A 62 15.451 -7.361 4.310 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.971 -7.989 2.997 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.877 -6.814 4.119 1.00 0.00 C ATOM 0 H LEU A 62 13.948 -7.623 6.797 1.00 0.00 H new ATOM 0 HA LEU A 62 15.630 -5.440 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.459 -6.616 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.595 -5.404 4.065 1.00 0.00 H new ATOM 0 HG LEU A 62 15.470 -8.116 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.664 -8.774 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.978 -8.416 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.929 -7.224 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.538 -7.623 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.870 -6.038 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.234 -6.393 5.059 1.00 0.00 H new ATOM 860 N GLN A 63 12.489 -4.357 6.643 1.00 0.00 N ATOM 861 CA GLN A 63 11.731 -3.092 6.913 1.00 0.00 C ATOM 862 C GLN A 63 12.328 -2.221 8.076 1.00 0.00 C ATOM 863 O GLN A 63 12.510 -1.010 7.914 1.00 0.00 O ATOM 864 CB GLN A 63 10.228 -3.402 7.184 1.00 0.00 C ATOM 865 CG GLN A 63 9.404 -4.078 6.054 1.00 0.00 C ATOM 866 CD GLN A 63 8.918 -3.180 4.911 1.00 0.00 C ATOM 867 OE1 GLN A 63 9.037 -1.961 4.905 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.313 -3.757 3.905 1.00 0.00 N ATOM 0 H GLN A 63 11.936 -5.206 6.765 1.00 0.00 H new ATOM 0 HA GLN A 63 11.828 -2.491 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.173 -4.042 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.735 -2.464 7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.010 -4.875 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.532 -4.550 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.203 -4.771 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.951 -3.193 3.136 1.00 0.00 H new ATOM 877 N GLU A 64 12.668 -2.846 9.220 1.00 0.00 N ATOM 878 CA GLU A 64 13.422 -2.193 10.327 1.00 0.00 C ATOM 879 C GLU A 64 14.909 -1.846 9.971 1.00 0.00 C ATOM 880 O GLU A 64 15.343 -0.721 10.221 1.00 0.00 O ATOM 881 CB GLU A 64 13.339 -3.110 11.582 1.00 0.00 C ATOM 882 CG GLU A 64 11.928 -3.336 12.185 1.00 0.00 C ATOM 883 CD GLU A 64 11.910 -4.376 13.303 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.239 -3.838 14.514 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.636 -5.559 13.119 1.00 0.00 O ATOM 0 H GLU A 64 12.431 -3.820 9.410 1.00 0.00 H new ATOM 0 HA GLU A 64 12.956 -1.227 10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.758 -4.082 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.977 -2.685 12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.550 -2.390 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.248 -3.651 11.394 1.00 0.00 H new ATOM 892 N PHE A 65 15.672 -2.780 9.369 1.00 0.00 N ATOM 893 CA PHE A 65 17.064 -2.538 8.892 1.00 0.00 C ATOM 894 C PHE A 65 17.191 -1.492 7.747 1.00 0.00 C ATOM 895 O PHE A 65 17.991 -0.569 7.885 1.00 0.00 O ATOM 896 CB PHE A 65 17.640 -3.927 8.532 1.00 0.00 C ATOM 897 CG PHE A 65 19.083 -4.010 8.012 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.175 -3.815 8.865 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.304 -4.485 6.716 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.461 -4.147 8.445 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.584 -4.847 6.318 1.00 0.00 C ATOM 902 CZ PHE A 65 21.656 -4.714 7.190 1.00 0.00 C ATOM 0 H PHE A 65 15.346 -3.731 9.195 1.00 0.00 H new ATOM 0 HA PHE A 65 17.648 -2.065 9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.571 -4.555 9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.990 -4.370 7.778 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.020 -3.406 9.852 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.479 -4.570 6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.305 -3.964 9.093 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.747 -5.235 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.639 -5.050 6.895 1.00 0.00 H new ATOM 912 N LEU A 66 16.393 -1.552 6.664 1.00 0.00 N ATOM 913 CA LEU A 66 16.300 -0.415 5.702 1.00 0.00 C ATOM 914 C LEU A 66 15.774 0.942 6.284 1.00 0.00 C ATOM 915 O LEU A 66 16.169 1.976 5.751 1.00 0.00 O ATOM 916 CB LEU A 66 15.545 -0.841 4.413 1.00 0.00 C ATOM 917 CG LEU A 66 16.170 -1.982 3.561 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.325 -2.230 2.299 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.633 -1.711 3.161 1.00 0.00 C ATOM 0 H LEU A 66 15.810 -2.355 6.428 1.00 0.00 H new ATOM 0 HA LEU A 66 17.334 -0.183 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.538 -1.146 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.443 0.038 3.776 1.00 0.00 H new ATOM 0 HG LEU A 66 16.172 -2.871 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.774 -3.031 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.314 -2.515 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.288 -1.319 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.009 -2.545 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.686 -0.795 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.241 -1.601 4.059 1.00 0.00 H new ATOM 931 N THR A 67 14.990 0.979 7.382 1.00 0.00 N ATOM 932 CA THR A 67 14.778 2.233 8.180 1.00 0.00 C ATOM 933 C THR A 67 16.035 2.761 8.963 1.00 0.00 C ATOM 934 O THR A 67 16.181 3.977 9.103 1.00 0.00 O ATOM 935 CB THR A 67 13.587 2.108 9.189 1.00 0.00 C ATOM 936 OG1 THR A 67 12.466 1.428 8.641 1.00 0.00 O ATOM 937 CG2 THR A 67 13.043 3.481 9.638 1.00 0.00 C ATOM 0 H THR A 67 14.491 0.167 7.745 1.00 0.00 H new ATOM 0 HA THR A 67 14.550 2.966 7.407 1.00 0.00 H new ATOM 0 HB THR A 67 14.017 1.554 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.623 0.461 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.219 3.335 10.337 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.837 4.045 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.688 4.034 8.768 1.00 0.00 H new ATOM 945 N ASN A 68 16.873 1.888 9.555 1.00 0.00 N ATOM 946 CA ASN A 68 17.982 2.293 10.456 1.00 0.00 C ATOM 947 C ASN A 68 19.008 1.097 10.502 1.00 0.00 C ATOM 948 O ASN A 68 18.896 0.242 11.388 1.00 0.00 O ATOM 949 CB ASN A 68 17.421 2.775 11.825 1.00 0.00 C ATOM 950 CG ASN A 68 18.349 3.770 12.525 1.00 0.00 C ATOM 951 OD1 ASN A 68 19.458 3.455 12.939 1.00 0.00 O ATOM 952 ND2 ASN A 68 17.942 5.011 12.636 1.00 0.00 N ATOM 0 H ASN A 68 16.804 0.879 9.425 1.00 0.00 H new ATOM 0 HA ASN A 68 18.531 3.161 10.092 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.447 3.239 11.671 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.264 1.913 12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.548 5.710 13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.019 5.278 12.293 1.00 0.00 H new ATOM 959 N PRO A 69 19.999 0.968 9.563 1.00 0.00 N ATOM 960 CA PRO A 69 20.875 -0.238 9.449 1.00 0.00 C ATOM 961 C PRO A 69 21.732 -0.631 10.681 1.00 0.00 C ATOM 962 O PRO A 69 21.779 -1.806 11.057 1.00 0.00 O ATOM 963 CB PRO A 69 21.721 0.062 8.191 1.00 0.00 C ATOM 964 CG PRO A 69 20.879 1.030 7.363 1.00 0.00 C ATOM 965 CD PRO A 69 20.113 1.849 8.391 1.00 0.00 C ATOM 0 HA PRO A 69 20.259 -1.135 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.681 0.504 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.935 -0.850 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.506 1.665 6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.201 0.496 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.642 2.769 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.131 2.137 8.015 1.00 0.00 H new ATOM 973 N LYS A 70 22.353 0.367 11.327 1.00 0.00 N ATOM 974 CA LYS A 70 23.024 0.167 12.646 1.00 0.00 C ATOM 975 C LYS A 70 22.113 0.091 13.928 1.00 0.00 C ATOM 976 O LYS A 70 22.625 -0.199 15.010 1.00 0.00 O ATOM 977 CB LYS A 70 24.212 1.155 12.778 1.00 0.00 C ATOM 978 CG LYS A 70 23.840 2.648 12.905 1.00 0.00 C ATOM 979 CD LYS A 70 25.035 3.586 13.180 1.00 0.00 C ATOM 980 CE LYS A 70 26.000 3.740 11.991 1.00 0.00 C ATOM 981 NZ LYS A 70 27.090 4.672 12.341 1.00 0.00 N ATOM 0 H LYS A 70 22.411 1.321 10.970 1.00 0.00 H new ATOM 0 HA LYS A 70 23.395 -0.858 12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.799 0.872 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.857 1.035 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.349 2.966 11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.113 2.761 13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.655 4.570 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.590 3.207 14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.414 2.769 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.460 4.110 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.736 4.770 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.689 5.602 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.614 4.302 13.160 1.00 0.00 H new ATOM 994 N ALA A 71 20.784 0.288 13.836 1.00 0.00 N ATOM 995 CA ALA A 71 19.830 -0.141 14.896 1.00 0.00 C ATOM 996 C ALA A 71 19.550 -1.681 14.937 1.00 0.00 C ATOM 997 O ALA A 71 19.549 -2.265 16.022 1.00 0.00 O ATOM 998 CB ALA A 71 18.541 0.672 14.691 1.00 0.00 C ATOM 0 H ALA A 71 20.338 0.742 13.039 1.00 0.00 H new ATOM 0 HA ALA A 71 20.278 0.057 15.870 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.809 0.391 15.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.764 1.735 14.779 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.135 0.467 13.700 1.00 0.00 H new ATOM 1004 N VAL A 72 19.330 -2.338 13.777 1.00 0.00 N ATOM 1005 CA VAL A 72 19.206 -3.825 13.692 1.00 0.00 C ATOM 1006 C VAL A 72 20.610 -4.533 13.743 1.00 0.00 C ATOM 1007 O VAL A 72 20.789 -5.425 14.576 1.00 0.00 O ATOM 1008 CB VAL A 72 18.297 -4.218 12.470 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.258 -5.733 12.174 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.819 -3.765 12.588 1.00 0.00 C ATOM 0 H VAL A 72 19.233 -1.866 12.878 1.00 0.00 H new ATOM 0 HA VAL A 72 18.695 -4.205 14.577 1.00 0.00 H new ATOM 0 HB VAL A 72 18.788 -3.680 11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.610 -5.920 11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.265 -6.086 11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.872 -6.264 13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.270 -4.080 11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.369 -4.217 13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.777 -2.679 12.674 1.00 0.00 H new ATOM 1020 N VAL A 73 21.586 -4.177 12.879 1.00 0.00 N ATOM 1021 CA VAL A 73 22.973 -4.746 12.949 1.00 0.00 C ATOM 1022 C VAL A 73 23.925 -3.629 13.486 1.00 0.00 C ATOM 1023 O VAL A 73 24.557 -2.907 12.706 1.00 0.00 O ATOM 1024 CB VAL A 73 23.464 -5.328 11.579 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.846 -6.009 11.690 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.520 -6.367 10.938 1.00 0.00 C ATOM 0 H VAL A 73 21.452 -3.503 12.125 1.00 0.00 H new ATOM 0 HA VAL A 73 22.975 -5.598 13.629 1.00 0.00 H new ATOM 0 HB VAL A 73 23.500 -4.442 10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.141 -6.395 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.584 -5.282 12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.790 -6.831 12.404 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.944 -6.711 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.400 -7.215 11.613 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.548 -5.910 10.753 1.00 0.00 H new ATOM 1036 N LYS A 74 24.055 -3.499 14.817 1.00 0.00 N ATOM 1037 CA LYS A 74 24.892 -2.433 15.440 1.00 0.00 C ATOM 1038 C LYS A 74 26.418 -2.752 15.293 1.00 0.00 C ATOM 1039 O LYS A 74 26.955 -3.662 15.930 1.00 0.00 O ATOM 1040 CB LYS A 74 24.388 -2.262 16.896 1.00 0.00 C ATOM 1041 CG LYS A 74 24.895 -0.987 17.604 1.00 0.00 C ATOM 1042 CD LYS A 74 24.185 -0.761 18.952 1.00 0.00 C ATOM 1043 CE LYS A 74 24.700 0.495 19.671 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.989 0.675 20.951 1.00 0.00 N ATOM 0 H LYS A 74 23.596 -4.113 15.490 1.00 0.00 H new ATOM 0 HA LYS A 74 24.787 -1.474 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.298 -2.250 16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.695 -3.131 17.478 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.970 -1.065 17.768 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.733 -0.124 16.958 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.112 -0.669 18.785 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.335 -1.631 19.591 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.771 0.407 19.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.554 1.371 19.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.345 1.527 21.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.970 0.779 20.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.150 -0.155 21.557 1.00 0.00 H new ATOM 1057 N GLY A 75 27.076 -2.033 14.370 1.00 0.00 N ATOM 1058 CA GLY A 75 28.366 -2.472 13.762 1.00 0.00 C ATOM 1059 C GLY A 75 28.299 -3.129 12.354 1.00 0.00 C ATOM 1060 O GLY A 75 29.071 -4.045 12.056 1.00 0.00 O ATOM 0 H GLY A 75 26.741 -1.136 14.019 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.023 -1.604 13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.837 -3.180 14.444 1.00 0.00 H new ATOM 1064 N THR A 76 27.441 -2.623 11.455 1.00 0.00 N ATOM 1065 CA THR A 76 27.501 -2.907 10.001 1.00 0.00 C ATOM 1066 C THR A 76 28.583 -2.022 9.299 1.00 0.00 C ATOM 1067 O THR A 76 28.686 -0.818 9.557 1.00 0.00 O ATOM 1068 CB THR A 76 26.058 -2.725 9.423 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.033 -3.160 8.071 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.424 -1.320 9.432 1.00 0.00 C ATOM 0 H THR A 76 26.677 -1.999 11.713 1.00 0.00 H new ATOM 0 HA THR A 76 27.819 -3.932 9.810 1.00 0.00 H new ATOM 0 HB THR A 76 25.463 -3.315 10.119 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.130 -3.048 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.426 -1.369 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.356 -0.958 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.042 -0.638 8.847 1.00 0.00 H new ATOM 1078 N LYS A 77 29.324 -2.586 8.329 1.00 0.00 N ATOM 1079 CA LYS A 77 30.039 -1.759 7.301 1.00 0.00 C ATOM 1080 C LYS A 77 29.125 -0.978 6.275 1.00 0.00 C ATOM 1081 O LYS A 77 29.659 -0.311 5.383 1.00 0.00 O ATOM 1082 CB LYS A 77 31.083 -2.666 6.570 1.00 0.00 C ATOM 1083 CG LYS A 77 32.494 -2.758 7.195 1.00 0.00 C ATOM 1084 CD LYS A 77 32.611 -3.761 8.357 1.00 0.00 C ATOM 1085 CE LYS A 77 34.029 -3.963 8.918 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.482 -2.803 9.712 1.00 0.00 N ATOM 0 H LYS A 77 29.452 -3.592 8.223 1.00 0.00 H new ATOM 0 HA LYS A 77 30.529 -0.953 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.673 -3.674 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.189 -2.304 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.205 -3.037 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.785 -1.770 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 77 31.963 -3.428 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.231 -4.726 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.048 -4.858 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.723 -4.132 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.442 -2.981 10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.489 -1.953 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 33.835 -2.656 10.513 1.00 0.00 H new ATOM 1099 N MET A 78 27.778 -1.019 6.387 1.00 0.00 N ATOM 1100 CA MET A 78 26.863 -0.293 5.473 1.00 0.00 C ATOM 1101 C MET A 78 26.774 1.217 5.858 1.00 0.00 C ATOM 1102 O MET A 78 26.073 1.593 6.805 1.00 0.00 O ATOM 1103 CB MET A 78 25.500 -1.044 5.441 1.00 0.00 C ATOM 1104 CG MET A 78 24.436 -0.379 4.541 1.00 0.00 C ATOM 1105 SD MET A 78 23.341 -1.553 3.639 1.00 0.00 S ATOM 1106 CE MET A 78 21.779 -0.659 4.014 1.00 0.00 C ATOM 0 H MET A 78 27.295 -1.553 7.109 1.00 0.00 H new ATOM 0 HA MET A 78 27.246 -0.287 4.452 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.667 -2.064 5.095 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.111 -1.112 6.457 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.816 0.273 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.942 0.256 3.813 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.940 -1.188 3.563 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.638 -0.610 5.094 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.832 0.351 3.608 1.00 0.00 H new ATOM 1116 N ALA A 79 27.454 2.084 5.081 1.00 0.00 N ATOM 1117 CA ALA A 79 27.365 3.559 5.254 1.00 0.00 C ATOM 1118 C ALA A 79 26.055 4.171 4.646 1.00 0.00 C ATOM 1119 O ALA A 79 26.049 4.861 3.623 1.00 0.00 O ATOM 1120 CB ALA A 79 28.673 4.141 4.683 1.00 0.00 C ATOM 0 H ALA A 79 28.074 1.793 4.325 1.00 0.00 H new ATOM 0 HA ALA A 79 27.277 3.828 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.663 5.226 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.522 3.733 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.760 3.875 3.629 1.00 0.00 H new ATOM 1126 N PHE A 80 24.934 3.886 5.324 1.00 0.00 N ATOM 1127 CA PHE A 80 23.572 4.285 4.897 1.00 0.00 C ATOM 1128 C PHE A 80 22.751 4.640 6.177 1.00 0.00 C ATOM 1129 O PHE A 80 22.686 3.860 7.135 1.00 0.00 O ATOM 1130 CB PHE A 80 22.958 3.124 4.066 1.00 0.00 C ATOM 1131 CG PHE A 80 21.604 3.432 3.416 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.537 4.191 2.243 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.421 2.964 3.998 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.304 4.481 1.664 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.190 3.258 3.424 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.135 4.017 2.261 1.00 0.00 C ATOM 0 H PHE A 80 24.941 3.363 6.200 1.00 0.00 H new ATOM 0 HA PHE A 80 23.574 5.167 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.664 2.846 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.843 2.256 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.445 4.554 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.465 2.370 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.255 5.063 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.280 2.898 3.880 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.178 4.249 1.817 1.00 0.00 H new ATOM 1146 N ALA A 81 22.106 5.816 6.188 1.00 0.00 N ATOM 1147 CA ALA A 81 21.322 6.286 7.363 1.00 0.00 C ATOM 1148 C ALA A 81 19.907 5.652 7.558 1.00 0.00 C ATOM 1149 O ALA A 81 19.493 5.446 8.703 1.00 0.00 O ATOM 1150 CB ALA A 81 21.249 7.822 7.252 1.00 0.00 C ATOM 0 H ALA A 81 22.106 6.466 5.402 1.00 0.00 H new ATOM 0 HA ALA A 81 21.841 5.951 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.682 8.221 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.257 8.236 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.756 8.096 6.319 1.00 0.00 H new ATOM 1156 N GLY A 82 19.164 5.380 6.470 1.00 0.00 N ATOM 1157 CA GLY A 82 17.741 4.972 6.571 1.00 0.00 C ATOM 1158 C GLY A 82 16.800 5.453 5.447 1.00 0.00 C ATOM 1159 O GLY A 82 16.839 6.607 5.015 1.00 0.00 O ATOM 0 H GLY A 82 19.517 5.433 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.701 3.883 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.350 5.336 7.521 1.00 0.00 H new ATOM 1163 N LEU A 83 15.871 4.572 5.055 1.00 0.00 N ATOM 1164 CA LEU A 83 14.702 4.927 4.212 1.00 0.00 C ATOM 1165 C LEU A 83 13.505 5.445 5.084 1.00 0.00 C ATOM 1166 O LEU A 83 13.061 4.700 5.966 1.00 0.00 O ATOM 1167 CB LEU A 83 14.267 3.712 3.348 1.00 0.00 C ATOM 1168 CG LEU A 83 15.184 3.363 2.151 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.638 2.148 1.402 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.291 4.514 1.141 1.00 0.00 C ATOM 0 H LEU A 83 15.901 3.585 5.311 1.00 0.00 H new ATOM 0 HA LEU A 83 15.001 5.737 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.200 2.837 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.264 3.904 2.967 1.00 0.00 H new ATOM 0 HG LEU A 83 16.170 3.161 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.293 1.914 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.594 1.294 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.637 2.369 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.945 4.219 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.301 4.748 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.703 5.394 1.635 1.00 0.00 H new ATOM 1182 N PRO A 84 12.943 6.674 4.890 1.00 0.00 N ATOM 1183 CA PRO A 84 12.043 7.312 5.895 1.00 0.00 C ATOM 1184 C PRO A 84 10.539 6.894 5.884 1.00 0.00 C ATOM 1185 O PRO A 84 9.968 6.706 6.963 1.00 0.00 O ATOM 1186 CB PRO A 84 12.271 8.807 5.588 1.00 0.00 C ATOM 1187 CG PRO A 84 12.553 8.870 4.082 1.00 0.00 C ATOM 1188 CD PRO A 84 13.333 7.586 3.794 1.00 0.00 C ATOM 0 HA PRO A 84 12.288 6.997 6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.395 9.401 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.108 9.204 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.629 8.913 3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.133 9.755 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.074 7.172 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.408 7.765 3.788 1.00 0.00 H new ATOM 1196 N LYS A 85 9.901 6.712 4.713 1.00 0.00 N ATOM 1197 CA LYS A 85 8.498 6.228 4.624 1.00 0.00 C ATOM 1198 C LYS A 85 8.440 4.669 4.569 1.00 0.00 C ATOM 1199 O LYS A 85 9.270 4.010 3.930 1.00 0.00 O ATOM 1200 CB LYS A 85 7.812 6.822 3.365 1.00 0.00 C ATOM 1201 CG LYS A 85 7.734 8.364 3.208 1.00 0.00 C ATOM 1202 CD LYS A 85 6.871 9.120 4.243 1.00 0.00 C ATOM 1203 CE LYS A 85 7.645 9.607 5.481 1.00 0.00 C ATOM 1204 NZ LYS A 85 6.746 10.367 6.372 1.00 0.00 N ATOM 0 H LYS A 85 10.332 6.892 3.807 1.00 0.00 H new ATOM 0 HA LYS A 85 7.970 6.558 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.330 6.428 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.793 6.436 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.747 8.763 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.347 8.586 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.411 9.980 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.061 8.467 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.065 8.755 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.481 10.235 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.277 10.692 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.365 11.189 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.962 9.756 6.678 1.00 0.00 H new ATOM 1217 N ILE A 86 7.391 4.081 5.170 1.00 0.00 N ATOM 1218 CA ILE A 86 7.055 2.628 4.992 1.00 0.00 C ATOM 1219 C ILE A 86 6.854 2.154 3.509 1.00 0.00 C ATOM 1220 O ILE A 86 7.307 1.065 3.151 1.00 0.00 O ATOM 1221 CB ILE A 86 5.908 2.207 5.983 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.706 0.670 6.122 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.532 2.854 5.672 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.887 -0.104 6.732 1.00 0.00 C ATOM 0 H ILE A 86 6.750 4.578 5.788 1.00 0.00 H new ATOM 0 HA ILE A 86 7.948 2.067 5.269 1.00 0.00 H new ATOM 0 HB ILE A 86 6.276 2.595 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.823 0.492 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.497 0.259 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.796 2.513 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.620 3.939 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.212 2.565 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.640 -1.164 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.772 0.033 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.087 0.270 7.736 1.00 0.00 H new ATOM 1236 N GLU A 87 6.273 3.008 2.644 1.00 0.00 N ATOM 1237 CA GLU A 87 6.270 2.793 1.171 1.00 0.00 C ATOM 1238 C GLU A 87 7.674 2.808 0.483 1.00 0.00 C ATOM 1239 O GLU A 87 7.844 2.081 -0.493 1.00 0.00 O ATOM 1240 CB GLU A 87 5.322 3.816 0.485 1.00 0.00 C ATOM 1241 CG GLU A 87 3.824 3.716 0.873 1.00 0.00 C ATOM 1242 CD GLU A 87 2.910 4.568 -0.002 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.779 5.840 0.466 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.356 4.153 -1.015 1.00 0.00 O ATOM 0 H GLU A 87 5.795 3.861 2.936 1.00 0.00 H new ATOM 0 HA GLU A 87 5.906 1.774 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.672 4.821 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.407 3.693 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.509 2.675 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.705 4.020 1.913 1.00 0.00 H new ATOM 1251 N ASP A 88 8.682 3.574 0.957 1.00 0.00 N ATOM 1252 CA ASP A 88 10.043 3.574 0.328 1.00 0.00 C ATOM 1253 C ASP A 88 10.773 2.192 0.405 1.00 0.00 C ATOM 1254 O ASP A 88 11.142 1.626 -0.629 1.00 0.00 O ATOM 1255 CB ASP A 88 10.914 4.729 0.899 1.00 0.00 C ATOM 1256 CG ASP A 88 10.508 6.144 0.487 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.068 6.441 -0.618 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.712 7.051 1.483 1.00 0.00 O ATOM 0 H ASP A 88 8.592 4.195 1.761 1.00 0.00 H new ATOM 0 HA ASP A 88 9.892 3.753 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.893 4.669 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.947 4.565 0.591 1.00 0.00 H new ATOM 1263 N ARG A 89 10.927 1.633 1.617 1.00 0.00 N ATOM 1264 CA ARG A 89 11.391 0.232 1.807 1.00 0.00 C ATOM 1265 C ARG A 89 10.425 -0.896 1.298 1.00 0.00 C ATOM 1266 O ARG A 89 10.918 -1.815 0.642 1.00 0.00 O ATOM 1267 CB ARG A 89 11.935 0.050 3.248 1.00 0.00 C ATOM 1268 CG ARG A 89 10.996 0.387 4.430 1.00 0.00 C ATOM 1269 CD ARG A 89 11.377 1.644 5.238 1.00 0.00 C ATOM 1270 NE ARG A 89 10.511 1.622 6.453 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.155 2.669 7.190 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.628 3.865 7.019 1.00 0.00 N ATOM 1273 NH2 ARG A 89 9.301 2.488 8.153 1.00 0.00 N ATOM 0 H ARG A 89 10.738 2.126 2.490 1.00 0.00 H new ATOM 0 HA ARG A 89 12.222 0.080 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.249 -0.988 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.829 0.665 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.985 0.516 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.971 -0.466 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.433 1.630 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.210 2.550 4.655 1.00 0.00 H new ATOM 0 HE ARG A 89 10.157 0.712 6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.314 4.042 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.314 4.628 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.920 1.558 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.012 3.276 8.733 1.00 0.00 H new ATOM 1287 N ALA A 90 9.089 -0.836 1.502 1.00 0.00 N ATOM 1288 CA ALA A 90 8.128 -1.776 0.849 1.00 0.00 C ATOM 1289 C ALA A 90 8.089 -1.815 -0.717 1.00 0.00 C ATOM 1290 O ALA A 90 8.057 -2.908 -1.288 1.00 0.00 O ATOM 1291 CB ALA A 90 6.738 -1.519 1.461 1.00 0.00 C ATOM 0 H ALA A 90 8.645 -0.150 2.112 1.00 0.00 H new ATOM 0 HA ALA A 90 8.498 -2.779 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.010 -2.190 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.775 -1.699 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.444 -0.486 1.276 1.00 0.00 H new ATOM 1297 N ASN A 91 8.155 -0.662 -1.409 1.00 0.00 N ATOM 1298 CA ASN A 91 8.360 -0.600 -2.890 1.00 0.00 C ATOM 1299 C ASN A 91 9.703 -1.244 -3.377 1.00 0.00 C ATOM 1300 O ASN A 91 9.690 -2.065 -4.298 1.00 0.00 O ATOM 1301 CB ASN A 91 8.243 0.873 -3.380 1.00 0.00 C ATOM 1302 CG ASN A 91 6.855 1.528 -3.328 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.809 0.893 -3.275 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.796 2.836 -3.382 1.00 0.00 N ATOM 0 H ASN A 91 8.070 0.255 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 91 7.570 -1.205 -3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.925 1.481 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.596 0.914 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.891 3.306 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.655 3.384 -3.427 1.00 0.00 H new ATOM 1311 N LEU A 92 10.847 -0.904 -2.748 1.00 0.00 N ATOM 1312 CA LEU A 92 12.154 -1.580 -2.995 1.00 0.00 C ATOM 1313 C LEU A 92 12.177 -3.116 -2.679 1.00 0.00 C ATOM 1314 O LEU A 92 12.630 -3.893 -3.523 1.00 0.00 O ATOM 1315 CB LEU A 92 13.237 -0.758 -2.243 1.00 0.00 C ATOM 1316 CG LEU A 92 14.705 -0.949 -2.711 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.573 0.166 -2.125 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.325 -2.296 -2.300 1.00 0.00 C ATOM 0 H LEU A 92 10.899 -0.157 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 92 12.361 -1.583 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.986 0.299 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.182 -1.010 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 92 14.677 -0.922 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.604 0.034 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.204 1.133 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.530 0.127 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.351 -2.351 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.321 -2.382 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.743 -3.111 -2.730 1.00 0.00 H new ATOM 1330 N ILE A 93 11.658 -3.564 -1.517 1.00 0.00 N ATOM 1331 CA ILE A 93 11.423 -5.014 -1.208 1.00 0.00 C ATOM 1332 C ILE A 93 10.525 -5.731 -2.288 1.00 0.00 C ATOM 1333 O ILE A 93 10.932 -6.781 -2.787 1.00 0.00 O ATOM 1334 CB ILE A 93 10.979 -5.154 0.303 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.140 -4.822 1.301 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.397 -6.546 0.663 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.729 -4.497 2.755 1.00 0.00 C ATOM 0 H ILE A 93 11.386 -2.940 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 93 12.351 -5.579 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 93 10.182 -4.418 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.825 -5.670 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.697 -3.972 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.116 -6.562 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.517 -6.742 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.148 -7.314 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.620 -4.285 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.073 -3.626 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.203 -5.350 3.184 1.00 0.00 H new ATOM 1349 N ALA A 94 9.381 -5.151 -2.708 1.00 0.00 N ATOM 1350 CA ALA A 94 8.613 -5.627 -3.898 1.00 0.00 C ATOM 1351 C ALA A 94 9.381 -5.709 -5.264 1.00 0.00 C ATOM 1352 O ALA A 94 9.319 -6.749 -5.928 1.00 0.00 O ATOM 1353 CB ALA A 94 7.353 -4.747 -3.991 1.00 0.00 C ATOM 0 H ALA A 94 8.960 -4.347 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 94 8.381 -6.679 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.756 -5.056 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.764 -4.857 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.646 -3.704 -4.110 1.00 0.00 H new ATOM 1359 N TYR A 95 10.142 -4.665 -5.659 1.00 0.00 N ATOM 1360 CA TYR A 95 11.148 -4.755 -6.762 1.00 0.00 C ATOM 1361 C TYR A 95 12.211 -5.896 -6.611 1.00 0.00 C ATOM 1362 O TYR A 95 12.353 -6.697 -7.535 1.00 0.00 O ATOM 1363 CB TYR A 95 11.775 -3.340 -6.952 1.00 0.00 C ATOM 1364 CG TYR A 95 12.886 -3.219 -8.013 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.617 -3.494 -9.358 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.190 -2.889 -7.627 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.645 -3.471 -10.297 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.211 -2.843 -8.573 1.00 0.00 C ATOM 1369 CZ TYR A 95 14.940 -3.148 -9.904 1.00 0.00 C ATOM 1370 OH TYR A 95 15.941 -3.117 -10.836 1.00 0.00 O ATOM 0 H TYR A 95 10.084 -3.740 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 95 10.628 -5.060 -7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.977 -2.645 -7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.181 -3.015 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.609 -3.725 -9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.405 -2.669 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.437 -3.704 -11.331 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.213 -2.571 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 95 16.785 -2.874 -10.402 1.00 0.00 H new ATOM 1380 N LEU A 96 12.944 -5.973 -5.487 1.00 0.00 N ATOM 1381 CA LEU A 96 13.991 -7.012 -5.272 1.00 0.00 C ATOM 1382 C LEU A 96 13.468 -8.490 -5.119 1.00 0.00 C ATOM 1383 O LEU A 96 14.138 -9.415 -5.584 1.00 0.00 O ATOM 1384 CB LEU A 96 15.001 -6.469 -4.211 1.00 0.00 C ATOM 1385 CG LEU A 96 14.903 -6.986 -2.750 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.720 -8.277 -2.606 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.437 -5.960 -1.736 1.00 0.00 C ATOM 0 H LEU A 96 12.837 -5.329 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 96 14.555 -7.167 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.006 -6.687 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.900 -5.384 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 96 13.848 -7.164 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.651 -8.639 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.327 -9.034 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.763 -8.077 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.348 -6.365 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.484 -5.747 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.857 -5.040 -1.810 1.00 0.00 H new ATOM 1399 N GLU A 97 12.264 -8.722 -4.549 1.00 0.00 N ATOM 1400 CA GLU A 97 11.517 -10.012 -4.697 1.00 0.00 C ATOM 1401 C GLU A 97 11.250 -10.453 -6.178 1.00 0.00 C ATOM 1402 O GLU A 97 11.542 -11.600 -6.527 1.00 0.00 O ATOM 1403 CB GLU A 97 10.183 -9.941 -3.897 1.00 0.00 C ATOM 1404 CG GLU A 97 10.332 -9.966 -2.358 1.00 0.00 C ATOM 1405 CD GLU A 97 9.018 -9.845 -1.588 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.435 -8.622 -1.734 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.549 -10.742 -0.896 1.00 0.00 O ATOM 0 H GLU A 97 11.778 -8.032 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 97 12.169 -10.784 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.657 -9.029 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.553 -10.778 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.823 -10.895 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.990 -9.151 -2.057 1.00 0.00 H new