USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 92 THR OG1 : rot 134:sc= 0.247 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.95! C(o=-2.7!,f=-4.8!) USER MOD Set 2.1: A 84 THR OG1 : rot -95:sc= -5.78! USER MOD Set 2.2: A 99 SER OG : rot 31:sc= -4.03! USER MOD Set 3.1: A 82 ASN : amide:sc= -12.4! C(o=-14!,f=-14!) USER MOD Set 3.2: A 106 THR OG1 : rot -78:sc= -1.31! USER MOD Set 4.1: A 42 THR OG1 : rot 32:sc= -1.48! USER MOD Set 4.2: A 46 SER OG : rot -108:sc= -1.5! USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 0.0538 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 10:sc= -16.9! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.78) USER MOD Single : A 49 THR OG1 : rot 111:sc= 0.256 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 24:sc= 0.788 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.8!) USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -0.146 (180deg=-0.851) USER MOD Single : A 85 MET CE :methyl 167:sc= -2.49! (180deg=-2.99!) USER MOD Single : A 89 SER OG : rot 19:sc= -0.284! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -5.01! C(o=-5!,f=-7.7!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -43:sc= 1.06 USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.282) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 48:sc= 0.929 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.24! USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.589) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.178 -6.105 -0.166 1.00 0.00 N ATOM 160 CA PRO A 12 -6.853 -6.642 0.084 1.00 0.00 C ATOM 161 C PRO A 12 -6.040 -5.689 0.966 1.00 0.00 C ATOM 162 O PRO A 12 -5.739 -5.988 2.104 1.00 0.00 O ATOM 163 CB PRO A 12 -6.225 -6.767 -1.300 1.00 0.00 C ATOM 164 CG PRO A 12 -6.987 -5.708 -2.163 1.00 0.00 C ATOM 165 CD PRO A 12 -8.376 -5.499 -1.490 1.00 0.00 C ATOM 0 HA PRO A 12 -6.884 -7.595 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.155 -6.562 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.347 -7.772 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.432 -4.771 -2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.103 -6.056 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.638 -4.443 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.175 -5.989 -2.046 1.00 0.00 H new ATOM 173 N VAL A 13 -5.677 -4.545 0.451 1.00 0.00 N ATOM 174 CA VAL A 13 -4.882 -3.583 1.265 1.00 0.00 C ATOM 175 C VAL A 13 -5.311 -2.148 0.940 1.00 0.00 C ATOM 176 O VAL A 13 -4.529 -1.371 0.428 1.00 0.00 O ATOM 177 CB VAL A 13 -3.396 -3.761 0.951 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.598 -2.612 1.570 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.908 -5.088 1.537 1.00 0.00 C ATOM 0 H VAL A 13 -5.896 -4.236 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.056 -3.774 2.324 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.253 -3.762 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.539 -2.741 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.944 -1.665 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.741 -2.610 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.849 -5.217 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.054 -5.084 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.474 -5.910 1.098 1.00 0.00 H new ATOM 189 N PRO A 14 -6.542 -1.836 1.262 1.00 0.00 N ATOM 190 CA PRO A 14 -7.086 -0.506 1.028 1.00 0.00 C ATOM 191 C PRO A 14 -6.155 0.544 1.639 1.00 0.00 C ATOM 192 O PRO A 14 -5.823 0.468 2.805 1.00 0.00 O ATOM 193 CB PRO A 14 -8.428 -0.513 1.756 1.00 0.00 C ATOM 194 CG PRO A 14 -8.816 -2.024 1.794 1.00 0.00 C ATOM 195 CD PRO A 14 -7.472 -2.798 1.877 1.00 0.00 C ATOM 0 HA PRO A 14 -7.191 -0.269 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.342 -0.096 2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.174 0.080 1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.449 -2.245 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.377 -2.307 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.197 -3.034 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.507 -3.741 1.331 1.00 0.00 H new ATOM 203 N LEU A 15 -5.719 1.523 0.880 1.00 0.00 N ATOM 204 CA LEU A 15 -4.814 2.547 1.480 1.00 0.00 C ATOM 205 C LEU A 15 -5.492 3.927 1.543 1.00 0.00 C ATOM 206 O LEU A 15 -4.999 4.873 0.983 1.00 0.00 O ATOM 207 CB LEU A 15 -3.527 2.657 0.663 1.00 0.00 C ATOM 208 CG LEU A 15 -2.690 1.390 0.864 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.936 1.053 -0.423 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.687 1.628 1.991 1.00 0.00 C ATOM 0 H LEU A 15 -5.946 1.654 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.582 2.226 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.763 2.787 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.960 3.535 0.973 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.347 0.559 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.343 0.151 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.650 0.887 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.277 1.880 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.087 0.730 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.035 2.461 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.222 1.864 2.911 1.00 0.00 H new ATOM 222 N PRO A 16 -6.584 4.005 2.259 1.00 0.00 N ATOM 223 CA PRO A 16 -7.293 5.258 2.460 1.00 0.00 C ATOM 224 C PRO A 16 -6.308 6.422 2.665 1.00 0.00 C ATOM 225 O PRO A 16 -6.407 7.447 2.019 1.00 0.00 O ATOM 226 CB PRO A 16 -8.109 5.021 3.724 1.00 0.00 C ATOM 227 CG PRO A 16 -8.311 3.470 3.771 1.00 0.00 C ATOM 228 CD PRO A 16 -7.194 2.835 2.887 1.00 0.00 C ATOM 0 HA PRO A 16 -7.909 5.529 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.584 5.380 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.064 5.545 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.246 3.104 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.298 3.199 3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.475 2.273 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.604 2.146 2.149 1.00 0.00 H new ATOM 236 N GLU A 17 -5.366 6.275 3.566 1.00 0.00 N ATOM 237 CA GLU A 17 -4.380 7.374 3.825 1.00 0.00 C ATOM 238 C GLU A 17 -3.963 8.030 2.506 1.00 0.00 C ATOM 239 O GLU A 17 -3.882 9.237 2.396 1.00 0.00 O ATOM 240 CB GLU A 17 -3.143 6.792 4.513 1.00 0.00 C ATOM 241 CG GLU A 17 -2.448 7.886 5.326 1.00 0.00 C ATOM 242 CD GLU A 17 -2.863 7.772 6.793 1.00 0.00 C ATOM 243 OE1 GLU A 17 -3.988 7.369 7.041 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.050 8.089 7.645 1.00 0.00 O ATOM 0 H GLU A 17 -5.237 5.439 4.135 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.843 8.124 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.431 5.967 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.457 6.386 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.366 7.790 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.715 8.868 4.937 1.00 0.00 H new ATOM 251 N LEU A 18 -3.717 7.239 1.505 1.00 0.00 N ATOM 252 CA LEU A 18 -3.325 7.789 0.174 1.00 0.00 C ATOM 253 C LEU A 18 -4.538 7.695 -0.739 1.00 0.00 C ATOM 254 O LEU A 18 -4.791 6.657 -1.317 1.00 0.00 O ATOM 255 CB LEU A 18 -2.174 6.977 -0.439 1.00 0.00 C ATOM 256 CG LEU A 18 -2.234 5.524 0.027 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.316 4.669 -0.849 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.768 5.442 1.476 1.00 0.00 C ATOM 0 H LEU A 18 -3.770 6.221 1.549 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.991 8.820 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.231 7.018 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.219 7.417 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.257 5.157 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.359 3.632 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.642 4.731 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.292 5.034 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.809 4.406 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.744 5.807 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.418 6.054 2.102 1.00 0.00 H new ATOM 270 N PRO A 19 -5.276 8.766 -0.826 1.00 0.00 N ATOM 271 CA PRO A 19 -6.471 8.781 -1.636 1.00 0.00 C ATOM 272 C PRO A 19 -6.124 8.684 -3.125 1.00 0.00 C ATOM 273 O PRO A 19 -4.980 8.795 -3.518 1.00 0.00 O ATOM 274 CB PRO A 19 -7.143 10.112 -1.311 1.00 0.00 C ATOM 275 CG PRO A 19 -5.961 11.002 -0.816 1.00 0.00 C ATOM 276 CD PRO A 19 -4.965 10.023 -0.132 1.00 0.00 C ATOM 0 HA PRO A 19 -7.123 7.933 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.630 10.541 -2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.909 9.999 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.489 11.526 -1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.308 11.762 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.928 10.326 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.131 9.951 0.943 1.00 0.00 H new ATOM 284 N CYS A 20 -7.110 8.469 -3.954 1.00 0.00 N ATOM 285 CA CYS A 20 -6.852 8.354 -5.417 1.00 0.00 C ATOM 286 C CYS A 20 -7.638 9.433 -6.165 1.00 0.00 C ATOM 287 O CYS A 20 -8.795 9.673 -5.888 1.00 0.00 O ATOM 288 CB CYS A 20 -7.305 6.976 -5.898 1.00 0.00 C ATOM 289 SG CYS A 20 -5.871 6.039 -6.479 1.00 0.00 S ATOM 0 H CYS A 20 -8.087 8.368 -3.679 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.787 8.483 -5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.799 6.440 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.034 7.081 -6.701 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.781 6.667 -6.151 1.00 0.00 H new ATOM 295 N GLU A 21 -7.021 10.079 -7.115 1.00 0.00 N ATOM 296 CA GLU A 21 -7.735 11.138 -7.883 1.00 0.00 C ATOM 297 C GLU A 21 -8.266 12.200 -6.918 1.00 0.00 C ATOM 298 O GLU A 21 -9.124 12.988 -7.261 1.00 0.00 O ATOM 299 CB GLU A 21 -8.906 10.514 -8.647 1.00 0.00 C ATOM 300 CG GLU A 21 -9.149 11.296 -9.938 1.00 0.00 C ATOM 301 CD GLU A 21 -10.605 11.120 -10.374 1.00 0.00 C ATOM 302 OE1 GLU A 21 -11.008 9.987 -10.578 1.00 0.00 O ATOM 303 OE2 GLU A 21 -11.291 12.121 -10.495 1.00 0.00 O ATOM 0 H GLU A 21 -6.053 9.920 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.045 11.600 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.689 9.471 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.804 10.524 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.930 12.352 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.478 10.943 -10.721 1.00 0.00 H new ATOM 310 N LYS A 22 -7.764 12.229 -5.714 1.00 0.00 N ATOM 311 CA LYS A 22 -8.244 13.241 -4.734 1.00 0.00 C ATOM 312 C LYS A 22 -9.751 13.079 -4.540 1.00 0.00 C ATOM 313 O LYS A 22 -10.481 14.043 -4.423 1.00 0.00 O ATOM 314 CB LYS A 22 -7.942 14.644 -5.263 1.00 0.00 C ATOM 315 CG LYS A 22 -6.528 14.677 -5.846 1.00 0.00 C ATOM 316 CD LYS A 22 -5.505 14.597 -4.712 1.00 0.00 C ATOM 317 CE LYS A 22 -4.968 13.169 -4.608 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.551 13.203 -4.147 1.00 0.00 N ATOM 0 H LYS A 22 -7.043 11.596 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.737 13.098 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.668 14.920 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.032 15.374 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.388 13.844 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.381 15.593 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.686 15.292 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.967 14.892 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.575 12.591 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.035 12.673 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.186 12.232 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.977 13.740 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.500 13.661 -3.215 1.00 0.00 H new ATOM 332 N SER A 23 -10.223 11.863 -4.506 1.00 0.00 N ATOM 333 CA SER A 23 -11.684 11.632 -4.322 1.00 0.00 C ATOM 334 C SER A 23 -11.909 10.773 -3.078 1.00 0.00 C ATOM 335 O SER A 23 -11.058 10.675 -2.216 1.00 0.00 O ATOM 336 CB SER A 23 -12.244 10.908 -5.547 1.00 0.00 C ATOM 337 OG SER A 23 -13.627 11.205 -5.676 1.00 0.00 O ATOM 0 H SER A 23 -9.659 11.018 -4.598 1.00 0.00 H new ATOM 0 HA SER A 23 -12.191 12.589 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.708 11.219 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.099 9.832 -5.446 1.00 0.00 H new ATOM 0 HG SER A 23 -13.989 10.744 -6.461 1.00 0.00 H new ATOM 343 N ASP A 24 -13.046 10.139 -2.981 1.00 0.00 N ATOM 344 CA ASP A 24 -13.318 9.280 -1.797 1.00 0.00 C ATOM 345 C ASP A 24 -12.633 7.925 -1.994 1.00 0.00 C ATOM 346 O ASP A 24 -12.791 7.017 -1.201 1.00 0.00 O ATOM 347 CB ASP A 24 -14.827 9.073 -1.651 1.00 0.00 C ATOM 348 CG ASP A 24 -15.376 10.049 -0.607 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.765 10.169 0.442 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.397 10.659 -0.876 1.00 0.00 O ATOM 0 H ASP A 24 -13.797 10.180 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.932 9.760 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.321 9.232 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.037 8.046 -1.351 1.00 0.00 H new ATOM 355 N ALA A 25 -11.871 7.784 -3.045 1.00 0.00 N ATOM 356 CA ALA A 25 -11.176 6.492 -3.293 1.00 0.00 C ATOM 357 C ALA A 25 -9.775 6.545 -2.685 1.00 0.00 C ATOM 358 O ALA A 25 -9.332 7.573 -2.214 1.00 0.00 O ATOM 359 CB ALA A 25 -11.066 6.262 -4.802 1.00 0.00 C ATOM 0 H ALA A 25 -11.701 8.509 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.740 5.678 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.557 5.316 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.064 6.230 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.498 7.075 -5.254 1.00 0.00 H new ATOM 365 N TYR A 26 -9.073 5.447 -2.695 1.00 0.00 N ATOM 366 CA TYR A 26 -7.697 5.437 -2.125 1.00 0.00 C ATOM 367 C TYR A 26 -6.860 4.383 -2.844 1.00 0.00 C ATOM 368 O TYR A 26 -7.295 3.790 -3.807 1.00 0.00 O ATOM 369 CB TYR A 26 -7.749 5.123 -0.629 1.00 0.00 C ATOM 370 CG TYR A 26 -8.993 4.324 -0.312 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.196 3.078 -0.915 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.940 4.831 0.585 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.348 2.338 -0.620 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.092 4.092 0.879 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.297 2.845 0.277 1.00 0.00 C ATOM 376 OH TYR A 26 -12.431 2.116 0.567 1.00 0.00 O ATOM 0 H TYR A 26 -9.393 4.555 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.245 6.419 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.862 4.562 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.745 6.049 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.465 2.687 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.782 5.793 1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.505 1.376 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.823 4.484 1.571 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.983 2.611 1.208 1.00 0.00 H new ATOM 386 N PHE A 27 -5.655 4.152 -2.406 1.00 0.00 N ATOM 387 CA PHE A 27 -4.819 3.143 -3.109 1.00 0.00 C ATOM 388 C PHE A 27 -4.960 1.764 -2.459 1.00 0.00 C ATOM 389 O PHE A 27 -4.129 1.327 -1.695 1.00 0.00 O ATOM 390 CB PHE A 27 -3.360 3.594 -3.093 1.00 0.00 C ATOM 391 CG PHE A 27 -3.125 4.476 -4.293 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.578 4.066 -5.553 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.473 5.707 -4.150 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.381 4.884 -6.669 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.273 6.524 -5.268 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.729 6.113 -6.527 1.00 0.00 C ATOM 0 H PHE A 27 -5.219 4.610 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.161 3.060 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.140 4.137 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.695 2.731 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.080 3.116 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.125 6.025 -3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.732 4.567 -7.640 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.767 7.472 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.577 6.746 -7.389 1.00 0.00 H new ATOM 406 N VAL A 28 -6.003 1.061 -2.776 1.00 0.00 N ATOM 407 CA VAL A 28 -6.182 -0.298 -2.204 1.00 0.00 C ATOM 408 C VAL A 28 -5.235 -1.258 -2.925 1.00 0.00 C ATOM 409 O VAL A 28 -5.593 -1.888 -3.900 1.00 0.00 O ATOM 410 CB VAL A 28 -7.631 -0.747 -2.411 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.929 -1.958 -1.530 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.576 0.396 -2.039 1.00 0.00 C ATOM 0 H VAL A 28 -6.742 1.368 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.960 -0.291 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.777 -1.018 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.961 -2.273 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.258 -2.775 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.781 -1.692 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.608 0.077 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.425 0.667 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.369 1.259 -2.671 1.00 0.00 H new ATOM 422 N LEU A 29 -4.019 -1.360 -2.460 1.00 0.00 N ATOM 423 CA LEU A 29 -3.038 -2.262 -3.125 1.00 0.00 C ATOM 424 C LEU A 29 -3.693 -3.605 -3.445 1.00 0.00 C ATOM 425 O LEU A 29 -4.432 -4.157 -2.656 1.00 0.00 O ATOM 426 CB LEU A 29 -1.833 -2.483 -2.206 1.00 0.00 C ATOM 427 CG LEU A 29 -0.971 -3.624 -2.756 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.437 -3.105 -3.056 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.887 -4.745 -1.718 1.00 0.00 C ATOM 0 H LEU A 29 -3.663 -0.857 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.705 -1.799 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.243 -1.569 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.171 -2.722 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.420 -4.007 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.049 -3.918 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.380 -2.306 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.886 -2.721 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.274 -5.557 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.439 -4.360 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.889 -5.118 -1.503 1.00 0.00 H new ATOM 441 N ARG A 30 -3.413 -4.134 -4.605 1.00 0.00 N ATOM 442 CA ARG A 30 -3.999 -5.444 -4.997 1.00 0.00 C ATOM 443 C ARG A 30 -2.908 -6.295 -5.650 1.00 0.00 C ATOM 444 O ARG A 30 -1.744 -5.944 -5.634 1.00 0.00 O ATOM 445 CB ARG A 30 -5.138 -5.217 -5.994 1.00 0.00 C ATOM 446 CG ARG A 30 -6.479 -5.250 -5.256 1.00 0.00 C ATOM 447 CD ARG A 30 -7.538 -4.528 -6.089 1.00 0.00 C ATOM 448 NE ARG A 30 -8.151 -5.486 -7.053 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.289 -5.152 -8.307 1.00 0.00 C ATOM 450 NH1 ARG A 30 -7.257 -5.175 -9.107 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.459 -4.794 -8.762 1.00 0.00 N ATOM 0 H ARG A 30 -2.799 -3.711 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.391 -5.954 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.011 -4.258 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.117 -5.986 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.783 -6.282 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.381 -4.773 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.306 -4.110 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.087 -3.694 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.463 -6.403 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.342 -5.454 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.366 -4.914 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.265 -4.775 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.567 -4.533 -9.742 1.00 0.00 H new ATOM 465 N ASP A 31 -3.270 -7.406 -6.228 1.00 0.00 N ATOM 466 CA ASP A 31 -2.246 -8.269 -6.880 1.00 0.00 C ATOM 467 C ASP A 31 -2.828 -8.873 -8.161 1.00 0.00 C ATOM 468 O ASP A 31 -3.481 -9.897 -8.135 1.00 0.00 O ATOM 469 CB ASP A 31 -1.838 -9.391 -5.923 1.00 0.00 C ATOM 470 CG ASP A 31 -3.046 -10.281 -5.631 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.907 -9.851 -4.881 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.090 -11.380 -6.160 1.00 0.00 O ATOM 0 H ASP A 31 -4.228 -7.753 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.370 -7.669 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.035 -9.983 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.452 -8.969 -4.995 1.00 0.00 H new ATOM 477 N GLY A 32 -2.598 -8.244 -9.281 1.00 0.00 N ATOM 478 CA GLY A 32 -3.138 -8.780 -10.562 1.00 0.00 C ATOM 479 C GLY A 32 -2.452 -10.106 -10.895 1.00 0.00 C ATOM 480 O GLY A 32 -2.034 -10.838 -10.018 1.00 0.00 O ATOM 0 H GLY A 32 -2.059 -7.382 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.215 -8.927 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.974 -8.062 -11.366 1.00 0.00 H new ATOM 484 N ALA A 33 -2.332 -10.423 -12.155 1.00 0.00 N ATOM 485 CA ALA A 33 -1.673 -11.702 -12.543 1.00 0.00 C ATOM 486 C ALA A 33 -0.251 -11.419 -13.032 1.00 0.00 C ATOM 487 O ALA A 33 0.132 -11.812 -14.115 1.00 0.00 O ATOM 488 CB ALA A 33 -2.475 -12.367 -13.664 1.00 0.00 C ATOM 0 H ALA A 33 -2.662 -9.851 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.633 -12.366 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.995 -13.303 -13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.488 -12.570 -13.316 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.515 -11.702 -14.527 1.00 0.00 H new ATOM 494 N ALA A 34 0.534 -10.740 -12.240 1.00 0.00 N ATOM 495 CA ALA A 34 1.931 -10.435 -12.661 1.00 0.00 C ATOM 496 C ALA A 34 2.699 -9.831 -11.485 1.00 0.00 C ATOM 497 O ALA A 34 3.820 -10.208 -11.202 1.00 0.00 O ATOM 498 CB ALA A 34 1.909 -9.438 -13.822 1.00 0.00 C ATOM 0 H ALA A 34 0.269 -10.384 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 34 2.422 -11.354 -12.981 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.931 -9.215 -14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.363 -9.869 -14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.417 -8.519 -13.503 1.00 0.00 H new ATOM 504 N GLY A 35 2.106 -8.895 -10.793 1.00 0.00 N ATOM 505 CA GLY A 35 2.805 -8.269 -9.635 1.00 0.00 C ATOM 506 C GLY A 35 1.812 -7.421 -8.837 1.00 0.00 C ATOM 507 O GLY A 35 0.764 -7.050 -9.327 1.00 0.00 O ATOM 0 H GLY A 35 1.169 -8.538 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.236 -9.040 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.629 -7.648 -9.986 1.00 0.00 H new ATOM 511 N VAL A 36 2.134 -7.110 -7.611 1.00 0.00 N ATOM 512 CA VAL A 36 1.208 -6.285 -6.785 1.00 0.00 C ATOM 513 C VAL A 36 1.200 -4.849 -7.312 1.00 0.00 C ATOM 514 O VAL A 36 1.904 -4.516 -8.244 1.00 0.00 O ATOM 515 CB VAL A 36 1.678 -6.294 -5.327 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.014 -7.725 -4.909 1.00 0.00 C ATOM 517 CG2 VAL A 36 2.926 -5.420 -5.184 1.00 0.00 C ATOM 0 H VAL A 36 2.997 -7.391 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 36 0.201 -6.699 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 36 0.885 -5.903 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.349 -7.732 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.127 -8.351 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.806 -8.114 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.259 -5.428 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.719 -5.811 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.691 -4.398 -5.482 1.00 0.00 H new ATOM 527 N PHE A 37 0.410 -3.996 -6.722 1.00 0.00 N ATOM 528 CA PHE A 37 0.359 -2.583 -7.190 1.00 0.00 C ATOM 529 C PHE A 37 -0.635 -1.797 -6.331 1.00 0.00 C ATOM 530 O PHE A 37 -1.209 -2.323 -5.399 1.00 0.00 O ATOM 531 CB PHE A 37 -0.075 -2.546 -8.658 1.00 0.00 C ATOM 532 CG PHE A 37 -1.547 -2.864 -8.763 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.050 -4.054 -8.224 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.408 -1.968 -9.404 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.414 -4.346 -8.324 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.773 -2.259 -9.506 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.277 -3.448 -8.966 1.00 0.00 C ATOM 0 H PHE A 37 -0.202 -4.216 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 37 1.347 -2.131 -7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.125 -1.562 -9.081 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.504 -3.266 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.384 -4.747 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.019 -1.051 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.802 -5.263 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.437 -1.566 -10.001 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.330 -3.673 -9.044 1.00 0.00 H new ATOM 547 N LEU A 38 -0.839 -0.544 -6.631 1.00 0.00 N ATOM 548 CA LEU A 38 -1.792 0.271 -5.824 1.00 0.00 C ATOM 549 C LEU A 38 -2.877 0.846 -6.735 1.00 0.00 C ATOM 550 O LEU A 38 -2.726 1.912 -7.297 1.00 0.00 O ATOM 551 CB LEU A 38 -1.037 1.418 -5.150 1.00 0.00 C ATOM 552 CG LEU A 38 0.296 0.905 -4.607 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.091 2.074 -4.022 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.034 -0.130 -3.511 1.00 0.00 C ATOM 0 H LEU A 38 -0.387 -0.049 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.253 -0.361 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.865 2.223 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.635 1.834 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 38 0.865 0.445 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.042 1.709 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.276 2.814 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.522 2.533 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.984 -0.497 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.534 0.331 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.535 -0.963 -3.925 1.00 0.00 H new ATOM 566 N ALA A 39 -3.973 0.153 -6.882 1.00 0.00 N ATOM 567 CA ALA A 39 -5.062 0.671 -7.756 1.00 0.00 C ATOM 568 C ALA A 39 -6.013 1.535 -6.928 1.00 0.00 C ATOM 569 O ALA A 39 -6.214 1.311 -5.747 1.00 0.00 O ATOM 570 CB ALA A 39 -5.844 -0.493 -8.365 1.00 0.00 C ATOM 0 H ALA A 39 -4.161 -0.745 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.621 1.267 -8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.638 -0.104 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.172 -1.112 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.281 -1.095 -7.568 1.00 0.00 H new ATOM 576 N ALA A 40 -6.604 2.518 -7.544 1.00 0.00 N ATOM 577 CA ALA A 40 -7.549 3.395 -6.809 1.00 0.00 C ATOM 578 C ALA A 40 -8.806 2.590 -6.473 1.00 0.00 C ATOM 579 O ALA A 40 -9.206 1.712 -7.210 1.00 0.00 O ATOM 580 CB ALA A 40 -7.914 4.589 -7.690 1.00 0.00 C ATOM 0 H ALA A 40 -6.472 2.751 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.091 3.758 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.608 5.237 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.012 5.149 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.383 4.234 -8.608 1.00 0.00 H new ATOM 586 N ASN A 41 -9.432 2.875 -5.366 1.00 0.00 N ATOM 587 CA ASN A 41 -10.657 2.114 -4.991 1.00 0.00 C ATOM 588 C ASN A 41 -11.833 2.595 -5.843 1.00 0.00 C ATOM 589 O ASN A 41 -12.899 2.012 -5.831 1.00 0.00 O ATOM 590 CB ASN A 41 -10.959 2.328 -3.503 1.00 0.00 C ATOM 591 CG ASN A 41 -12.405 1.923 -3.200 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.665 0.804 -2.805 1.00 0.00 O ATOM 593 ND2 ASN A 41 -13.363 2.793 -3.371 1.00 0.00 N ATOM 0 H ASN A 41 -9.150 3.600 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.499 1.050 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.272 1.739 -2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.802 3.374 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.329 2.533 -3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.145 3.733 -3.703 1.00 0.00 H new ATOM 600 N THR A 42 -11.647 3.648 -6.591 1.00 0.00 N ATOM 601 CA THR A 42 -12.753 4.154 -7.449 1.00 0.00 C ATOM 602 C THR A 42 -12.557 3.641 -8.881 1.00 0.00 C ATOM 603 O THR A 42 -13.332 3.942 -9.765 1.00 0.00 O ATOM 604 CB THR A 42 -12.745 5.685 -7.444 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.407 6.151 -7.345 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.556 6.195 -6.250 1.00 0.00 C ATOM 0 H THR A 42 -10.778 4.179 -6.644 1.00 0.00 H new ATOM 0 HA THR A 42 -13.709 3.799 -7.063 1.00 0.00 H new ATOM 0 HB THR A 42 -13.189 6.055 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.807 5.521 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.551 7.285 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.583 5.837 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.113 5.826 -5.325 1.00 0.00 H new ATOM 614 N PHE A 43 -11.525 2.865 -9.108 1.00 0.00 N ATOM 615 CA PHE A 43 -11.266 2.320 -10.474 1.00 0.00 C ATOM 616 C PHE A 43 -12.596 1.950 -11.145 1.00 0.00 C ATOM 617 O PHE A 43 -13.500 1.474 -10.488 1.00 0.00 O ATOM 618 CB PHE A 43 -10.398 1.065 -10.347 1.00 0.00 C ATOM 619 CG PHE A 43 -10.269 0.396 -11.694 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.306 -0.410 -12.178 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.111 0.582 -12.460 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.186 -1.030 -13.427 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.992 -0.037 -13.709 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.029 -0.844 -14.193 1.00 0.00 C ATOM 0 H PHE A 43 -10.847 2.585 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.756 3.070 -11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.412 1.330 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.842 0.375 -9.629 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.199 -0.553 -11.588 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.310 1.203 -12.086 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.986 -1.652 -13.800 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.100 0.108 -14.300 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.936 -1.323 -15.157 1.00 0.00 H new ATOM 634 N PRO A 44 -12.678 2.169 -12.436 1.00 0.00 N ATOM 635 CA PRO A 44 -11.589 2.741 -13.220 1.00 0.00 C ATOM 636 C PRO A 44 -11.550 4.267 -13.071 1.00 0.00 C ATOM 637 O PRO A 44 -10.676 4.922 -13.602 1.00 0.00 O ATOM 638 CB PRO A 44 -11.933 2.370 -14.656 1.00 0.00 C ATOM 639 CG PRO A 44 -13.491 2.260 -14.643 1.00 0.00 C ATOM 640 CD PRO A 44 -13.886 1.830 -13.200 1.00 0.00 C ATOM 0 HA PRO A 44 -10.614 2.371 -12.902 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.590 3.129 -15.359 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.467 1.429 -14.950 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.950 3.213 -14.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.835 1.529 -15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.761 2.370 -12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.120 0.767 -13.141 1.00 0.00 H new ATOM 648 N LYS A 45 -12.490 4.838 -12.361 1.00 0.00 N ATOM 649 CA LYS A 45 -12.502 6.319 -12.188 1.00 0.00 C ATOM 650 C LYS A 45 -11.074 6.814 -11.949 1.00 0.00 C ATOM 651 O LYS A 45 -10.728 7.929 -12.285 1.00 0.00 O ATOM 652 CB LYS A 45 -13.391 6.678 -10.992 1.00 0.00 C ATOM 653 CG LYS A 45 -13.052 8.083 -10.493 1.00 0.00 C ATOM 654 CD LYS A 45 -13.966 8.447 -9.323 1.00 0.00 C ATOM 655 CE LYS A 45 -15.041 9.427 -9.799 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.058 10.619 -8.905 1.00 0.00 N ATOM 0 H LYS A 45 -13.249 4.341 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.897 6.795 -13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.441 6.629 -11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.247 5.954 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.009 8.127 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.173 8.805 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.432 7.548 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.383 8.894 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.841 9.732 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.017 8.942 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.777 11.293 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.285 10.322 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.124 11.076 -8.917 1.00 0.00 H new ATOM 670 N SER A 46 -10.243 5.988 -11.380 1.00 0.00 N ATOM 671 CA SER A 46 -8.837 6.404 -11.126 1.00 0.00 C ATOM 672 C SER A 46 -7.894 5.296 -11.592 1.00 0.00 C ATOM 673 O SER A 46 -7.706 4.303 -10.917 1.00 0.00 O ATOM 674 CB SER A 46 -8.639 6.650 -9.631 1.00 0.00 C ATOM 675 OG SER A 46 -9.680 6.006 -8.907 1.00 0.00 O ATOM 0 H SER A 46 -10.477 5.042 -11.080 1.00 0.00 H new ATOM 0 HA SER A 46 -8.622 7.322 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.669 6.268 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.644 7.720 -9.423 1.00 0.00 H new ATOM 0 HG SER A 46 -10.297 6.680 -8.552 1.00 0.00 H new ATOM 681 N ARG A 47 -7.303 5.453 -12.744 1.00 0.00 N ATOM 682 CA ARG A 47 -6.376 4.404 -13.250 1.00 0.00 C ATOM 683 C ARG A 47 -4.960 4.697 -12.759 1.00 0.00 C ATOM 684 O ARG A 47 -3.989 4.452 -13.448 1.00 0.00 O ATOM 685 CB ARG A 47 -6.397 4.397 -14.779 1.00 0.00 C ATOM 686 CG ARG A 47 -7.223 3.207 -15.271 1.00 0.00 C ATOM 687 CD ARG A 47 -7.676 3.458 -16.710 1.00 0.00 C ATOM 688 NE ARG A 47 -7.301 2.293 -17.558 1.00 0.00 N ATOM 689 CZ ARG A 47 -7.796 2.174 -18.760 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.088 2.208 -18.939 1.00 0.00 N ATOM 691 NH2 ARG A 47 -6.998 2.023 -19.782 1.00 0.00 N ATOM 0 H ARG A 47 -7.422 6.261 -13.355 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.694 3.429 -12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.823 5.328 -15.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.380 4.333 -15.167 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.630 2.294 -15.220 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.090 3.061 -14.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.755 3.612 -16.741 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.213 4.366 -17.095 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.657 1.588 -17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.711 2.328 -18.140 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.475 2.115 -19.878 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.988 1.998 -19.641 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.384 1.930 -20.721 1.00 0.00 H new ATOM 705 N GLU A 48 -4.831 5.213 -11.567 1.00 0.00 N ATOM 706 CA GLU A 48 -3.476 5.512 -11.031 1.00 0.00 C ATOM 707 C GLU A 48 -2.920 4.257 -10.362 1.00 0.00 C ATOM 708 O GLU A 48 -2.433 4.295 -9.250 1.00 0.00 O ATOM 709 CB GLU A 48 -3.568 6.645 -10.005 1.00 0.00 C ATOM 710 CG GLU A 48 -4.352 7.814 -10.606 1.00 0.00 C ATOM 711 CD GLU A 48 -4.526 8.908 -9.552 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.576 8.571 -8.380 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.608 10.063 -9.933 1.00 0.00 O ATOM 0 H GLU A 48 -5.605 5.440 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.817 5.819 -11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.060 6.291 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.569 6.972 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.825 8.211 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.326 7.471 -10.954 1.00 0.00 H new ATOM 720 N THR A 49 -2.996 3.142 -11.033 1.00 0.00 N ATOM 721 CA THR A 49 -2.484 1.876 -10.437 1.00 0.00 C ATOM 722 C THR A 49 -1.079 1.587 -10.969 1.00 0.00 C ATOM 723 O THR A 49 -0.707 2.019 -12.042 1.00 0.00 O ATOM 724 CB THR A 49 -3.417 0.714 -10.801 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.882 0.009 -11.912 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.809 1.246 -11.156 1.00 0.00 C ATOM 0 H THR A 49 -3.391 3.052 -11.969 1.00 0.00 H new ATOM 0 HA THR A 49 -2.447 1.982 -9.353 1.00 0.00 H new ATOM 0 HB THR A 49 -3.501 0.044 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.586 -0.880 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.463 0.412 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.223 1.782 -10.302 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.734 1.923 -12.007 1.00 0.00 H new ATOM 734 N ARG A 50 -0.297 0.856 -10.222 1.00 0.00 N ATOM 735 CA ARG A 50 1.087 0.531 -10.671 1.00 0.00 C ATOM 736 C ARG A 50 1.906 0.063 -9.467 1.00 0.00 C ATOM 737 O ARG A 50 1.504 0.226 -8.332 1.00 0.00 O ATOM 738 CB ARG A 50 1.735 1.778 -11.276 1.00 0.00 C ATOM 739 CG ARG A 50 1.930 1.572 -12.780 1.00 0.00 C ATOM 740 CD ARG A 50 2.880 2.642 -13.324 1.00 0.00 C ATOM 741 NE ARG A 50 2.405 3.094 -14.661 1.00 0.00 N ATOM 742 CZ ARG A 50 3.016 4.069 -15.277 1.00 0.00 C ATOM 743 NH1 ARG A 50 2.921 5.289 -14.824 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.724 3.824 -16.346 1.00 0.00 N ATOM 0 H ARG A 50 -0.559 0.468 -9.316 1.00 0.00 H new ATOM 0 HA ARG A 50 1.054 -0.258 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.108 2.651 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.695 1.971 -10.797 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.336 0.579 -12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.970 1.629 -13.293 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.924 3.487 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.891 2.241 -13.402 1.00 0.00 H new ATOM 0 HE ARG A 50 1.601 2.641 -15.096 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.369 5.481 -13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.399 6.051 -15.306 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.800 2.870 -16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.201 4.586 -16.827 1.00 0.00 H new ATOM 758 N ALA A 51 3.051 -0.518 -9.700 1.00 0.00 N ATOM 759 CA ALA A 51 3.885 -0.992 -8.560 1.00 0.00 C ATOM 760 C ALA A 51 4.025 0.140 -7.534 1.00 0.00 C ATOM 761 O ALA A 51 4.124 1.294 -7.902 1.00 0.00 O ATOM 762 CB ALA A 51 5.268 -1.397 -9.070 1.00 0.00 C ATOM 0 H ALA A 51 3.444 -0.684 -10.627 1.00 0.00 H new ATOM 0 HA ALA A 51 3.410 -1.854 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.877 -1.743 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.166 -2.199 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.749 -0.538 -9.538 1.00 0.00 H new ATOM 768 N PRO A 52 4.016 -0.223 -6.275 1.00 0.00 N ATOM 769 CA PRO A 52 4.125 0.746 -5.194 1.00 0.00 C ATOM 770 C PRO A 52 5.563 1.257 -5.050 1.00 0.00 C ATOM 771 O PRO A 52 6.505 0.489 -4.996 1.00 0.00 O ATOM 772 CB PRO A 52 3.716 -0.032 -3.949 1.00 0.00 C ATOM 773 CG PRO A 52 4.072 -1.509 -4.309 1.00 0.00 C ATOM 774 CD PRO A 52 3.890 -1.627 -5.849 1.00 0.00 C ATOM 0 HA PRO A 52 3.505 1.625 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.259 0.308 -3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.654 0.084 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.095 -1.747 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.420 -2.207 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.651 -2.262 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.921 -2.050 -6.115 1.00 0.00 H new ATOM 782 N LEU A 53 5.739 2.549 -4.972 1.00 0.00 N ATOM 783 CA LEU A 53 7.109 3.107 -4.810 1.00 0.00 C ATOM 784 C LEU A 53 7.773 2.441 -3.601 1.00 0.00 C ATOM 785 O LEU A 53 7.125 2.144 -2.617 1.00 0.00 O ATOM 786 CB LEU A 53 7.022 4.619 -4.574 1.00 0.00 C ATOM 787 CG LEU A 53 7.760 5.357 -5.693 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.469 6.853 -5.606 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.265 5.131 -5.547 1.00 0.00 C ATOM 0 H LEU A 53 4.991 3.241 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 53 7.695 2.917 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.979 4.933 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.459 4.872 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 53 7.421 4.976 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.997 7.373 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.397 7.022 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.805 7.233 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.791 5.657 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.598 5.510 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.481 4.065 -5.612 1.00 0.00 H new ATOM 801 N VAL A 54 9.054 2.204 -3.659 1.00 0.00 N ATOM 802 CA VAL A 54 9.741 1.557 -2.506 1.00 0.00 C ATOM 803 C VAL A 54 9.559 2.424 -1.260 1.00 0.00 C ATOM 804 O VAL A 54 9.519 1.933 -0.149 1.00 0.00 O ATOM 805 CB VAL A 54 11.231 1.409 -2.817 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.854 0.392 -1.861 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.405 0.921 -4.258 1.00 0.00 C ATOM 0 H VAL A 54 9.654 2.430 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 54 9.311 0.571 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 54 11.724 2.374 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.916 0.287 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.730 0.735 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.361 -0.572 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.467 0.815 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.911 -0.043 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.961 1.643 -4.943 1.00 0.00 H new ATOM 817 N GLU A 55 9.440 3.713 -1.436 1.00 0.00 N ATOM 818 CA GLU A 55 9.255 4.609 -0.261 1.00 0.00 C ATOM 819 C GLU A 55 7.807 4.514 0.221 1.00 0.00 C ATOM 820 O GLU A 55 7.528 4.612 1.399 1.00 0.00 O ATOM 821 CB GLU A 55 9.571 6.052 -0.660 1.00 0.00 C ATOM 822 CG GLU A 55 8.840 6.396 -1.958 1.00 0.00 C ATOM 823 CD GLU A 55 8.747 7.916 -2.105 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.760 8.571 -1.922 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.667 8.399 -2.399 1.00 0.00 O ATOM 0 H GLU A 55 9.463 4.182 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 55 9.928 4.304 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.266 6.735 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.646 6.177 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.370 5.970 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.841 5.959 -1.952 1.00 0.00 H new ATOM 832 N GLU A 56 6.883 4.315 -0.679 1.00 0.00 N ATOM 833 CA GLU A 56 5.458 4.203 -0.266 1.00 0.00 C ATOM 834 C GLU A 56 5.248 2.847 0.408 1.00 0.00 C ATOM 835 O GLU A 56 4.326 2.656 1.176 1.00 0.00 O ATOM 836 CB GLU A 56 4.554 4.310 -1.496 1.00 0.00 C ATOM 837 CG GLU A 56 3.414 5.289 -1.210 1.00 0.00 C ATOM 838 CD GLU A 56 2.548 5.444 -2.461 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.983 5.012 -3.517 1.00 0.00 O ATOM 840 OE2 GLU A 56 1.464 5.990 -2.343 1.00 0.00 O ATOM 0 H GLU A 56 7.054 4.225 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 56 5.209 5.006 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.131 4.649 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.150 3.330 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.809 4.926 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.818 6.257 -0.912 1.00 0.00 H new ATOM 847 N LEU A 57 6.106 1.905 0.126 1.00 0.00 N ATOM 848 CA LEU A 57 5.975 0.558 0.746 1.00 0.00 C ATOM 849 C LEU A 57 6.532 0.604 2.170 1.00 0.00 C ATOM 850 O LEU A 57 5.986 0.014 3.081 1.00 0.00 O ATOM 851 CB LEU A 57 6.764 -0.459 -0.081 1.00 0.00 C ATOM 852 CG LEU A 57 6.051 -1.811 -0.055 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.722 -2.192 1.389 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.756 -1.718 -0.863 1.00 0.00 C ATOM 0 H LEU A 57 6.896 2.012 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 57 4.926 0.265 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.862 -0.109 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.773 -0.562 0.318 1.00 0.00 H new ATOM 0 HG LEU A 57 6.701 -2.570 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.214 -3.156 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.644 -2.259 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.073 -1.433 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.246 -2.681 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.109 -0.957 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.989 -1.449 -1.893 1.00 0.00 H new ATOM 866 N TYR A 58 7.619 1.302 2.369 1.00 0.00 N ATOM 867 CA TYR A 58 8.211 1.387 3.733 1.00 0.00 C ATOM 868 C TYR A 58 7.319 2.256 4.622 1.00 0.00 C ATOM 869 O TYR A 58 7.032 1.917 5.753 1.00 0.00 O ATOM 870 CB TYR A 58 9.605 2.010 3.644 1.00 0.00 C ATOM 871 CG TYR A 58 10.112 2.315 5.034 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.625 1.287 5.833 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.070 3.627 5.522 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.095 1.570 7.122 1.00 0.00 C ATOM 875 CE2 TYR A 58 10.540 3.910 6.809 1.00 0.00 C ATOM 876 CZ TYR A 58 11.054 2.881 7.609 1.00 0.00 C ATOM 877 OH TYR A 58 11.517 3.161 8.879 1.00 0.00 O ATOM 0 H TYR A 58 8.121 1.816 1.645 1.00 0.00 H new ATOM 0 HA TYR A 58 8.286 0.387 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.288 1.328 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.569 2.923 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.659 0.276 5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.675 4.420 4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.489 0.776 7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.507 4.922 7.186 1.00 0.00 H new ATOM 0 HH TYR A 58 11.417 4.119 9.060 1.00 0.00 H new ATOM 887 N ARG A 59 6.876 3.376 4.119 1.00 0.00 N ATOM 888 CA ARG A 59 6.002 4.267 4.933 1.00 0.00 C ATOM 889 C ARG A 59 4.728 3.516 5.321 1.00 0.00 C ATOM 890 O ARG A 59 4.334 3.494 6.470 1.00 0.00 O ATOM 891 CB ARG A 59 5.633 5.505 4.111 1.00 0.00 C ATOM 892 CG ARG A 59 5.272 6.654 5.053 1.00 0.00 C ATOM 893 CD ARG A 59 4.027 7.370 4.526 1.00 0.00 C ATOM 894 NE ARG A 59 3.380 8.124 5.636 1.00 0.00 N ATOM 895 CZ ARG A 59 2.152 8.551 5.507 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.566 8.513 4.342 1.00 0.00 N ATOM 897 NH2 ARG A 59 1.512 9.017 6.544 1.00 0.00 N ATOM 0 H ARG A 59 7.082 3.713 3.178 1.00 0.00 H new ATOM 0 HA ARG A 59 6.532 4.572 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.468 5.793 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.792 5.281 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.088 6.272 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.104 7.354 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.300 8.051 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.328 6.646 4.108 1.00 0.00 H new ATOM 0 HE ARG A 59 3.896 8.307 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.067 8.150 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.607 8.847 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.970 9.048 7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.553 9.351 6.444 1.00 0.00 H new ATOM 911 N PHE A 60 4.082 2.896 4.372 1.00 0.00 N ATOM 912 CA PHE A 60 2.835 2.146 4.688 1.00 0.00 C ATOM 913 C PHE A 60 3.177 0.676 4.932 1.00 0.00 C ATOM 914 O PHE A 60 2.337 -0.196 4.817 1.00 0.00 O ATOM 915 CB PHE A 60 1.860 2.258 3.514 1.00 0.00 C ATOM 916 CG PHE A 60 1.172 3.602 3.560 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.138 3.828 4.476 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.571 4.623 2.689 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.498 5.075 4.520 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.935 5.869 2.732 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.099 6.096 3.648 1.00 0.00 C ATOM 0 H PHE A 60 4.364 2.877 3.392 1.00 0.00 H new ATOM 0 HA PHE A 60 2.373 2.565 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.394 2.143 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.122 1.457 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.169 3.041 5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.370 4.449 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.296 5.249 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.242 6.655 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.589 7.058 3.682 1.00 0.00 H new ATOM 931 N ARG A 61 4.405 0.393 5.269 1.00 0.00 N ATOM 932 CA ARG A 61 4.805 -1.020 5.522 1.00 0.00 C ATOM 933 C ARG A 61 4.094 -1.533 6.776 1.00 0.00 C ATOM 934 O ARG A 61 3.780 -2.701 6.888 1.00 0.00 O ATOM 935 CB ARG A 61 6.320 -1.090 5.730 1.00 0.00 C ATOM 936 CG ARG A 61 6.697 -2.466 6.284 1.00 0.00 C ATOM 937 CD ARG A 61 8.023 -2.918 5.672 1.00 0.00 C ATOM 938 NE ARG A 61 8.961 -3.320 6.758 1.00 0.00 N ATOM 939 CZ ARG A 61 9.900 -2.501 7.144 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.549 -1.791 6.263 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.192 -2.393 8.411 1.00 0.00 N ATOM 0 H ARG A 61 5.150 1.081 5.380 1.00 0.00 H new ATOM 0 HA ARG A 61 4.526 -1.637 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.836 -0.913 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.639 -0.309 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.782 -2.421 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.914 -3.189 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.856 -3.754 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.457 -2.111 5.082 1.00 0.00 H new ATOM 0 HE ARG A 61 8.869 -4.235 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.322 -1.876 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.283 -1.151 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.686 -2.949 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.926 -1.752 8.712 1.00 0.00 H new ATOM 955 N ASP A 62 3.837 -0.671 7.721 1.00 0.00 N ATOM 956 CA ASP A 62 3.147 -1.113 8.965 1.00 0.00 C ATOM 957 C ASP A 62 1.667 -1.366 8.667 1.00 0.00 C ATOM 958 O ASP A 62 0.911 -1.766 9.530 1.00 0.00 O ATOM 959 CB ASP A 62 3.271 -0.022 10.031 1.00 0.00 C ATOM 960 CG ASP A 62 4.405 -0.376 10.994 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.192 -1.231 11.838 1.00 0.00 O ATOM 962 OD2 ASP A 62 5.466 0.212 10.872 1.00 0.00 O ATOM 0 H ASP A 62 4.075 0.320 7.685 1.00 0.00 H new ATOM 0 HA ASP A 62 3.607 -2.032 9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.467 0.941 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.333 0.076 10.577 1.00 0.00 H new ATOM 967 N ARG A 63 1.245 -1.134 7.453 1.00 0.00 N ATOM 968 CA ARG A 63 -0.186 -1.361 7.105 1.00 0.00 C ATOM 969 C ARG A 63 -0.282 -2.377 5.964 1.00 0.00 C ATOM 970 O ARG A 63 -1.352 -2.663 5.465 1.00 0.00 O ATOM 971 CB ARG A 63 -0.817 -0.039 6.662 1.00 0.00 C ATOM 972 CG ARG A 63 -2.125 0.184 7.423 1.00 0.00 C ATOM 973 CD ARG A 63 -2.715 1.541 7.035 1.00 0.00 C ATOM 974 NE ARG A 63 -2.506 2.511 8.147 1.00 0.00 N ATOM 975 CZ ARG A 63 -1.364 2.543 8.778 1.00 0.00 C ATOM 976 NH1 ARG A 63 -0.373 3.241 8.297 1.00 0.00 N ATOM 977 NH2 ARG A 63 -1.214 1.875 9.890 1.00 0.00 N ATOM 0 H ARG A 63 1.830 -0.797 6.688 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.715 -1.745 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.129 0.785 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.007 -0.056 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.833 -0.612 7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.944 0.148 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.242 1.908 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.779 1.439 6.822 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.255 3.149 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.491 3.762 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.520 3.266 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.989 1.328 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.322 1.900 10.383 1.00 0.00 H new ATOM 991 N LEU A 64 0.827 -2.924 5.545 1.00 0.00 N ATOM 992 CA LEU A 64 0.792 -3.917 4.436 1.00 0.00 C ATOM 993 C LEU A 64 0.775 -5.336 5.031 1.00 0.00 C ATOM 994 O LEU A 64 0.976 -5.508 6.218 1.00 0.00 O ATOM 995 CB LEU A 64 2.024 -3.704 3.530 1.00 0.00 C ATOM 996 CG LEU A 64 3.115 -4.745 3.817 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.351 -4.441 2.970 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.491 -4.697 5.299 1.00 0.00 C ATOM 0 H LEU A 64 1.754 -2.726 5.923 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.106 -3.787 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.724 -3.768 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.424 -2.702 3.687 1.00 0.00 H new ATOM 0 HG LEU A 64 2.740 -5.738 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.124 -5.181 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.086 -4.477 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.726 -3.447 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.266 -5.436 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.864 -3.703 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.612 -4.917 5.905 1.00 0.00 H new ATOM 1010 N PRO A 65 0.538 -6.308 4.187 1.00 0.00 N ATOM 1011 CA PRO A 65 0.495 -7.699 4.612 1.00 0.00 C ATOM 1012 C PRO A 65 1.902 -8.192 4.961 1.00 0.00 C ATOM 1013 O PRO A 65 2.310 -8.174 6.105 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.065 -8.451 3.410 1.00 0.00 C ATOM 1015 CG PRO A 65 0.288 -7.531 2.199 1.00 0.00 C ATOM 1016 CD PRO A 65 0.296 -6.079 2.756 1.00 0.00 C ATOM 0 HA PRO A 65 -0.113 -7.846 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.388 -9.437 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.141 -8.602 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.259 -7.794 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.445 -7.639 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.078 -5.471 2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.650 -5.567 2.578 1.00 0.00 H new ATOM 1024 N GLU A 66 2.645 -8.637 3.986 1.00 0.00 N ATOM 1025 CA GLU A 66 4.020 -9.135 4.263 1.00 0.00 C ATOM 1026 C GLU A 66 4.668 -9.625 2.965 1.00 0.00 C ATOM 1027 O GLU A 66 5.872 -9.607 2.817 1.00 0.00 O ATOM 1028 CB GLU A 66 3.935 -10.295 5.251 1.00 0.00 C ATOM 1029 CG GLU A 66 5.274 -10.458 5.972 1.00 0.00 C ATOM 1030 CD GLU A 66 5.808 -11.873 5.744 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.048 -12.809 5.932 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.968 -11.998 5.387 1.00 0.00 O ATOM 0 H GLU A 66 2.358 -8.677 3.008 1.00 0.00 H new ATOM 0 HA GLU A 66 4.622 -8.328 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.141 -10.111 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.680 -11.215 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.990 -9.724 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.149 -10.272 7.039 1.00 0.00 H new ATOM 1039 N LYS A 67 3.880 -10.065 2.021 1.00 0.00 N ATOM 1040 CA LYS A 67 4.452 -10.566 0.736 1.00 0.00 C ATOM 1041 C LYS A 67 5.117 -9.429 -0.057 1.00 0.00 C ATOM 1042 O LYS A 67 5.592 -9.637 -1.156 1.00 0.00 O ATOM 1043 CB LYS A 67 3.332 -11.180 -0.106 1.00 0.00 C ATOM 1044 CG LYS A 67 3.607 -12.670 -0.313 1.00 0.00 C ATOM 1045 CD LYS A 67 2.487 -13.491 0.330 1.00 0.00 C ATOM 1046 CE LYS A 67 2.496 -13.270 1.843 1.00 0.00 C ATOM 1047 NZ LYS A 67 3.003 -14.496 2.522 1.00 0.00 N ATOM 0 H LYS A 67 2.863 -10.099 2.084 1.00 0.00 H new ATOM 0 HA LYS A 67 5.211 -11.315 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.372 -11.042 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.268 -10.674 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.671 -12.894 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.567 -12.938 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.523 -13.198 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.622 -14.549 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.126 -12.416 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.490 -13.037 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.009 -14.346 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.385 -15.300 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.970 -14.699 2.196 1.00 0.00 H new ATOM 1061 N LEU A 68 5.163 -8.235 0.473 1.00 0.00 N ATOM 1062 CA LEU A 68 5.808 -7.118 -0.280 1.00 0.00 C ATOM 1063 C LEU A 68 6.904 -6.487 0.581 1.00 0.00 C ATOM 1064 O LEU A 68 7.475 -5.474 0.230 1.00 0.00 O ATOM 1065 CB LEU A 68 4.768 -6.046 -0.630 1.00 0.00 C ATOM 1066 CG LEU A 68 3.368 -6.661 -0.675 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.625 -6.323 0.618 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.598 -6.086 -1.867 1.00 0.00 C ATOM 0 H LEU A 68 4.785 -7.986 1.387 1.00 0.00 H new ATOM 0 HA LEU A 68 6.239 -7.516 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.798 -5.245 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.007 -5.598 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 68 3.448 -7.743 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.627 -6.760 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.173 -6.727 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.544 -5.241 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.600 -6.523 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.517 -5.004 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.128 -6.321 -2.790 1.00 0.00 H new ATOM 1080 N ARG A 69 7.204 -7.075 1.706 1.00 0.00 N ATOM 1081 CA ARG A 69 8.263 -6.503 2.585 1.00 0.00 C ATOM 1082 C ARG A 69 9.587 -6.443 1.821 1.00 0.00 C ATOM 1083 O ARG A 69 10.163 -5.389 1.643 1.00 0.00 O ATOM 1084 CB ARG A 69 8.430 -7.386 3.824 1.00 0.00 C ATOM 1085 CG ARG A 69 8.803 -6.515 5.025 1.00 0.00 C ATOM 1086 CD ARG A 69 7.871 -6.831 6.195 1.00 0.00 C ATOM 1087 NE ARG A 69 8.474 -7.902 7.036 1.00 0.00 N ATOM 1088 CZ ARG A 69 8.447 -7.802 8.337 1.00 0.00 C ATOM 1089 NH1 ARG A 69 7.470 -7.165 8.922 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.397 -8.340 9.052 1.00 0.00 N ATOM 0 H ARG A 69 6.762 -7.926 2.055 1.00 0.00 H new ATOM 0 HA ARG A 69 7.975 -5.497 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.505 -7.926 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.204 -8.134 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.839 -6.697 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.727 -5.460 4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.704 -5.935 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.898 -7.151 5.822 1.00 0.00 H new ATOM 0 HE ARG A 69 8.908 -8.713 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.728 -6.745 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.449 -7.087 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.160 -8.838 8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.376 -8.262 10.069 1.00 0.00 H new ATOM 1104 N TYR A 70 10.072 -7.566 1.366 1.00 0.00 N ATOM 1105 CA TYR A 70 11.359 -7.570 0.614 1.00 0.00 C ATOM 1106 C TYR A 70 11.333 -6.459 -0.439 1.00 0.00 C ATOM 1107 O TYR A 70 12.360 -5.939 -0.832 1.00 0.00 O ATOM 1108 CB TYR A 70 11.543 -8.923 -0.074 1.00 0.00 C ATOM 1109 CG TYR A 70 10.301 -9.265 -0.860 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.237 -9.927 -0.236 1.00 0.00 C ATOM 1111 CD2 TYR A 70 10.214 -8.923 -2.215 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.085 -10.245 -0.965 1.00 0.00 C ATOM 1113 CE2 TYR A 70 9.062 -9.241 -2.944 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.998 -9.902 -2.319 1.00 0.00 C ATOM 1115 OH TYR A 70 6.863 -10.216 -3.039 1.00 0.00 O ATOM 0 H TYR A 70 9.634 -8.480 1.482 1.00 0.00 H new ATOM 0 HA TYR A 70 12.186 -7.400 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.408 -8.890 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.740 -9.696 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.305 -10.193 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.035 -8.414 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.264 -10.755 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.994 -8.976 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 70 6.102 -10.303 -2.428 1.00 0.00 H new ATOM 1125 N LEU A 71 10.167 -6.091 -0.894 1.00 0.00 N ATOM 1126 CA LEU A 71 10.072 -5.012 -1.916 1.00 0.00 C ATOM 1127 C LEU A 71 10.280 -3.659 -1.235 1.00 0.00 C ATOM 1128 O LEU A 71 10.988 -2.804 -1.730 1.00 0.00 O ATOM 1129 CB LEU A 71 8.689 -5.052 -2.571 1.00 0.00 C ATOM 1130 CG LEU A 71 8.794 -5.688 -3.956 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.536 -6.511 -4.238 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.927 -4.587 -5.010 1.00 0.00 C ATOM 0 H LEU A 71 9.276 -6.491 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 71 10.836 -5.158 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.998 -5.622 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.285 -4.043 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 71 9.668 -6.338 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.612 -6.964 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.437 -7.294 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.661 -5.862 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.002 -5.038 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.051 -3.939 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.823 -3.999 -4.810 1.00 0.00 H new ATOM 1144 N ALA A 72 9.672 -3.461 -0.097 1.00 0.00 N ATOM 1145 CA ALA A 72 9.837 -2.168 0.622 1.00 0.00 C ATOM 1146 C ALA A 72 11.269 -2.063 1.152 1.00 0.00 C ATOM 1147 O ALA A 72 11.687 -1.031 1.640 1.00 0.00 O ATOM 1148 CB ALA A 72 8.854 -2.108 1.794 1.00 0.00 C ATOM 0 H ALA A 72 9.068 -4.140 0.365 1.00 0.00 H new ATOM 0 HA ALA A 72 9.639 -1.342 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.974 -1.162 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.834 -2.187 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.053 -2.933 2.479 1.00 0.00 H new ATOM 1154 N ASP A 73 12.024 -3.124 1.061 1.00 0.00 N ATOM 1155 CA ASP A 73 13.428 -3.086 1.558 1.00 0.00 C ATOM 1156 C ASP A 73 14.351 -2.608 0.437 1.00 0.00 C ATOM 1157 O ASP A 73 15.402 -2.050 0.680 1.00 0.00 O ATOM 1158 CB ASP A 73 13.850 -4.487 2.003 1.00 0.00 C ATOM 1159 CG ASP A 73 13.612 -4.639 3.507 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.415 -3.627 4.160 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.631 -5.762 3.980 1.00 0.00 O ATOM 0 H ASP A 73 11.729 -4.016 0.664 1.00 0.00 H new ATOM 0 HA ASP A 73 13.496 -2.401 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.282 -5.240 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.902 -4.652 1.772 1.00 0.00 H new ATOM 1166 N ALA A 74 13.967 -2.823 -0.791 1.00 0.00 N ATOM 1167 CA ALA A 74 14.823 -2.381 -1.927 1.00 0.00 C ATOM 1168 C ALA A 74 15.063 -0.872 -1.825 1.00 0.00 C ATOM 1169 O ALA A 74 14.281 -0.162 -1.226 1.00 0.00 O ATOM 1170 CB ALA A 74 14.118 -2.695 -3.247 1.00 0.00 C ATOM 0 H ALA A 74 13.098 -3.286 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 74 15.778 -2.906 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.743 -2.372 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.943 -3.768 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.164 -2.169 -3.284 1.00 0.00 H new ATOM 1176 N PRO A 75 16.141 -0.426 -2.420 1.00 0.00 N ATOM 1177 CA PRO A 75 16.497 0.986 -2.412 1.00 0.00 C ATOM 1178 C PRO A 75 15.300 1.834 -2.856 1.00 0.00 C ATOM 1179 O PRO A 75 14.641 1.531 -3.831 1.00 0.00 O ATOM 1180 CB PRO A 75 17.639 1.096 -3.416 1.00 0.00 C ATOM 1181 CG PRO A 75 18.259 -0.336 -3.421 1.00 0.00 C ATOM 1182 CD PRO A 75 17.076 -1.306 -3.138 1.00 0.00 C ATOM 0 HA PRO A 75 16.784 1.343 -1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.278 1.381 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.368 1.848 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.726 -0.557 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 75 19.034 -0.430 -2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.643 -1.703 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.381 -2.160 -2.534 1.00 0.00 H new ATOM 1190 N GLN A 76 15.012 2.891 -2.147 1.00 0.00 N ATOM 1191 CA GLN A 76 13.857 3.753 -2.530 1.00 0.00 C ATOM 1192 C GLN A 76 14.369 5.072 -3.112 1.00 0.00 C ATOM 1193 O GLN A 76 13.857 6.132 -2.820 1.00 0.00 O ATOM 1194 CB GLN A 76 13.004 4.040 -1.292 1.00 0.00 C ATOM 1195 CG GLN A 76 13.847 4.782 -0.252 1.00 0.00 C ATOM 1196 CD GLN A 76 13.521 4.249 1.143 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.715 4.818 1.851 1.00 0.00 O ATOM 1198 NE2 GLN A 76 14.118 3.170 1.572 1.00 0.00 N ATOM 0 H GLN A 76 15.526 3.195 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 76 13.254 3.238 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.136 4.639 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.628 3.107 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.908 4.648 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.645 5.852 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.795 2.691 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.907 2.806 2.501 1.00 0.00 H new ATOM 1207 N GLN A 77 15.369 5.012 -3.947 1.00 0.00 N ATOM 1208 CA GLN A 77 15.910 6.257 -4.559 1.00 0.00 C ATOM 1209 C GLN A 77 17.259 5.950 -5.215 1.00 0.00 C ATOM 1210 O GLN A 77 17.667 6.609 -6.146 1.00 0.00 O ATOM 1211 CB GLN A 77 16.111 7.325 -3.480 1.00 0.00 C ATOM 1212 CG GLN A 77 16.608 6.670 -2.191 1.00 0.00 C ATOM 1213 CD GLN A 77 17.923 7.323 -1.760 1.00 0.00 C ATOM 1214 OE1 GLN A 77 17.983 8.519 -1.559 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.987 6.582 -1.611 1.00 0.00 N ATOM 0 H GLN A 77 15.836 4.151 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 77 15.206 6.625 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.830 8.069 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.173 7.849 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.861 6.778 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.754 5.601 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.937 5.577 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.869 7.008 -1.326 1.00 0.00 H new ATOM 1224 N ASP A 78 17.950 4.953 -4.723 1.00 0.00 N ATOM 1225 CA ASP A 78 19.280 4.578 -5.295 1.00 0.00 C ATOM 1226 C ASP A 78 20.385 5.440 -4.644 1.00 0.00 C ATOM 1227 O ASP A 78 20.102 6.460 -4.048 1.00 0.00 O ATOM 1228 CB ASP A 78 19.248 4.720 -6.834 1.00 0.00 C ATOM 1229 CG ASP A 78 20.109 5.891 -7.319 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.751 7.023 -7.041 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.112 5.634 -7.962 1.00 0.00 O ATOM 0 H ASP A 78 17.646 4.375 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 78 19.506 3.535 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.602 3.796 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.219 4.865 -7.164 1.00 0.00 H new ATOM 1236 N PRO A 79 21.608 4.971 -4.754 1.00 0.00 N ATOM 1237 CA PRO A 79 22.771 5.636 -4.162 1.00 0.00 C ATOM 1238 C PRO A 79 22.789 7.146 -4.443 1.00 0.00 C ATOM 1239 O PRO A 79 23.461 7.897 -3.764 1.00 0.00 O ATOM 1240 CB PRO A 79 23.966 4.956 -4.818 1.00 0.00 C ATOM 1241 CG PRO A 79 23.422 3.541 -5.191 1.00 0.00 C ATOM 1242 CD PRO A 79 21.909 3.733 -5.493 1.00 0.00 C ATOM 0 HA PRO A 79 22.769 5.548 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.304 5.501 -5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.815 4.893 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.945 3.137 -6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.571 2.837 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.715 3.837 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.312 2.892 -5.141 1.00 0.00 H new ATOM 1250 N GLU A 80 22.072 7.598 -5.428 1.00 0.00 N ATOM 1251 CA GLU A 80 22.069 9.056 -5.736 1.00 0.00 C ATOM 1252 C GLU A 80 20.964 9.743 -4.932 1.00 0.00 C ATOM 1253 O GLU A 80 21.229 10.531 -4.045 1.00 0.00 O ATOM 1254 CB GLU A 80 21.814 9.261 -7.231 1.00 0.00 C ATOM 1255 CG GLU A 80 22.080 10.722 -7.597 1.00 0.00 C ATOM 1256 CD GLU A 80 21.985 10.893 -9.115 1.00 0.00 C ATOM 1257 OE1 GLU A 80 22.773 10.277 -9.812 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.124 11.639 -9.554 1.00 0.00 O ATOM 0 H GLU A 80 21.487 7.024 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 80 23.034 9.486 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.460 8.605 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.786 8.995 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.357 11.370 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.068 11.021 -7.248 1.00 0.00 H new ATOM 1265 N GLY A 81 19.730 9.451 -5.230 1.00 0.00 N ATOM 1266 CA GLY A 81 18.614 10.090 -4.477 1.00 0.00 C ATOM 1267 C GLY A 81 17.322 9.994 -5.286 1.00 0.00 C ATOM 1268 O GLY A 81 16.249 9.843 -4.734 1.00 0.00 O ATOM 0 H GLY A 81 19.445 8.799 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.487 9.600 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.851 11.135 -4.275 1.00 0.00 H new ATOM 1272 N ASN A 82 17.407 10.076 -6.589 1.00 0.00 N ATOM 1273 CA ASN A 82 16.170 9.982 -7.414 1.00 0.00 C ATOM 1274 C ASN A 82 15.325 8.825 -6.883 1.00 0.00 C ATOM 1275 O ASN A 82 15.629 7.671 -7.105 1.00 0.00 O ATOM 1276 CB ASN A 82 16.536 9.728 -8.880 1.00 0.00 C ATOM 1277 CG ASN A 82 17.666 8.702 -8.959 1.00 0.00 C ATOM 1278 OD1 ASN A 82 17.854 7.918 -8.053 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.433 8.674 -10.015 1.00 0.00 N ATOM 0 H ASN A 82 18.273 10.203 -7.112 1.00 0.00 H new ATOM 0 HA ASN A 82 15.610 10.915 -7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.664 9.366 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.844 10.660 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.190 7.993 -10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.275 9.333 -10.777 1.00 0.00 H new ATOM 1286 N LYS A 83 14.284 9.134 -6.155 1.00 0.00 N ATOM 1287 CA LYS A 83 13.424 8.067 -5.572 1.00 0.00 C ATOM 1288 C LYS A 83 13.287 6.896 -6.533 1.00 0.00 C ATOM 1289 O LYS A 83 13.321 7.046 -7.737 1.00 0.00 O ATOM 1290 CB LYS A 83 12.046 8.626 -5.251 1.00 0.00 C ATOM 1291 CG LYS A 83 12.102 9.528 -4.008 1.00 0.00 C ATOM 1292 CD LYS A 83 13.306 9.209 -3.110 1.00 0.00 C ATOM 1293 CE LYS A 83 13.216 10.031 -1.823 1.00 0.00 C ATOM 1294 NZ LYS A 83 12.848 11.436 -2.156 1.00 0.00 N ATOM 0 H LYS A 83 13.992 10.087 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 83 13.896 7.713 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.671 9.194 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.346 7.807 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.151 10.571 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.183 9.410 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.325 8.145 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.234 9.436 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.473 9.598 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.170 10.009 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.141 12.065 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.328 11.722 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.818 11.504 -2.286 1.00 0.00 H new ATOM 1308 N THR A 84 13.149 5.725 -5.988 1.00 0.00 N ATOM 1309 CA THR A 84 13.026 4.513 -6.833 1.00 0.00 C ATOM 1310 C THR A 84 11.708 3.808 -6.519 1.00 0.00 C ATOM 1311 O THR A 84 11.385 3.561 -5.374 1.00 0.00 O ATOM 1312 CB THR A 84 14.202 3.587 -6.528 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.354 4.369 -6.251 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.479 2.700 -7.730 1.00 0.00 C ATOM 0 H THR A 84 13.116 5.555 -4.983 1.00 0.00 H new ATOM 0 HA THR A 84 13.037 4.784 -7.889 1.00 0.00 H new ATOM 0 HB THR A 84 13.959 2.966 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.886 4.469 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.318 2.040 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.596 2.101 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.722 3.321 -8.592 1.00 0.00 H new ATOM 1322 N MET A 85 10.939 3.487 -7.522 1.00 0.00 N ATOM 1323 CA MET A 85 9.643 2.807 -7.260 1.00 0.00 C ATOM 1324 C MET A 85 9.729 1.338 -7.675 1.00 0.00 C ATOM 1325 O MET A 85 10.648 0.927 -8.355 1.00 0.00 O ATOM 1326 CB MET A 85 8.518 3.521 -8.025 1.00 0.00 C ATOM 1327 CG MET A 85 8.420 2.988 -9.451 1.00 0.00 C ATOM 1328 SD MET A 85 6.980 3.709 -10.271 1.00 0.00 S ATOM 1329 CE MET A 85 6.126 2.148 -10.600 1.00 0.00 C ATOM 0 H MET A 85 11.151 3.665 -8.504 1.00 0.00 H new ATOM 0 HA MET A 85 9.422 2.851 -6.193 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.569 3.374 -7.509 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.707 4.594 -8.044 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.327 3.233 -10.004 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.338 1.901 -9.439 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.098 2.352 -10.899 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.638 1.615 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.127 1.536 -9.698 1.00 0.00 H new ATOM 1339 N VAL A 86 8.779 0.544 -7.268 1.00 0.00 N ATOM 1340 CA VAL A 86 8.810 -0.896 -7.636 1.00 0.00 C ATOM 1341 C VAL A 86 8.329 -1.075 -9.077 1.00 0.00 C ATOM 1342 O VAL A 86 7.521 -0.318 -9.574 1.00 0.00 O ATOM 1343 CB VAL A 86 7.894 -1.679 -6.695 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.765 -3.120 -7.192 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.490 -1.677 -5.286 1.00 0.00 C ATOM 0 H VAL A 86 7.984 0.831 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 86 9.831 -1.267 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 86 6.909 -1.212 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.112 -3.679 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.341 -3.122 -8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.750 -3.587 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.838 -2.235 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.475 -2.144 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.583 -0.650 -4.932 1.00 0.00 H new ATOM 1355 N ARG A 87 8.817 -2.083 -9.741 1.00 0.00 N ATOM 1356 CA ARG A 87 8.395 -2.347 -11.147 1.00 0.00 C ATOM 1357 C ARG A 87 8.211 -3.855 -11.316 1.00 0.00 C ATOM 1358 O ARG A 87 8.281 -4.603 -10.361 1.00 0.00 O ATOM 1359 CB ARG A 87 9.471 -1.860 -12.120 1.00 0.00 C ATOM 1360 CG ARG A 87 10.017 -0.515 -11.647 1.00 0.00 C ATOM 1361 CD ARG A 87 9.011 0.581 -11.994 1.00 0.00 C ATOM 1362 NE ARG A 87 9.739 1.831 -12.353 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.411 2.491 -13.430 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.485 3.409 -13.376 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.007 2.231 -14.562 1.00 0.00 N ATOM 0 H ARG A 87 9.498 -2.744 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 87 7.465 -1.819 -11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.278 -2.590 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.053 -1.762 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.193 -0.537 -10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.976 -0.310 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.383 0.262 -12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.350 0.764 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 87 10.494 2.171 -11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.018 3.611 -12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.229 3.925 -14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.729 1.512 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.751 2.747 -15.404 1.00 0.00 H new ATOM 1379 N PHE A 88 7.992 -4.316 -12.513 1.00 0.00 N ATOM 1380 CA PHE A 88 7.823 -5.782 -12.710 1.00 0.00 C ATOM 1381 C PHE A 88 8.559 -6.226 -13.971 1.00 0.00 C ATOM 1382 O PHE A 88 8.363 -5.687 -15.042 1.00 0.00 O ATOM 1383 CB PHE A 88 6.342 -6.130 -12.847 1.00 0.00 C ATOM 1384 CG PHE A 88 6.205 -7.628 -12.978 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.602 -8.458 -11.923 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.690 -8.188 -14.153 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.483 -9.847 -12.041 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.573 -9.578 -14.273 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.970 -10.407 -13.216 1.00 0.00 C ATOM 0 H PHE A 88 7.923 -3.748 -13.358 1.00 0.00 H new ATOM 0 HA PHE A 88 8.236 -6.297 -11.843 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.789 -5.775 -11.978 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.917 -5.634 -13.720 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.001 -8.026 -11.017 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.383 -7.548 -14.967 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.787 -10.487 -11.226 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.177 -10.011 -15.180 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.880 -11.479 -13.308 1.00 0.00 H new ATOM 1399 N SER A 89 9.396 -7.218 -13.853 1.00 0.00 N ATOM 1400 CA SER A 89 10.139 -7.714 -15.044 1.00 0.00 C ATOM 1401 C SER A 89 9.543 -9.056 -15.471 1.00 0.00 C ATOM 1402 O SER A 89 9.298 -9.923 -14.655 1.00 0.00 O ATOM 1403 CB SER A 89 11.614 -7.898 -14.687 1.00 0.00 C ATOM 1404 OG SER A 89 12.251 -6.628 -14.658 1.00 0.00 O ATOM 0 H SER A 89 9.598 -7.708 -12.981 1.00 0.00 H new ATOM 0 HA SER A 89 10.057 -6.995 -15.859 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.707 -8.387 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.099 -8.545 -15.418 1.00 0.00 H new ATOM 0 HG SER A 89 11.574 -5.924 -14.576 1.00 0.00 H new ATOM 1410 N ARG A 90 9.304 -9.235 -16.740 1.00 0.00 N ATOM 1411 CA ARG A 90 8.722 -10.522 -17.209 1.00 0.00 C ATOM 1412 C ARG A 90 9.851 -11.501 -17.523 1.00 0.00 C ATOM 1413 O ARG A 90 9.631 -12.683 -17.698 1.00 0.00 O ATOM 1414 CB ARG A 90 7.887 -10.278 -18.467 1.00 0.00 C ATOM 1415 CG ARG A 90 7.318 -11.607 -18.968 1.00 0.00 C ATOM 1416 CD ARG A 90 5.849 -11.419 -19.354 1.00 0.00 C ATOM 1417 NE ARG A 90 5.143 -10.672 -18.275 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.208 -9.816 -18.579 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.295 -10.129 -19.456 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.187 -8.643 -18.006 1.00 0.00 N ATOM 0 H ARG A 90 9.486 -8.547 -17.471 1.00 0.00 H new ATOM 0 HA ARG A 90 8.084 -10.940 -16.431 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.077 -9.582 -18.249 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.502 -9.819 -19.241 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.889 -11.959 -19.827 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.407 -12.368 -18.193 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.776 -10.874 -20.295 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.376 -12.389 -19.509 1.00 0.00 H new ATOM 0 HE ARG A 90 5.391 -10.830 -17.298 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.312 -11.045 -19.905 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.564 -9.458 -19.693 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.902 -8.397 -17.321 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.456 -7.973 -18.243 1.00 0.00 H new ATOM 1434 N LYS A 91 11.063 -11.021 -17.584 1.00 0.00 N ATOM 1435 CA LYS A 91 12.206 -11.928 -17.875 1.00 0.00 C ATOM 1436 C LYS A 91 12.334 -12.943 -16.739 1.00 0.00 C ATOM 1437 O LYS A 91 12.923 -13.995 -16.893 1.00 0.00 O ATOM 1438 CB LYS A 91 13.495 -11.111 -17.976 1.00 0.00 C ATOM 1439 CG LYS A 91 13.644 -10.566 -19.398 1.00 0.00 C ATOM 1440 CD LYS A 91 12.612 -9.461 -19.632 1.00 0.00 C ATOM 1441 CE LYS A 91 12.778 -8.373 -18.569 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.896 -7.045 -19.231 1.00 0.00 N ATOM 0 H LYS A 91 11.310 -10.041 -17.445 1.00 0.00 H new ATOM 0 HA LYS A 91 12.035 -12.447 -18.818 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.474 -10.289 -17.260 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.353 -11.733 -17.722 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.651 -10.175 -19.545 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.504 -11.368 -20.123 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.740 -9.034 -20.627 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.605 -9.875 -19.590 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.924 -8.379 -17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.665 -8.571 -17.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.009 -6.306 -18.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.724 -7.043 -19.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.038 -6.857 -19.787 1.00 0.00 H new ATOM 1456 N THR A 92 11.783 -12.635 -15.595 1.00 0.00 N ATOM 1457 CA THR A 92 11.870 -13.580 -14.447 1.00 0.00 C ATOM 1458 C THR A 92 10.627 -13.431 -13.568 1.00 0.00 C ATOM 1459 O THR A 92 10.592 -13.892 -12.445 1.00 0.00 O ATOM 1460 CB THR A 92 13.119 -13.264 -13.620 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.343 -11.861 -13.623 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.328 -13.976 -14.226 1.00 0.00 C ATOM 0 H THR A 92 11.277 -11.770 -15.407 1.00 0.00 H new ATOM 0 HA THR A 92 11.930 -14.602 -14.822 1.00 0.00 H new ATOM 0 HB THR A 92 12.974 -13.608 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.533 -11.558 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.216 -13.750 -13.636 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.155 -15.052 -14.224 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.476 -13.634 -15.250 1.00 0.00 H new ATOM 1470 N LYS A 93 9.606 -12.787 -14.068 1.00 0.00 N ATOM 1471 CA LYS A 93 8.370 -12.608 -13.258 1.00 0.00 C ATOM 1472 C LYS A 93 8.752 -12.206 -11.831 1.00 0.00 C ATOM 1473 O LYS A 93 8.439 -12.892 -10.879 1.00 0.00 O ATOM 1474 CB LYS A 93 7.586 -13.922 -13.225 1.00 0.00 C ATOM 1475 CG LYS A 93 6.683 -14.009 -14.458 1.00 0.00 C ATOM 1476 CD LYS A 93 5.219 -14.072 -14.016 1.00 0.00 C ATOM 1477 CE LYS A 93 4.400 -14.819 -15.070 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.006 -13.872 -16.153 1.00 0.00 N ATOM 0 H LYS A 93 9.576 -12.378 -15.002 1.00 0.00 H new ATOM 0 HA LYS A 93 7.752 -11.828 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.274 -14.768 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.986 -13.977 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.843 -13.143 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.935 -14.892 -15.045 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.140 -14.577 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.825 -13.065 -13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.984 -15.641 -15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.512 -15.257 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.449 -14.378 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.434 -13.102 -15.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.860 -13.475 -16.594 1.00 0.00 H new ATOM 1492 N GLN A 94 9.429 -11.101 -11.676 1.00 0.00 N ATOM 1493 CA GLN A 94 9.831 -10.663 -10.308 1.00 0.00 C ATOM 1494 C GLN A 94 9.600 -9.157 -10.160 1.00 0.00 C ATOM 1495 O GLN A 94 9.041 -8.517 -11.028 1.00 0.00 O ATOM 1496 CB GLN A 94 11.313 -10.974 -10.089 1.00 0.00 C ATOM 1497 CG GLN A 94 11.499 -12.484 -9.934 1.00 0.00 C ATOM 1498 CD GLN A 94 12.915 -12.872 -10.362 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.733 -12.018 -10.640 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.242 -14.134 -10.428 1.00 0.00 N ATOM 0 H GLN A 94 9.721 -10.484 -12.434 1.00 0.00 H new ATOM 0 HA GLN A 94 9.232 -11.195 -9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.901 -10.609 -10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.676 -10.459 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.328 -12.777 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.766 -13.015 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.556 -14.852 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.184 -14.403 -10.713 1.00 0.00 H new ATOM 1509 N GLN A 95 10.025 -8.587 -9.063 1.00 0.00 N ATOM 1510 CA GLN A 95 9.825 -7.123 -8.862 1.00 0.00 C ATOM 1511 C GLN A 95 11.168 -6.397 -8.968 1.00 0.00 C ATOM 1512 O GLN A 95 12.101 -6.683 -8.243 1.00 0.00 O ATOM 1513 CB GLN A 95 9.224 -6.862 -7.474 1.00 0.00 C ATOM 1514 CG GLN A 95 8.402 -8.071 -7.019 1.00 0.00 C ATOM 1515 CD GLN A 95 7.509 -8.546 -8.165 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.613 -9.674 -8.607 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.628 -7.727 -8.670 1.00 0.00 N ATOM 0 H GLN A 95 10.500 -9.070 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 95 9.145 -6.753 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.020 -6.663 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.593 -5.974 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.065 -8.876 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.792 -7.804 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.540 -6.781 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.027 -8.033 -9.435 1.00 0.00 H new ATOM 1526 N TYR A 96 11.267 -5.449 -9.858 1.00 0.00 N ATOM 1527 CA TYR A 96 12.539 -4.689 -10.005 1.00 0.00 C ATOM 1528 C TYR A 96 12.237 -3.198 -9.818 1.00 0.00 C ATOM 1529 O TYR A 96 11.301 -2.679 -10.382 1.00 0.00 O ATOM 1530 CB TYR A 96 13.132 -4.943 -11.399 1.00 0.00 C ATOM 1531 CG TYR A 96 12.418 -4.102 -12.433 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.773 -2.760 -12.607 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.405 -4.666 -13.217 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.117 -1.980 -13.566 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.747 -3.886 -14.176 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.103 -2.543 -14.351 1.00 0.00 C ATOM 1537 OH TYR A 96 10.456 -1.774 -15.296 1.00 0.00 O ATOM 0 H TYR A 96 10.519 -5.167 -10.492 1.00 0.00 H new ATOM 0 HA TYR A 96 13.263 -5.012 -9.257 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.196 -4.705 -11.398 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.042 -5.999 -11.653 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.554 -2.326 -12.001 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.131 -5.702 -13.082 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.393 -0.944 -13.701 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.965 -4.320 -14.781 1.00 0.00 H new ATOM 0 HH TYR A 96 9.781 -2.318 -15.754 1.00 0.00 H new ATOM 1547 N VAL A 97 13.007 -2.507 -9.027 1.00 0.00 N ATOM 1548 CA VAL A 97 12.726 -1.058 -8.814 1.00 0.00 C ATOM 1549 C VAL A 97 13.451 -0.228 -9.870 1.00 0.00 C ATOM 1550 O VAL A 97 14.319 -0.710 -10.569 1.00 0.00 O ATOM 1551 CB VAL A 97 13.218 -0.637 -7.428 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.416 -1.366 -6.353 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.696 -0.997 -7.289 1.00 0.00 C ATOM 0 H VAL A 97 13.812 -2.877 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 97 11.652 -0.891 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 97 13.087 0.438 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.770 -1.063 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.360 -1.114 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.545 -2.442 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.052 -0.699 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.821 -2.073 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.271 -0.476 -8.055 1.00 0.00 H new ATOM 1563 N SER A 98 13.097 1.021 -9.990 1.00 0.00 N ATOM 1564 CA SER A 98 13.761 1.892 -10.995 1.00 0.00 C ATOM 1565 C SER A 98 13.747 3.339 -10.495 1.00 0.00 C ATOM 1566 O SER A 98 12.703 3.905 -10.232 1.00 0.00 O ATOM 1567 CB SER A 98 13.012 1.793 -12.323 1.00 0.00 C ATOM 1568 OG SER A 98 13.854 1.185 -13.293 1.00 0.00 O ATOM 0 H SER A 98 12.374 1.476 -9.433 1.00 0.00 H new ATOM 0 HA SER A 98 14.792 1.571 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.101 1.208 -12.197 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.710 2.785 -12.658 1.00 0.00 H new ATOM 0 HG SER A 98 14.758 1.557 -13.221 1.00 0.00 H new ATOM 1574 N SER A 99 14.898 3.940 -10.354 1.00 0.00 N ATOM 1575 CA SER A 99 14.950 5.347 -9.866 1.00 0.00 C ATOM 1576 C SER A 99 14.320 6.269 -10.913 1.00 0.00 C ATOM 1577 O SER A 99 14.845 6.444 -11.993 1.00 0.00 O ATOM 1578 CB SER A 99 16.407 5.753 -9.644 1.00 0.00 C ATOM 1579 OG SER A 99 17.054 4.756 -8.866 1.00 0.00 O ATOM 0 H SER A 99 15.804 3.517 -10.556 1.00 0.00 H new ATOM 0 HA SER A 99 14.401 5.430 -8.928 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.915 5.871 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.456 6.716 -9.137 1.00 0.00 H new ATOM 0 HG SER A 99 16.653 3.882 -9.056 1.00 0.00 H new ATOM 1585 N GLU A 100 13.196 6.859 -10.609 1.00 0.00 N ATOM 1586 CA GLU A 100 12.543 7.762 -11.598 1.00 0.00 C ATOM 1587 C GLU A 100 12.020 9.012 -10.887 1.00 0.00 C ATOM 1588 O GLU A 100 11.650 8.971 -9.731 1.00 0.00 O ATOM 1589 CB GLU A 100 11.376 7.030 -12.263 1.00 0.00 C ATOM 1590 CG GLU A 100 10.850 7.861 -13.435 1.00 0.00 C ATOM 1591 CD GLU A 100 9.324 7.777 -13.478 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.691 8.441 -12.674 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.814 7.049 -14.313 1.00 0.00 O ATOM 0 H GLU A 100 12.703 6.755 -9.722 1.00 0.00 H new ATOM 0 HA GLU A 100 13.270 8.054 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.701 6.051 -12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.580 6.860 -11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.164 8.899 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.271 7.495 -14.371 1.00 0.00 H new ATOM 1600 N LYS A 101 11.988 10.124 -11.570 1.00 0.00 N ATOM 1601 CA LYS A 101 11.489 11.375 -10.936 1.00 0.00 C ATOM 1602 C LYS A 101 10.908 12.303 -12.003 1.00 0.00 C ATOM 1603 O LYS A 101 11.587 12.708 -12.925 1.00 0.00 O ATOM 1604 CB LYS A 101 12.629 12.075 -10.220 1.00 0.00 C ATOM 1605 CG LYS A 101 12.223 12.241 -8.763 1.00 0.00 C ATOM 1606 CD LYS A 101 13.429 11.989 -7.869 1.00 0.00 C ATOM 1607 CE LYS A 101 13.773 13.264 -7.098 1.00 0.00 C ATOM 1608 NZ LYS A 101 15.194 13.632 -7.356 1.00 0.00 N ATOM 0 H LYS A 101 12.286 10.219 -12.541 1.00 0.00 H new ATOM 0 HA LYS A 101 10.710 11.123 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.546 11.491 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.829 13.045 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.835 13.246 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.422 11.545 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.215 11.178 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.281 11.675 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.114 14.076 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.614 13.111 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.355 14.618 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.819 13.004 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.400 13.531 -8.370 1.00 0.00 H new ATOM 1622 N ASP A 102 9.653 12.645 -11.885 1.00 0.00 N ATOM 1623 CA ASP A 102 9.028 13.549 -12.892 1.00 0.00 C ATOM 1624 C ASP A 102 8.726 12.764 -14.171 1.00 0.00 C ATOM 1625 O ASP A 102 8.193 13.296 -15.124 1.00 0.00 O ATOM 1626 CB ASP A 102 9.986 14.698 -13.212 1.00 0.00 C ATOM 1627 CG ASP A 102 10.675 15.162 -11.928 1.00 0.00 C ATOM 1628 OD1 ASP A 102 10.131 14.915 -10.864 1.00 0.00 O ATOM 1629 OD2 ASP A 102 11.736 15.755 -12.029 1.00 0.00 O ATOM 0 H ASP A 102 9.034 12.337 -11.135 1.00 0.00 H new ATOM 0 HA ASP A 102 8.099 13.952 -12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.730 14.373 -13.939 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.439 15.526 -13.663 1.00 0.00 H new ATOM 1634 N GLY A 103 9.063 11.504 -14.201 1.00 0.00 N ATOM 1635 CA GLY A 103 8.795 10.692 -15.421 1.00 0.00 C ATOM 1636 C GLY A 103 10.003 10.762 -16.356 1.00 0.00 C ATOM 1637 O GLY A 103 9.906 10.479 -17.534 1.00 0.00 O ATOM 0 H GLY A 103 9.512 11.002 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.595 9.657 -15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.906 11.064 -15.930 1.00 0.00 H new ATOM 1641 N LYS A 104 11.141 11.137 -15.841 1.00 0.00 N ATOM 1642 CA LYS A 104 12.354 11.224 -16.700 1.00 0.00 C ATOM 1643 C LYS A 104 13.090 9.883 -16.684 1.00 0.00 C ATOM 1644 O LYS A 104 14.011 9.660 -17.444 1.00 0.00 O ATOM 1645 CB LYS A 104 13.279 12.321 -16.167 1.00 0.00 C ATOM 1646 CG LYS A 104 13.879 11.878 -14.831 1.00 0.00 C ATOM 1647 CD LYS A 104 14.173 13.108 -13.971 1.00 0.00 C ATOM 1648 CE LYS A 104 15.180 14.006 -14.692 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.425 14.108 -13.880 1.00 0.00 N ATOM 0 H LYS A 104 11.283 11.387 -14.862 1.00 0.00 H new ATOM 0 HA LYS A 104 12.058 11.462 -17.722 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.073 12.522 -16.886 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.723 13.250 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.187 11.215 -14.312 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.795 11.313 -15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.252 13.658 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.570 12.802 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.408 13.598 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.753 14.997 -14.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.110 14.718 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.201 14.516 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.835 13.161 -13.752 1.00 0.00 H new ATOM 1663 N ALA A 105 12.691 8.987 -15.822 1.00 0.00 N ATOM 1664 CA ALA A 105 13.368 7.661 -15.758 1.00 0.00 C ATOM 1665 C ALA A 105 14.881 7.864 -15.669 1.00 0.00 C ATOM 1666 O ALA A 105 15.587 7.791 -16.655 1.00 0.00 O ATOM 1667 CB ALA A 105 13.033 6.857 -17.015 1.00 0.00 C ATOM 0 H ALA A 105 11.926 9.116 -15.160 1.00 0.00 H new ATOM 0 HA ALA A 105 13.023 7.119 -14.878 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.528 5.887 -16.969 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.955 6.712 -17.077 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.378 7.399 -17.896 1.00 0.00 H new ATOM 1673 N THR A 106 15.385 8.120 -14.493 1.00 0.00 N ATOM 1674 CA THR A 106 16.852 8.327 -14.338 1.00 0.00 C ATOM 1675 C THR A 106 17.605 7.210 -15.061 1.00 0.00 C ATOM 1676 O THR A 106 18.715 7.392 -15.522 1.00 0.00 O ATOM 1677 CB THR A 106 17.214 8.304 -12.849 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.086 6.979 -12.346 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.278 9.236 -12.079 1.00 0.00 C ATOM 0 H THR A 106 14.843 8.195 -13.632 1.00 0.00 H new ATOM 0 HA THR A 106 17.131 9.289 -14.767 1.00 0.00 H new ATOM 0 HB THR A 106 18.243 8.640 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.140 6.779 -12.188 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.537 9.218 -11.020 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.381 10.252 -12.461 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.248 8.903 -12.206 1.00 0.00 H new ATOM 1687 N GLY A 107 17.013 6.052 -15.160 1.00 0.00 N ATOM 1688 CA GLY A 107 17.696 4.920 -15.848 1.00 0.00 C ATOM 1689 C GLY A 107 18.024 3.832 -14.825 1.00 0.00 C ATOM 1690 O GLY A 107 18.192 2.677 -15.163 1.00 0.00 O ATOM 0 H GLY A 107 16.085 5.840 -14.794 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.056 4.517 -16.633 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.609 5.270 -16.330 1.00 0.00 H new ATOM 1694 N TRP A 108 18.115 4.194 -13.574 1.00 0.00 N ATOM 1695 CA TRP A 108 18.430 3.185 -12.525 1.00 0.00 C ATOM 1696 C TRP A 108 17.318 2.137 -12.476 1.00 0.00 C ATOM 1697 O TRP A 108 16.147 2.460 -12.450 1.00 0.00 O ATOM 1698 CB TRP A 108 18.532 3.879 -11.166 1.00 0.00 C ATOM 1699 CG TRP A 108 19.295 3.014 -10.212 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.645 2.910 -10.173 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.788 2.137 -9.160 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.997 2.030 -9.168 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.891 1.527 -8.515 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.494 1.814 -8.705 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.718 0.632 -7.459 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.321 0.913 -7.643 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.429 0.323 -7.022 1.00 0.00 C ATOM 0 H TRP A 108 17.984 5.147 -13.234 1.00 0.00 H new ATOM 0 HA TRP A 108 19.378 2.701 -12.760 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.030 4.842 -11.276 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.535 4.078 -10.773 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.334 3.430 -10.822 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.959 1.782 -8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.631 2.262 -9.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.576 0.181 -6.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.325 0.673 -7.302 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.286 -0.370 -6.206 1.00 0.00 H new ATOM 1718 N SER A 109 17.676 0.885 -12.459 1.00 0.00 N ATOM 1719 CA SER A 109 16.648 -0.189 -12.405 1.00 0.00 C ATOM 1720 C SER A 109 17.219 -1.379 -11.632 1.00 0.00 C ATOM 1721 O SER A 109 17.961 -2.179 -12.168 1.00 0.00 O ATOM 1722 CB SER A 109 16.291 -0.626 -13.827 1.00 0.00 C ATOM 1723 OG SER A 109 17.414 -1.269 -14.415 1.00 0.00 O ATOM 0 H SER A 109 18.642 0.558 -12.480 1.00 0.00 H new ATOM 0 HA SER A 109 15.751 0.180 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.438 -1.304 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.999 0.238 -14.423 1.00 0.00 H new ATOM 0 HG SER A 109 17.780 -1.927 -13.788 1.00 0.00 H new ATOM 1729 N ALA A 110 16.893 -1.500 -10.375 1.00 0.00 N ATOM 1730 CA ALA A 110 17.434 -2.634 -9.576 1.00 0.00 C ATOM 1731 C ALA A 110 16.500 -3.838 -9.686 1.00 0.00 C ATOM 1732 O ALA A 110 15.321 -3.702 -9.940 1.00 0.00 O ATOM 1733 CB ALA A 110 17.555 -2.216 -8.109 1.00 0.00 C ATOM 0 H ALA A 110 16.277 -0.864 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 110 18.417 -2.905 -9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.951 -3.047 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.228 -1.362 -8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.572 -1.940 -7.727 1.00 0.00 H new ATOM 1739 N PHE A 111 17.025 -5.018 -9.500 1.00 0.00 N ATOM 1740 CA PHE A 111 16.175 -6.238 -9.599 1.00 0.00 C ATOM 1741 C PHE A 111 16.283 -7.053 -8.312 1.00 0.00 C ATOM 1742 O PHE A 111 17.357 -7.280 -7.796 1.00 0.00 O ATOM 1743 CB PHE A 111 16.648 -7.097 -10.774 1.00 0.00 C ATOM 1744 CG PHE A 111 16.769 -6.249 -12.015 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.929 -5.496 -12.235 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.725 -6.219 -12.948 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.045 -4.713 -13.389 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.844 -5.437 -14.102 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.003 -4.684 -14.322 1.00 0.00 C ATOM 0 H PHE A 111 18.007 -5.190 -9.284 1.00 0.00 H new ATOM 0 HA PHE A 111 15.139 -5.937 -9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.610 -7.552 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.944 -7.911 -10.947 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.733 -5.520 -11.515 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.830 -6.798 -12.777 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.939 -4.131 -13.559 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.041 -5.414 -14.824 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.093 -4.080 -15.213 1.00 0.00 H new ATOM 1759 N TYR A 112 15.177 -7.510 -7.797 1.00 0.00 N ATOM 1760 CA TYR A 112 15.217 -8.322 -6.552 1.00 0.00 C ATOM 1761 C TYR A 112 15.470 -9.784 -6.916 1.00 0.00 C ATOM 1762 O TYR A 112 14.588 -10.476 -7.385 1.00 0.00 O ATOM 1763 CB TYR A 112 13.876 -8.210 -5.824 1.00 0.00 C ATOM 1764 CG TYR A 112 14.013 -8.754 -4.423 1.00 0.00 C ATOM 1765 CD1 TYR A 112 15.136 -8.433 -3.652 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.013 -9.579 -3.894 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.261 -8.937 -2.352 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.138 -10.083 -2.594 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.262 -9.762 -1.824 1.00 0.00 C ATOM 1770 OH TYR A 112 14.384 -10.258 -0.542 1.00 0.00 O ATOM 0 H TYR A 112 14.247 -7.356 -8.185 1.00 0.00 H new ATOM 0 HA TYR A 112 16.014 -7.957 -5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.555 -7.169 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.109 -8.763 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.907 -7.796 -4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.146 -9.826 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.128 -8.689 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.367 -10.719 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 112 13.604 -10.812 -0.330 1.00 0.00 H new ATOM 1780 N VAL A 113 16.663 -10.268 -6.701 1.00 0.00 N ATOM 1781 CA VAL A 113 16.950 -11.682 -7.034 1.00 0.00 C ATOM 1782 C VAL A 113 16.634 -12.533 -5.803 1.00 0.00 C ATOM 1783 O VAL A 113 15.725 -12.234 -5.063 1.00 0.00 O ATOM 1784 CB VAL A 113 18.424 -11.837 -7.433 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.586 -13.089 -8.297 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.879 -10.616 -8.244 1.00 0.00 C ATOM 0 H VAL A 113 17.446 -9.743 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 113 16.338 -12.007 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 113 19.029 -11.922 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.632 -13.202 -8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.268 -13.965 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.974 -12.994 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.926 -10.734 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.271 -10.530 -9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.764 -9.715 -7.641 1.00 0.00 H new ATOM 1796 N ASP A 114 17.389 -13.560 -5.550 1.00 0.00 N ATOM 1797 CA ASP A 114 17.120 -14.396 -4.343 1.00 0.00 C ATOM 1798 C ASP A 114 17.475 -13.547 -3.143 1.00 0.00 C ATOM 1799 O ASP A 114 18.599 -13.557 -2.681 1.00 0.00 O ATOM 1800 CB ASP A 114 17.994 -15.652 -4.374 1.00 0.00 C ATOM 1801 CG ASP A 114 17.117 -16.878 -4.636 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.504 -17.355 -3.694 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.072 -17.319 -5.772 1.00 0.00 O ATOM 0 H ASP A 114 18.179 -13.860 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 114 16.078 -14.714 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.752 -15.561 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.521 -15.765 -3.427 1.00 0.00 H new ATOM 1808 N GLY A 115 16.555 -12.747 -2.673 1.00 0.00 N ATOM 1809 CA GLY A 115 16.906 -11.837 -1.558 1.00 0.00 C ATOM 1810 C GLY A 115 18.185 -11.135 -2.000 1.00 0.00 C ATOM 1811 O GLY A 115 19.012 -10.740 -1.203 1.00 0.00 O ATOM 0 H GLY A 115 15.594 -12.688 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.108 -11.119 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.061 -12.391 -0.632 1.00 0.00 H new ATOM 1815 N LYS A 116 18.365 -11.030 -3.301 1.00 0.00 N ATOM 1816 CA LYS A 116 19.607 -10.414 -3.836 1.00 0.00 C ATOM 1817 C LYS A 116 19.288 -9.241 -4.766 1.00 0.00 C ATOM 1818 O LYS A 116 19.441 -9.341 -5.965 1.00 0.00 O ATOM 1819 CB LYS A 116 20.385 -11.471 -4.622 1.00 0.00 C ATOM 1820 CG LYS A 116 21.625 -11.888 -3.830 1.00 0.00 C ATOM 1821 CD LYS A 116 21.873 -13.386 -4.020 1.00 0.00 C ATOM 1822 CE LYS A 116 22.732 -13.910 -2.869 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.851 -12.961 -2.611 1.00 0.00 N ATOM 0 H LYS A 116 17.700 -11.347 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 116 20.196 -10.041 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.752 -12.338 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.678 -11.074 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.492 -11.320 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.487 -11.663 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.924 -13.921 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.373 -13.565 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.125 -14.025 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.127 -14.896 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.607 -13.449 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 24.224 -12.610 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.504 -12.160 -2.046 1.00 0.00 H new ATOM 1837 N TRP A 117 18.869 -8.125 -4.237 1.00 0.00 N ATOM 1838 CA TRP A 117 18.579 -6.968 -5.126 1.00 0.00 C ATOM 1839 C TRP A 117 19.795 -6.719 -6.022 1.00 0.00 C ATOM 1840 O TRP A 117 20.892 -7.154 -5.728 1.00 0.00 O ATOM 1841 CB TRP A 117 18.305 -5.722 -4.286 1.00 0.00 C ATOM 1842 CG TRP A 117 16.854 -5.667 -3.934 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.351 -5.892 -2.701 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.712 -5.376 -4.797 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.978 -5.756 -2.745 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.535 -5.436 -4.015 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.583 -5.066 -6.167 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.276 -5.196 -4.566 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.317 -4.824 -6.721 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.166 -4.887 -5.924 1.00 0.00 C ATOM 0 H TRP A 117 18.717 -7.966 -3.241 1.00 0.00 H new ATOM 0 HA TRP A 117 17.702 -7.185 -5.735 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.910 -5.742 -3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.590 -4.827 -4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.929 -6.138 -1.823 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.365 -5.877 -1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.462 -5.015 -6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.393 -5.249 -3.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.229 -4.587 -7.771 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.196 -4.697 -6.359 1.00 0.00 H new ATOM 1861 N VAL A 118 19.615 -6.027 -7.112 1.00 0.00 N ATOM 1862 CA VAL A 118 20.764 -5.757 -8.023 1.00 0.00 C ATOM 1863 C VAL A 118 20.535 -4.425 -8.739 1.00 0.00 C ATOM 1864 O VAL A 118 19.607 -3.705 -8.438 1.00 0.00 O ATOM 1865 CB VAL A 118 20.876 -6.880 -9.062 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.855 -7.941 -8.571 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.512 -7.532 -9.271 1.00 0.00 C ATOM 0 H VAL A 118 18.722 -5.636 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 118 21.685 -5.711 -7.442 1.00 0.00 H new ATOM 0 HB VAL A 118 21.230 -6.454 -10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.931 -8.737 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.836 -7.490 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.499 -8.356 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.599 -8.329 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.160 -7.949 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.802 -6.785 -9.625 1.00 0.00 H new ATOM 1877 N GLU A 119 21.368 -4.091 -9.687 1.00 0.00 N ATOM 1878 CA GLU A 119 21.183 -2.806 -10.421 1.00 0.00 C ATOM 1879 C GLU A 119 21.873 -2.891 -11.784 1.00 0.00 C ATOM 1880 O GLU A 119 23.068 -3.089 -11.876 1.00 0.00 O ATOM 1881 CB GLU A 119 21.775 -1.652 -9.602 1.00 0.00 C ATOM 1882 CG GLU A 119 23.299 -1.626 -9.754 1.00 0.00 C ATOM 1883 CD GLU A 119 23.677 -0.766 -10.960 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.110 0.305 -11.102 1.00 0.00 O ATOM 1885 OE2 GLU A 119 24.529 -1.192 -11.722 1.00 0.00 O ATOM 0 H GLU A 119 22.167 -4.651 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 119 20.119 -2.623 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.352 -0.704 -9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.508 -1.767 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.758 -1.226 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.680 -2.639 -9.883 1.00 0.00 H new ATOM 1892 N GLY A 120 21.125 -2.746 -12.844 1.00 0.00 N ATOM 1893 CA GLY A 120 21.734 -2.819 -14.202 1.00 0.00 C ATOM 1894 C GLY A 120 21.800 -1.418 -14.810 1.00 0.00 C ATOM 1895 O GLY A 120 20.817 -0.893 -15.293 1.00 0.00 O ATOM 0 H GLY A 120 20.119 -2.580 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.734 -3.247 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.145 -3.476 -14.841 1.00 0.00 H new