USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=19 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 82 ASN : amide:sc= -0.405 K(o=-1.8,f=-4.1!) USER MOD Set 1.2: A 99 SER OG : rot -5:sc= -1.05! USER MOD Set 1.3: A 106 THR OG1 : rot 167:sc= -0.388! USER MOD Set 2.1: A 92 THR OG1 : rot 132:sc= 0.79 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.53! C(o=-0.74!,f=-6.1!) USER MOD Set 3.1: A 26 TYR OH : rot 70:sc= 0.172 USER MOD Set 3.2: A 41 ASN : amide:sc= -2.49! C(o=-2.3!,f=-10!) USER MOD Single : A 20 CYS SG : rot 2:sc= -20.2! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 160:sc= -0.351 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -112:sc= -1.68! USER MOD Single : A 49 THR OG1 : rot 94:sc= -0.092! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -148:sc= -0.102 (180deg=-0.639) USER MOD Single : A 70 TYR OH : rot -140:sc= 0.844 USER MOD Single : A 76 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -90:sc= -4.1! USER MOD Single : A 85 MET CE :methyl 158:sc= -4.75! (180deg=-7.38!) USER MOD Single : A 89 SER OG : rot 59:sc= 0.859 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 48:sc= 0.609 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 68:sc= 1.2 USER MOD Single : A 112 TYR OH : rot 156:sc= -1.27! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.982 -6.323 -0.647 1.00 0.00 N ATOM 160 CA PRO A 12 -6.788 -6.923 -0.067 1.00 0.00 C ATOM 161 C PRO A 12 -6.124 -5.992 0.961 1.00 0.00 C ATOM 162 O PRO A 12 -6.214 -6.215 2.152 1.00 0.00 O ATOM 163 CB PRO A 12 -5.876 -7.162 -1.264 1.00 0.00 C ATOM 164 CG PRO A 12 -6.875 -7.362 -2.446 1.00 0.00 C ATOM 165 CD PRO A 12 -8.122 -6.495 -2.103 1.00 0.00 C ATOM 0 HA PRO A 12 -7.012 -7.838 0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.212 -6.316 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.244 -8.038 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.430 -7.049 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.147 -8.412 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.113 -5.541 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.053 -6.996 -2.367 1.00 0.00 H new ATOM 173 N VAL A 13 -5.447 -4.962 0.521 1.00 0.00 N ATOM 174 CA VAL A 13 -4.774 -4.049 1.494 1.00 0.00 C ATOM 175 C VAL A 13 -5.062 -2.591 1.127 1.00 0.00 C ATOM 176 O VAL A 13 -4.173 -1.866 0.726 1.00 0.00 O ATOM 177 CB VAL A 13 -3.264 -4.296 1.460 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.545 -3.181 2.223 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.956 -5.642 2.118 1.00 0.00 C ATOM 0 H VAL A 13 -5.331 -4.715 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.156 -4.247 2.496 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.921 -4.307 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.470 -3.358 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.766 -2.221 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.887 -3.169 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.881 -5.821 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.300 -5.629 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.468 -6.437 1.576 1.00 0.00 H new ATOM 189 N PRO A 14 -6.301 -2.203 1.282 1.00 0.00 N ATOM 190 CA PRO A 14 -6.730 -0.846 0.983 1.00 0.00 C ATOM 191 C PRO A 14 -5.848 0.168 1.714 1.00 0.00 C ATOM 192 O PRO A 14 -5.594 0.037 2.896 1.00 0.00 O ATOM 193 CB PRO A 14 -8.163 -0.775 1.501 1.00 0.00 C ATOM 194 CG PRO A 14 -8.634 -2.262 1.479 1.00 0.00 C ATOM 195 CD PRO A 14 -7.359 -3.103 1.766 1.00 0.00 C ATOM 0 HA PRO A 14 -6.659 -0.614 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.206 -0.356 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.788 -0.147 0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.401 -2.442 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.067 -2.523 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.249 -3.333 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.365 -4.053 1.232 1.00 0.00 H new ATOM 203 N LEU A 15 -5.387 1.192 1.036 1.00 0.00 N ATOM 204 CA LEU A 15 -4.544 2.205 1.731 1.00 0.00 C ATOM 205 C LEU A 15 -5.207 3.590 1.654 1.00 0.00 C ATOM 206 O LEU A 15 -4.570 4.555 1.284 1.00 0.00 O ATOM 207 CB LEU A 15 -3.158 2.256 1.087 1.00 0.00 C ATOM 208 CG LEU A 15 -2.481 0.892 1.237 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.763 0.527 -0.061 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.465 0.953 2.379 1.00 0.00 C ATOM 0 H LEU A 15 -5.557 1.366 0.045 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.443 1.921 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.244 2.518 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.553 3.029 1.560 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.236 0.137 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.282 -0.445 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.485 0.484 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.009 1.282 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.981 -0.018 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.713 1.710 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.976 1.210 3.307 1.00 0.00 H new ATOM 222 N PRO A 16 -6.466 3.647 2.037 1.00 0.00 N ATOM 223 CA PRO A 16 -7.232 4.882 2.060 1.00 0.00 C ATOM 224 C PRO A 16 -6.361 6.084 2.454 1.00 0.00 C ATOM 225 O PRO A 16 -6.652 7.207 2.092 1.00 0.00 O ATOM 226 CB PRO A 16 -8.313 4.630 3.098 1.00 0.00 C ATOM 227 CG PRO A 16 -8.511 3.077 3.074 1.00 0.00 C ATOM 228 CD PRO A 16 -7.214 2.461 2.464 1.00 0.00 C ATOM 0 HA PRO A 16 -7.638 5.129 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.007 4.978 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.236 5.153 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.683 2.695 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.383 2.809 2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.660 1.875 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.435 1.798 1.627 1.00 0.00 H new ATOM 236 N GLU A 17 -5.293 5.871 3.180 1.00 0.00 N ATOM 237 CA GLU A 17 -4.420 7.018 3.570 1.00 0.00 C ATOM 238 C GLU A 17 -3.516 7.419 2.392 1.00 0.00 C ATOM 239 O GLU A 17 -2.478 8.022 2.575 1.00 0.00 O ATOM 240 CB GLU A 17 -3.549 6.609 4.760 1.00 0.00 C ATOM 241 CG GLU A 17 -3.781 7.579 5.920 1.00 0.00 C ATOM 242 CD GLU A 17 -2.615 8.566 6.003 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.956 8.759 4.995 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.401 9.111 7.073 1.00 0.00 O ATOM 0 H GLU A 17 -4.989 4.958 3.518 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.047 7.867 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.791 5.592 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.497 6.613 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.717 8.118 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.872 7.028 6.856 1.00 0.00 H new ATOM 251 N LEU A 18 -3.905 7.099 1.184 1.00 0.00 N ATOM 252 CA LEU A 18 -3.083 7.463 -0.001 1.00 0.00 C ATOM 253 C LEU A 18 -4.030 7.805 -1.158 1.00 0.00 C ATOM 254 O LEU A 18 -4.483 6.925 -1.863 1.00 0.00 O ATOM 255 CB LEU A 18 -2.201 6.275 -0.393 1.00 0.00 C ATOM 256 CG LEU A 18 -0.817 6.777 -0.802 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.245 6.133 0.090 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.553 6.400 -2.261 1.00 0.00 C ATOM 0 H LEU A 18 -4.766 6.596 0.970 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.447 8.318 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.115 5.581 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.658 5.726 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.775 7.860 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.232 6.492 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.056 6.398 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.205 5.049 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.434 6.757 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.595 5.316 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.310 6.858 -2.898 1.00 0.00 H new ATOM 270 N PRO A 19 -4.317 9.075 -1.308 1.00 0.00 N ATOM 271 CA PRO A 19 -5.218 9.546 -2.349 1.00 0.00 C ATOM 272 C PRO A 19 -4.887 8.896 -3.695 1.00 0.00 C ATOM 273 O PRO A 19 -3.746 8.610 -3.998 1.00 0.00 O ATOM 274 CB PRO A 19 -4.988 11.049 -2.400 1.00 0.00 C ATOM 275 CG PRO A 19 -4.496 11.393 -0.958 1.00 0.00 C ATOM 276 CD PRO A 19 -3.750 10.126 -0.447 1.00 0.00 C ATOM 0 HA PRO A 19 -6.258 9.293 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.245 11.316 -3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.902 11.587 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.834 12.259 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.335 11.641 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.670 10.212 -0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.942 9.937 0.609 1.00 0.00 H new ATOM 284 N CYS A 20 -5.886 8.663 -4.503 1.00 0.00 N ATOM 285 CA CYS A 20 -5.648 8.032 -5.831 1.00 0.00 C ATOM 286 C CYS A 20 -5.700 9.102 -6.925 1.00 0.00 C ATOM 287 O CYS A 20 -4.683 9.552 -7.417 1.00 0.00 O ATOM 288 CB CYS A 20 -6.733 6.987 -6.095 1.00 0.00 C ATOM 289 SG CYS A 20 -5.959 5.399 -6.486 1.00 0.00 S ATOM 0 H CYS A 20 -6.861 8.884 -4.298 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.668 7.555 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.375 6.885 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.368 7.307 -6.921 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.667 5.513 -6.400 1.00 0.00 H new ATOM 295 N GLU A 21 -6.879 9.511 -7.311 1.00 0.00 N ATOM 296 CA GLU A 21 -6.997 10.549 -8.373 1.00 0.00 C ATOM 297 C GLU A 21 -7.196 11.919 -7.725 1.00 0.00 C ATOM 298 O GLU A 21 -7.984 12.724 -8.181 1.00 0.00 O ATOM 299 CB GLU A 21 -8.198 10.228 -9.268 1.00 0.00 C ATOM 300 CG GLU A 21 -7.812 10.431 -10.734 1.00 0.00 C ATOM 301 CD GLU A 21 -9.067 10.369 -11.606 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.140 10.629 -11.085 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.936 10.063 -12.779 1.00 0.00 O ATOM 0 H GLU A 21 -7.765 9.171 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.088 10.560 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.521 9.200 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.039 10.871 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.316 11.393 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.103 9.663 -11.044 1.00 0.00 H new ATOM 310 N LYS A 22 -6.488 12.192 -6.664 1.00 0.00 N ATOM 311 CA LYS A 22 -6.640 13.510 -5.988 1.00 0.00 C ATOM 312 C LYS A 22 -8.108 13.722 -5.618 1.00 0.00 C ATOM 313 O LYS A 22 -8.565 14.836 -5.459 1.00 0.00 O ATOM 314 CB LYS A 22 -6.184 14.624 -6.932 1.00 0.00 C ATOM 315 CG LYS A 22 -5.683 15.815 -6.113 1.00 0.00 C ATOM 316 CD LYS A 22 -4.189 16.019 -6.371 1.00 0.00 C ATOM 317 CE LYS A 22 -3.998 16.881 -7.620 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.586 18.256 -7.217 1.00 0.00 N ATOM 0 H LYS A 22 -5.811 11.560 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.030 13.530 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.391 14.259 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.010 14.932 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.236 16.715 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.859 15.640 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.723 16.499 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.697 15.055 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.241 16.438 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.925 16.921 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.456 18.842 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.322 18.677 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.692 18.209 -6.688 1.00 0.00 H new ATOM 332 N SER A 23 -8.852 12.657 -5.481 1.00 0.00 N ATOM 333 CA SER A 23 -10.292 12.797 -5.124 1.00 0.00 C ATOM 334 C SER A 23 -10.577 12.007 -3.846 1.00 0.00 C ATOM 335 O SER A 23 -9.697 11.770 -3.042 1.00 0.00 O ATOM 336 CB SER A 23 -11.154 12.250 -6.262 1.00 0.00 C ATOM 337 OG SER A 23 -12.158 13.201 -6.590 1.00 0.00 O ATOM 0 H SER A 23 -8.525 11.698 -5.601 1.00 0.00 H new ATOM 0 HA SER A 23 -10.527 13.849 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.535 12.042 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.613 11.307 -5.965 1.00 0.00 H new ATOM 0 HG SER A 23 -12.711 12.854 -7.321 1.00 0.00 H new ATOM 343 N ASP A 24 -11.799 11.592 -3.653 1.00 0.00 N ATOM 344 CA ASP A 24 -12.133 10.812 -2.430 1.00 0.00 C ATOM 345 C ASP A 24 -11.643 9.374 -2.602 1.00 0.00 C ATOM 346 O ASP A 24 -11.786 8.550 -1.721 1.00 0.00 O ATOM 347 CB ASP A 24 -13.648 10.814 -2.218 1.00 0.00 C ATOM 348 CG ASP A 24 -13.956 10.739 -0.722 1.00 0.00 C ATOM 349 OD1 ASP A 24 -13.730 11.726 -0.041 1.00 0.00 O ATOM 350 OD2 ASP A 24 -14.411 9.696 -0.282 1.00 0.00 O ATOM 0 H ASP A 24 -12.579 11.759 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.648 11.264 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.084 11.717 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.099 9.967 -2.735 1.00 0.00 H new ATOM 355 N ALA A 25 -11.065 9.065 -3.732 1.00 0.00 N ATOM 356 CA ALA A 25 -10.568 7.682 -3.956 1.00 0.00 C ATOM 357 C ALA A 25 -9.219 7.512 -3.258 1.00 0.00 C ATOM 358 O ALA A 25 -8.650 8.456 -2.745 1.00 0.00 O ATOM 359 CB ALA A 25 -10.402 7.437 -5.457 1.00 0.00 C ATOM 0 H ALA A 25 -10.917 9.711 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.282 6.966 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.038 6.423 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.364 7.562 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.686 8.151 -5.865 1.00 0.00 H new ATOM 365 N TYR A 26 -8.703 6.316 -3.233 1.00 0.00 N ATOM 366 CA TYR A 26 -7.391 6.085 -2.567 1.00 0.00 C ATOM 367 C TYR A 26 -6.636 4.984 -3.312 1.00 0.00 C ATOM 368 O TYR A 26 -6.983 4.629 -4.422 1.00 0.00 O ATOM 369 CB TYR A 26 -7.619 5.665 -1.113 1.00 0.00 C ATOM 370 CG TYR A 26 -8.935 4.933 -0.990 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.135 5.652 -0.934 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.955 3.534 -0.931 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.353 4.974 -0.819 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.174 2.856 -0.816 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.373 3.575 -0.760 1.00 0.00 C ATOM 376 OH TYR A 26 -12.574 2.906 -0.646 1.00 0.00 O ATOM 0 H TYR A 26 -9.133 5.488 -3.645 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.804 7.004 -2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.804 5.024 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.620 6.543 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.120 6.731 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.030 2.978 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.278 5.530 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.189 1.777 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.075 2.989 -1.484 1.00 0.00 H new ATOM 386 N PHE A 27 -5.601 4.445 -2.727 1.00 0.00 N ATOM 387 CA PHE A 27 -4.834 3.381 -3.431 1.00 0.00 C ATOM 388 C PHE A 27 -4.864 2.070 -2.641 1.00 0.00 C ATOM 389 O PHE A 27 -4.096 1.862 -1.726 1.00 0.00 O ATOM 390 CB PHE A 27 -3.383 3.833 -3.605 1.00 0.00 C ATOM 391 CG PHE A 27 -3.173 4.309 -5.022 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.697 3.574 -6.092 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.459 5.488 -5.266 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.505 4.015 -7.406 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.267 5.930 -6.581 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.791 5.194 -7.651 1.00 0.00 C ATOM 0 H PHE A 27 -5.256 4.693 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.294 3.210 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.153 4.634 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.705 3.009 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.250 2.666 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.056 6.056 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.908 3.446 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.715 6.839 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.644 5.536 -8.665 1.00 0.00 H new ATOM 406 N VAL A 28 -5.735 1.172 -3.002 1.00 0.00 N ATOM 407 CA VAL A 28 -5.792 -0.131 -2.293 1.00 0.00 C ATOM 408 C VAL A 28 -4.718 -1.055 -2.871 1.00 0.00 C ATOM 409 O VAL A 28 -4.775 -1.445 -4.020 1.00 0.00 O ATOM 410 CB VAL A 28 -7.170 -0.766 -2.494 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.217 -2.121 -1.791 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.247 0.147 -1.910 1.00 0.00 C ATOM 0 H VAL A 28 -6.410 1.286 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.619 0.021 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.350 -0.903 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.199 -2.572 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.452 -2.775 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.033 -1.985 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.227 -0.308 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.066 0.288 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.217 1.113 -2.414 1.00 0.00 H new ATOM 422 N LEU A 29 -3.737 -1.407 -2.086 1.00 0.00 N ATOM 423 CA LEU A 29 -2.661 -2.302 -2.598 1.00 0.00 C ATOM 424 C LEU A 29 -3.271 -3.626 -3.060 1.00 0.00 C ATOM 425 O LEU A 29 -3.575 -4.493 -2.266 1.00 0.00 O ATOM 426 CB LEU A 29 -1.644 -2.570 -1.488 1.00 0.00 C ATOM 427 CG LEU A 29 -0.599 -3.570 -1.985 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.575 -2.817 -2.613 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.095 -4.407 -0.807 1.00 0.00 C ATOM 0 H LEU A 29 -3.634 -1.114 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.162 -1.820 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.160 -1.640 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.148 -2.963 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.050 -4.224 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.318 -3.532 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.217 -2.220 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.027 -2.162 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.650 -5.120 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.355 -3.752 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.930 -4.946 -0.360 1.00 0.00 H new ATOM 441 N ARG A 30 -3.448 -3.789 -4.341 1.00 0.00 N ATOM 442 CA ARG A 30 -4.032 -5.058 -4.857 1.00 0.00 C ATOM 443 C ARG A 30 -2.934 -5.876 -5.539 1.00 0.00 C ATOM 444 O ARG A 30 -1.881 -5.365 -5.866 1.00 0.00 O ATOM 445 CB ARG A 30 -5.137 -4.738 -5.867 1.00 0.00 C ATOM 446 CG ARG A 30 -6.500 -4.828 -5.177 1.00 0.00 C ATOM 447 CD ARG A 30 -6.980 -3.425 -4.807 1.00 0.00 C ATOM 448 NE ARG A 30 -7.186 -2.627 -6.049 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.392 -2.437 -6.510 1.00 0.00 C ATOM 450 NH1 ARG A 30 -8.941 -3.328 -7.291 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.050 -1.356 -6.191 1.00 0.00 N ATOM 0 H ARG A 30 -3.213 -3.098 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.454 -5.631 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.991 -3.739 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.094 -5.436 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.222 -5.308 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.426 -5.446 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.910 -3.484 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.247 -2.936 -4.165 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.384 -2.229 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.427 -4.173 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.884 -3.179 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.622 -0.659 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.993 -1.208 -6.551 1.00 0.00 H new ATOM 465 N ASP A 31 -3.168 -7.140 -5.754 1.00 0.00 N ATOM 466 CA ASP A 31 -2.132 -7.984 -6.411 1.00 0.00 C ATOM 467 C ASP A 31 -2.735 -8.663 -7.643 1.00 0.00 C ATOM 468 O ASP A 31 -3.362 -9.699 -7.548 1.00 0.00 O ATOM 469 CB ASP A 31 -1.642 -9.050 -5.429 1.00 0.00 C ATOM 470 CG ASP A 31 -2.806 -9.967 -5.050 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.825 -9.453 -4.619 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.659 -11.170 -5.196 1.00 0.00 O ATOM 0 H ASP A 31 -4.030 -7.625 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.293 -7.358 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.838 -9.632 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.232 -8.577 -4.537 1.00 0.00 H new ATOM 477 N GLY A 32 -2.550 -8.087 -8.800 1.00 0.00 N ATOM 478 CA GLY A 32 -3.113 -8.701 -10.035 1.00 0.00 C ATOM 479 C GLY A 32 -2.467 -10.068 -10.267 1.00 0.00 C ATOM 480 O GLY A 32 -2.171 -10.791 -9.337 1.00 0.00 O ATOM 0 H GLY A 32 -2.034 -7.219 -8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.193 -8.809 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.932 -8.052 -10.892 1.00 0.00 H new ATOM 484 N ALA A 33 -2.245 -10.428 -11.501 1.00 0.00 N ATOM 485 CA ALA A 33 -1.617 -11.748 -11.791 1.00 0.00 C ATOM 486 C ALA A 33 -0.197 -11.533 -12.318 1.00 0.00 C ATOM 487 O ALA A 33 0.577 -12.460 -12.440 1.00 0.00 O ATOM 488 CB ALA A 33 -2.445 -12.488 -12.842 1.00 0.00 C ATOM 0 H ALA A 33 -2.471 -9.865 -12.321 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.579 -12.340 -10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.985 -13.453 -13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.456 -12.642 -12.466 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.484 -11.896 -13.757 1.00 0.00 H new ATOM 494 N ALA A 34 0.151 -10.315 -12.632 1.00 0.00 N ATOM 495 CA ALA A 34 1.521 -10.042 -13.151 1.00 0.00 C ATOM 496 C ALA A 34 2.440 -9.659 -11.991 1.00 0.00 C ATOM 497 O ALA A 34 3.613 -9.974 -11.985 1.00 0.00 O ATOM 498 CB ALA A 34 1.465 -8.893 -14.160 1.00 0.00 C ATOM 0 H ALA A 34 -0.454 -9.498 -12.552 1.00 0.00 H new ATOM 0 HA ALA A 34 1.908 -10.936 -13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.467 -8.693 -14.540 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.811 -9.167 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.077 -7.999 -13.672 1.00 0.00 H new ATOM 504 N GLY A 35 1.918 -8.980 -11.006 1.00 0.00 N ATOM 505 CA GLY A 35 2.765 -8.578 -9.847 1.00 0.00 C ATOM 506 C GLY A 35 1.927 -7.769 -8.856 1.00 0.00 C ATOM 507 O GLY A 35 0.752 -7.539 -9.064 1.00 0.00 O ATOM 0 H GLY A 35 0.943 -8.686 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.173 -9.462 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.613 -7.985 -10.191 1.00 0.00 H new ATOM 511 N VAL A 36 2.521 -7.334 -7.778 1.00 0.00 N ATOM 512 CA VAL A 36 1.756 -6.540 -6.775 1.00 0.00 C ATOM 513 C VAL A 36 1.542 -5.122 -7.304 1.00 0.00 C ATOM 514 O VAL A 36 2.179 -4.697 -8.247 1.00 0.00 O ATOM 515 CB VAL A 36 2.542 -6.480 -5.464 1.00 0.00 C ATOM 516 CG1 VAL A 36 3.008 -7.884 -5.083 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.761 -5.570 -5.641 1.00 0.00 C ATOM 0 H VAL A 36 3.502 -7.494 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 36 0.790 -7.013 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 36 1.902 -6.083 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.568 -7.841 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.142 -8.533 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.647 -8.282 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.321 -5.527 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.400 -5.967 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.430 -4.567 -5.912 1.00 0.00 H new ATOM 527 N PHE A 37 0.650 -4.384 -6.703 1.00 0.00 N ATOM 528 CA PHE A 37 0.395 -2.994 -7.169 1.00 0.00 C ATOM 529 C PHE A 37 -0.702 -2.361 -6.310 1.00 0.00 C ATOM 530 O PHE A 37 -1.115 -2.909 -5.308 1.00 0.00 O ATOM 531 CB PHE A 37 -0.037 -3.021 -8.643 1.00 0.00 C ATOM 532 CG PHE A 37 -1.507 -3.358 -8.747 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.973 -4.608 -8.322 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.403 -2.416 -9.265 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.336 -4.915 -8.414 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.765 -2.723 -9.358 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.232 -3.971 -8.933 1.00 0.00 C ATOM 0 H PHE A 37 0.086 -4.685 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 37 1.305 -2.402 -7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.156 -2.052 -9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.552 -3.757 -9.189 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.281 -5.335 -7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.043 -1.452 -9.593 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.696 -5.879 -8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.456 -1.996 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.283 -4.207 -9.005 1.00 0.00 H new ATOM 547 N LEU A 38 -1.181 -1.212 -6.698 1.00 0.00 N ATOM 548 CA LEU A 38 -2.255 -0.545 -5.909 1.00 0.00 C ATOM 549 C LEU A 38 -3.222 0.156 -6.863 1.00 0.00 C ATOM 550 O LEU A 38 -2.936 1.217 -7.381 1.00 0.00 O ATOM 551 CB LEU A 38 -1.641 0.489 -4.960 1.00 0.00 C ATOM 552 CG LEU A 38 -0.211 0.080 -4.600 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.740 0.522 -5.712 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.194 0.750 -3.285 1.00 0.00 C ATOM 0 H LEU A 38 -0.875 -0.705 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.789 -1.295 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.640 1.472 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.244 0.569 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.159 -1.003 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.759 0.231 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.451 0.046 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.689 1.605 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.212 0.460 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.143 1.833 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.485 0.435 -2.492 1.00 0.00 H new ATOM 566 N ALA A 39 -4.368 -0.425 -7.100 1.00 0.00 N ATOM 567 CA ALA A 39 -5.345 0.221 -8.020 1.00 0.00 C ATOM 568 C ALA A 39 -6.255 1.148 -7.217 1.00 0.00 C ATOM 569 O ALA A 39 -6.467 0.959 -6.035 1.00 0.00 O ATOM 570 CB ALA A 39 -6.200 -0.848 -8.706 1.00 0.00 C ATOM 0 H ALA A 39 -4.667 -1.314 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.804 0.791 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.912 -0.369 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.557 -1.517 -9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.741 -1.420 -7.952 1.00 0.00 H new ATOM 576 N ALA A 40 -6.802 2.148 -7.850 1.00 0.00 N ATOM 577 CA ALA A 40 -7.704 3.080 -7.124 1.00 0.00 C ATOM 578 C ALA A 40 -8.944 2.312 -6.664 1.00 0.00 C ATOM 579 O ALA A 40 -9.522 1.548 -7.412 1.00 0.00 O ATOM 580 CB ALA A 40 -8.119 4.216 -8.060 1.00 0.00 C ATOM 0 H ALA A 40 -6.663 2.359 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.190 3.498 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.781 4.901 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.232 4.754 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.640 3.804 -8.924 1.00 0.00 H new ATOM 586 N ASN A 41 -9.357 2.499 -5.441 1.00 0.00 N ATOM 587 CA ASN A 41 -10.558 1.769 -4.945 1.00 0.00 C ATOM 588 C ASN A 41 -11.807 2.310 -5.646 1.00 0.00 C ATOM 589 O ASN A 41 -12.887 1.770 -5.514 1.00 0.00 O ATOM 590 CB ASN A 41 -10.688 1.964 -3.432 1.00 0.00 C ATOM 591 CG ASN A 41 -12.086 1.540 -2.973 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.985 2.353 -2.897 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.307 0.292 -2.663 1.00 0.00 N ATOM 0 H ASN A 41 -8.917 3.124 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.454 0.706 -5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.931 1.375 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.512 3.008 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.235 -0.001 -2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.552 -0.391 -2.727 1.00 0.00 H new ATOM 600 N THR A 42 -11.668 3.370 -6.395 1.00 0.00 N ATOM 601 CA THR A 42 -12.848 3.938 -7.105 1.00 0.00 C ATOM 602 C THR A 42 -12.918 3.362 -8.523 1.00 0.00 C ATOM 603 O THR A 42 -13.780 3.719 -9.299 1.00 0.00 O ATOM 604 CB THR A 42 -12.717 5.462 -7.176 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.429 5.801 -7.671 1.00 0.00 O ATOM 606 CG2 THR A 42 -12.904 6.058 -5.781 1.00 0.00 C ATOM 0 H THR A 42 -10.790 3.866 -6.545 1.00 0.00 H new ATOM 0 HA THR A 42 -13.758 3.678 -6.564 1.00 0.00 H new ATOM 0 HB THR A 42 -13.480 5.863 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.443 6.717 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.810 7.143 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.893 5.797 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.143 5.660 -5.110 1.00 0.00 H new ATOM 614 N PHE A 43 -12.017 2.472 -8.857 1.00 0.00 N ATOM 615 CA PHE A 43 -12.015 1.857 -10.220 1.00 0.00 C ATOM 616 C PHE A 43 -13.457 1.625 -10.688 1.00 0.00 C ATOM 617 O PHE A 43 -14.310 1.279 -9.894 1.00 0.00 O ATOM 618 CB PHE A 43 -11.282 0.513 -10.151 1.00 0.00 C ATOM 619 CG PHE A 43 -11.404 -0.206 -11.473 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.572 -0.915 -11.780 1.00 0.00 C ATOM 621 CD2 PHE A 43 -10.349 -0.161 -12.392 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.684 -1.580 -13.007 1.00 0.00 C ATOM 623 CE2 PHE A 43 -10.461 -0.827 -13.619 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.628 -1.536 -13.926 1.00 0.00 C ATOM 0 H PHE A 43 -11.276 2.142 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.515 2.523 -10.923 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.231 0.674 -9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.702 -0.100 -9.353 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.386 -0.949 -11.071 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.449 0.387 -12.155 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.584 -2.127 -13.245 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.647 -0.793 -14.328 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.714 -2.050 -14.872 1.00 0.00 H new ATOM 634 N PRO A 44 -13.692 1.816 -11.966 1.00 0.00 N ATOM 635 CA PRO A 44 -12.665 2.233 -12.914 1.00 0.00 C ATOM 636 C PRO A 44 -12.398 3.738 -12.802 1.00 0.00 C ATOM 637 O PRO A 44 -11.577 4.280 -13.516 1.00 0.00 O ATOM 638 CB PRO A 44 -13.265 1.910 -14.276 1.00 0.00 C ATOM 639 CG PRO A 44 -14.804 2.005 -14.030 1.00 0.00 C ATOM 640 CD PRO A 44 -15.027 1.604 -12.543 1.00 0.00 C ATOM 0 HA PRO A 44 -11.712 1.734 -12.737 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.936 2.617 -15.037 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.974 0.917 -14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.168 3.015 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.348 1.339 -14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.783 2.225 -12.062 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.355 0.569 -12.444 1.00 0.00 H new ATOM 648 N LYS A 45 -13.086 4.415 -11.920 1.00 0.00 N ATOM 649 CA LYS A 45 -12.877 5.883 -11.762 1.00 0.00 C ATOM 650 C LYS A 45 -11.387 6.207 -11.884 1.00 0.00 C ATOM 651 O LYS A 45 -11.007 7.278 -12.314 1.00 0.00 O ATOM 652 CB LYS A 45 -13.387 6.317 -10.386 1.00 0.00 C ATOM 653 CG LYS A 45 -12.892 7.730 -10.085 1.00 0.00 C ATOM 654 CD LYS A 45 -13.592 8.263 -8.833 1.00 0.00 C ATOM 655 CE LYS A 45 -14.289 9.585 -9.162 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.754 9.446 -8.924 1.00 0.00 N ATOM 0 H LYS A 45 -13.787 4.011 -11.299 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.423 6.416 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.476 6.289 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.035 5.625 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.812 7.724 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.093 8.385 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.320 7.536 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.867 8.411 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.884 10.386 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.103 9.858 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.229 10.344 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.135 8.693 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.922 9.204 -7.927 1.00 0.00 H new ATOM 670 N SER A 46 -10.542 5.287 -11.513 1.00 0.00 N ATOM 671 CA SER A 46 -9.077 5.536 -11.613 1.00 0.00 C ATOM 672 C SER A 46 -8.375 4.233 -11.993 1.00 0.00 C ATOM 673 O SER A 46 -8.347 3.287 -11.231 1.00 0.00 O ATOM 674 CB SER A 46 -8.550 6.032 -10.266 1.00 0.00 C ATOM 675 OG SER A 46 -8.483 7.452 -10.282 1.00 0.00 O ATOM 0 H SER A 46 -10.802 4.372 -11.144 1.00 0.00 H new ATOM 0 HA SER A 46 -8.882 6.292 -12.373 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.204 5.696 -9.461 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.563 5.612 -10.072 1.00 0.00 H new ATOM 0 HG SER A 46 -7.545 7.735 -10.261 1.00 0.00 H new ATOM 681 N ARG A 47 -7.809 4.172 -13.167 1.00 0.00 N ATOM 682 CA ARG A 47 -7.116 2.926 -13.593 1.00 0.00 C ATOM 683 C ARG A 47 -5.652 2.987 -13.161 1.00 0.00 C ATOM 684 O ARG A 47 -4.807 2.295 -13.694 1.00 0.00 O ATOM 685 CB ARG A 47 -7.195 2.793 -15.115 1.00 0.00 C ATOM 686 CG ARG A 47 -8.105 1.619 -15.479 1.00 0.00 C ATOM 687 CD ARG A 47 -7.869 1.222 -16.937 1.00 0.00 C ATOM 688 NE ARG A 47 -8.896 1.870 -17.801 1.00 0.00 N ATOM 689 CZ ARG A 47 -9.002 1.529 -19.057 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.265 0.292 -19.376 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.844 2.425 -19.991 1.00 0.00 N ATOM 0 H ARG A 47 -7.797 4.931 -13.848 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.597 2.065 -13.129 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.581 3.714 -15.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.199 2.637 -15.529 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.903 0.772 -14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.149 1.895 -15.331 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.870 1.526 -17.251 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.920 0.138 -17.043 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.516 2.580 -17.411 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.388 -0.408 -18.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.348 0.025 -20.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.638 3.392 -19.740 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.927 2.159 -20.972 1.00 0.00 H new ATOM 705 N GLU A 48 -5.344 3.806 -12.193 1.00 0.00 N ATOM 706 CA GLU A 48 -3.935 3.904 -11.724 1.00 0.00 C ATOM 707 C GLU A 48 -3.530 2.582 -11.072 1.00 0.00 C ATOM 708 O GLU A 48 -3.927 2.277 -9.966 1.00 0.00 O ATOM 709 CB GLU A 48 -3.812 5.037 -10.703 1.00 0.00 C ATOM 710 CG GLU A 48 -4.461 6.304 -11.264 1.00 0.00 C ATOM 711 CD GLU A 48 -5.069 7.116 -10.119 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.092 6.612 -9.009 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.500 8.229 -10.372 1.00 0.00 O ATOM 0 H GLU A 48 -6.007 4.410 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.281 4.111 -12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.295 4.752 -9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.762 5.224 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.719 6.901 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.233 6.040 -11.987 1.00 0.00 H new ATOM 720 N THR A 49 -2.750 1.788 -11.752 1.00 0.00 N ATOM 721 CA THR A 49 -2.330 0.484 -11.168 1.00 0.00 C ATOM 722 C THR A 49 -0.863 0.214 -11.514 1.00 0.00 C ATOM 723 O THR A 49 -0.432 0.408 -12.633 1.00 0.00 O ATOM 724 CB THR A 49 -3.204 -0.637 -11.739 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.458 -1.847 -11.770 1.00 0.00 O ATOM 726 CG2 THR A 49 -3.648 -0.276 -13.158 1.00 0.00 C ATOM 0 H THR A 49 -2.386 1.985 -12.684 1.00 0.00 H new ATOM 0 HA THR A 49 -2.445 0.520 -10.085 1.00 0.00 H new ATOM 0 HB THR A 49 -4.084 -0.765 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.629 -2.358 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.269 -1.077 -13.560 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.221 0.651 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.771 -0.145 -13.792 1.00 0.00 H new ATOM 734 N ARG A 50 -0.094 -0.235 -10.560 1.00 0.00 N ATOM 735 CA ARG A 50 1.344 -0.521 -10.829 1.00 0.00 C ATOM 736 C ARG A 50 2.090 -0.664 -9.501 1.00 0.00 C ATOM 737 O ARG A 50 1.581 -0.316 -8.453 1.00 0.00 O ATOM 738 CB ARG A 50 1.952 0.630 -11.633 1.00 0.00 C ATOM 739 CG ARG A 50 2.323 0.136 -13.033 1.00 0.00 C ATOM 740 CD ARG A 50 2.170 1.280 -14.035 1.00 0.00 C ATOM 741 NE ARG A 50 3.018 2.430 -13.610 1.00 0.00 N ATOM 742 CZ ARG A 50 4.314 2.297 -13.548 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.892 1.268 -14.105 1.00 0.00 N ATOM 744 NH2 ARG A 50 5.033 3.193 -12.928 1.00 0.00 N ATOM 0 H ARG A 50 -0.400 -0.416 -9.604 1.00 0.00 H new ATOM 0 HA ARG A 50 1.431 -1.447 -11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.241 1.454 -11.703 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.837 1.015 -11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.349 -0.233 -13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.682 -0.699 -13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.463 0.947 -15.031 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.126 1.587 -14.096 1.00 0.00 H new ATOM 0 HE ARG A 50 2.585 3.321 -13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.330 0.568 -14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.906 1.164 -14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.581 3.997 -12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.047 3.089 -12.879 1.00 0.00 H new ATOM 758 N ALA A 51 3.292 -1.172 -9.532 1.00 0.00 N ATOM 759 CA ALA A 51 4.061 -1.331 -8.267 1.00 0.00 C ATOM 760 C ALA A 51 4.138 0.024 -7.552 1.00 0.00 C ATOM 761 O ALA A 51 4.281 1.048 -8.190 1.00 0.00 O ATOM 762 CB ALA A 51 5.471 -1.830 -8.584 1.00 0.00 C ATOM 0 H ALA A 51 3.773 -1.483 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 51 3.563 -2.055 -7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.033 -1.946 -7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.411 -2.791 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.976 -1.109 -9.227 1.00 0.00 H new ATOM 768 N PRO A 52 4.019 -0.006 -6.247 1.00 0.00 N ATOM 769 CA PRO A 52 4.050 1.206 -5.442 1.00 0.00 C ATOM 770 C PRO A 52 5.485 1.709 -5.234 1.00 0.00 C ATOM 771 O PRO A 52 6.431 0.946 -5.216 1.00 0.00 O ATOM 772 CB PRO A 52 3.453 0.781 -4.107 1.00 0.00 C ATOM 773 CG PRO A 52 3.784 -0.743 -4.023 1.00 0.00 C ATOM 774 CD PRO A 52 3.839 -1.257 -5.492 1.00 0.00 C ATOM 0 HA PRO A 52 3.507 2.022 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.894 1.333 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.378 0.960 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.735 -0.907 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.023 -1.276 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.664 -1.952 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.925 -1.778 -5.777 1.00 0.00 H new ATOM 782 N LEU A 53 5.639 2.995 -5.052 1.00 0.00 N ATOM 783 CA LEU A 53 6.993 3.567 -4.809 1.00 0.00 C ATOM 784 C LEU A 53 7.654 2.795 -3.666 1.00 0.00 C ATOM 785 O LEU A 53 7.052 2.564 -2.638 1.00 0.00 O ATOM 786 CB LEU A 53 6.850 5.034 -4.410 1.00 0.00 C ATOM 787 CG LEU A 53 7.896 5.864 -5.150 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.267 5.209 -5.015 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.528 5.962 -6.630 1.00 0.00 C ATOM 0 H LEU A 53 4.879 3.676 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 53 7.601 3.490 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.849 5.392 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.978 5.144 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 53 7.926 6.863 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.009 5.806 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.538 5.146 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.235 4.207 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.278 6.555 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.490 4.962 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.553 6.438 -6.732 1.00 0.00 H new ATOM 801 N VAL A 54 8.883 2.392 -3.830 1.00 0.00 N ATOM 802 CA VAL A 54 9.567 1.638 -2.746 1.00 0.00 C ATOM 803 C VAL A 54 9.478 2.435 -1.443 1.00 0.00 C ATOM 804 O VAL A 54 9.305 1.881 -0.373 1.00 0.00 O ATOM 805 CB VAL A 54 11.034 1.432 -3.125 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.689 0.468 -2.137 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.119 0.848 -4.536 1.00 0.00 C ATOM 0 H VAL A 54 9.442 2.553 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 54 9.088 0.668 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 54 11.553 2.390 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.734 0.323 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.630 0.883 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.170 -0.490 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.165 0.701 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.599 -0.109 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.655 1.535 -5.243 1.00 0.00 H new ATOM 817 N GLU A 55 9.590 3.733 -1.522 1.00 0.00 N ATOM 818 CA GLU A 55 9.508 4.565 -0.289 1.00 0.00 C ATOM 819 C GLU A 55 8.089 4.495 0.277 1.00 0.00 C ATOM 820 O GLU A 55 7.891 4.480 1.474 1.00 0.00 O ATOM 821 CB GLU A 55 9.855 6.017 -0.624 1.00 0.00 C ATOM 822 CG GLU A 55 8.968 6.504 -1.771 1.00 0.00 C ATOM 823 CD GLU A 55 9.031 8.031 -1.853 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.936 8.598 -1.265 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.174 8.605 -2.503 1.00 0.00 O ATOM 0 H GLU A 55 9.735 4.253 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 55 10.214 4.188 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.711 6.648 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.905 6.095 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.299 6.065 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.939 6.180 -1.612 1.00 0.00 H new ATOM 832 N GLU A 56 7.100 4.444 -0.572 1.00 0.00 N ATOM 833 CA GLU A 56 5.700 4.364 -0.073 1.00 0.00 C ATOM 834 C GLU A 56 5.506 3.023 0.634 1.00 0.00 C ATOM 835 O GLU A 56 4.789 2.918 1.610 1.00 0.00 O ATOM 836 CB GLU A 56 4.728 4.468 -1.251 1.00 0.00 C ATOM 837 CG GLU A 56 4.046 5.838 -1.231 1.00 0.00 C ATOM 838 CD GLU A 56 3.249 6.030 -2.523 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.288 5.142 -3.358 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.613 7.063 -2.654 1.00 0.00 O ATOM 0 H GLU A 56 7.201 4.454 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 56 5.507 5.181 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.263 4.330 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.981 3.677 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.384 5.914 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.792 6.626 -1.131 1.00 0.00 H new ATOM 847 N LEU A 57 6.149 1.997 0.148 1.00 0.00 N ATOM 848 CA LEU A 57 6.019 0.659 0.785 1.00 0.00 C ATOM 849 C LEU A 57 6.592 0.720 2.201 1.00 0.00 C ATOM 850 O LEU A 57 6.051 0.149 3.127 1.00 0.00 O ATOM 851 CB LEU A 57 6.795 -0.373 -0.038 1.00 0.00 C ATOM 852 CG LEU A 57 6.039 -1.704 -0.046 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.580 -2.044 1.372 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.819 -1.592 -0.962 1.00 0.00 C ATOM 0 H LEU A 57 6.761 2.030 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 57 4.969 0.371 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.927 -0.013 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.791 -0.512 0.382 1.00 0.00 H new ATOM 0 HG LEU A 57 6.699 -2.491 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.042 -2.992 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.448 -2.126 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.922 -1.257 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.280 -2.540 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.161 -0.803 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.145 -1.353 -1.974 1.00 0.00 H new ATOM 866 N TYR A 58 7.688 1.409 2.379 1.00 0.00 N ATOM 867 CA TYR A 58 8.293 1.507 3.738 1.00 0.00 C ATOM 868 C TYR A 58 7.457 2.454 4.602 1.00 0.00 C ATOM 869 O TYR A 58 7.389 2.312 5.807 1.00 0.00 O ATOM 870 CB TYR A 58 9.720 2.047 3.622 1.00 0.00 C ATOM 871 CG TYR A 58 10.458 1.803 4.917 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.221 2.627 6.023 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.379 0.753 5.010 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.905 2.401 7.224 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.063 0.526 6.211 1.00 0.00 C ATOM 876 CZ TYR A 58 11.825 1.350 7.317 1.00 0.00 C ATOM 877 OH TYR A 58 12.500 1.128 8.501 1.00 0.00 O ATOM 0 H TYR A 58 8.189 1.907 1.643 1.00 0.00 H new ATOM 0 HA TYR A 58 8.314 0.519 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.239 1.558 2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.699 3.114 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.511 3.437 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.562 0.118 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.723 3.037 8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.773 -0.284 6.284 1.00 0.00 H new ATOM 0 HH TYR A 58 13.100 0.360 8.397 1.00 0.00 H new ATOM 887 N ARG A 59 6.820 3.417 3.996 1.00 0.00 N ATOM 888 CA ARG A 59 5.989 4.372 4.780 1.00 0.00 C ATOM 889 C ARG A 59 4.766 3.642 5.337 1.00 0.00 C ATOM 890 O ARG A 59 4.225 4.008 6.362 1.00 0.00 O ATOM 891 CB ARG A 59 5.530 5.516 3.872 1.00 0.00 C ATOM 892 CG ARG A 59 5.121 6.716 4.727 1.00 0.00 C ATOM 893 CD ARG A 59 3.799 7.283 4.210 1.00 0.00 C ATOM 894 NE ARG A 59 3.111 8.022 5.306 1.00 0.00 N ATOM 895 CZ ARG A 59 1.930 8.539 5.105 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.443 8.609 3.895 1.00 0.00 N ATOM 897 NH2 ARG A 59 1.235 8.988 6.114 1.00 0.00 N ATOM 0 H ARG A 59 6.839 3.584 2.990 1.00 0.00 H new ATOM 0 HA ARG A 59 6.579 4.777 5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.333 5.798 3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.690 5.192 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.017 6.415 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.896 7.482 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.982 7.949 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.163 6.476 3.846 1.00 0.00 H new ATOM 0 HE ARG A 59 3.564 8.124 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.986 8.259 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.520 9.013 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.615 8.935 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.312 9.392 5.958 1.00 0.00 H new ATOM 911 N PHE A 60 4.327 2.611 4.670 1.00 0.00 N ATOM 912 CA PHE A 60 3.143 1.855 5.161 1.00 0.00 C ATOM 913 C PHE A 60 3.609 0.549 5.803 1.00 0.00 C ATOM 914 O PHE A 60 2.902 -0.440 5.810 1.00 0.00 O ATOM 915 CB PHE A 60 2.209 1.548 3.988 1.00 0.00 C ATOM 916 CG PHE A 60 1.432 2.792 3.627 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.039 3.798 2.866 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.106 2.939 4.052 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.320 4.952 2.531 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.612 4.093 3.718 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.004 5.099 2.957 1.00 0.00 C ATOM 0 H PHE A 60 4.738 2.260 3.805 1.00 0.00 H new ATOM 0 HA PHE A 60 2.608 2.452 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.786 1.204 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.524 0.743 4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.061 3.684 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.363 2.162 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.788 5.728 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.634 4.208 4.047 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.558 5.989 2.699 1.00 0.00 H new ATOM 931 N ARG A 61 4.798 0.536 6.340 1.00 0.00 N ATOM 932 CA ARG A 61 5.314 -0.706 6.982 1.00 0.00 C ATOM 933 C ARG A 61 4.378 -1.118 8.121 1.00 0.00 C ATOM 934 O ARG A 61 4.140 -2.287 8.349 1.00 0.00 O ATOM 935 CB ARG A 61 6.715 -0.448 7.540 1.00 0.00 C ATOM 936 CG ARG A 61 7.720 -1.365 6.843 1.00 0.00 C ATOM 937 CD ARG A 61 7.539 -2.799 7.348 1.00 0.00 C ATOM 938 NE ARG A 61 8.179 -2.938 8.686 1.00 0.00 N ATOM 939 CZ ARG A 61 7.960 -4.005 9.405 1.00 0.00 C ATOM 940 NH1 ARG A 61 6.771 -4.233 9.892 1.00 0.00 N ATOM 941 NH2 ARG A 61 8.932 -4.845 9.638 1.00 0.00 N ATOM 0 H ARG A 61 5.435 1.332 6.362 1.00 0.00 H new ATOM 0 HA ARG A 61 5.360 -1.505 6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.992 0.595 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.728 -0.627 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.575 -1.327 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.737 -1.024 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.478 -3.042 7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.985 -3.503 6.645 1.00 0.00 H new ATOM 0 HE ARG A 61 8.788 -2.200 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.011 -3.577 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.601 -5.067 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.862 -4.667 9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.762 -5.679 10.200 1.00 0.00 H new ATOM 955 N ASP A 62 3.844 -0.166 8.839 1.00 0.00 N ATOM 956 CA ASP A 62 2.922 -0.507 9.960 1.00 0.00 C ATOM 957 C ASP A 62 1.710 -1.258 9.405 1.00 0.00 C ATOM 958 O ASP A 62 1.095 -2.054 10.086 1.00 0.00 O ATOM 959 CB ASP A 62 2.457 0.778 10.648 1.00 0.00 C ATOM 960 CG ASP A 62 2.153 1.842 9.592 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.179 1.677 8.876 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.899 2.803 9.517 1.00 0.00 O ATOM 0 H ASP A 62 4.006 0.831 8.698 1.00 0.00 H new ATOM 0 HA ASP A 62 3.442 -1.135 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.568 0.581 11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.228 1.137 11.330 1.00 0.00 H new ATOM 967 N ARG A 63 1.369 -1.013 8.170 1.00 0.00 N ATOM 968 CA ARG A 63 0.203 -1.713 7.561 1.00 0.00 C ATOM 969 C ARG A 63 0.708 -2.660 6.473 1.00 0.00 C ATOM 970 O ARG A 63 0.060 -2.872 5.468 1.00 0.00 O ATOM 971 CB ARG A 63 -0.746 -0.684 6.945 1.00 0.00 C ATOM 972 CG ARG A 63 -2.172 -1.238 6.946 1.00 0.00 C ATOM 973 CD ARG A 63 -2.961 -0.621 5.792 1.00 0.00 C ATOM 974 NE ARG A 63 -4.257 -0.090 6.303 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.319 1.116 6.797 1.00 0.00 C ATOM 976 NH1 ARG A 63 -3.232 1.708 7.211 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.467 1.731 6.876 1.00 0.00 N ATOM 0 H ARG A 63 1.849 -0.356 7.555 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.330 -2.279 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.706 0.247 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.436 -0.452 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.152 -2.323 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.660 -1.014 7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.384 0.181 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.141 -1.369 5.020 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.095 -0.670 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.334 1.228 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.280 2.651 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.316 1.269 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.515 2.674 7.262 1.00 0.00 H new ATOM 991 N LEU A 64 1.869 -3.221 6.666 1.00 0.00 N ATOM 992 CA LEU A 64 2.434 -4.147 5.647 1.00 0.00 C ATOM 993 C LEU A 64 2.232 -5.600 6.100 1.00 0.00 C ATOM 994 O LEU A 64 2.777 -6.007 7.105 1.00 0.00 O ATOM 995 CB LEU A 64 3.935 -3.876 5.506 1.00 0.00 C ATOM 996 CG LEU A 64 4.259 -3.482 4.064 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.773 -3.523 3.857 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.591 -4.466 3.101 1.00 0.00 C ATOM 0 H LEU A 64 2.453 -3.077 7.490 1.00 0.00 H new ATOM 0 HA LEU A 64 1.930 -3.989 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.235 -3.079 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.502 -4.764 5.786 1.00 0.00 H new ATOM 0 HG LEU A 64 3.888 -2.476 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.008 -3.243 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.253 -2.825 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.140 -4.531 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.823 -4.184 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.962 -5.472 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.511 -4.443 3.249 1.00 0.00 H new ATOM 1010 N PRO A 65 1.467 -6.350 5.338 1.00 0.00 N ATOM 1011 CA PRO A 65 1.213 -7.752 5.647 1.00 0.00 C ATOM 1012 C PRO A 65 2.428 -8.619 5.276 1.00 0.00 C ATOM 1013 O PRO A 65 2.337 -9.829 5.223 1.00 0.00 O ATOM 1014 CB PRO A 65 0.017 -8.118 4.778 1.00 0.00 C ATOM 1015 CG PRO A 65 0.127 -7.135 3.571 1.00 0.00 C ATOM 1016 CD PRO A 65 0.796 -5.844 4.130 1.00 0.00 C ATOM 0 HA PRO A 65 1.027 -7.915 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.060 -9.158 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.923 -7.990 5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.724 -7.568 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.856 -6.916 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.502 -5.410 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.063 -5.072 4.363 1.00 0.00 H new ATOM 1024 N GLU A 66 3.559 -8.004 5.011 1.00 0.00 N ATOM 1025 CA GLU A 66 4.791 -8.760 4.644 1.00 0.00 C ATOM 1026 C GLU A 66 4.655 -9.399 3.252 1.00 0.00 C ATOM 1027 O GLU A 66 5.613 -9.902 2.705 1.00 0.00 O ATOM 1028 CB GLU A 66 5.062 -9.828 5.704 1.00 0.00 C ATOM 1029 CG GLU A 66 6.039 -10.874 5.160 1.00 0.00 C ATOM 1030 CD GLU A 66 5.257 -12.004 4.486 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.509 -12.675 5.177 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.419 -12.177 3.289 1.00 0.00 O ATOM 0 H GLU A 66 3.677 -6.991 5.036 1.00 0.00 H new ATOM 0 HA GLU A 66 5.632 -8.068 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.475 -9.365 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.128 -10.308 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.721 -10.413 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.649 -11.273 5.970 1.00 0.00 H new ATOM 1039 N LYS A 67 3.495 -9.367 2.652 1.00 0.00 N ATOM 1040 CA LYS A 67 3.349 -9.968 1.295 1.00 0.00 C ATOM 1041 C LYS A 67 4.231 -9.215 0.293 1.00 0.00 C ATOM 1042 O LYS A 67 4.342 -9.596 -0.855 1.00 0.00 O ATOM 1043 CB LYS A 67 1.887 -9.880 0.854 1.00 0.00 C ATOM 1044 CG LYS A 67 1.555 -11.064 -0.056 1.00 0.00 C ATOM 1045 CD LYS A 67 0.642 -12.040 0.689 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.418 -12.582 -0.271 1.00 0.00 C ATOM 1047 NZ LYS A 67 -1.342 -11.480 -0.663 1.00 0.00 N ATOM 0 H LYS A 67 2.647 -8.953 3.040 1.00 0.00 H new ATOM 0 HA LYS A 67 3.659 -11.012 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.233 -9.883 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.711 -8.942 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.065 -10.712 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.471 -11.569 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.229 -12.861 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.164 -11.537 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.059 -13.004 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.977 -13.388 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.293 -11.867 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.382 -10.773 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.996 -11.030 -1.535 1.00 0.00 H new ATOM 1061 N LEU A 68 4.858 -8.148 0.714 1.00 0.00 N ATOM 1062 CA LEU A 68 5.728 -7.374 -0.218 1.00 0.00 C ATOM 1063 C LEU A 68 6.835 -6.680 0.578 1.00 0.00 C ATOM 1064 O LEU A 68 7.452 -5.743 0.112 1.00 0.00 O ATOM 1065 CB LEU A 68 4.900 -6.312 -0.953 1.00 0.00 C ATOM 1066 CG LEU A 68 3.436 -6.748 -1.046 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.756 -6.556 0.311 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.720 -5.896 -2.095 1.00 0.00 C ATOM 0 H LEU A 68 4.805 -7.779 1.664 1.00 0.00 H new ATOM 0 HA LEU A 68 6.164 -8.059 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.970 -5.359 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.304 -6.155 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 68 3.388 -7.799 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.714 -6.867 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.266 -7.159 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.803 -5.505 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.677 -6.204 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.770 -4.846 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.202 -6.030 -3.063 1.00 0.00 H new ATOM 1080 N ARG A 69 7.091 -7.125 1.778 1.00 0.00 N ATOM 1081 CA ARG A 69 8.158 -6.480 2.596 1.00 0.00 C ATOM 1082 C ARG A 69 9.453 -6.420 1.782 1.00 0.00 C ATOM 1083 O ARG A 69 10.008 -5.362 1.558 1.00 0.00 O ATOM 1084 CB ARG A 69 8.391 -7.297 3.869 1.00 0.00 C ATOM 1085 CG ARG A 69 9.631 -6.770 4.594 1.00 0.00 C ATOM 1086 CD ARG A 69 9.452 -5.281 4.893 1.00 0.00 C ATOM 1087 NE ARG A 69 9.989 -4.979 6.251 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.819 -3.986 6.419 1.00 0.00 C ATOM 1089 NH1 ARG A 69 10.547 -2.816 5.909 1.00 0.00 N ATOM 1090 NH2 ARG A 69 11.919 -4.163 7.097 1.00 0.00 N ATOM 0 H ARG A 69 6.610 -7.904 2.226 1.00 0.00 H new ATOM 0 HA ARG A 69 7.850 -5.470 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.520 -7.231 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.523 -8.350 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.785 -7.322 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.518 -6.924 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.971 -4.684 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.397 -5.013 4.839 1.00 0.00 H new ATOM 0 HE ARG A 69 9.708 -5.549 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.686 -2.678 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.195 -2.039 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.131 -5.078 7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.568 -3.387 7.228 1.00 0.00 H new ATOM 1104 N TYR A 70 9.933 -7.548 1.337 1.00 0.00 N ATOM 1105 CA TYR A 70 11.188 -7.566 0.531 1.00 0.00 C ATOM 1106 C TYR A 70 11.164 -6.415 -0.476 1.00 0.00 C ATOM 1107 O TYR A 70 12.185 -5.833 -0.800 1.00 0.00 O ATOM 1108 CB TYR A 70 11.276 -8.894 -0.222 1.00 0.00 C ATOM 1109 CG TYR A 70 9.912 -9.241 -0.770 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.504 -8.727 -2.007 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.052 -10.069 -0.038 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.238 -9.043 -2.511 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.786 -10.384 -0.543 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.378 -9.869 -1.781 1.00 0.00 C ATOM 1115 OH TYR A 70 6.129 -10.180 -2.278 1.00 0.00 O ATOM 0 H TYR A 70 9.509 -8.462 1.497 1.00 0.00 H new ATOM 0 HA TYR A 70 12.050 -7.454 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.000 -8.819 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.625 -9.682 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.166 -8.087 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.366 -10.464 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.924 -8.648 -3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.123 -11.024 0.021 1.00 0.00 H new ATOM 0 HH TYR A 70 5.474 -10.167 -1.549 1.00 0.00 H new ATOM 1125 N LEU A 71 10.005 -6.086 -0.977 1.00 0.00 N ATOM 1126 CA LEU A 71 9.905 -4.975 -1.965 1.00 0.00 C ATOM 1127 C LEU A 71 10.142 -3.645 -1.249 1.00 0.00 C ATOM 1128 O LEU A 71 10.891 -2.806 -1.710 1.00 0.00 O ATOM 1129 CB LEU A 71 8.508 -4.981 -2.592 1.00 0.00 C ATOM 1130 CG LEU A 71 8.548 -5.699 -3.940 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.212 -6.403 -4.181 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.787 -4.674 -5.048 1.00 0.00 C ATOM 0 H LEU A 71 9.122 -6.540 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 71 10.653 -5.105 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.803 -5.478 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.155 -3.958 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 71 9.352 -6.435 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.239 -6.916 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.035 -7.129 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.408 -5.667 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.817 -5.181 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.979 -3.942 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.736 -4.167 -4.876 1.00 0.00 H new ATOM 1144 N ALA A 72 9.516 -3.450 -0.122 1.00 0.00 N ATOM 1145 CA ALA A 72 9.710 -2.178 0.628 1.00 0.00 C ATOM 1146 C ALA A 72 11.146 -2.116 1.156 1.00 0.00 C ATOM 1147 O ALA A 72 11.589 -1.104 1.662 1.00 0.00 O ATOM 1148 CB ALA A 72 8.733 -2.125 1.804 1.00 0.00 C ATOM 0 H ALA A 72 8.878 -4.117 0.312 1.00 0.00 H new ATOM 0 HA ALA A 72 9.527 -1.332 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.875 -1.194 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.710 -2.173 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.917 -2.970 2.468 1.00 0.00 H new ATOM 1154 N ASP A 73 11.876 -3.193 1.043 1.00 0.00 N ATOM 1155 CA ASP A 73 13.281 -3.197 1.537 1.00 0.00 C ATOM 1156 C ASP A 73 14.204 -2.645 0.451 1.00 0.00 C ATOM 1157 O ASP A 73 15.229 -2.056 0.732 1.00 0.00 O ATOM 1158 CB ASP A 73 13.697 -4.631 1.876 1.00 0.00 C ATOM 1159 CG ASP A 73 13.678 -4.823 3.393 1.00 0.00 C ATOM 1160 OD1 ASP A 73 14.297 -4.027 4.080 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.045 -5.764 3.842 1.00 0.00 O ATOM 0 H ASP A 73 11.559 -4.070 0.630 1.00 0.00 H new ATOM 0 HA ASP A 73 13.355 -2.575 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.019 -5.340 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.694 -4.833 1.486 1.00 0.00 H new ATOM 1166 N ALA A 74 13.849 -2.832 -0.791 1.00 0.00 N ATOM 1167 CA ALA A 74 14.706 -2.320 -1.896 1.00 0.00 C ATOM 1168 C ALA A 74 14.900 -0.808 -1.737 1.00 0.00 C ATOM 1169 O ALA A 74 14.176 -0.167 -1.001 1.00 0.00 O ATOM 1170 CB ALA A 74 14.032 -2.610 -3.238 1.00 0.00 C ATOM 0 H ALA A 74 13.002 -3.317 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 74 15.677 -2.814 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.658 -2.236 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.896 -3.685 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.061 -2.116 -3.272 1.00 0.00 H new ATOM 1176 N PRO A 75 15.873 -0.286 -2.439 1.00 0.00 N ATOM 1177 CA PRO A 75 16.178 1.137 -2.396 1.00 0.00 C ATOM 1178 C PRO A 75 14.896 1.959 -2.555 1.00 0.00 C ATOM 1179 O PRO A 75 13.887 1.466 -3.020 1.00 0.00 O ATOM 1180 CB PRO A 75 17.117 1.359 -3.576 1.00 0.00 C ATOM 1181 CG PRO A 75 17.788 -0.037 -3.778 1.00 0.00 C ATOM 1182 CD PRO A 75 16.733 -1.088 -3.323 1.00 0.00 C ATOM 0 HA PRO A 75 16.626 1.444 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.574 1.676 -4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.855 2.132 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.066 -0.189 -4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.701 -0.120 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.180 -1.503 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.191 -1.926 -2.798 1.00 0.00 H new ATOM 1190 N GLN A 76 14.923 3.207 -2.169 1.00 0.00 N ATOM 1191 CA GLN A 76 13.698 4.049 -2.295 1.00 0.00 C ATOM 1192 C GLN A 76 14.048 5.387 -2.950 1.00 0.00 C ATOM 1193 O GLN A 76 13.288 6.332 -2.894 1.00 0.00 O ATOM 1194 CB GLN A 76 13.110 4.302 -0.905 1.00 0.00 C ATOM 1195 CG GLN A 76 14.240 4.392 0.123 1.00 0.00 C ATOM 1196 CD GLN A 76 13.647 4.571 1.521 1.00 0.00 C ATOM 1197 OE1 GLN A 76 14.014 5.481 2.237 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.738 3.734 1.943 1.00 0.00 N ATOM 0 H GLN A 76 15.737 3.678 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 76 12.968 3.528 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.532 5.226 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.425 3.498 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.850 3.489 0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.896 5.229 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.430 2.970 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.336 3.844 2.874 1.00 0.00 H new ATOM 1207 N GLN A 77 15.188 5.477 -3.579 1.00 0.00 N ATOM 1208 CA GLN A 77 15.568 6.758 -4.240 1.00 0.00 C ATOM 1209 C GLN A 77 17.050 6.726 -4.634 1.00 0.00 C ATOM 1210 O GLN A 77 17.716 7.742 -4.637 1.00 0.00 O ATOM 1211 CB GLN A 77 15.342 7.922 -3.269 1.00 0.00 C ATOM 1212 CG GLN A 77 15.596 7.451 -1.834 1.00 0.00 C ATOM 1213 CD GLN A 77 16.310 8.554 -1.054 1.00 0.00 C ATOM 1214 OE1 GLN A 77 15.893 9.695 -1.071 1.00 0.00 O ATOM 1215 NE2 GLN A 77 17.379 8.262 -0.365 1.00 0.00 N ATOM 0 H GLN A 77 15.870 4.723 -3.664 1.00 0.00 H new ATOM 0 HA GLN A 77 14.955 6.889 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.009 8.748 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.323 8.296 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.652 7.201 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.201 6.545 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.730 7.304 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.863 8.991 0.158 1.00 0.00 H new ATOM 1224 N ASP A 78 17.577 5.576 -4.961 1.00 0.00 N ATOM 1225 CA ASP A 78 19.017 5.500 -5.343 1.00 0.00 C ATOM 1226 C ASP A 78 19.870 6.132 -4.235 1.00 0.00 C ATOM 1227 O ASP A 78 19.345 6.739 -3.323 1.00 0.00 O ATOM 1228 CB ASP A 78 19.241 6.253 -6.658 1.00 0.00 C ATOM 1229 CG ASP A 78 19.601 5.256 -7.752 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.312 4.086 -7.570 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.157 5.678 -8.752 1.00 0.00 O ATOM 0 H ASP A 78 17.074 4.689 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 78 19.305 4.457 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.342 6.804 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.040 6.985 -6.540 1.00 0.00 H new ATOM 1236 N PRO A 79 21.165 5.968 -4.345 1.00 0.00 N ATOM 1237 CA PRO A 79 22.093 6.513 -3.365 1.00 0.00 C ATOM 1238 C PRO A 79 22.177 8.036 -3.507 1.00 0.00 C ATOM 1239 O PRO A 79 22.789 8.712 -2.703 1.00 0.00 O ATOM 1240 CB PRO A 79 23.431 5.863 -3.701 1.00 0.00 C ATOM 1241 CG PRO A 79 23.296 5.512 -5.216 1.00 0.00 C ATOM 1242 CD PRO A 79 21.786 5.227 -5.454 1.00 0.00 C ATOM 0 HA PRO A 79 21.786 6.312 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.264 6.542 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 79 23.608 4.973 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.641 6.336 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.903 4.643 -5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.450 5.587 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.559 4.162 -5.413 1.00 0.00 H new ATOM 1250 N GLU A 80 21.564 8.579 -4.523 1.00 0.00 N ATOM 1251 CA GLU A 80 21.603 10.056 -4.716 1.00 0.00 C ATOM 1252 C GLU A 80 20.298 10.670 -4.206 1.00 0.00 C ATOM 1253 O GLU A 80 20.300 11.651 -3.491 1.00 0.00 O ATOM 1254 CB GLU A 80 21.769 10.371 -6.204 1.00 0.00 C ATOM 1255 CG GLU A 80 22.151 11.843 -6.376 1.00 0.00 C ATOM 1256 CD GLU A 80 20.925 12.722 -6.120 1.00 0.00 C ATOM 1257 OE1 GLU A 80 19.919 12.507 -6.776 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.014 13.595 -5.272 1.00 0.00 O ATOM 0 H GLU A 80 21.038 8.063 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 80 22.443 10.474 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.538 9.732 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.842 10.161 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.951 12.105 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.532 12.016 -7.383 1.00 0.00 H new ATOM 1265 N GLY A 81 19.183 10.097 -4.568 1.00 0.00 N ATOM 1266 CA GLY A 81 17.877 10.644 -4.102 1.00 0.00 C ATOM 1267 C GLY A 81 16.800 10.361 -5.149 1.00 0.00 C ATOM 1268 O GLY A 81 15.626 10.298 -4.841 1.00 0.00 O ATOM 0 H GLY A 81 19.120 9.273 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.601 10.191 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.961 11.717 -3.932 1.00 0.00 H new ATOM 1272 N ASN A 82 17.186 10.191 -6.385 1.00 0.00 N ATOM 1273 CA ASN A 82 16.166 9.909 -7.442 1.00 0.00 C ATOM 1274 C ASN A 82 15.199 8.852 -6.916 1.00 0.00 C ATOM 1275 O ASN A 82 15.493 7.675 -6.949 1.00 0.00 O ATOM 1276 CB ASN A 82 16.819 9.371 -8.726 1.00 0.00 C ATOM 1277 CG ASN A 82 18.308 9.714 -8.773 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.694 10.844 -8.547 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.167 8.774 -9.063 1.00 0.00 N ATOM 0 H ASN A 82 18.152 10.234 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 82 15.650 10.840 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.690 8.290 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.318 9.794 -9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.164 8.988 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.841 7.826 -9.252 1.00 0.00 H new ATOM 1286 N LYS A 83 14.055 9.263 -6.426 1.00 0.00 N ATOM 1287 CA LYS A 83 13.065 8.283 -5.886 1.00 0.00 C ATOM 1288 C LYS A 83 13.086 7.006 -6.709 1.00 0.00 C ATOM 1289 O LYS A 83 13.294 7.025 -7.907 1.00 0.00 O ATOM 1290 CB LYS A 83 11.673 8.888 -5.926 1.00 0.00 C ATOM 1291 CG LYS A 83 11.527 9.845 -4.748 1.00 0.00 C ATOM 1292 CD LYS A 83 10.105 9.766 -4.202 1.00 0.00 C ATOM 1293 CE LYS A 83 9.347 11.048 -4.551 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.516 10.818 -5.766 1.00 0.00 N ATOM 0 H LYS A 83 13.764 10.239 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 83 13.331 8.046 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.517 9.418 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.918 8.104 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.243 9.589 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.751 10.864 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.591 8.902 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.127 9.628 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.714 11.348 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.050 11.862 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.000 11.689 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.131 10.551 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.836 10.053 -5.582 1.00 0.00 H new ATOM 1308 N THR A 84 12.881 5.896 -6.071 1.00 0.00 N ATOM 1309 CA THR A 84 12.898 4.606 -6.802 1.00 0.00 C ATOM 1310 C THR A 84 11.581 3.877 -6.573 1.00 0.00 C ATOM 1311 O THR A 84 11.214 3.574 -5.456 1.00 0.00 O ATOM 1312 CB THR A 84 14.054 3.751 -6.286 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.093 4.598 -5.819 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.580 2.881 -7.417 1.00 0.00 C ATOM 0 H THR A 84 12.701 5.825 -5.069 1.00 0.00 H new ATOM 0 HA THR A 84 13.028 4.789 -7.869 1.00 0.00 H new ATOM 0 HB THR A 84 13.706 3.118 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.711 4.794 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.405 2.269 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.781 2.234 -7.780 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.931 3.515 -8.231 1.00 0.00 H new ATOM 1322 N MET A 85 10.866 3.593 -7.622 1.00 0.00 N ATOM 1323 CA MET A 85 9.570 2.887 -7.454 1.00 0.00 C ATOM 1324 C MET A 85 9.738 1.420 -7.854 1.00 0.00 C ATOM 1325 O MET A 85 10.662 1.057 -8.552 1.00 0.00 O ATOM 1326 CB MET A 85 8.484 3.588 -8.303 1.00 0.00 C ATOM 1327 CG MET A 85 8.140 2.776 -9.557 1.00 0.00 C ATOM 1328 SD MET A 85 6.610 3.404 -10.285 1.00 0.00 S ATOM 1329 CE MET A 85 5.725 1.828 -10.272 1.00 0.00 C ATOM 0 H MET A 85 11.121 3.818 -8.584 1.00 0.00 H new ATOM 0 HA MET A 85 9.254 2.921 -6.411 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.586 3.729 -7.702 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.832 4.579 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.953 2.843 -10.280 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.027 1.723 -9.301 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.651 2.013 -10.305 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.018 1.239 -11.141 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.971 1.280 -9.363 1.00 0.00 H new ATOM 1339 N VAL A 86 8.849 0.575 -7.415 1.00 0.00 N ATOM 1340 CA VAL A 86 8.957 -0.864 -7.769 1.00 0.00 C ATOM 1341 C VAL A 86 8.342 -1.097 -9.151 1.00 0.00 C ATOM 1342 O VAL A 86 7.393 -0.447 -9.539 1.00 0.00 O ATOM 1343 CB VAL A 86 8.217 -1.701 -6.722 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.998 -3.123 -7.249 1.00 0.00 C ATOM 1345 CG2 VAL A 86 9.052 -1.757 -5.441 1.00 0.00 C ATOM 0 H VAL A 86 8.053 0.820 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 86 10.006 -1.159 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 86 7.249 -1.245 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.471 -3.712 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.405 -3.085 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.962 -3.585 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.530 -2.352 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.019 -2.212 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.203 -0.747 -5.061 1.00 0.00 H new ATOM 1355 N ARG A 87 8.879 -2.026 -9.890 1.00 0.00 N ATOM 1356 CA ARG A 87 8.334 -2.322 -11.244 1.00 0.00 C ATOM 1357 C ARG A 87 8.183 -3.837 -11.383 1.00 0.00 C ATOM 1358 O ARG A 87 8.350 -4.573 -10.430 1.00 0.00 O ATOM 1359 CB ARG A 87 9.295 -1.804 -12.315 1.00 0.00 C ATOM 1360 CG ARG A 87 9.902 -0.479 -11.857 1.00 0.00 C ATOM 1361 CD ARG A 87 8.846 0.620 -11.958 1.00 0.00 C ATOM 1362 NE ARG A 87 9.506 1.918 -12.278 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.109 2.616 -13.308 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.818 2.017 -14.430 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.003 3.913 -13.214 1.00 0.00 N ATOM 0 H ARG A 87 9.677 -2.597 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 87 7.368 -1.833 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.084 -2.535 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.766 -1.667 -13.258 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.258 -0.564 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.765 -0.228 -12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.119 0.370 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.299 0.700 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 87 10.268 2.261 -11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.900 1.003 -14.503 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.508 2.563 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.230 4.381 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.693 4.459 -14.018 1.00 0.00 H new ATOM 1379 N PHE A 88 7.877 -4.317 -12.555 1.00 0.00 N ATOM 1380 CA PHE A 88 7.730 -5.790 -12.727 1.00 0.00 C ATOM 1381 C PHE A 88 8.225 -6.207 -14.112 1.00 0.00 C ATOM 1382 O PHE A 88 7.731 -5.750 -15.124 1.00 0.00 O ATOM 1383 CB PHE A 88 6.262 -6.189 -12.577 1.00 0.00 C ATOM 1384 CG PHE A 88 6.138 -7.686 -12.733 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.705 -8.537 -11.778 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.460 -8.222 -13.835 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.593 -9.925 -11.921 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.349 -9.611 -13.979 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.915 -10.462 -13.022 1.00 0.00 C ATOM 0 H PHE A 88 7.723 -3.760 -13.395 1.00 0.00 H new ATOM 0 HA PHE A 88 8.324 -6.292 -11.963 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.886 -5.880 -11.601 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.656 -5.681 -13.327 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.230 -8.123 -10.930 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.023 -7.565 -14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.029 -10.581 -11.182 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.827 -10.026 -14.829 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.829 -11.533 -13.133 1.00 0.00 H new ATOM 1399 N SER A 89 9.188 -7.084 -14.161 1.00 0.00 N ATOM 1400 CA SER A 89 9.709 -7.548 -15.474 1.00 0.00 C ATOM 1401 C SER A 89 9.116 -8.925 -15.781 1.00 0.00 C ATOM 1402 O SER A 89 9.010 -9.771 -14.912 1.00 0.00 O ATOM 1403 CB SER A 89 11.233 -7.648 -15.415 1.00 0.00 C ATOM 1404 OG SER A 89 11.798 -6.381 -15.727 1.00 0.00 O ATOM 0 H SER A 89 9.637 -7.500 -13.345 1.00 0.00 H new ATOM 0 HA SER A 89 9.428 -6.841 -16.255 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.550 -7.966 -14.422 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.587 -8.401 -16.119 1.00 0.00 H new ATOM 0 HG SER A 89 11.477 -5.713 -15.086 1.00 0.00 H new ATOM 1410 N ARG A 90 8.727 -9.156 -17.005 1.00 0.00 N ATOM 1411 CA ARG A 90 8.138 -10.477 -17.359 1.00 0.00 C ATOM 1412 C ARG A 90 9.253 -11.431 -17.787 1.00 0.00 C ATOM 1413 O ARG A 90 9.047 -12.620 -17.924 1.00 0.00 O ATOM 1414 CB ARG A 90 7.145 -10.302 -18.510 1.00 0.00 C ATOM 1415 CG ARG A 90 6.448 -8.945 -18.383 1.00 0.00 C ATOM 1416 CD ARG A 90 5.115 -8.984 -19.129 1.00 0.00 C ATOM 1417 NE ARG A 90 5.344 -8.700 -20.574 1.00 0.00 N ATOM 1418 CZ ARG A 90 5.864 -7.560 -20.940 1.00 0.00 C ATOM 1419 NH1 ARG A 90 5.883 -6.555 -20.109 1.00 0.00 N ATOM 1420 NH2 ARG A 90 6.365 -7.427 -22.138 1.00 0.00 N ATOM 0 H ARG A 90 8.792 -8.488 -17.773 1.00 0.00 H new ATOM 0 HA ARG A 90 7.619 -10.888 -16.493 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.665 -10.367 -19.466 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.407 -11.104 -18.493 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.282 -8.707 -17.332 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.083 -8.159 -18.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.648 -9.962 -19.009 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.429 -8.249 -18.708 1.00 0.00 H new ATOM 0 HE ARG A 90 5.095 -9.396 -21.277 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.492 -6.660 -19.173 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.289 -5.664 -20.395 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.350 -8.214 -22.787 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.772 -6.537 -22.425 1.00 0.00 H new ATOM 1434 N LYS A 91 10.434 -10.920 -17.994 1.00 0.00 N ATOM 1435 CA LYS A 91 11.562 -11.800 -18.405 1.00 0.00 C ATOM 1436 C LYS A 91 11.875 -12.778 -17.272 1.00 0.00 C ATOM 1437 O LYS A 91 12.435 -13.834 -17.486 1.00 0.00 O ATOM 1438 CB LYS A 91 12.796 -10.946 -18.700 1.00 0.00 C ATOM 1439 CG LYS A 91 12.774 -10.504 -20.164 1.00 0.00 C ATOM 1440 CD LYS A 91 11.478 -9.742 -20.449 1.00 0.00 C ATOM 1441 CE LYS A 91 11.425 -8.481 -19.583 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.478 -7.276 -20.458 1.00 0.00 N ATOM 0 H LYS A 91 10.667 -9.932 -17.896 1.00 0.00 H new ATOM 0 HA LYS A 91 11.286 -12.355 -19.302 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.812 -10.074 -18.046 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.703 -11.515 -18.495 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.635 -9.870 -20.376 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.849 -11.373 -20.818 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.426 -9.474 -21.504 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.617 -10.377 -20.239 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.511 -8.473 -18.989 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.260 -8.472 -18.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.442 -6.419 -19.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.362 -7.283 -21.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.667 -7.284 -21.109 1.00 0.00 H new ATOM 1456 N THR A 92 11.517 -12.431 -16.064 1.00 0.00 N ATOM 1457 CA THR A 92 11.796 -13.341 -14.918 1.00 0.00 C ATOM 1458 C THR A 92 10.644 -13.269 -13.912 1.00 0.00 C ATOM 1459 O THR A 92 10.734 -13.782 -12.815 1.00 0.00 O ATOM 1460 CB THR A 92 13.095 -12.913 -14.231 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.190 -11.496 -14.244 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.289 -13.513 -14.973 1.00 0.00 C ATOM 0 H THR A 92 11.045 -11.559 -15.823 1.00 0.00 H new ATOM 0 HA THR A 92 11.895 -14.363 -15.285 1.00 0.00 H new ATOM 0 HB THR A 92 13.096 -13.269 -13.201 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.418 -11.175 -13.347 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.213 -13.207 -14.483 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.215 -14.600 -14.962 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.291 -13.160 -16.004 1.00 0.00 H new ATOM 1470 N LYS A 93 9.562 -12.633 -14.273 1.00 0.00 N ATOM 1471 CA LYS A 93 8.412 -12.530 -13.331 1.00 0.00 C ATOM 1472 C LYS A 93 8.921 -12.066 -11.965 1.00 0.00 C ATOM 1473 O LYS A 93 8.806 -12.765 -10.979 1.00 0.00 O ATOM 1474 CB LYS A 93 7.744 -13.899 -13.189 1.00 0.00 C ATOM 1475 CG LYS A 93 6.798 -14.130 -14.370 1.00 0.00 C ATOM 1476 CD LYS A 93 5.852 -15.288 -14.049 1.00 0.00 C ATOM 1477 CE LYS A 93 5.145 -15.740 -15.328 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.121 -14.728 -15.714 1.00 0.00 N ATOM 0 H LYS A 93 9.425 -12.182 -15.177 1.00 0.00 H new ATOM 0 HA LYS A 93 7.687 -11.813 -13.715 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.501 -14.683 -13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.191 -13.950 -12.251 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.226 -13.225 -14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.371 -14.354 -15.270 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.410 -16.118 -13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.118 -14.976 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.870 -15.864 -16.132 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.673 -16.710 -15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.640 -15.035 -16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.424 -14.630 -14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.584 -13.811 -15.880 1.00 0.00 H new ATOM 1492 N GLN A 94 9.484 -10.891 -11.899 1.00 0.00 N ATOM 1493 CA GLN A 94 10.002 -10.384 -10.594 1.00 0.00 C ATOM 1494 C GLN A 94 9.747 -8.879 -10.492 1.00 0.00 C ATOM 1495 O GLN A 94 9.270 -8.258 -11.421 1.00 0.00 O ATOM 1496 CB GLN A 94 11.505 -10.653 -10.504 1.00 0.00 C ATOM 1497 CG GLN A 94 11.751 -12.161 -10.444 1.00 0.00 C ATOM 1498 CD GLN A 94 13.160 -12.470 -10.951 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.808 -11.625 -11.536 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.667 -13.657 -10.749 1.00 0.00 N ATOM 0 H GLN A 94 9.608 -10.260 -12.690 1.00 0.00 H new ATOM 0 HA GLN A 94 9.491 -10.894 -9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.014 -10.225 -11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.919 -10.171 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.635 -12.518 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.012 -12.685 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.124 -14.367 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.606 -13.874 -11.082 1.00 0.00 H new ATOM 1509 N GLN A 95 10.062 -8.285 -9.372 1.00 0.00 N ATOM 1510 CA GLN A 95 9.835 -6.819 -9.224 1.00 0.00 C ATOM 1511 C GLN A 95 11.162 -6.076 -9.390 1.00 0.00 C ATOM 1512 O GLN A 95 12.102 -6.292 -8.650 1.00 0.00 O ATOM 1513 CB GLN A 95 9.262 -6.508 -7.836 1.00 0.00 C ATOM 1514 CG GLN A 95 8.478 -7.709 -7.301 1.00 0.00 C ATOM 1515 CD GLN A 95 7.583 -8.277 -8.403 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.804 -9.372 -8.881 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.571 -7.572 -8.829 1.00 0.00 N ATOM 0 H GLN A 95 10.464 -8.749 -8.558 1.00 0.00 H new ATOM 0 HA GLN A 95 9.128 -6.496 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.071 -6.258 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.611 -5.636 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.167 -8.476 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.872 -7.408 -6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.385 -6.653 -8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.966 -7.940 -9.563 1.00 0.00 H new ATOM 1526 N TYR A 96 11.243 -5.192 -10.345 1.00 0.00 N ATOM 1527 CA TYR A 96 12.503 -4.424 -10.542 1.00 0.00 C ATOM 1528 C TYR A 96 12.222 -2.946 -10.258 1.00 0.00 C ATOM 1529 O TYR A 96 11.336 -2.355 -10.836 1.00 0.00 O ATOM 1530 CB TYR A 96 13.016 -4.621 -11.979 1.00 0.00 C ATOM 1531 CG TYR A 96 12.356 -3.643 -12.925 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.804 -2.317 -12.982 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.307 -4.063 -13.750 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.201 -1.413 -13.863 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.702 -3.158 -14.631 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.150 -1.832 -14.688 1.00 0.00 C ATOM 1537 OH TYR A 96 10.557 -0.940 -15.558 1.00 0.00 O ATOM 0 H TYR A 96 10.491 -4.968 -10.997 1.00 0.00 H new ATOM 0 HA TYR A 96 13.275 -4.780 -9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.097 -4.486 -12.005 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.814 -5.641 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.615 -1.993 -12.346 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.964 -5.086 -13.707 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.546 -0.391 -13.907 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.891 -3.482 -15.266 1.00 0.00 H new ATOM 0 HH TYR A 96 9.846 -1.393 -16.057 1.00 0.00 H new ATOM 1547 N VAL A 97 12.954 -2.345 -9.362 1.00 0.00 N ATOM 1548 CA VAL A 97 12.698 -0.911 -9.039 1.00 0.00 C ATOM 1549 C VAL A 97 13.499 -0.021 -9.981 1.00 0.00 C ATOM 1550 O VAL A 97 14.367 -0.476 -10.690 1.00 0.00 O ATOM 1551 CB VAL A 97 13.133 -0.616 -7.601 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.063 -1.100 -6.630 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.449 -1.339 -7.308 1.00 0.00 C ATOM 0 H VAL A 97 13.715 -2.781 -8.841 1.00 0.00 H new ATOM 0 HA VAL A 97 11.633 -0.711 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 97 13.271 0.458 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.377 -0.888 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.125 -0.585 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.921 -2.174 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.759 -1.129 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.310 -2.413 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.217 -0.991 -7.998 1.00 0.00 H new ATOM 1563 N SER A 98 13.208 1.249 -9.991 1.00 0.00 N ATOM 1564 CA SER A 98 13.951 2.178 -10.880 1.00 0.00 C ATOM 1565 C SER A 98 13.959 3.579 -10.254 1.00 0.00 C ATOM 1566 O SER A 98 12.921 4.158 -9.999 1.00 0.00 O ATOM 1567 CB SER A 98 13.273 2.216 -12.248 1.00 0.00 C ATOM 1568 OG SER A 98 14.119 2.872 -13.183 1.00 0.00 O ATOM 0 H SER A 98 12.484 1.684 -9.419 1.00 0.00 H new ATOM 0 HA SER A 98 14.979 1.836 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.058 1.202 -12.586 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.319 2.738 -12.177 1.00 0.00 H new ATOM 0 HG SER A 98 15.027 2.509 -13.113 1.00 0.00 H new ATOM 1574 N SER A 99 15.119 4.123 -9.997 1.00 0.00 N ATOM 1575 CA SER A 99 15.194 5.480 -9.383 1.00 0.00 C ATOM 1576 C SER A 99 14.657 6.521 -10.372 1.00 0.00 C ATOM 1577 O SER A 99 15.397 7.126 -11.115 1.00 0.00 O ATOM 1578 CB SER A 99 16.652 5.797 -9.033 1.00 0.00 C ATOM 1579 OG SER A 99 17.324 6.294 -10.184 1.00 0.00 O ATOM 0 H SER A 99 16.020 3.684 -10.187 1.00 0.00 H new ATOM 0 HA SER A 99 14.591 5.506 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.692 6.534 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.152 4.900 -8.667 1.00 0.00 H new ATOM 0 HG SER A 99 16.728 6.240 -10.960 1.00 0.00 H new ATOM 1585 N GLU A 100 13.371 6.735 -10.391 1.00 0.00 N ATOM 1586 CA GLU A 100 12.804 7.738 -11.338 1.00 0.00 C ATOM 1587 C GLU A 100 12.235 8.918 -10.548 1.00 0.00 C ATOM 1588 O GLU A 100 11.837 8.780 -9.408 1.00 0.00 O ATOM 1589 CB GLU A 100 11.687 7.088 -12.159 1.00 0.00 C ATOM 1590 CG GLU A 100 11.208 8.065 -13.234 1.00 0.00 C ATOM 1591 CD GLU A 100 9.806 8.565 -12.881 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.871 7.795 -13.021 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.692 9.711 -12.476 1.00 0.00 O ATOM 0 H GLU A 100 12.691 6.262 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 100 13.588 8.092 -12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.049 6.170 -12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.857 6.811 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.897 8.906 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.196 7.574 -14.207 1.00 0.00 H new ATOM 1600 N LYS A 101 12.194 10.080 -11.143 1.00 0.00 N ATOM 1601 CA LYS A 101 11.651 11.266 -10.423 1.00 0.00 C ATOM 1602 C LYS A 101 10.634 11.990 -11.301 1.00 0.00 C ATOM 1603 O LYS A 101 10.937 12.411 -12.398 1.00 0.00 O ATOM 1604 CB LYS A 101 12.781 12.213 -10.068 1.00 0.00 C ATOM 1605 CG LYS A 101 12.709 12.474 -8.570 1.00 0.00 C ATOM 1606 CD LYS A 101 14.118 12.572 -8.004 1.00 0.00 C ATOM 1607 CE LYS A 101 14.423 14.024 -7.628 1.00 0.00 C ATOM 1608 NZ LYS A 101 15.800 14.375 -8.076 1.00 0.00 N ATOM 0 H LYS A 101 12.513 10.258 -12.095 1.00 0.00 H new ATOM 0 HA LYS A 101 11.160 10.930 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.744 11.777 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.688 13.146 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.163 13.397 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.162 11.671 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.213 11.931 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.841 12.217 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.697 14.691 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.335 14.158 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.007 15.362 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.487 13.746 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.869 14.263 -9.108 1.00 0.00 H new ATOM 1622 N ASP A 102 9.427 12.140 -10.823 1.00 0.00 N ATOM 1623 CA ASP A 102 8.389 12.839 -11.628 1.00 0.00 C ATOM 1624 C ASP A 102 8.148 12.074 -12.925 1.00 0.00 C ATOM 1625 O ASP A 102 7.292 11.217 -13.010 1.00 0.00 O ATOM 1626 CB ASP A 102 8.863 14.258 -11.950 1.00 0.00 C ATOM 1627 CG ASP A 102 8.880 15.094 -10.669 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.915 15.025 -9.926 1.00 0.00 O ATOM 1629 OD2 ASP A 102 9.860 15.789 -10.453 1.00 0.00 O ATOM 0 H ASP A 102 9.117 11.808 -9.910 1.00 0.00 H new ATOM 0 HA ASP A 102 7.460 12.887 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.859 14.229 -12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.202 14.715 -12.686 1.00 0.00 H new ATOM 1634 N GLY A 103 8.903 12.382 -13.933 1.00 0.00 N ATOM 1635 CA GLY A 103 8.737 11.684 -15.239 1.00 0.00 C ATOM 1636 C GLY A 103 10.073 11.673 -15.983 1.00 0.00 C ATOM 1637 O GLY A 103 10.156 12.047 -17.136 1.00 0.00 O ATOM 0 H GLY A 103 9.635 13.092 -13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.390 10.663 -15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.978 12.187 -15.839 1.00 0.00 H new ATOM 1641 N LYS A 104 11.121 11.246 -15.332 1.00 0.00 N ATOM 1642 CA LYS A 104 12.451 11.208 -16.000 1.00 0.00 C ATOM 1643 C LYS A 104 13.220 9.973 -15.532 1.00 0.00 C ATOM 1644 O LYS A 104 14.137 10.068 -14.741 1.00 0.00 O ATOM 1645 CB LYS A 104 13.243 12.465 -15.638 1.00 0.00 C ATOM 1646 CG LYS A 104 13.195 12.677 -14.125 1.00 0.00 C ATOM 1647 CD LYS A 104 12.567 14.039 -13.821 1.00 0.00 C ATOM 1648 CE LYS A 104 13.046 14.527 -12.453 1.00 0.00 C ATOM 1649 NZ LYS A 104 13.608 15.901 -12.585 1.00 0.00 N ATOM 0 H LYS A 104 11.112 10.922 -14.365 1.00 0.00 H new ATOM 0 HA LYS A 104 12.312 11.165 -17.080 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.276 12.365 -15.970 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.826 13.331 -16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.615 11.884 -13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.201 12.627 -13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.842 14.758 -14.592 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.480 13.961 -13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.218 14.528 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.803 13.849 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.934 16.234 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.409 15.886 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.873 16.543 -12.944 1.00 0.00 H new ATOM 1663 N ALA A 105 12.852 8.816 -16.011 1.00 0.00 N ATOM 1664 CA ALA A 105 13.562 7.576 -15.590 1.00 0.00 C ATOM 1665 C ALA A 105 15.071 7.827 -15.590 1.00 0.00 C ATOM 1666 O ALA A 105 15.732 7.709 -16.603 1.00 0.00 O ATOM 1667 CB ALA A 105 13.231 6.443 -16.563 1.00 0.00 C ATOM 0 H ALA A 105 12.091 8.676 -16.675 1.00 0.00 H new ATOM 0 HA ALA A 105 13.241 7.297 -14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.750 5.536 -16.255 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.156 6.264 -16.561 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.551 6.721 -17.567 1.00 0.00 H new ATOM 1673 N THR A 106 15.617 8.174 -14.459 1.00 0.00 N ATOM 1674 CA THR A 106 17.081 8.436 -14.380 1.00 0.00 C ATOM 1675 C THR A 106 17.846 7.302 -15.061 1.00 0.00 C ATOM 1676 O THR A 106 18.965 7.471 -15.503 1.00 0.00 O ATOM 1677 CB THR A 106 17.493 8.508 -12.911 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.355 7.224 -12.322 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.600 9.511 -12.178 1.00 0.00 C ATOM 0 H THR A 106 15.110 8.288 -13.581 1.00 0.00 H new ATOM 0 HA THR A 106 17.311 9.377 -14.880 1.00 0.00 H new ATOM 0 HB THR A 106 18.531 8.831 -12.837 1.00 0.00 H new ATOM 0 HG1 THR A 106 17.812 7.211 -11.455 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.894 9.562 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.708 10.495 -12.634 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.560 9.191 -12.248 1.00 0.00 H new ATOM 1687 N GLY A 107 17.254 6.145 -15.135 1.00 0.00 N ATOM 1688 CA GLY A 107 17.947 4.990 -15.772 1.00 0.00 C ATOM 1689 C GLY A 107 18.185 3.920 -14.710 1.00 0.00 C ATOM 1690 O GLY A 107 18.215 2.738 -14.993 1.00 0.00 O ATOM 0 H GLY A 107 16.318 5.947 -14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.343 4.588 -16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.894 5.310 -16.206 1.00 0.00 H new ATOM 1694 N TRP A 108 18.343 4.331 -13.481 1.00 0.00 N ATOM 1695 CA TRP A 108 18.566 3.349 -12.385 1.00 0.00 C ATOM 1696 C TRP A 108 17.422 2.337 -12.384 1.00 0.00 C ATOM 1697 O TRP A 108 16.268 2.701 -12.351 1.00 0.00 O ATOM 1698 CB TRP A 108 18.590 4.087 -11.046 1.00 0.00 C ATOM 1699 CG TRP A 108 19.247 3.235 -10.007 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.551 3.320 -9.659 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.669 2.183 -9.171 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.814 2.392 -8.669 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.689 1.666 -8.335 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.376 1.631 -9.054 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.439 0.644 -7.421 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.125 0.601 -8.134 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.153 0.110 -7.320 1.00 0.00 C ATOM 0 H TRP A 108 18.327 5.308 -13.189 1.00 0.00 H new ATOM 0 HA TRP A 108 19.515 2.834 -12.535 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.128 5.029 -11.150 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.574 4.333 -10.738 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.271 4.003 -10.086 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.729 2.260 -8.238 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.575 2.003 -9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.235 0.268 -6.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.132 0.184 -8.053 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.951 -0.682 -6.614 1.00 0.00 H new ATOM 1718 N SER A 109 17.732 1.073 -12.421 1.00 0.00 N ATOM 1719 CA SER A 109 16.655 0.044 -12.421 1.00 0.00 C ATOM 1720 C SER A 109 17.182 -1.232 -11.754 1.00 0.00 C ATOM 1721 O SER A 109 17.886 -2.012 -12.364 1.00 0.00 O ATOM 1722 CB SER A 109 16.253 -0.272 -13.863 1.00 0.00 C ATOM 1723 OG SER A 109 17.202 -1.166 -14.430 1.00 0.00 O ATOM 0 H SER A 109 18.684 0.707 -12.451 1.00 0.00 H new ATOM 0 HA SER A 109 15.789 0.419 -11.875 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.258 -0.717 -13.886 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.206 0.646 -14.449 1.00 0.00 H new ATOM 0 HG SER A 109 17.132 -2.039 -13.991 1.00 0.00 H new ATOM 1729 N ALA A 110 16.855 -1.456 -10.510 1.00 0.00 N ATOM 1730 CA ALA A 110 17.351 -2.684 -9.825 1.00 0.00 C ATOM 1731 C ALA A 110 16.366 -3.828 -10.049 1.00 0.00 C ATOM 1732 O ALA A 110 15.220 -3.620 -10.396 1.00 0.00 O ATOM 1733 CB ALA A 110 17.486 -2.423 -8.323 1.00 0.00 C ATOM 0 H ALA A 110 16.269 -0.845 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 110 18.325 -2.952 -10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.849 -3.324 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.192 -1.609 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.514 -2.150 -7.912 1.00 0.00 H new ATOM 1739 N PHE A 111 16.809 -5.039 -9.857 1.00 0.00 N ATOM 1740 CA PHE A 111 15.907 -6.203 -10.063 1.00 0.00 C ATOM 1741 C PHE A 111 15.936 -7.103 -8.833 1.00 0.00 C ATOM 1742 O PHE A 111 16.956 -7.273 -8.199 1.00 0.00 O ATOM 1743 CB PHE A 111 16.375 -7.008 -11.278 1.00 0.00 C ATOM 1744 CG PHE A 111 16.627 -6.082 -12.440 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.749 -5.246 -12.434 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.745 -6.064 -13.525 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.989 -4.391 -13.514 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.984 -5.210 -14.607 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.107 -4.374 -14.600 1.00 0.00 C ATOM 0 H PHE A 111 17.758 -5.272 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 111 14.893 -5.840 -10.228 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.285 -7.555 -11.034 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.621 -7.747 -11.548 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.429 -5.261 -11.595 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.879 -6.710 -13.528 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.854 -3.745 -13.510 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.304 -5.196 -15.446 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.293 -3.714 -15.435 1.00 0.00 H new ATOM 1759 N TYR A 112 14.828 -7.693 -8.493 1.00 0.00 N ATOM 1760 CA TYR A 112 14.810 -8.589 -7.310 1.00 0.00 C ATOM 1761 C TYR A 112 15.129 -10.015 -7.754 1.00 0.00 C ATOM 1762 O TYR A 112 14.311 -10.686 -8.351 1.00 0.00 O ATOM 1763 CB TYR A 112 13.429 -8.554 -6.659 1.00 0.00 C ATOM 1764 CG TYR A 112 13.593 -8.554 -5.161 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.629 -9.288 -4.571 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.715 -7.816 -4.363 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.784 -9.285 -3.181 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.871 -7.813 -2.974 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.906 -8.547 -2.381 1.00 0.00 C ATOM 1770 OH TYR A 112 14.059 -8.541 -1.010 1.00 0.00 O ATOM 0 H TYR A 112 13.938 -7.594 -8.981 1.00 0.00 H new ATOM 0 HA TYR A 112 15.555 -8.254 -6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.885 -7.665 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.842 -9.417 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.308 -9.856 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.917 -7.249 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.582 -9.853 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.192 -7.243 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 112 13.656 -7.728 -0.639 1.00 0.00 H new ATOM 1780 N VAL A 113 16.307 -10.490 -7.461 1.00 0.00 N ATOM 1781 CA VAL A 113 16.664 -11.871 -7.859 1.00 0.00 C ATOM 1782 C VAL A 113 16.247 -12.809 -6.727 1.00 0.00 C ATOM 1783 O VAL A 113 15.238 -12.595 -6.096 1.00 0.00 O ATOM 1784 CB VAL A 113 18.174 -11.968 -8.109 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.463 -13.161 -9.020 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.668 -10.687 -8.795 1.00 0.00 C ATOM 0 H VAL A 113 17.035 -9.978 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 113 16.152 -12.149 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 113 18.687 -12.095 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.536 -13.231 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.114 -14.077 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.945 -13.027 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.741 -10.759 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.152 -10.562 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.462 -9.829 -8.155 1.00 0.00 H new ATOM 1796 N ASP A 114 17.018 -13.814 -6.430 1.00 0.00 N ATOM 1797 CA ASP A 114 16.637 -14.725 -5.312 1.00 0.00 C ATOM 1798 C ASP A 114 16.767 -13.920 -4.038 1.00 0.00 C ATOM 1799 O ASP A 114 17.813 -13.899 -3.418 1.00 0.00 O ATOM 1800 CB ASP A 114 17.584 -15.928 -5.270 1.00 0.00 C ATOM 1801 CG ASP A 114 16.910 -17.131 -5.932 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.034 -17.709 -5.312 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.283 -17.453 -7.049 1.00 0.00 O ATOM 0 H ASP A 114 17.889 -14.046 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 114 15.623 -15.103 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.515 -15.690 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.843 -16.165 -4.238 1.00 0.00 H new ATOM 1808 N GLY A 115 15.744 -13.189 -3.674 1.00 0.00 N ATOM 1809 CA GLY A 115 15.875 -12.319 -2.481 1.00 0.00 C ATOM 1810 C GLY A 115 17.181 -11.557 -2.679 1.00 0.00 C ATOM 1811 O GLY A 115 17.861 -11.191 -1.741 1.00 0.00 O ATOM 0 H GLY A 115 14.840 -13.160 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.030 -11.636 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.899 -12.909 -1.565 1.00 0.00 H new ATOM 1815 N LYS A 116 17.556 -11.371 -3.928 1.00 0.00 N ATOM 1816 CA LYS A 116 18.848 -10.694 -4.223 1.00 0.00 C ATOM 1817 C LYS A 116 18.655 -9.475 -5.128 1.00 0.00 C ATOM 1818 O LYS A 116 18.900 -9.539 -6.314 1.00 0.00 O ATOM 1819 CB LYS A 116 19.777 -11.686 -4.926 1.00 0.00 C ATOM 1820 CG LYS A 116 20.942 -12.047 -3.999 1.00 0.00 C ATOM 1821 CD LYS A 116 20.409 -12.357 -2.599 1.00 0.00 C ATOM 1822 CE LYS A 116 21.307 -13.400 -1.930 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.265 -12.718 -1.014 1.00 0.00 N ATOM 0 H LYS A 116 17.020 -11.660 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 116 19.276 -10.355 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.225 -12.585 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.156 -11.251 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.480 -12.909 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.653 -11.222 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.381 -11.447 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 116 19.386 -12.729 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 116 20.700 -14.114 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.851 -13.966 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.875 -13.427 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.852 -12.053 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.737 -12.197 -0.285 1.00 0.00 H new ATOM 1837 N TRP A 117 18.249 -8.358 -4.589 1.00 0.00 N ATOM 1838 CA TRP A 117 18.087 -7.155 -5.452 1.00 0.00 C ATOM 1839 C TRP A 117 19.344 -7.005 -6.316 1.00 0.00 C ATOM 1840 O TRP A 117 20.384 -7.554 -6.009 1.00 0.00 O ATOM 1841 CB TRP A 117 17.916 -5.912 -4.579 1.00 0.00 C ATOM 1842 CG TRP A 117 16.469 -5.727 -4.259 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.929 -5.837 -3.024 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.372 -5.399 -5.159 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.569 -5.607 -3.106 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.177 -5.328 -4.402 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.295 -5.158 -6.544 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.951 -5.028 -4.998 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.065 -4.856 -7.145 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.895 -4.790 -6.374 1.00 0.00 C ATOM 0 H TRP A 117 18.025 -8.227 -3.602 1.00 0.00 H new ATOM 0 HA TRP A 117 17.206 -7.266 -6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.493 -6.017 -3.660 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.300 -5.034 -5.098 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.473 -6.067 -2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.933 -5.639 -2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.189 -5.206 -7.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.053 -4.980 -4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.018 -4.673 -8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 117 11.951 -4.555 -6.844 1.00 0.00 H new ATOM 1861 N VAL A 118 19.261 -6.278 -7.394 1.00 0.00 N ATOM 1862 CA VAL A 118 20.455 -6.110 -8.271 1.00 0.00 C ATOM 1863 C VAL A 118 20.392 -4.750 -8.967 1.00 0.00 C ATOM 1864 O VAL A 118 19.450 -4.001 -8.799 1.00 0.00 O ATOM 1865 CB VAL A 118 20.482 -7.223 -9.327 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.334 -8.386 -8.829 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.064 -7.730 -9.585 1.00 0.00 C ATOM 0 H VAL A 118 18.420 -5.793 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 118 21.358 -6.166 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 118 20.904 -6.821 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.350 -9.174 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.351 -8.039 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 118 20.911 -8.777 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.091 -8.520 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.644 -8.123 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.444 -6.909 -9.944 1.00 0.00 H new ATOM 1877 N GLU A 119 21.384 -4.424 -9.749 1.00 0.00 N ATOM 1878 CA GLU A 119 21.376 -3.111 -10.456 1.00 0.00 C ATOM 1879 C GLU A 119 21.880 -3.301 -11.887 1.00 0.00 C ATOM 1880 O GLU A 119 22.972 -3.784 -12.112 1.00 0.00 O ATOM 1881 CB GLU A 119 22.287 -2.128 -9.718 1.00 0.00 C ATOM 1882 CG GLU A 119 21.865 -2.041 -8.250 1.00 0.00 C ATOM 1883 CD GLU A 119 22.570 -3.138 -7.451 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.347 -3.869 -8.043 1.00 0.00 O ATOM 1885 OE2 GLU A 119 22.321 -3.228 -6.259 1.00 0.00 O ATOM 0 H GLU A 119 22.200 -5.009 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 119 20.360 -2.716 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.325 -2.454 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.229 -1.144 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.119 -1.061 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.784 -2.151 -8.164 1.00 0.00 H new ATOM 1892 N GLY A 120 21.093 -2.924 -12.858 1.00 0.00 N ATOM 1893 CA GLY A 120 21.529 -3.082 -14.275 1.00 0.00 C ATOM 1894 C GLY A 120 22.328 -1.851 -14.704 1.00 0.00 C ATOM 1895 O GLY A 120 23.105 -1.898 -15.636 1.00 0.00 O ATOM 0 H GLY A 120 20.168 -2.514 -12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.139 -3.979 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.661 -3.208 -14.922 1.00 0.00 H new