USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 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 84 THR OG1 : rot -170:sc= -4.75! USER MOD Set 1.2: A 99 SER OG : rot 152:sc= -5.9! USER MOD Set 2.1: A 82 ASN : amide:sc= -16.6! C(o=-18!,f=-13!) USER MOD Set 2.2: A 106 THR OG1 : rot 43:sc= -1.1! USER MOD Set 3.1: A 76 GLN : amide:sc= -5.09! C(o=-12!,f=-12!) USER MOD Set 3.2: A 77 GLN : amide:sc= -6.43! C(o=-12!,f=-15!) USER MOD Set 4.1: A 23 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 26 TYR OH : rot 70:sc= 0.868 USER MOD Set 5.2: A 41 ASN : amide:sc= -13.8! C(o=-17!,f=-13!) USER MOD Set 5.3: A 42 THR OG1 : rot 166:sc= -3.54! USER MOD Set 6.1: A 20 CYS SG : rot 14:sc= -17.4! USER MOD Set 6.2: A 46 SER OG : rot 140:sc= -3.33! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -158:sc= 0.825 USER MOD Single : A 83 LYS NZ :NH3+ -128:sc= 1.07 (180deg=-0.0483) USER MOD Single : A 85 MET CE :methyl 159:sc= -9.63! (180deg=-13!) USER MOD Single : A 89 SER OG : rot 35:sc= 1.3 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4!) USER MOD Single : A 95 GLN : amide:sc= -2.36 K(o=-2.4,f=-5.2!) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0282 USER MOD Single : A 98 SER OG : rot -56:sc= 0.546 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -97:sc=-0.00888 (180deg=-0.618) USER MOD Single : A 109 SER OG : rot 64:sc= 0.998 USER MOD Single : A 112 TYR OH : rot 15:sc= -1.29! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.862 -6.435 0.115 1.00 0.00 N ATOM 160 CA PRO A 12 -6.459 -6.812 0.114 1.00 0.00 C ATOM 161 C PRO A 12 -5.664 -5.901 1.054 1.00 0.00 C ATOM 162 O PRO A 12 -5.485 -6.202 2.219 1.00 0.00 O ATOM 163 CB PRO A 12 -6.014 -6.619 -1.331 1.00 0.00 C ATOM 164 CG PRO A 12 -7.004 -5.546 -1.890 1.00 0.00 C ATOM 165 CD PRO A 12 -8.322 -5.702 -1.074 1.00 0.00 C ATOM 0 HA PRO A 12 -6.298 -7.833 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.981 -6.277 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.074 -7.550 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.594 -4.542 -1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.185 -5.700 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.758 -4.737 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.081 -6.256 -1.627 1.00 0.00 H new ATOM 173 N VAL A 13 -5.189 -4.791 0.562 1.00 0.00 N ATOM 174 CA VAL A 13 -4.408 -3.864 1.429 1.00 0.00 C ATOM 175 C VAL A 13 -4.842 -2.420 1.158 1.00 0.00 C ATOM 176 O VAL A 13 -4.056 -1.615 0.701 1.00 0.00 O ATOM 177 CB VAL A 13 -2.917 -4.017 1.122 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.134 -2.903 1.817 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.431 -5.376 1.632 1.00 0.00 C ATOM 0 H VAL A 13 -5.308 -4.485 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.591 -4.105 2.476 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.759 -3.953 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.072 -3.013 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.481 -1.935 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.290 -2.966 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.369 -5.488 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.589 -5.438 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.988 -6.171 1.137 1.00 0.00 H new ATOM 189 N PRO A 14 -6.087 -2.134 1.454 1.00 0.00 N ATOM 190 CA PRO A 14 -6.638 -0.802 1.254 1.00 0.00 C ATOM 191 C PRO A 14 -5.716 0.251 1.877 1.00 0.00 C ATOM 192 O PRO A 14 -5.328 0.139 3.023 1.00 0.00 O ATOM 193 CB PRO A 14 -7.980 -0.834 1.978 1.00 0.00 C ATOM 194 CG PRO A 14 -8.369 -2.345 1.953 1.00 0.00 C ATOM 195 CD PRO A 14 -7.023 -3.125 2.010 1.00 0.00 C ATOM 0 HA PRO A 14 -6.742 -0.544 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.896 -0.458 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.724 -0.219 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.006 -2.600 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.927 -2.591 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.759 -3.414 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.053 -4.039 1.417 1.00 0.00 H new ATOM 203 N LEU A 15 -5.367 1.284 1.148 1.00 0.00 N ATOM 204 CA LEU A 15 -4.481 2.328 1.741 1.00 0.00 C ATOM 205 C LEU A 15 -5.196 3.687 1.791 1.00 0.00 C ATOM 206 O LEU A 15 -4.655 4.675 1.350 1.00 0.00 O ATOM 207 CB LEU A 15 -3.199 2.469 0.917 1.00 0.00 C ATOM 208 CG LEU A 15 -2.408 1.161 0.964 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.831 0.858 -0.419 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.263 1.301 1.970 1.00 0.00 C ATOM 0 H LEU A 15 -5.653 1.446 0.183 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.232 2.017 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.445 2.720 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.592 3.286 1.308 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.068 0.348 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.268 -0.075 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.643 0.763 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.170 1.669 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.696 0.371 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.606 2.115 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.671 1.517 2.957 1.00 0.00 H new ATOM 222 N PRO A 16 -6.381 3.701 2.348 1.00 0.00 N ATOM 223 CA PRO A 16 -7.148 4.924 2.500 1.00 0.00 C ATOM 224 C PRO A 16 -6.235 6.106 2.858 1.00 0.00 C ATOM 225 O PRO A 16 -6.368 7.184 2.315 1.00 0.00 O ATOM 226 CB PRO A 16 -8.111 4.620 3.639 1.00 0.00 C ATOM 227 CG PRO A 16 -8.279 3.063 3.594 1.00 0.00 C ATOM 228 CD PRO A 16 -7.036 2.492 2.844 1.00 0.00 C ATOM 0 HA PRO A 16 -7.661 5.210 1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.711 4.950 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.065 5.128 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.343 2.653 4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.200 2.789 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.387 1.923 3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.324 1.824 2.032 1.00 0.00 H new ATOM 236 N GLU A 17 -5.313 5.916 3.768 1.00 0.00 N ATOM 237 CA GLU A 17 -4.400 7.035 4.155 1.00 0.00 C ATOM 238 C GLU A 17 -3.950 7.786 2.899 1.00 0.00 C ATOM 239 O GLU A 17 -4.021 8.996 2.823 1.00 0.00 O ATOM 240 CB GLU A 17 -3.175 6.469 4.878 1.00 0.00 C ATOM 241 CG GLU A 17 -2.781 7.405 6.022 1.00 0.00 C ATOM 242 CD GLU A 17 -1.925 8.548 5.474 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.723 8.366 5.370 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.487 9.588 5.168 1.00 0.00 O ATOM 0 H GLU A 17 -5.153 5.036 4.259 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.928 7.720 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.396 5.475 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.345 6.361 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.674 7.804 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.227 6.854 6.783 1.00 0.00 H new ATOM 251 N LEU A 18 -3.492 7.068 1.913 1.00 0.00 N ATOM 252 CA LEU A 18 -3.038 7.717 0.653 1.00 0.00 C ATOM 253 C LEU A 18 -4.244 7.877 -0.288 1.00 0.00 C ATOM 254 O LEU A 18 -4.915 6.911 -0.590 1.00 0.00 O ATOM 255 CB LEU A 18 -1.999 6.816 -0.017 1.00 0.00 C ATOM 256 CG LEU A 18 -0.687 7.578 -0.192 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.407 6.910 0.642 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.288 7.555 -1.667 1.00 0.00 C ATOM 0 H LEU A 18 -3.412 6.051 1.926 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.603 8.693 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.834 5.924 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.367 6.480 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.814 8.609 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.343 7.454 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.120 6.919 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.539 5.880 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.648 8.097 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.159 6.523 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.069 8.028 -2.263 1.00 0.00 H new ATOM 270 N PRO A 19 -4.495 9.094 -0.713 1.00 0.00 N ATOM 271 CA PRO A 19 -5.617 9.385 -1.597 1.00 0.00 C ATOM 272 C PRO A 19 -5.357 8.853 -3.010 1.00 0.00 C ATOM 273 O PRO A 19 -4.235 8.571 -3.384 1.00 0.00 O ATOM 274 CB PRO A 19 -5.710 10.906 -1.606 1.00 0.00 C ATOM 275 CG PRO A 19 -4.258 11.362 -1.267 1.00 0.00 C ATOM 276 CD PRO A 19 -3.676 10.258 -0.339 1.00 0.00 C ATOM 0 HA PRO A 19 -6.539 8.911 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.033 11.283 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.427 11.269 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.660 11.468 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.258 12.332 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.615 10.088 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.782 10.512 0.716 1.00 0.00 H new ATOM 284 N CYS A 20 -6.392 8.717 -3.797 1.00 0.00 N ATOM 285 CA CYS A 20 -6.218 8.208 -5.187 1.00 0.00 C ATOM 286 C CYS A 20 -6.449 9.345 -6.186 1.00 0.00 C ATOM 287 O CYS A 20 -5.519 9.968 -6.658 1.00 0.00 O ATOM 288 CB CYS A 20 -7.229 7.090 -5.451 1.00 0.00 C ATOM 289 SG CYS A 20 -6.348 5.540 -5.759 1.00 0.00 S ATOM 0 H CYS A 20 -7.353 8.938 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.205 7.822 -5.304 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.895 6.978 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.852 7.343 -6.309 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.104 5.670 -5.405 1.00 0.00 H new ATOM 295 N GLU A 21 -7.684 9.617 -6.518 1.00 0.00 N ATOM 296 CA GLU A 21 -7.972 10.710 -7.491 1.00 0.00 C ATOM 297 C GLU A 21 -8.628 11.888 -6.766 1.00 0.00 C ATOM 298 O GLU A 21 -9.380 12.645 -7.348 1.00 0.00 O ATOM 299 CB GLU A 21 -8.918 10.190 -8.578 1.00 0.00 C ATOM 300 CG GLU A 21 -8.134 9.976 -9.874 1.00 0.00 C ATOM 301 CD GLU A 21 -9.109 9.768 -11.034 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.968 8.910 -10.914 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.981 10.471 -12.024 1.00 0.00 O ATOM 0 H GLU A 21 -8.504 9.130 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.039 11.041 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.377 9.254 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.727 10.902 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.496 10.837 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.479 9.110 -9.776 1.00 0.00 H new ATOM 310 N LYS A 22 -8.351 12.050 -5.501 1.00 0.00 N ATOM 311 CA LYS A 22 -8.960 13.180 -4.745 1.00 0.00 C ATOM 312 C LYS A 22 -10.484 13.104 -4.858 1.00 0.00 C ATOM 313 O LYS A 22 -11.184 14.068 -4.615 1.00 0.00 O ATOM 314 CB LYS A 22 -8.471 14.507 -5.329 1.00 0.00 C ATOM 315 CG LYS A 22 -8.010 15.426 -4.196 1.00 0.00 C ATOM 316 CD LYS A 22 -6.481 15.489 -4.180 1.00 0.00 C ATOM 317 CE LYS A 22 -6.026 16.913 -4.505 1.00 0.00 C ATOM 318 NZ LYS A 22 -5.341 16.925 -5.828 1.00 0.00 N ATOM 0 H LYS A 22 -7.730 11.449 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.669 13.116 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.650 14.330 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.271 14.984 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.424 16.425 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.379 15.055 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.104 15.190 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.070 14.789 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.884 17.586 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.351 17.276 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.031 17.893 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.514 16.295 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.999 16.595 -6.563 1.00 0.00 H new ATOM 332 N SER A 23 -11.002 11.966 -5.227 1.00 0.00 N ATOM 333 CA SER A 23 -12.479 11.824 -5.358 1.00 0.00 C ATOM 334 C SER A 23 -13.018 11.017 -4.175 1.00 0.00 C ATOM 335 O SER A 23 -13.966 10.268 -4.304 1.00 0.00 O ATOM 336 CB SER A 23 -12.802 11.090 -6.660 1.00 0.00 C ATOM 337 OG SER A 23 -13.918 11.711 -7.284 1.00 0.00 O ATOM 0 H SER A 23 -10.465 11.126 -5.444 1.00 0.00 H new ATOM 0 HA SER A 23 -12.942 12.811 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.940 11.111 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.021 10.042 -6.456 1.00 0.00 H new ATOM 0 HG SER A 23 -14.029 11.351 -8.189 1.00 0.00 H new ATOM 343 N ASP A 24 -12.406 11.150 -3.029 1.00 0.00 N ATOM 344 CA ASP A 24 -12.861 10.378 -1.843 1.00 0.00 C ATOM 345 C ASP A 24 -12.402 8.936 -2.006 1.00 0.00 C ATOM 346 O ASP A 24 -12.704 8.079 -1.199 1.00 0.00 O ATOM 347 CB ASP A 24 -14.386 10.419 -1.741 1.00 0.00 C ATOM 348 CG ASP A 24 -14.793 11.034 -0.401 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.262 12.080 -0.066 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.629 10.449 0.268 1.00 0.00 O ATOM 0 H ASP A 24 -11.608 11.763 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.439 10.812 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.800 11.004 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.794 9.412 -1.830 1.00 0.00 H new ATOM 355 N ALA A 25 -11.672 8.659 -3.051 1.00 0.00 N ATOM 356 CA ALA A 25 -11.195 7.277 -3.268 1.00 0.00 C ATOM 357 C ALA A 25 -9.845 7.095 -2.583 1.00 0.00 C ATOM 358 O ALA A 25 -9.342 7.991 -1.935 1.00 0.00 O ATOM 359 CB ALA A 25 -11.049 7.016 -4.769 1.00 0.00 C ATOM 0 H ALA A 25 -11.388 9.335 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.913 6.573 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.697 5.997 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.015 7.147 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.331 7.718 -5.192 1.00 0.00 H new ATOM 365 N TYR A 26 -9.253 5.946 -2.718 1.00 0.00 N ATOM 366 CA TYR A 26 -7.936 5.715 -2.070 1.00 0.00 C ATOM 367 C TYR A 26 -7.128 4.717 -2.897 1.00 0.00 C ATOM 368 O TYR A 26 -7.510 4.350 -3.989 1.00 0.00 O ATOM 369 CB TYR A 26 -8.142 5.170 -0.657 1.00 0.00 C ATOM 370 CG TYR A 26 -9.440 4.400 -0.579 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.655 5.082 -0.446 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.424 3.001 -0.634 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.855 4.365 -0.366 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.624 2.284 -0.556 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.839 2.965 -0.421 1.00 0.00 C ATOM 376 OH TYR A 26 -13.022 2.258 -0.342 1.00 0.00 O ATOM 0 H TYR A 26 -9.623 5.157 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.393 6.658 -2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.309 4.522 -0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.154 5.991 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.667 6.161 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.486 2.475 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.793 4.891 -0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.612 1.205 -0.600 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.543 2.400 -1.160 1.00 0.00 H new ATOM 386 N PHE A 27 -6.006 4.284 -2.393 1.00 0.00 N ATOM 387 CA PHE A 27 -5.171 3.325 -3.167 1.00 0.00 C ATOM 388 C PHE A 27 -5.121 1.965 -2.466 1.00 0.00 C ATOM 389 O PHE A 27 -4.247 1.696 -1.672 1.00 0.00 O ATOM 390 CB PHE A 27 -3.752 3.879 -3.295 1.00 0.00 C ATOM 391 CG PHE A 27 -3.544 4.392 -4.697 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.909 3.600 -5.792 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.989 5.660 -4.903 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.718 4.076 -7.094 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.798 6.136 -6.205 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.163 5.344 -7.301 1.00 0.00 C ATOM 0 H PHE A 27 -5.633 4.552 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.613 3.194 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.596 4.682 -2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.023 3.101 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.338 2.622 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.708 6.271 -4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.999 3.465 -7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.369 7.114 -6.365 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.016 5.712 -8.306 1.00 0.00 H new ATOM 406 N VAL A 28 -6.042 1.097 -2.759 1.00 0.00 N ATOM 407 CA VAL A 28 -6.018 -0.243 -2.116 1.00 0.00 C ATOM 408 C VAL A 28 -4.960 -1.106 -2.808 1.00 0.00 C ATOM 409 O VAL A 28 -5.140 -1.554 -3.924 1.00 0.00 O ATOM 410 CB VAL A 28 -7.393 -0.900 -2.240 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.322 -2.339 -1.726 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.410 -0.113 -1.411 1.00 0.00 C ATOM 0 H VAL A 28 -6.808 1.255 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.772 -0.142 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.700 -0.904 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.303 -2.806 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.598 -2.901 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.015 -2.337 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.391 -0.581 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.102 -0.109 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.463 0.912 -1.777 1.00 0.00 H new ATOM 422 N LEU A 29 -3.854 -1.333 -2.154 1.00 0.00 N ATOM 423 CA LEU A 29 -2.773 -2.154 -2.767 1.00 0.00 C ATOM 424 C LEU A 29 -3.273 -3.576 -3.023 1.00 0.00 C ATOM 425 O LEU A 29 -3.779 -4.239 -2.139 1.00 0.00 O ATOM 426 CB LEU A 29 -1.571 -2.201 -1.820 1.00 0.00 C ATOM 427 CG LEU A 29 -0.490 -3.111 -2.406 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.502 -2.272 -3.212 1.00 0.00 C ATOM 429 CD2 LEU A 29 0.250 -3.821 -1.270 1.00 0.00 C ATOM 0 H LEU A 29 -3.652 -0.983 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.479 -1.704 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.174 -1.197 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.880 -2.570 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.954 -3.851 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.272 -2.921 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.023 -1.765 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.966 -1.531 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.020 -4.470 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.713 -3.080 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.456 -4.420 -0.694 1.00 0.00 H new ATOM 441 N ARG A 30 -3.127 -4.052 -4.230 1.00 0.00 N ATOM 442 CA ARG A 30 -3.581 -5.432 -4.553 1.00 0.00 C ATOM 443 C ARG A 30 -2.428 -6.197 -5.203 1.00 0.00 C ATOM 444 O ARG A 30 -1.280 -5.806 -5.109 1.00 0.00 O ATOM 445 CB ARG A 30 -4.764 -5.368 -5.521 1.00 0.00 C ATOM 446 CG ARG A 30 -5.915 -4.598 -4.873 1.00 0.00 C ATOM 447 CD ARG A 30 -6.191 -3.323 -5.673 1.00 0.00 C ATOM 448 NE ARG A 30 -6.947 -3.667 -6.909 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.250 -3.738 -6.878 1.00 0.00 C ATOM 450 NH1 ARG A 30 -8.967 -2.664 -7.067 1.00 0.00 N ATOM 451 NH2 ARG A 30 -8.836 -4.884 -6.657 1.00 0.00 N ATOM 0 H ARG A 30 -2.711 -3.541 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.891 -5.941 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.463 -4.880 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.088 -6.375 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.810 -5.220 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.664 -4.346 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.762 -2.618 -5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.252 -2.833 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.447 -3.847 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.509 -1.769 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.985 -2.720 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.275 -5.723 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.854 -4.940 -6.633 1.00 0.00 H new ATOM 465 N ASP A 31 -2.719 -7.282 -5.867 1.00 0.00 N ATOM 466 CA ASP A 31 -1.633 -8.065 -6.521 1.00 0.00 C ATOM 467 C ASP A 31 -2.185 -8.766 -7.763 1.00 0.00 C ATOM 468 O ASP A 31 -2.790 -9.817 -7.678 1.00 0.00 O ATOM 469 CB ASP A 31 -1.095 -9.110 -5.541 1.00 0.00 C ATOM 470 CG ASP A 31 -2.224 -10.058 -5.135 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.349 -9.600 -5.034 1.00 0.00 O ATOM 472 OD2 ASP A 31 -1.944 -11.229 -4.933 1.00 0.00 O ATOM 0 H ASP A 31 -3.659 -7.659 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.827 -7.392 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.282 -9.672 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.683 -8.619 -4.659 1.00 0.00 H new ATOM 477 N GLY A 32 -1.983 -8.194 -8.918 1.00 0.00 N ATOM 478 CA GLY A 32 -2.496 -8.828 -10.165 1.00 0.00 C ATOM 479 C GLY A 32 -1.769 -10.153 -10.399 1.00 0.00 C ATOM 480 O GLY A 32 -1.362 -10.821 -9.470 1.00 0.00 O ATOM 0 H GLY A 32 -1.484 -7.314 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.569 -8.999 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.343 -8.162 -11.014 1.00 0.00 H new ATOM 484 N ALA A 33 -1.605 -10.540 -11.635 1.00 0.00 N ATOM 485 CA ALA A 33 -0.904 -11.822 -11.927 1.00 0.00 C ATOM 486 C ALA A 33 0.557 -11.537 -12.278 1.00 0.00 C ATOM 487 O ALA A 33 1.363 -12.437 -12.399 1.00 0.00 O ATOM 488 CB ALA A 33 -1.586 -12.520 -13.105 1.00 0.00 C ATOM 0 H ALA A 33 -1.926 -10.024 -12.454 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.947 -12.467 -11.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.073 -13.458 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.627 -12.725 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.545 -11.876 -13.983 1.00 0.00 H new ATOM 494 N ALA A 34 0.905 -10.290 -12.440 1.00 0.00 N ATOM 495 CA ALA A 34 2.314 -9.950 -12.783 1.00 0.00 C ATOM 496 C ALA A 34 3.071 -9.574 -11.507 1.00 0.00 C ATOM 497 O ALA A 34 4.114 -10.120 -11.209 1.00 0.00 O ATOM 498 CB ALA A 34 2.332 -8.768 -13.755 1.00 0.00 C ATOM 0 H ALA A 34 0.275 -9.493 -12.350 1.00 0.00 H new ATOM 0 HA ALA A 34 2.793 -10.810 -13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.363 -8.519 -14.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.792 -9.035 -14.663 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.854 -7.906 -13.289 1.00 0.00 H new ATOM 504 N GLY A 35 2.553 -8.644 -10.751 1.00 0.00 N ATOM 505 CA GLY A 35 3.245 -8.235 -9.496 1.00 0.00 C ATOM 506 C GLY A 35 2.264 -7.489 -8.591 1.00 0.00 C ATOM 507 O GLY A 35 1.062 -7.595 -8.740 1.00 0.00 O ATOM 0 H GLY A 35 1.682 -8.151 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.635 -9.113 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.097 -7.597 -9.730 1.00 0.00 H new ATOM 511 N VAL A 36 2.765 -6.735 -7.650 1.00 0.00 N ATOM 512 CA VAL A 36 1.861 -5.985 -6.735 1.00 0.00 C ATOM 513 C VAL A 36 1.693 -4.552 -7.246 1.00 0.00 C ATOM 514 O VAL A 36 2.443 -4.089 -8.081 1.00 0.00 O ATOM 515 CB VAL A 36 2.465 -5.956 -5.329 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.921 -7.363 -4.941 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.669 -5.011 -5.308 1.00 0.00 C ATOM 0 H VAL A 36 3.762 -6.607 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 36 0.889 -6.477 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 36 1.714 -5.606 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.351 -7.343 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.066 -8.039 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.671 -7.711 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.098 -4.991 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.419 -5.361 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.348 -4.007 -5.585 1.00 0.00 H new ATOM 527 N PHE A 37 0.715 -3.846 -6.748 1.00 0.00 N ATOM 528 CA PHE A 37 0.503 -2.443 -7.204 1.00 0.00 C ATOM 529 C PHE A 37 -0.577 -1.787 -6.340 1.00 0.00 C ATOM 530 O PHE A 37 -1.017 -2.342 -5.353 1.00 0.00 O ATOM 531 CB PHE A 37 0.066 -2.445 -8.673 1.00 0.00 C ATOM 532 CG PHE A 37 -1.381 -2.864 -8.777 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.759 -4.172 -8.451 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.345 -1.940 -9.195 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.102 -4.556 -8.545 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.687 -2.323 -9.290 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.066 -3.631 -8.965 1.00 0.00 C ATOM 0 H PHE A 37 0.054 -4.179 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 37 1.432 -1.880 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.198 -1.452 -9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.693 -3.127 -9.247 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.015 -4.885 -8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.053 -0.931 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.394 -5.565 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.431 -1.610 -9.614 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.102 -3.927 -9.038 1.00 0.00 H new ATOM 547 N LEU A 38 -1.006 -0.608 -6.700 1.00 0.00 N ATOM 548 CA LEU A 38 -2.057 0.077 -5.895 1.00 0.00 C ATOM 549 C LEU A 38 -3.140 0.629 -6.823 1.00 0.00 C ATOM 550 O LEU A 38 -2.952 1.632 -7.483 1.00 0.00 O ATOM 551 CB LEU A 38 -1.434 1.234 -5.106 1.00 0.00 C ATOM 552 CG LEU A 38 0.021 0.905 -4.764 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.951 1.640 -5.730 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.319 1.351 -3.331 1.00 0.00 C ATOM 0 H LEU A 38 -0.675 -0.091 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.498 -0.641 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.481 2.152 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.001 1.410 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 38 0.182 -0.169 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.987 1.406 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.738 1.324 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.792 2.715 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.355 1.118 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.159 2.426 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.344 0.828 -2.642 1.00 0.00 H new ATOM 566 N ALA A 39 -4.275 -0.012 -6.877 1.00 0.00 N ATOM 567 CA ALA A 39 -5.366 0.490 -7.758 1.00 0.00 C ATOM 568 C ALA A 39 -6.311 1.369 -6.940 1.00 0.00 C ATOM 569 O ALA A 39 -6.473 1.189 -5.747 1.00 0.00 O ATOM 570 CB ALA A 39 -6.154 -0.686 -8.340 1.00 0.00 C ATOM 0 H ALA A 39 -4.493 -0.858 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.929 1.068 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.949 -0.309 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.485 -1.319 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.589 -1.269 -7.529 1.00 0.00 H new ATOM 576 N ALA A 40 -6.944 2.314 -7.574 1.00 0.00 N ATOM 577 CA ALA A 40 -7.884 3.199 -6.839 1.00 0.00 C ATOM 578 C ALA A 40 -9.180 2.433 -6.572 1.00 0.00 C ATOM 579 O ALA A 40 -9.643 1.675 -7.400 1.00 0.00 O ATOM 580 CB ALA A 40 -8.183 4.436 -7.686 1.00 0.00 C ATOM 0 H ALA A 40 -6.850 2.511 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.440 3.510 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.873 5.087 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.256 4.974 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.634 4.130 -8.630 1.00 0.00 H new ATOM 586 N ASN A 41 -9.767 2.614 -5.422 1.00 0.00 N ATOM 587 CA ASN A 41 -11.030 1.884 -5.114 1.00 0.00 C ATOM 588 C ASN A 41 -12.157 2.418 -6.004 1.00 0.00 C ATOM 589 O ASN A 41 -13.234 1.857 -6.064 1.00 0.00 O ATOM 590 CB ASN A 41 -11.387 2.075 -3.630 1.00 0.00 C ATOM 591 CG ASN A 41 -12.181 3.373 -3.434 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.080 3.432 -2.620 1.00 0.00 O ATOM 593 ND2 ASN A 41 -11.886 4.417 -4.157 1.00 0.00 N ATOM 0 H ASN A 41 -9.429 3.233 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.897 0.820 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.973 1.226 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.477 2.104 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.410 5.284 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.131 4.367 -4.841 1.00 0.00 H new ATOM 600 N THR A 42 -11.918 3.499 -6.694 1.00 0.00 N ATOM 601 CA THR A 42 -12.974 4.072 -7.574 1.00 0.00 C ATOM 602 C THR A 42 -12.900 3.424 -8.959 1.00 0.00 C ATOM 603 O THR A 42 -13.682 3.731 -9.835 1.00 0.00 O ATOM 604 CB THR A 42 -12.762 5.582 -7.704 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.556 5.945 -7.049 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.938 6.321 -7.063 1.00 0.00 C ATOM 0 H THR A 42 -11.036 4.011 -6.686 1.00 0.00 H new ATOM 0 HA THR A 42 -13.954 3.877 -7.138 1.00 0.00 H new ATOM 0 HB THR A 42 -12.699 5.853 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.300 6.853 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.786 7.396 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.863 6.040 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.004 6.054 -6.008 1.00 0.00 H new ATOM 614 N PHE A 43 -11.965 2.531 -9.159 1.00 0.00 N ATOM 615 CA PHE A 43 -11.830 1.855 -10.484 1.00 0.00 C ATOM 616 C PHE A 43 -13.224 1.580 -11.065 1.00 0.00 C ATOM 617 O PHE A 43 -14.133 1.236 -10.336 1.00 0.00 O ATOM 618 CB PHE A 43 -11.091 0.527 -10.295 1.00 0.00 C ATOM 619 CG PHE A 43 -11.081 -0.237 -11.596 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.216 -0.950 -11.999 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.934 -0.233 -12.400 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.204 -1.660 -13.206 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.923 -0.941 -13.607 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.058 -1.655 -14.010 1.00 0.00 C ATOM 0 H PHE A 43 -11.285 2.239 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.273 2.496 -11.167 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.070 0.712 -9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.577 -0.064 -9.519 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.101 -0.953 -11.379 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.058 0.317 -12.088 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.079 -2.212 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.039 -0.937 -14.228 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.049 -2.202 -14.941 1.00 0.00 H new ATOM 634 N PRO A 44 -13.353 1.729 -12.362 1.00 0.00 N ATOM 635 CA PRO A 44 -12.259 2.140 -13.231 1.00 0.00 C ATOM 636 C PRO A 44 -12.061 3.663 -13.184 1.00 0.00 C ATOM 637 O PRO A 44 -11.149 4.190 -13.790 1.00 0.00 O ATOM 638 CB PRO A 44 -12.711 1.719 -14.621 1.00 0.00 C ATOM 639 CG PRO A 44 -14.270 1.771 -14.529 1.00 0.00 C ATOM 640 CD PRO A 44 -14.628 1.470 -13.043 1.00 0.00 C ATOM 0 HA PRO A 44 -11.310 1.694 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.331 2.394 -15.388 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.357 0.719 -14.873 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.645 2.749 -14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.724 1.037 -15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.425 2.117 -12.676 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.963 0.442 -12.904 1.00 0.00 H new ATOM 648 N LYS A 45 -12.906 4.375 -12.482 1.00 0.00 N ATOM 649 CA LYS A 45 -12.757 5.858 -12.415 1.00 0.00 C ATOM 650 C LYS A 45 -11.278 6.205 -12.233 1.00 0.00 C ATOM 651 O LYS A 45 -10.626 6.680 -13.141 1.00 0.00 O ATOM 652 CB LYS A 45 -13.580 6.399 -11.236 1.00 0.00 C ATOM 653 CG LYS A 45 -13.047 7.767 -10.803 1.00 0.00 C ATOM 654 CD LYS A 45 -13.845 8.270 -9.598 1.00 0.00 C ATOM 655 CE LYS A 45 -14.897 9.278 -10.065 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.929 9.445 -9.003 1.00 0.00 N ATOM 0 H LYS A 45 -13.691 3.993 -11.954 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.120 6.313 -13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.628 6.483 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.533 5.701 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.990 7.692 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.126 8.477 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.327 7.433 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.176 8.736 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.426 10.236 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.362 8.933 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.645 10.130 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.385 8.529 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.478 9.792 -8.132 1.00 0.00 H new ATOM 670 N SER A 46 -10.742 5.965 -11.070 1.00 0.00 N ATOM 671 CA SER A 46 -9.306 6.276 -10.839 1.00 0.00 C ATOM 672 C SER A 46 -8.470 5.046 -11.198 1.00 0.00 C ATOM 673 O SER A 46 -8.160 4.226 -10.358 1.00 0.00 O ATOM 674 CB SER A 46 -9.090 6.637 -9.369 1.00 0.00 C ATOM 675 OG SER A 46 -7.702 6.594 -9.074 1.00 0.00 O ATOM 0 H SER A 46 -11.236 5.568 -10.271 1.00 0.00 H new ATOM 0 HA SER A 46 -9.004 7.120 -11.460 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.486 7.632 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.631 5.941 -8.728 1.00 0.00 H new ATOM 0 HG SER A 46 -7.469 7.342 -8.486 1.00 0.00 H new ATOM 681 N ARG A 47 -8.111 4.909 -12.446 1.00 0.00 N ATOM 682 CA ARG A 47 -7.305 3.730 -12.864 1.00 0.00 C ATOM 683 C ARG A 47 -5.818 4.051 -12.724 1.00 0.00 C ATOM 684 O ARG A 47 -5.023 3.754 -13.593 1.00 0.00 O ATOM 685 CB ARG A 47 -7.617 3.391 -14.322 1.00 0.00 C ATOM 686 CG ARG A 47 -8.580 2.204 -14.373 1.00 0.00 C ATOM 687 CD ARG A 47 -8.701 1.707 -15.815 1.00 0.00 C ATOM 688 NE ARG A 47 -8.749 2.872 -16.742 1.00 0.00 N ATOM 689 CZ ARG A 47 -9.735 2.993 -17.588 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.786 2.228 -18.644 1.00 0.00 N ATOM 691 NH2 ARG A 47 -10.670 3.879 -17.379 1.00 0.00 N ATOM 0 H ARG A 47 -8.342 5.564 -13.193 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.553 2.879 -12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.059 4.254 -14.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.698 3.151 -14.856 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.219 1.402 -13.730 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.559 2.500 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.854 1.067 -16.062 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.601 1.102 -15.928 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.011 3.575 -16.715 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.055 1.536 -18.808 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.557 2.322 -19.305 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.630 4.477 -16.554 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.441 3.973 -18.041 1.00 0.00 H new ATOM 705 N GLU A 48 -5.434 4.653 -11.632 1.00 0.00 N ATOM 706 CA GLU A 48 -3.999 4.989 -11.431 1.00 0.00 C ATOM 707 C GLU A 48 -3.282 3.778 -10.830 1.00 0.00 C ATOM 708 O GLU A 48 -2.798 3.820 -9.717 1.00 0.00 O ATOM 709 CB GLU A 48 -3.882 6.182 -10.481 1.00 0.00 C ATOM 710 CG GLU A 48 -4.532 7.409 -11.121 1.00 0.00 C ATOM 711 CD GLU A 48 -4.161 8.659 -10.321 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.006 8.543 -9.117 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.038 9.711 -10.926 1.00 0.00 O ATOM 0 H GLU A 48 -6.054 4.927 -10.870 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.543 5.247 -12.387 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.367 5.954 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.834 6.385 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.199 7.513 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.615 7.289 -11.146 1.00 0.00 H new ATOM 720 N THR A 49 -3.217 2.698 -11.559 1.00 0.00 N ATOM 721 CA THR A 49 -2.538 1.480 -11.032 1.00 0.00 C ATOM 722 C THR A 49 -1.054 1.518 -11.406 1.00 0.00 C ATOM 723 O THR A 49 -0.672 2.082 -12.412 1.00 0.00 O ATOM 724 CB THR A 49 -3.186 0.235 -11.646 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.583 -0.040 -12.901 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.683 0.480 -11.839 1.00 0.00 C ATOM 0 H THR A 49 -3.605 2.606 -12.498 1.00 0.00 H new ATOM 0 HA THR A 49 -2.637 1.448 -9.947 1.00 0.00 H new ATOM 0 HB THR A 49 -3.043 -0.616 -10.980 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.995 -0.837 -13.294 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.143 -0.406 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.145 0.691 -10.874 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.830 1.331 -12.505 1.00 0.00 H new ATOM 734 N ARG A 50 -0.217 0.920 -10.602 1.00 0.00 N ATOM 735 CA ARG A 50 1.242 0.920 -10.908 1.00 0.00 C ATOM 736 C ARG A 50 2.024 0.543 -9.649 1.00 0.00 C ATOM 737 O ARG A 50 1.616 0.837 -8.543 1.00 0.00 O ATOM 738 CB ARG A 50 1.668 2.315 -11.374 1.00 0.00 C ATOM 739 CG ARG A 50 0.942 3.376 -10.545 1.00 0.00 C ATOM 740 CD ARG A 50 1.969 4.274 -9.852 1.00 0.00 C ATOM 741 NE ARG A 50 1.373 5.619 -9.615 1.00 0.00 N ATOM 742 CZ ARG A 50 2.123 6.598 -9.188 1.00 0.00 C ATOM 743 NH1 ARG A 50 2.564 6.595 -7.959 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.431 7.581 -9.989 1.00 0.00 N ATOM 0 H ARG A 50 -0.481 0.431 -9.746 1.00 0.00 H new ATOM 0 HA ARG A 50 1.448 0.196 -11.697 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.747 2.431 -11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.436 2.443 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.295 3.974 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.302 2.898 -9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.277 3.829 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.864 4.364 -10.468 1.00 0.00 H new ATOM 0 HE ARG A 50 0.380 5.774 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.322 5.827 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.150 7.360 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.086 7.584 -10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.017 8.346 -9.655 1.00 0.00 H new ATOM 758 N ALA A 51 3.147 -0.106 -9.804 1.00 0.00 N ATOM 759 CA ALA A 51 3.947 -0.498 -8.610 1.00 0.00 C ATOM 760 C ALA A 51 4.101 0.716 -7.684 1.00 0.00 C ATOM 761 O ALA A 51 4.235 1.830 -8.149 1.00 0.00 O ATOM 762 CB ALA A 51 5.326 -0.980 -9.054 1.00 0.00 C ATOM 0 H ALA A 51 3.543 -0.380 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 51 3.439 -1.302 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.910 -1.266 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.216 -1.840 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.838 -0.178 -9.586 1.00 0.00 H new ATOM 768 N PRO A 52 4.058 0.465 -6.399 1.00 0.00 N ATOM 769 CA PRO A 52 4.170 1.521 -5.405 1.00 0.00 C ATOM 770 C PRO A 52 5.634 1.910 -5.159 1.00 0.00 C ATOM 771 O PRO A 52 6.519 1.075 -5.138 1.00 0.00 O ATOM 772 CB PRO A 52 3.583 0.902 -4.144 1.00 0.00 C ATOM 773 CG PRO A 52 3.855 -0.627 -4.321 1.00 0.00 C ATOM 774 CD PRO A 52 3.885 -0.892 -5.856 1.00 0.00 C ATOM 0 HA PRO A 52 3.661 2.432 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.062 1.293 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.517 1.111 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.801 -0.909 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.076 -1.219 -3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.704 -1.552 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.964 -1.358 -6.207 1.00 0.00 H new ATOM 782 N LEU A 53 5.885 3.174 -4.942 1.00 0.00 N ATOM 783 CA LEU A 53 7.274 3.630 -4.657 1.00 0.00 C ATOM 784 C LEU A 53 7.866 2.745 -3.555 1.00 0.00 C ATOM 785 O LEU A 53 7.164 2.303 -2.668 1.00 0.00 O ATOM 786 CB LEU A 53 7.234 5.076 -4.175 1.00 0.00 C ATOM 787 CG LEU A 53 8.276 5.890 -4.936 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.634 5.199 -4.844 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.865 6.007 -6.404 1.00 0.00 C ATOM 0 H LEU A 53 5.182 3.913 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 53 7.885 3.561 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.241 5.497 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.432 5.120 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 53 8.344 6.885 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.377 5.782 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.931 5.118 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.565 4.202 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.611 6.589 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.793 5.012 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.897 6.504 -6.472 1.00 0.00 H new ATOM 801 N VAL A 54 9.143 2.486 -3.592 1.00 0.00 N ATOM 802 CA VAL A 54 9.751 1.635 -2.535 1.00 0.00 C ATOM 803 C VAL A 54 9.599 2.337 -1.186 1.00 0.00 C ATOM 804 O VAL A 54 9.368 1.711 -0.169 1.00 0.00 O ATOM 805 CB VAL A 54 11.233 1.418 -2.845 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.792 0.322 -1.938 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.389 0.991 -4.307 1.00 0.00 C ATOM 0 H VAL A 54 9.788 2.825 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 54 9.250 0.667 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 54 11.778 2.346 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.848 0.169 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.680 0.620 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.247 -0.606 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.445 0.836 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.842 0.063 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.991 1.770 -4.958 1.00 0.00 H new ATOM 817 N GLU A 55 9.715 3.637 -1.171 1.00 0.00 N ATOM 818 CA GLU A 55 9.562 4.382 0.108 1.00 0.00 C ATOM 819 C GLU A 55 8.090 4.363 0.517 1.00 0.00 C ATOM 820 O GLU A 55 7.758 4.426 1.684 1.00 0.00 O ATOM 821 CB GLU A 55 10.025 5.827 -0.081 1.00 0.00 C ATOM 822 CG GLU A 55 9.313 6.437 -1.291 1.00 0.00 C ATOM 823 CD GLU A 55 8.701 7.782 -0.899 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.404 7.958 0.271 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.538 8.615 -1.776 1.00 0.00 O ATOM 0 H GLU A 55 9.909 4.214 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 55 10.167 3.913 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.808 6.410 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.105 5.858 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.018 6.572 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.535 5.762 -1.647 1.00 0.00 H new ATOM 832 N GLU A 56 7.203 4.265 -0.436 1.00 0.00 N ATOM 833 CA GLU A 56 5.754 4.226 -0.101 1.00 0.00 C ATOM 834 C GLU A 56 5.439 2.874 0.535 1.00 0.00 C ATOM 835 O GLU A 56 4.618 2.766 1.424 1.00 0.00 O ATOM 836 CB GLU A 56 4.926 4.401 -1.376 1.00 0.00 C ATOM 837 CG GLU A 56 4.869 5.884 -1.749 1.00 0.00 C ATOM 838 CD GLU A 56 3.511 6.460 -1.346 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.543 6.182 -2.034 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.460 7.168 -0.354 1.00 0.00 O ATOM 0 H GLU A 56 7.421 4.210 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 56 5.509 5.031 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.368 3.827 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.918 4.015 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.670 6.427 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.024 6.006 -2.821 1.00 0.00 H new ATOM 847 N LEU A 57 6.098 1.841 0.086 1.00 0.00 N ATOM 848 CA LEU A 57 5.858 0.491 0.663 1.00 0.00 C ATOM 849 C LEU A 57 6.334 0.481 2.116 1.00 0.00 C ATOM 850 O LEU A 57 5.689 -0.066 2.989 1.00 0.00 O ATOM 851 CB LEU A 57 6.641 -0.548 -0.140 1.00 0.00 C ATOM 852 CG LEU A 57 5.816 -1.828 -0.270 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.363 -2.290 1.116 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.589 -1.555 -1.143 1.00 0.00 C ATOM 0 H LEU A 57 6.795 1.876 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 57 4.795 0.252 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.878 -0.155 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.589 -0.764 0.353 1.00 0.00 H new ATOM 0 HG LEU A 57 6.425 -2.607 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.775 -3.203 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.237 -2.484 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.754 -1.513 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.999 -2.467 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.981 -0.776 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.911 -1.228 -2.132 1.00 0.00 H new ATOM 866 N TYR A 58 7.459 1.089 2.382 1.00 0.00 N ATOM 867 CA TYR A 58 7.976 1.121 3.779 1.00 0.00 C ATOM 868 C TYR A 58 7.088 2.035 4.625 1.00 0.00 C ATOM 869 O TYR A 58 6.882 1.802 5.800 1.00 0.00 O ATOM 870 CB TYR A 58 9.410 1.656 3.780 1.00 0.00 C ATOM 871 CG TYR A 58 10.065 1.339 5.103 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.635 1.982 6.270 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.102 0.400 5.162 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.243 1.687 7.496 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.710 0.106 6.388 1.00 0.00 C ATOM 876 CZ TYR A 58 11.281 0.749 7.555 1.00 0.00 C ATOM 877 OH TYR A 58 11.879 0.457 8.763 1.00 0.00 O ATOM 0 H TYR A 58 8.041 1.564 1.692 1.00 0.00 H new ATOM 0 HA TYR A 58 7.966 0.114 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.977 1.207 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.408 2.733 3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.834 2.705 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.433 -0.097 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.911 2.183 8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.511 -0.617 6.434 1.00 0.00 H new ATOM 0 HH TYR A 58 12.580 -0.215 8.627 1.00 0.00 H new ATOM 887 N ARG A 59 6.557 3.072 4.036 1.00 0.00 N ATOM 888 CA ARG A 59 5.680 3.999 4.804 1.00 0.00 C ATOM 889 C ARG A 59 4.471 3.228 5.336 1.00 0.00 C ATOM 890 O ARG A 59 4.046 3.415 6.459 1.00 0.00 O ATOM 891 CB ARG A 59 5.201 5.126 3.886 1.00 0.00 C ATOM 892 CG ARG A 59 4.715 6.304 4.730 1.00 0.00 C ATOM 893 CD ARG A 59 3.789 7.185 3.891 1.00 0.00 C ATOM 894 NE ARG A 59 3.335 8.347 4.705 1.00 0.00 N ATOM 895 CZ ARG A 59 4.095 9.402 4.816 1.00 0.00 C ATOM 896 NH1 ARG A 59 5.348 9.344 4.456 1.00 0.00 N ATOM 897 NH2 ARG A 59 3.603 10.515 5.287 1.00 0.00 N ATOM 0 H ARG A 59 6.693 3.317 3.055 1.00 0.00 H new ATOM 0 HA ARG A 59 6.239 4.423 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.012 5.445 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.396 4.769 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.188 5.940 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.565 6.886 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.311 7.534 3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.929 6.607 3.552 1.00 0.00 H new ATOM 0 HE ARG A 59 2.430 8.318 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.733 8.474 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.942 10.169 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.624 10.561 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.198 11.339 5.373 1.00 0.00 H new ATOM 911 N PHE A 60 3.917 2.358 4.538 1.00 0.00 N ATOM 912 CA PHE A 60 2.738 1.570 4.994 1.00 0.00 C ATOM 913 C PHE A 60 3.199 0.169 5.400 1.00 0.00 C ATOM 914 O PHE A 60 2.450 -0.786 5.340 1.00 0.00 O ATOM 915 CB PHE A 60 1.720 1.467 3.857 1.00 0.00 C ATOM 916 CG PHE A 60 1.091 2.820 3.620 1.00 0.00 C ATOM 917 CD1 PHE A 60 1.816 3.824 2.968 1.00 0.00 C ATOM 918 CD2 PHE A 60 -0.217 3.069 4.054 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.233 5.078 2.750 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.800 4.323 3.835 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.075 5.327 3.183 1.00 0.00 C ATOM 0 H PHE A 60 4.230 2.158 3.588 1.00 0.00 H new ATOM 0 HA PHE A 60 2.273 2.064 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.209 1.117 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.952 0.736 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.825 3.631 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.776 2.294 4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.792 5.853 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.809 4.515 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.525 6.294 3.014 1.00 0.00 H new ATOM 931 N ARG A 61 4.431 0.042 5.810 1.00 0.00 N ATOM 932 CA ARG A 61 4.950 -1.293 6.220 1.00 0.00 C ATOM 933 C ARG A 61 4.042 -1.890 7.296 1.00 0.00 C ATOM 934 O ARG A 61 3.541 -2.989 7.160 1.00 0.00 O ATOM 935 CB ARG A 61 6.366 -1.137 6.779 1.00 0.00 C ATOM 936 CG ARG A 61 6.983 -2.520 7.004 1.00 0.00 C ATOM 937 CD ARG A 61 8.413 -2.533 6.461 1.00 0.00 C ATOM 938 NE ARG A 61 9.371 -2.309 7.581 1.00 0.00 N ATOM 939 CZ ARG A 61 9.293 -3.036 8.662 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.590 -4.136 8.660 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.916 -2.662 9.747 1.00 0.00 N ATOM 0 H ARG A 61 5.102 0.807 5.879 1.00 0.00 H new ATOM 0 HA ARG A 61 4.968 -1.955 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.980 -0.562 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.339 -0.583 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.984 -2.761 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.386 -3.283 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.621 -3.487 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.533 -1.758 5.705 1.00 0.00 H new ATOM 0 HE ARG A 61 10.088 -1.587 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.101 -4.428 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.529 -4.704 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.464 -1.802 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.855 -3.230 10.592 1.00 0.00 H new ATOM 955 N ASP A 62 3.824 -1.177 8.367 1.00 0.00 N ATOM 956 CA ASP A 62 2.948 -1.706 9.450 1.00 0.00 C ATOM 957 C ASP A 62 1.536 -1.924 8.903 1.00 0.00 C ATOM 958 O ASP A 62 0.743 -2.647 9.473 1.00 0.00 O ATOM 959 CB ASP A 62 2.899 -0.702 10.603 1.00 0.00 C ATOM 960 CG ASP A 62 4.171 -0.827 11.444 1.00 0.00 C ATOM 961 OD1 ASP A 62 5.244 -0.836 10.862 1.00 0.00 O ATOM 962 OD2 ASP A 62 4.052 -0.911 12.655 1.00 0.00 O ATOM 0 H ASP A 62 4.215 -0.251 8.539 1.00 0.00 H new ATOM 0 HA ASP A 62 3.348 -2.654 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.807 0.312 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.021 -0.886 11.223 1.00 0.00 H new ATOM 967 N ARG A 63 1.215 -1.304 7.801 1.00 0.00 N ATOM 968 CA ARG A 63 -0.144 -1.475 7.217 1.00 0.00 C ATOM 969 C ARG A 63 -0.053 -2.326 5.949 1.00 0.00 C ATOM 970 O ARG A 63 -0.842 -2.184 5.037 1.00 0.00 O ATOM 971 CB ARG A 63 -0.724 -0.102 6.867 1.00 0.00 C ATOM 972 CG ARG A 63 -2.123 0.030 7.469 1.00 0.00 C ATOM 973 CD ARG A 63 -2.840 1.225 6.837 1.00 0.00 C ATOM 974 NE ARG A 63 -3.033 2.288 7.862 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.809 3.307 7.609 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.082 3.118 7.394 1.00 0.00 N ATOM 977 NH2 ARG A 63 -3.312 4.513 7.572 1.00 0.00 N ATOM 0 H ARG A 63 1.836 -0.686 7.280 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.790 -1.971 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.076 0.686 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.769 0.020 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.693 -0.883 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.055 0.163 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.257 1.612 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.804 0.913 6.435 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.559 2.220 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.470 2.175 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.689 3.913 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.317 4.660 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.919 5.309 7.374 1.00 0.00 H new ATOM 991 N LEU A 64 0.907 -3.208 5.882 1.00 0.00 N ATOM 992 CA LEU A 64 1.047 -4.063 4.672 1.00 0.00 C ATOM 993 C LEU A 64 0.826 -5.534 5.057 1.00 0.00 C ATOM 994 O LEU A 64 0.829 -5.875 6.223 1.00 0.00 O ATOM 995 CB LEU A 64 2.450 -3.847 4.061 1.00 0.00 C ATOM 996 CG LEU A 64 3.384 -5.026 4.372 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.777 -4.738 3.808 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.483 -5.223 5.885 1.00 0.00 C ATOM 0 H LEU A 64 1.599 -3.372 6.613 1.00 0.00 H new ATOM 0 HA LEU A 64 0.300 -3.792 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.363 -3.724 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.881 -2.926 4.453 1.00 0.00 H new ATOM 0 HG LEU A 64 2.983 -5.930 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.439 -5.575 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.712 -4.602 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.174 -3.831 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.147 -6.060 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.880 -4.318 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.493 -5.431 6.290 1.00 0.00 H new ATOM 1010 N PRO A 65 0.647 -6.361 4.058 1.00 0.00 N ATOM 1011 CA PRO A 65 0.431 -7.785 4.262 1.00 0.00 C ATOM 1012 C PRO A 65 1.738 -8.459 4.696 1.00 0.00 C ATOM 1013 O PRO A 65 2.070 -8.492 5.865 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.017 -8.299 2.898 1.00 0.00 C ATOM 1015 CG PRO A 65 0.617 -7.279 1.903 1.00 0.00 C ATOM 1016 CD PRO A 65 0.645 -5.919 2.655 1.00 0.00 C ATOM 0 HA PRO A 65 -0.302 -7.995 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.337 -9.313 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.104 -8.321 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.622 -7.587 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.029 -7.208 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.530 -5.332 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.223 -5.302 2.420 1.00 0.00 H new ATOM 1024 N GLU A 66 2.484 -8.996 3.767 1.00 0.00 N ATOM 1025 CA GLU A 66 3.761 -9.665 4.132 1.00 0.00 C ATOM 1026 C GLU A 66 4.445 -10.186 2.865 1.00 0.00 C ATOM 1027 O GLU A 66 5.654 -10.202 2.761 1.00 0.00 O ATOM 1028 CB GLU A 66 3.463 -10.834 5.067 1.00 0.00 C ATOM 1029 CG GLU A 66 4.708 -11.160 5.894 1.00 0.00 C ATOM 1030 CD GLU A 66 4.657 -12.623 6.339 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.752 -13.321 5.911 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.522 -13.020 7.102 1.00 0.00 O ATOM 0 H GLU A 66 2.262 -8.999 2.772 1.00 0.00 H new ATOM 0 HA GLU A 66 4.419 -8.954 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.632 -10.583 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.159 -11.707 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.607 -10.979 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.761 -10.506 6.764 1.00 0.00 H new ATOM 1039 N LYS A 67 3.678 -10.608 1.897 1.00 0.00 N ATOM 1040 CA LYS A 67 4.280 -11.135 0.635 1.00 0.00 C ATOM 1041 C LYS A 67 4.841 -9.989 -0.220 1.00 0.00 C ATOM 1042 O LYS A 67 5.179 -10.178 -1.371 1.00 0.00 O ATOM 1043 CB LYS A 67 3.207 -11.880 -0.162 1.00 0.00 C ATOM 1044 CG LYS A 67 3.873 -12.731 -1.245 1.00 0.00 C ATOM 1045 CD LYS A 67 2.891 -12.946 -2.400 1.00 0.00 C ATOM 1046 CE LYS A 67 2.595 -11.606 -3.076 1.00 0.00 C ATOM 1047 NZ LYS A 67 2.557 -11.792 -4.553 1.00 0.00 N ATOM 0 H LYS A 67 2.658 -10.611 1.924 1.00 0.00 H new ATOM 0 HA LYS A 67 5.096 -11.811 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.620 -12.513 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.517 -11.169 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.775 -12.237 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.180 -13.691 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.311 -13.645 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.967 -13.389 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.642 -11.212 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.360 -10.876 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.356 -10.881 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.477 -12.150 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.812 -12.475 -4.798 1.00 0.00 H new ATOM 1061 N LEU A 68 4.944 -8.806 0.321 1.00 0.00 N ATOM 1062 CA LEU A 68 5.485 -7.668 -0.473 1.00 0.00 C ATOM 1063 C LEU A 68 6.526 -6.908 0.362 1.00 0.00 C ATOM 1064 O LEU A 68 7.094 -5.928 -0.080 1.00 0.00 O ATOM 1065 CB LEU A 68 4.326 -6.740 -0.877 1.00 0.00 C ATOM 1066 CG LEU A 68 4.219 -5.574 0.103 1.00 0.00 C ATOM 1067 CD1 LEU A 68 3.085 -4.644 -0.318 1.00 0.00 C ATOM 1068 CD2 LEU A 68 3.944 -6.113 1.507 1.00 0.00 C ATOM 0 H LEU A 68 4.677 -8.579 1.279 1.00 0.00 H new ATOM 0 HA LEU A 68 5.971 -8.038 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.488 -6.362 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.391 -7.299 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 68 5.156 -5.017 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.014 -3.815 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.284 -4.256 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.145 -5.196 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.867 -5.281 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.009 -6.673 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.759 -6.769 1.811 1.00 0.00 H new ATOM 1080 N ARG A 69 6.771 -7.344 1.567 1.00 0.00 N ATOM 1081 CA ARG A 69 7.761 -6.640 2.426 1.00 0.00 C ATOM 1082 C ARG A 69 9.127 -6.625 1.736 1.00 0.00 C ATOM 1083 O ARG A 69 9.755 -5.593 1.606 1.00 0.00 O ATOM 1084 CB ARG A 69 7.867 -7.363 3.767 1.00 0.00 C ATOM 1085 CG ARG A 69 7.632 -6.369 4.905 1.00 0.00 C ATOM 1086 CD ARG A 69 8.977 -5.855 5.420 1.00 0.00 C ATOM 1087 NE ARG A 69 9.893 -7.006 5.656 1.00 0.00 N ATOM 1088 CZ ARG A 69 11.156 -6.796 5.907 1.00 0.00 C ATOM 1089 NH1 ARG A 69 11.504 -6.026 6.903 1.00 0.00 N ATOM 1090 NH2 ARG A 69 12.070 -7.354 5.163 1.00 0.00 N ATOM 0 H ARG A 69 6.328 -8.158 1.993 1.00 0.00 H new ATOM 0 HA ARG A 69 7.436 -5.613 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.134 -8.168 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.851 -7.821 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.023 -5.536 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.081 -6.849 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.417 -5.169 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.834 -5.295 6.344 1.00 0.00 H new ATOM 0 HE ARG A 69 9.532 -7.959 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.789 -5.589 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.491 -5.862 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.798 -7.955 4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.057 -7.190 5.359 1.00 0.00 H new ATOM 1104 N TYR A 70 9.592 -7.758 1.287 1.00 0.00 N ATOM 1105 CA TYR A 70 10.916 -7.796 0.603 1.00 0.00 C ATOM 1106 C TYR A 70 10.979 -6.664 -0.424 1.00 0.00 C ATOM 1107 O TYR A 70 12.040 -6.181 -0.772 1.00 0.00 O ATOM 1108 CB TYR A 70 11.087 -9.141 -0.104 1.00 0.00 C ATOM 1109 CG TYR A 70 9.870 -9.426 -0.950 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.750 -8.850 -2.220 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.863 -10.268 -0.465 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.622 -9.115 -3.005 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.734 -10.533 -1.249 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.613 -9.957 -2.520 1.00 0.00 C ATOM 1115 OH TYR A 70 6.502 -10.218 -3.294 1.00 0.00 O ATOM 0 H TYR A 70 9.115 -8.656 1.363 1.00 0.00 H new ATOM 0 HA TYR A 70 11.714 -7.672 1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.981 -9.124 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.226 -9.934 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.528 -8.201 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.957 -10.713 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.529 -8.670 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.956 -11.182 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 70 5.761 -10.501 -2.718 1.00 0.00 H new ATOM 1125 N LEU A 71 9.845 -6.233 -0.904 1.00 0.00 N ATOM 1126 CA LEU A 71 9.822 -5.127 -1.901 1.00 0.00 C ATOM 1127 C LEU A 71 9.987 -3.794 -1.170 1.00 0.00 C ATOM 1128 O LEU A 71 10.723 -2.927 -1.597 1.00 0.00 O ATOM 1129 CB LEU A 71 8.483 -5.143 -2.643 1.00 0.00 C ATOM 1130 CG LEU A 71 8.688 -5.677 -4.060 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.527 -6.602 -4.429 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.733 -4.502 -5.036 1.00 0.00 C ATOM 0 H LEU A 71 8.929 -6.602 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 71 10.634 -5.255 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.767 -5.767 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.064 -4.137 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 71 9.624 -6.234 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.673 -6.983 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.490 -7.436 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.590 -6.047 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.879 -4.876 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.794 -3.950 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.558 -3.840 -4.771 1.00 0.00 H new ATOM 1144 N ALA A 72 9.313 -3.628 -0.065 1.00 0.00 N ATOM 1145 CA ALA A 72 9.436 -2.356 0.700 1.00 0.00 C ATOM 1146 C ALA A 72 10.854 -2.239 1.260 1.00 0.00 C ATOM 1147 O ALA A 72 11.247 -1.208 1.771 1.00 0.00 O ATOM 1148 CB ALA A 72 8.430 -2.354 1.852 1.00 0.00 C ATOM 0 H ALA A 72 8.682 -4.319 0.341 1.00 0.00 H new ATOM 0 HA ALA A 72 9.233 -1.512 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.520 -1.423 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.419 -2.441 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.633 -3.196 2.513 1.00 0.00 H new ATOM 1154 N ASP A 73 11.628 -3.286 1.167 1.00 0.00 N ATOM 1155 CA ASP A 73 13.020 -3.232 1.692 1.00 0.00 C ATOM 1156 C ASP A 73 13.956 -2.734 0.590 1.00 0.00 C ATOM 1157 O ASP A 73 15.021 -2.211 0.854 1.00 0.00 O ATOM 1158 CB ASP A 73 13.453 -4.630 2.137 1.00 0.00 C ATOM 1159 CG ASP A 73 13.265 -4.766 3.650 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.219 -4.367 4.135 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.169 -5.267 4.297 1.00 0.00 O ATOM 0 H ASP A 73 11.356 -4.176 0.750 1.00 0.00 H new ATOM 0 HA ASP A 73 13.063 -2.553 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.865 -5.387 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.497 -4.800 1.873 1.00 0.00 H new ATOM 1166 N ALA A 74 13.564 -2.890 -0.645 1.00 0.00 N ATOM 1167 CA ALA A 74 14.427 -2.424 -1.765 1.00 0.00 C ATOM 1168 C ALA A 74 14.748 -0.937 -1.575 1.00 0.00 C ATOM 1169 O ALA A 74 14.161 -0.283 -0.736 1.00 0.00 O ATOM 1170 CB ALA A 74 13.688 -2.622 -3.089 1.00 0.00 C ATOM 0 H ALA A 74 12.683 -3.320 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 74 15.354 -2.997 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.317 -2.282 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.457 -3.679 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.762 -2.047 -3.079 1.00 0.00 H new ATOM 1176 N PRO A 75 15.673 -0.447 -2.363 1.00 0.00 N ATOM 1177 CA PRO A 75 16.080 0.949 -2.298 1.00 0.00 C ATOM 1178 C PRO A 75 14.954 1.858 -2.801 1.00 0.00 C ATOM 1179 O PRO A 75 14.264 1.541 -3.751 1.00 0.00 O ATOM 1180 CB PRO A 75 17.299 1.037 -3.212 1.00 0.00 C ATOM 1181 CG PRO A 75 17.112 -0.165 -4.190 1.00 0.00 C ATOM 1182 CD PRO A 75 16.369 -1.259 -3.373 1.00 0.00 C ATOM 0 HA PRO A 75 16.306 1.271 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.332 1.987 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.229 0.955 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.535 0.129 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.074 -0.530 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.675 -1.831 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.058 -1.973 -2.922 1.00 0.00 H new ATOM 1190 N GLN A 76 14.764 2.985 -2.170 1.00 0.00 N ATOM 1191 CA GLN A 76 13.684 3.914 -2.608 1.00 0.00 C ATOM 1192 C GLN A 76 14.308 5.191 -3.174 1.00 0.00 C ATOM 1193 O GLN A 76 13.847 6.282 -2.915 1.00 0.00 O ATOM 1194 CB GLN A 76 12.798 4.267 -1.411 1.00 0.00 C ATOM 1195 CG GLN A 76 13.672 4.464 -0.171 1.00 0.00 C ATOM 1196 CD GLN A 76 12.791 4.845 1.021 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.240 3.987 1.683 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.633 6.105 1.324 1.00 0.00 N ATOM 0 H GLN A 76 15.311 3.302 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 76 13.081 3.432 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.233 5.175 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.072 3.473 -1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.222 3.549 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.411 5.244 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.095 6.825 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.047 6.369 2.116 1.00 0.00 H new ATOM 1207 N GLN A 77 15.344 5.054 -3.957 1.00 0.00 N ATOM 1208 CA GLN A 77 16.008 6.247 -4.559 1.00 0.00 C ATOM 1209 C GLN A 77 17.445 5.875 -4.932 1.00 0.00 C ATOM 1210 O GLN A 77 17.993 4.909 -4.438 1.00 0.00 O ATOM 1211 CB GLN A 77 16.053 7.397 -3.544 1.00 0.00 C ATOM 1212 CG GLN A 77 16.444 6.851 -2.168 1.00 0.00 C ATOM 1213 CD GLN A 77 15.436 7.334 -1.122 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.469 7.991 -1.451 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.624 7.032 0.133 1.00 0.00 N ATOM 0 H GLN A 77 15.763 4.158 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 77 15.447 6.561 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.772 8.151 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.080 7.886 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.467 5.761 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.447 7.186 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.436 6.480 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.959 7.348 0.839 1.00 0.00 H new ATOM 1224 N ASP A 78 18.068 6.639 -5.785 1.00 0.00 N ATOM 1225 CA ASP A 78 19.477 6.330 -6.164 1.00 0.00 C ATOM 1226 C ASP A 78 20.405 7.378 -5.522 1.00 0.00 C ATOM 1227 O ASP A 78 19.938 8.263 -4.832 1.00 0.00 O ATOM 1228 CB ASP A 78 19.607 6.321 -7.698 1.00 0.00 C ATOM 1229 CG ASP A 78 19.871 7.733 -8.226 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.241 8.655 -7.737 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.701 7.867 -9.110 1.00 0.00 O ATOM 0 H ASP A 78 17.666 7.461 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 78 19.765 5.344 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.420 5.658 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.694 5.926 -8.143 1.00 0.00 H new ATOM 1236 N PRO A 79 21.690 7.233 -5.737 1.00 0.00 N ATOM 1237 CA PRO A 79 22.681 8.138 -5.159 1.00 0.00 C ATOM 1238 C PRO A 79 22.312 9.607 -5.406 1.00 0.00 C ATOM 1239 O PRO A 79 22.789 10.495 -4.730 1.00 0.00 O ATOM 1240 CB PRO A 79 23.980 7.777 -5.868 1.00 0.00 C ATOM 1241 CG PRO A 79 23.761 6.287 -6.278 1.00 0.00 C ATOM 1242 CD PRO A 79 22.242 6.161 -6.579 1.00 0.00 C ATOM 0 HA PRO A 79 22.751 8.031 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.154 8.412 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.842 7.891 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.358 6.028 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.060 5.611 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.019 6.312 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.849 5.181 -6.307 1.00 0.00 H new ATOM 1250 N GLU A 80 21.470 9.869 -6.365 1.00 0.00 N ATOM 1251 CA GLU A 80 21.080 11.281 -6.648 1.00 0.00 C ATOM 1252 C GLU A 80 19.848 11.652 -5.816 1.00 0.00 C ATOM 1253 O GLU A 80 19.717 12.766 -5.350 1.00 0.00 O ATOM 1254 CB GLU A 80 20.752 11.429 -8.135 1.00 0.00 C ATOM 1255 CG GLU A 80 20.687 12.914 -8.498 1.00 0.00 C ATOM 1256 CD GLU A 80 22.105 13.481 -8.589 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.021 12.806 -8.148 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.251 14.580 -9.099 1.00 0.00 O ATOM 0 H GLU A 80 21.034 9.169 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 80 21.905 11.943 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.511 10.929 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.800 10.947 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.170 13.044 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.114 13.458 -7.747 1.00 0.00 H new ATOM 1265 N GLY A 81 18.946 10.729 -5.628 1.00 0.00 N ATOM 1266 CA GLY A 81 17.723 11.031 -4.828 1.00 0.00 C ATOM 1267 C GLY A 81 16.509 11.099 -5.756 1.00 0.00 C ATOM 1268 O GLY A 81 15.510 11.717 -5.445 1.00 0.00 O ATOM 0 H GLY A 81 19.002 9.778 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.572 10.262 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.845 11.978 -4.301 1.00 0.00 H new ATOM 1272 N ASN A 82 16.587 10.464 -6.894 1.00 0.00 N ATOM 1273 CA ASN A 82 15.437 10.486 -7.847 1.00 0.00 C ATOM 1274 C ASN A 82 14.344 9.521 -7.373 1.00 0.00 C ATOM 1275 O ASN A 82 13.367 9.294 -8.057 1.00 0.00 O ATOM 1276 CB ASN A 82 15.907 10.066 -9.246 1.00 0.00 C ATOM 1277 CG ASN A 82 16.936 8.937 -9.145 1.00 0.00 C ATOM 1278 OD1 ASN A 82 17.776 8.790 -10.010 1.00 0.00 O ATOM 1279 ND2 ASN A 82 16.911 8.128 -8.122 1.00 0.00 N ATOM 0 H ASN A 82 17.398 9.930 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 82 15.036 11.499 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.054 9.738 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.345 10.921 -9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.595 7.375 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 82 16.207 8.248 -7.394 1.00 0.00 H new ATOM 1286 N LYS A 83 14.506 8.949 -6.208 1.00 0.00 N ATOM 1287 CA LYS A 83 13.486 8.002 -5.688 1.00 0.00 C ATOM 1288 C LYS A 83 13.403 6.777 -6.585 1.00 0.00 C ATOM 1289 O LYS A 83 13.572 6.850 -7.786 1.00 0.00 O ATOM 1290 CB LYS A 83 12.138 8.690 -5.621 1.00 0.00 C ATOM 1291 CG LYS A 83 12.129 9.608 -4.406 1.00 0.00 C ATOM 1292 CD LYS A 83 10.733 9.631 -3.795 1.00 0.00 C ATOM 1293 CE LYS A 83 10.145 11.038 -3.905 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.050 11.198 -2.908 1.00 0.00 N ATOM 0 H LYS A 83 15.307 9.101 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 83 13.774 7.682 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.959 9.263 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.339 7.953 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.854 9.261 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.427 10.616 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.089 8.916 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.778 9.326 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.922 11.783 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.762 11.206 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.194 11.547 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.848 10.280 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.342 11.879 -2.178 1.00 0.00 H new ATOM 1308 N THR A 84 13.148 5.648 -5.998 1.00 0.00 N ATOM 1309 CA THR A 84 13.055 4.393 -6.787 1.00 0.00 C ATOM 1310 C THR A 84 11.759 3.670 -6.433 1.00 0.00 C ATOM 1311 O THR A 84 11.485 3.394 -5.282 1.00 0.00 O ATOM 1312 CB THR A 84 14.257 3.508 -6.457 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.396 4.326 -6.238 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.537 2.566 -7.619 1.00 0.00 C ATOM 0 H THR A 84 12.998 5.538 -4.995 1.00 0.00 H new ATOM 0 HA THR A 84 13.056 4.619 -7.853 1.00 0.00 H new ATOM 0 HB THR A 84 14.040 2.926 -5.561 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.197 3.764 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.395 1.937 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.664 1.937 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.753 3.148 -8.515 1.00 0.00 H new ATOM 1322 N MET A 85 10.955 3.373 -7.413 1.00 0.00 N ATOM 1323 CA MET A 85 9.669 2.677 -7.129 1.00 0.00 C ATOM 1324 C MET A 85 9.772 1.210 -7.539 1.00 0.00 C ATOM 1325 O MET A 85 10.808 0.743 -7.970 1.00 0.00 O ATOM 1326 CB MET A 85 8.526 3.368 -7.891 1.00 0.00 C ATOM 1327 CG MET A 85 8.449 2.846 -9.327 1.00 0.00 C ATOM 1328 SD MET A 85 6.945 3.466 -10.114 1.00 0.00 S ATOM 1329 CE MET A 85 6.052 1.892 -10.123 1.00 0.00 C ATOM 0 H MET A 85 11.131 3.581 -8.396 1.00 0.00 H new ATOM 0 HA MET A 85 9.459 2.727 -6.061 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.580 3.188 -7.381 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.685 4.446 -7.897 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.326 3.167 -9.890 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.451 1.756 -9.330 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.982 2.081 -10.214 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.387 1.289 -10.967 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.248 1.357 -9.194 1.00 0.00 H new ATOM 1339 N VAL A 86 8.704 0.479 -7.402 1.00 0.00 N ATOM 1340 CA VAL A 86 8.736 -0.957 -7.776 1.00 0.00 C ATOM 1341 C VAL A 86 8.348 -1.121 -9.248 1.00 0.00 C ATOM 1342 O VAL A 86 7.663 -0.299 -9.820 1.00 0.00 O ATOM 1343 CB VAL A 86 7.748 -1.727 -6.899 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.631 -3.167 -7.400 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.249 -1.724 -5.454 1.00 0.00 C ATOM 0 H VAL A 86 7.809 0.816 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 86 9.743 -1.347 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 86 6.769 -1.251 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.926 -3.714 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.276 -3.166 -8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.608 -3.649 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.548 -2.272 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.228 -2.201 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.329 -0.697 -5.099 1.00 0.00 H new ATOM 1355 N ARG A 87 8.782 -2.186 -9.858 1.00 0.00 N ATOM 1356 CA ARG A 87 8.443 -2.437 -11.287 1.00 0.00 C ATOM 1357 C ARG A 87 8.234 -3.941 -11.472 1.00 0.00 C ATOM 1358 O ARG A 87 8.275 -4.698 -10.522 1.00 0.00 O ATOM 1359 CB ARG A 87 9.587 -1.971 -12.192 1.00 0.00 C ATOM 1360 CG ARG A 87 10.049 -0.580 -11.764 1.00 0.00 C ATOM 1361 CD ARG A 87 9.062 0.463 -12.291 1.00 0.00 C ATOM 1362 NE ARG A 87 9.802 1.693 -12.691 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.800 2.080 -13.937 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.703 2.539 -14.475 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.892 2.007 -14.645 1.00 0.00 N ATOM 0 H ARG A 87 9.364 -2.902 -9.424 1.00 0.00 H new ATOM 0 HA ARG A 87 7.540 -1.887 -11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.418 -2.674 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.257 -1.951 -13.231 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.111 -0.523 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.048 -0.381 -12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.514 0.062 -13.144 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.326 0.702 -11.524 1.00 0.00 H new ATOM 0 HE ARG A 87 10.310 2.233 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.848 2.595 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.701 2.842 -15.449 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.749 1.647 -14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.889 2.310 -15.619 1.00 0.00 H new ATOM 1379 N PHE A 88 8.022 -4.388 -12.676 1.00 0.00 N ATOM 1380 CA PHE A 88 7.824 -5.849 -12.887 1.00 0.00 C ATOM 1381 C PHE A 88 8.365 -6.257 -14.256 1.00 0.00 C ATOM 1382 O PHE A 88 8.207 -5.557 -15.235 1.00 0.00 O ATOM 1383 CB PHE A 88 6.336 -6.190 -12.814 1.00 0.00 C ATOM 1384 CG PHE A 88 6.162 -7.678 -13.012 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.627 -8.570 -12.039 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.542 -8.164 -14.169 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.472 -9.949 -12.221 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.385 -9.543 -14.351 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.851 -10.435 -13.377 1.00 0.00 C ATOM 0 H PHE A 88 7.977 -3.812 -13.517 1.00 0.00 H new ATOM 0 HA PHE A 88 8.360 -6.390 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.927 -5.888 -11.850 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.786 -5.642 -13.579 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.106 -8.194 -11.147 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.185 -7.476 -14.921 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.831 -10.637 -11.470 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.905 -9.919 -15.242 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.731 -11.499 -13.518 1.00 0.00 H new ATOM 1399 N SER A 89 8.993 -7.397 -14.328 1.00 0.00 N ATOM 1400 CA SER A 89 9.538 -7.870 -15.629 1.00 0.00 C ATOM 1401 C SER A 89 8.921 -9.230 -15.956 1.00 0.00 C ATOM 1402 O SER A 89 8.803 -10.089 -15.102 1.00 0.00 O ATOM 1403 CB SER A 89 11.057 -8.007 -15.529 1.00 0.00 C ATOM 1404 OG SER A 89 11.626 -6.737 -15.246 1.00 0.00 O ATOM 0 H SER A 89 9.152 -8.023 -13.539 1.00 0.00 H new ATOM 0 HA SER A 89 9.296 -7.154 -16.415 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.319 -8.718 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.460 -8.399 -16.463 1.00 0.00 H new ATOM 0 HG SER A 89 11.024 -6.232 -14.661 1.00 0.00 H new ATOM 1410 N ARG A 90 8.524 -9.435 -17.181 1.00 0.00 N ATOM 1411 CA ARG A 90 7.913 -10.741 -17.553 1.00 0.00 C ATOM 1412 C ARG A 90 9.015 -11.702 -17.994 1.00 0.00 C ATOM 1413 O ARG A 90 8.840 -12.903 -17.997 1.00 0.00 O ATOM 1414 CB ARG A 90 6.921 -10.534 -18.700 1.00 0.00 C ATOM 1415 CG ARG A 90 5.528 -10.263 -18.129 1.00 0.00 C ATOM 1416 CD ARG A 90 4.845 -9.166 -18.948 1.00 0.00 C ATOM 1417 NE ARG A 90 3.498 -9.636 -19.381 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.769 -8.891 -20.165 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.273 -8.422 -21.274 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.535 -8.615 -19.841 1.00 0.00 N ATOM 0 H ARG A 90 8.596 -8.756 -17.939 1.00 0.00 H new ATOM 0 HA ARG A 90 7.386 -11.158 -16.695 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.239 -9.698 -19.323 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.898 -11.417 -19.339 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.930 -11.174 -18.152 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.604 -9.958 -17.085 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.751 -8.258 -18.353 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.452 -8.916 -19.818 1.00 0.00 H new ATOM 0 HE ARG A 90 3.147 -10.540 -19.064 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.237 -8.638 -21.528 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.703 -7.839 -21.887 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.141 -8.982 -18.975 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.965 -8.032 -20.454 1.00 0.00 H new ATOM 1434 N LYS A 91 10.155 -11.181 -18.356 1.00 0.00 N ATOM 1435 CA LYS A 91 11.271 -12.069 -18.783 1.00 0.00 C ATOM 1436 C LYS A 91 11.586 -13.044 -17.650 1.00 0.00 C ATOM 1437 O LYS A 91 12.115 -14.117 -17.868 1.00 0.00 O ATOM 1438 CB LYS A 91 12.509 -11.223 -19.087 1.00 0.00 C ATOM 1439 CG LYS A 91 12.404 -10.652 -20.503 1.00 0.00 C ATOM 1440 CD LYS A 91 11.240 -9.662 -20.568 1.00 0.00 C ATOM 1441 CE LYS A 91 11.490 -8.512 -19.590 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.569 -7.228 -20.342 1.00 0.00 N ATOM 0 H LYS A 91 10.361 -10.182 -18.374 1.00 0.00 H new ATOM 0 HA LYS A 91 10.984 -12.621 -19.678 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.596 -10.413 -18.363 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.409 -11.831 -18.995 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.335 -10.154 -20.776 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.251 -11.458 -21.221 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.135 -9.275 -21.581 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.306 -10.166 -20.321 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.688 -8.466 -18.854 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.416 -8.682 -19.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.739 -6.446 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.349 -7.275 -21.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.674 -7.065 -20.846 1.00 0.00 H new ATOM 1456 N THR A 92 11.263 -12.678 -16.440 1.00 0.00 N ATOM 1457 CA THR A 92 11.540 -13.580 -15.288 1.00 0.00 C ATOM 1458 C THR A 92 10.393 -13.489 -14.281 1.00 0.00 C ATOM 1459 O THR A 92 10.479 -14.002 -13.183 1.00 0.00 O ATOM 1460 CB THR A 92 12.845 -13.155 -14.612 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.947 -11.738 -14.635 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.031 -13.766 -15.356 1.00 0.00 C ATOM 0 H THR A 92 10.819 -11.792 -16.200 1.00 0.00 H new ATOM 0 HA THR A 92 11.631 -14.606 -15.644 1.00 0.00 H new ATOM 0 HB THR A 92 12.850 -13.504 -13.579 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.781 -11.463 -14.201 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.959 -13.462 -14.873 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.951 -14.853 -15.337 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.030 -13.420 -16.390 1.00 0.00 H new ATOM 1470 N LYS A 93 9.320 -12.838 -14.642 1.00 0.00 N ATOM 1471 CA LYS A 93 8.173 -12.713 -13.699 1.00 0.00 C ATOM 1472 C LYS A 93 8.700 -12.370 -12.305 1.00 0.00 C ATOM 1473 O LYS A 93 8.538 -13.124 -11.367 1.00 0.00 O ATOM 1474 CB LYS A 93 7.410 -14.039 -13.645 1.00 0.00 C ATOM 1475 CG LYS A 93 6.250 -14.002 -14.642 1.00 0.00 C ATOM 1476 CD LYS A 93 5.166 -14.987 -14.202 1.00 0.00 C ATOM 1477 CE LYS A 93 3.819 -14.265 -14.129 1.00 0.00 C ATOM 1478 NZ LYS A 93 2.749 -15.244 -13.789 1.00 0.00 N ATOM 0 H LYS A 93 9.189 -12.388 -15.548 1.00 0.00 H new ATOM 0 HA LYS A 93 7.503 -11.924 -14.040 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.080 -14.866 -13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.032 -14.212 -12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.839 -12.994 -14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.606 -14.259 -15.640 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.108 -15.818 -14.905 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.417 -15.410 -13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.857 -13.476 -13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.599 -13.786 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.833 -14.754 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.708 -15.981 -14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.958 -15.681 -12.869 1.00 0.00 H new ATOM 1492 N GLN A 94 9.336 -11.238 -12.162 1.00 0.00 N ATOM 1493 CA GLN A 94 9.877 -10.856 -10.826 1.00 0.00 C ATOM 1494 C GLN A 94 9.643 -9.364 -10.577 1.00 0.00 C ATOM 1495 O GLN A 94 9.137 -8.655 -11.424 1.00 0.00 O ATOM 1496 CB GLN A 94 11.379 -11.150 -10.781 1.00 0.00 C ATOM 1497 CG GLN A 94 11.604 -12.662 -10.711 1.00 0.00 C ATOM 1498 CD GLN A 94 12.988 -13.003 -11.271 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.247 -14.135 -11.629 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.896 -12.069 -11.360 1.00 0.00 N ATOM 0 H GLN A 94 9.504 -10.564 -12.909 1.00 0.00 H new ATOM 0 HA GLN A 94 9.367 -11.433 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.867 -10.740 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.829 -10.665 -9.915 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.524 -13.004 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.833 -13.181 -11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.681 -11.118 -11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.821 -12.290 -11.729 1.00 0.00 H new ATOM 1509 N GLN A 95 10.009 -8.882 -9.418 1.00 0.00 N ATOM 1510 CA GLN A 95 9.808 -7.437 -9.112 1.00 0.00 C ATOM 1511 C GLN A 95 11.157 -6.713 -9.132 1.00 0.00 C ATOM 1512 O GLN A 95 12.091 -7.102 -8.462 1.00 0.00 O ATOM 1513 CB GLN A 95 9.178 -7.288 -7.724 1.00 0.00 C ATOM 1514 CG GLN A 95 8.155 -6.151 -7.748 1.00 0.00 C ATOM 1515 CD GLN A 95 6.892 -6.616 -8.476 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.896 -7.640 -9.130 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.805 -5.901 -8.388 1.00 0.00 N ATOM 0 H GLN A 95 10.438 -9.428 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 95 9.148 -7.001 -9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.695 -8.220 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.950 -7.081 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.910 -5.847 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.576 -5.279 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.803 -5.042 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.957 -6.201 -8.868 1.00 0.00 H new ATOM 1526 N TYR A 96 11.258 -5.655 -9.888 1.00 0.00 N ATOM 1527 CA TYR A 96 12.539 -4.895 -9.945 1.00 0.00 C ATOM 1528 C TYR A 96 12.239 -3.408 -9.735 1.00 0.00 C ATOM 1529 O TYR A 96 11.281 -2.886 -10.258 1.00 0.00 O ATOM 1530 CB TYR A 96 13.206 -5.113 -11.309 1.00 0.00 C ATOM 1531 CG TYR A 96 12.505 -4.293 -12.367 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.887 -2.965 -12.589 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.477 -4.861 -13.129 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.242 -2.205 -13.572 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.832 -4.102 -14.111 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.214 -2.774 -14.334 1.00 0.00 C ATOM 1537 OH TYR A 96 10.579 -2.025 -15.303 1.00 0.00 O ATOM 0 H TYR A 96 10.507 -5.283 -10.470 1.00 0.00 H new ATOM 0 HA TYR A 96 13.217 -5.243 -9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.258 -4.831 -11.257 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.172 -6.170 -11.575 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.680 -2.526 -12.002 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.182 -5.886 -12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.537 -1.180 -13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.039 -4.541 -14.698 1.00 0.00 H new ATOM 0 HH TYR A 96 9.891 -2.570 -15.740 1.00 0.00 H new ATOM 1547 N VAL A 97 13.039 -2.721 -8.969 1.00 0.00 N ATOM 1548 CA VAL A 97 12.770 -1.271 -8.730 1.00 0.00 C ATOM 1549 C VAL A 97 13.462 -0.432 -9.800 1.00 0.00 C ATOM 1550 O VAL A 97 14.317 -0.903 -10.523 1.00 0.00 O ATOM 1551 CB VAL A 97 13.302 -0.862 -7.355 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.303 -1.267 -6.275 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.642 -1.553 -7.093 1.00 0.00 C ATOM 0 H VAL A 97 13.863 -3.095 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 97 11.694 -1.103 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 97 13.441 0.219 -7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.685 -0.974 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.350 -0.770 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.159 -2.347 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.017 -1.259 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.505 -2.634 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.359 -1.259 -7.859 1.00 0.00 H new ATOM 1563 N SER A 98 13.095 0.815 -9.901 1.00 0.00 N ATOM 1564 CA SER A 98 13.726 1.700 -10.918 1.00 0.00 C ATOM 1565 C SER A 98 13.731 3.142 -10.402 1.00 0.00 C ATOM 1566 O SER A 98 12.697 3.717 -10.121 1.00 0.00 O ATOM 1567 CB SER A 98 12.934 1.621 -12.222 1.00 0.00 C ATOM 1568 OG SER A 98 13.613 0.766 -13.133 1.00 0.00 O ATOM 0 H SER A 98 12.383 1.260 -9.321 1.00 0.00 H new ATOM 0 HA SER A 98 14.751 1.378 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.930 1.242 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.822 2.616 -12.654 1.00 0.00 H new ATOM 0 HG SER A 98 14.526 1.094 -13.270 1.00 0.00 H new ATOM 1574 N SER A 99 14.891 3.727 -10.274 1.00 0.00 N ATOM 1575 CA SER A 99 14.973 5.129 -9.777 1.00 0.00 C ATOM 1576 C SER A 99 14.603 6.087 -10.911 1.00 0.00 C ATOM 1577 O SER A 99 15.205 6.073 -11.967 1.00 0.00 O ATOM 1578 CB SER A 99 16.394 5.424 -9.300 1.00 0.00 C ATOM 1579 OG SER A 99 17.045 4.203 -8.974 1.00 0.00 O ATOM 0 H SER A 99 15.788 3.293 -10.493 1.00 0.00 H new ATOM 0 HA SER A 99 14.282 5.262 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.949 5.949 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.369 6.079 -8.429 1.00 0.00 H new ATOM 0 HG SER A 99 18.011 4.300 -9.111 1.00 0.00 H new ATOM 1585 N GLU A 100 13.617 6.914 -10.708 1.00 0.00 N ATOM 1586 CA GLU A 100 13.212 7.865 -11.781 1.00 0.00 C ATOM 1587 C GLU A 100 13.253 9.296 -11.244 1.00 0.00 C ATOM 1588 O GLU A 100 12.609 9.623 -10.267 1.00 0.00 O ATOM 1589 CB GLU A 100 11.792 7.536 -12.245 1.00 0.00 C ATOM 1590 CG GLU A 100 11.615 7.972 -13.701 1.00 0.00 C ATOM 1591 CD GLU A 100 10.369 8.850 -13.824 1.00 0.00 C ATOM 1592 OE1 GLU A 100 10.199 9.723 -12.989 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.606 8.636 -14.752 1.00 0.00 O ATOM 0 H GLU A 100 13.074 6.973 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 100 13.901 7.775 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.606 6.466 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.065 8.044 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.494 8.522 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.521 7.097 -14.345 1.00 0.00 H new ATOM 1600 N LYS A 101 14.007 10.154 -11.876 1.00 0.00 N ATOM 1601 CA LYS A 101 14.089 11.564 -11.405 1.00 0.00 C ATOM 1602 C LYS A 101 12.710 12.214 -11.465 1.00 0.00 C ATOM 1603 O LYS A 101 11.700 11.549 -11.577 1.00 0.00 O ATOM 1604 CB LYS A 101 15.058 12.338 -12.280 1.00 0.00 C ATOM 1605 CG LYS A 101 16.170 12.864 -11.383 1.00 0.00 C ATOM 1606 CD LYS A 101 16.519 14.290 -11.788 1.00 0.00 C ATOM 1607 CE LYS A 101 17.968 14.347 -12.273 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.653 15.517 -11.653 1.00 0.00 N ATOM 0 H LYS A 101 14.570 9.938 -12.699 1.00 0.00 H new ATOM 0 HA LYS A 101 14.443 11.576 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.467 11.695 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.548 13.161 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.853 12.838 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 101 17.050 12.226 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.848 14.629 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.382 14.963 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.488 13.426 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.996 14.429 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.639 15.557 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.161 16.392 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.638 15.420 -10.618 1.00 0.00 H new ATOM 1622 N ASP A 102 12.663 13.514 -11.387 1.00 0.00 N ATOM 1623 CA ASP A 102 11.350 14.219 -11.435 1.00 0.00 C ATOM 1624 C ASP A 102 10.557 13.761 -12.658 1.00 0.00 C ATOM 1625 O ASP A 102 9.353 13.909 -12.722 1.00 0.00 O ATOM 1626 CB ASP A 102 11.583 15.730 -11.512 1.00 0.00 C ATOM 1627 CG ASP A 102 10.337 16.465 -11.018 1.00 0.00 C ATOM 1628 OD1 ASP A 102 9.332 15.808 -10.802 1.00 0.00 O ATOM 1629 OD2 ASP A 102 10.408 17.673 -10.862 1.00 0.00 O ATOM 0 H ASP A 102 13.478 14.121 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 102 10.784 13.983 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.446 16.007 -10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.807 16.022 -12.538 1.00 0.00 H new ATOM 1634 N GLY A 103 11.221 13.203 -13.626 1.00 0.00 N ATOM 1635 CA GLY A 103 10.505 12.731 -14.846 1.00 0.00 C ATOM 1636 C GLY A 103 11.495 12.588 -16.005 1.00 0.00 C ATOM 1637 O GLY A 103 11.304 13.145 -17.068 1.00 0.00 O ATOM 0 H GLY A 103 12.230 13.052 -13.629 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.022 11.774 -14.648 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.718 13.436 -15.113 1.00 0.00 H new ATOM 1641 N LYS A 104 12.550 11.844 -15.811 1.00 0.00 N ATOM 1642 CA LYS A 104 13.546 11.668 -16.905 1.00 0.00 C ATOM 1643 C LYS A 104 14.031 10.216 -16.931 1.00 0.00 C ATOM 1644 O LYS A 104 14.953 9.873 -17.643 1.00 0.00 O ATOM 1645 CB LYS A 104 14.735 12.599 -16.669 1.00 0.00 C ATOM 1646 CG LYS A 104 15.125 12.566 -15.191 1.00 0.00 C ATOM 1647 CD LYS A 104 16.376 13.419 -14.977 1.00 0.00 C ATOM 1648 CE LYS A 104 15.981 14.894 -14.899 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.236 15.548 -16.214 1.00 0.00 N ATOM 0 H LYS A 104 12.765 11.352 -14.944 1.00 0.00 H new ATOM 0 HA LYS A 104 13.079 11.910 -17.860 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.579 12.291 -17.286 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.478 13.616 -16.965 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.306 12.942 -14.579 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.313 11.540 -14.876 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.882 13.118 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.080 13.263 -15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.928 14.986 -14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.552 15.393 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.157 16.030 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.242 14.828 -16.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.487 16.243 -16.407 1.00 0.00 H new ATOM 1663 N ALA A 105 13.416 9.360 -16.159 1.00 0.00 N ATOM 1664 CA ALA A 105 13.841 7.931 -16.140 1.00 0.00 C ATOM 1665 C ALA A 105 15.370 7.853 -16.116 1.00 0.00 C ATOM 1666 O ALA A 105 15.998 7.506 -17.096 1.00 0.00 O ATOM 1667 CB ALA A 105 13.314 7.225 -17.391 1.00 0.00 C ATOM 0 H ALA A 105 12.638 9.589 -15.541 1.00 0.00 H new ATOM 0 HA ALA A 105 13.438 7.445 -15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.625 6.180 -17.377 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.226 7.280 -17.408 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.716 7.711 -18.280 1.00 0.00 H new ATOM 1673 N THR A 106 15.972 8.173 -15.004 1.00 0.00 N ATOM 1674 CA THR A 106 17.459 8.117 -14.919 1.00 0.00 C ATOM 1675 C THR A 106 17.959 6.818 -15.556 1.00 0.00 C ATOM 1676 O THR A 106 19.058 6.751 -16.070 1.00 0.00 O ATOM 1677 CB THR A 106 17.887 8.164 -13.450 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.923 7.488 -12.655 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.997 9.620 -12.995 1.00 0.00 C ATOM 0 H THR A 106 15.499 8.471 -14.151 1.00 0.00 H new ATOM 0 HA THR A 106 17.886 8.968 -15.450 1.00 0.00 H new ATOM 0 HB THR A 106 18.856 7.677 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.650 6.661 -13.104 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.302 9.652 -11.949 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.738 10.137 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.030 10.110 -13.106 1.00 0.00 H new ATOM 1687 N GLY A 107 17.162 5.785 -15.528 1.00 0.00 N ATOM 1688 CA GLY A 107 17.593 4.493 -16.133 1.00 0.00 C ATOM 1689 C GLY A 107 17.917 3.490 -15.026 1.00 0.00 C ATOM 1690 O GLY A 107 18.077 2.310 -15.270 1.00 0.00 O ATOM 0 H GLY A 107 16.231 5.780 -15.112 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.804 4.100 -16.774 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.468 4.649 -16.763 1.00 0.00 H new ATOM 1694 N TRP A 108 18.014 3.948 -13.808 1.00 0.00 N ATOM 1695 CA TRP A 108 18.327 3.021 -12.686 1.00 0.00 C ATOM 1696 C TRP A 108 17.253 1.935 -12.607 1.00 0.00 C ATOM 1697 O TRP A 108 16.078 2.197 -12.766 1.00 0.00 O ATOM 1698 CB TRP A 108 18.356 3.804 -11.373 1.00 0.00 C ATOM 1699 CG TRP A 108 19.169 3.061 -10.361 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.516 3.129 -10.253 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.721 2.144 -9.316 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.924 2.317 -9.212 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.856 1.688 -8.604 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.456 1.667 -8.919 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.741 0.793 -7.539 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.339 0.767 -7.848 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.479 0.332 -7.160 1.00 0.00 C ATOM 0 H TRP A 108 17.890 4.925 -13.542 1.00 0.00 H new ATOM 0 HA TRP A 108 19.299 2.559 -12.857 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.780 4.794 -11.538 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.341 3.950 -11.003 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.167 3.722 -10.879 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.896 2.197 -8.927 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.570 1.996 -9.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.623 0.459 -7.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.364 0.408 -7.553 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.382 -0.360 -6.336 1.00 0.00 H new ATOM 1718 N SER A 109 17.648 0.717 -12.359 1.00 0.00 N ATOM 1719 CA SER A 109 16.652 -0.387 -12.268 1.00 0.00 C ATOM 1720 C SER A 109 17.251 -1.549 -11.472 1.00 0.00 C ATOM 1721 O SER A 109 18.025 -2.332 -11.989 1.00 0.00 O ATOM 1722 CB SER A 109 16.292 -0.865 -13.675 1.00 0.00 C ATOM 1723 OG SER A 109 17.375 -1.618 -14.205 1.00 0.00 O ATOM 0 H SER A 109 18.619 0.438 -12.215 1.00 0.00 H new ATOM 0 HA SER A 109 15.754 -0.027 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.390 -1.476 -13.645 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.078 -0.011 -14.318 1.00 0.00 H new ATOM 0 HG SER A 109 17.512 -2.422 -13.661 1.00 0.00 H new ATOM 1729 N ALA A 110 16.905 -1.670 -10.219 1.00 0.00 N ATOM 1730 CA ALA A 110 17.461 -2.783 -9.398 1.00 0.00 C ATOM 1731 C ALA A 110 16.548 -4.004 -9.513 1.00 0.00 C ATOM 1732 O ALA A 110 15.364 -3.884 -9.754 1.00 0.00 O ATOM 1733 CB ALA A 110 17.547 -2.347 -7.934 1.00 0.00 C ATOM 0 H ALA A 110 16.262 -1.047 -9.729 1.00 0.00 H new ATOM 0 HA ALA A 110 18.458 -3.037 -9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.954 -3.162 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.197 -1.476 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.551 -2.092 -7.571 1.00 0.00 H new ATOM 1739 N PHE A 111 17.089 -5.180 -9.348 1.00 0.00 N ATOM 1740 CA PHE A 111 16.249 -6.408 -9.456 1.00 0.00 C ATOM 1741 C PHE A 111 16.290 -7.188 -8.143 1.00 0.00 C ATOM 1742 O PHE A 111 17.329 -7.364 -7.544 1.00 0.00 O ATOM 1743 CB PHE A 111 16.780 -7.299 -10.582 1.00 0.00 C ATOM 1744 CG PHE A 111 16.931 -6.491 -11.845 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.008 -5.608 -11.984 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.000 -6.630 -12.880 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.153 -4.862 -13.158 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.144 -5.883 -14.054 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.222 -5.000 -14.192 1.00 0.00 C ATOM 0 H PHE A 111 18.075 -5.344 -9.143 1.00 0.00 H new ATOM 0 HA PHE A 111 15.222 -6.113 -9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.741 -7.727 -10.297 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.097 -8.132 -10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.727 -5.503 -11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.171 -7.314 -12.773 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.983 -4.180 -13.266 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.425 -5.987 -14.853 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.335 -4.424 -15.099 1.00 0.00 H new ATOM 1759 N TYR A 112 15.163 -7.668 -7.698 1.00 0.00 N ATOM 1760 CA TYR A 112 15.135 -8.447 -6.430 1.00 0.00 C ATOM 1761 C TYR A 112 15.383 -9.924 -6.738 1.00 0.00 C ATOM 1762 O TYR A 112 14.508 -10.622 -7.210 1.00 0.00 O ATOM 1763 CB TYR A 112 13.765 -8.293 -5.768 1.00 0.00 C ATOM 1764 CG TYR A 112 13.819 -8.841 -4.364 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.882 -8.502 -3.520 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.804 -9.690 -3.905 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.931 -9.009 -2.217 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.852 -10.197 -2.602 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.917 -9.857 -1.757 1.00 0.00 C ATOM 1770 OH TYR A 112 13.964 -10.357 -0.473 1.00 0.00 O ATOM 0 H TYR A 112 14.260 -7.554 -8.158 1.00 0.00 H new ATOM 0 HA TYR A 112 15.909 -8.077 -5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.475 -7.242 -5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.008 -8.822 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.665 -7.848 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.984 -9.953 -4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.752 -8.746 -1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.068 -10.850 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 112 14.618 -9.849 0.052 1.00 0.00 H new ATOM 1780 N VAL A 113 16.563 -10.413 -6.470 1.00 0.00 N ATOM 1781 CA VAL A 113 16.845 -11.842 -6.745 1.00 0.00 C ATOM 1782 C VAL A 113 16.486 -12.647 -5.496 1.00 0.00 C ATOM 1783 O VAL A 113 15.557 -12.317 -4.794 1.00 0.00 O ATOM 1784 CB VAL A 113 18.325 -12.021 -7.096 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.501 -13.300 -7.915 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.807 -10.828 -7.931 1.00 0.00 C ATOM 0 H VAL A 113 17.339 -9.883 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 113 16.253 -12.193 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 113 18.906 -12.084 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.554 -13.429 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.159 -14.155 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.916 -13.228 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.860 -10.959 -8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.223 -10.767 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.680 -9.909 -7.359 1.00 0.00 H new ATOM 1796 N ASP A 114 17.225 -13.671 -5.185 1.00 0.00 N ATOM 1797 CA ASP A 114 16.913 -14.465 -3.960 1.00 0.00 C ATOM 1798 C ASP A 114 17.225 -13.578 -2.776 1.00 0.00 C ATOM 1799 O ASP A 114 18.330 -13.576 -2.271 1.00 0.00 O ATOM 1800 CB ASP A 114 17.783 -15.723 -3.916 1.00 0.00 C ATOM 1801 CG ASP A 114 16.981 -16.879 -3.318 1.00 0.00 C ATOM 1802 OD1 ASP A 114 15.813 -16.676 -3.027 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.547 -17.948 -3.160 1.00 0.00 O ATOM 0 H ASP A 114 18.030 -13.995 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 114 15.869 -14.779 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.119 -15.981 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.676 -15.539 -3.319 1.00 0.00 H new ATOM 1808 N GLY A 115 16.289 -12.762 -2.366 1.00 0.00 N ATOM 1809 CA GLY A 115 16.599 -11.819 -1.266 1.00 0.00 C ATOM 1810 C GLY A 115 17.902 -11.141 -1.672 1.00 0.00 C ATOM 1811 O GLY A 115 18.700 -10.735 -0.850 1.00 0.00 O ATOM 0 H GLY A 115 15.342 -12.712 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.800 -11.089 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.708 -12.344 -0.317 1.00 0.00 H new ATOM 1815 N LYS A 116 18.136 -11.073 -2.966 1.00 0.00 N ATOM 1816 CA LYS A 116 19.407 -10.487 -3.463 1.00 0.00 C ATOM 1817 C LYS A 116 19.144 -9.313 -4.409 1.00 0.00 C ATOM 1818 O LYS A 116 19.429 -9.392 -5.586 1.00 0.00 O ATOM 1819 CB LYS A 116 20.188 -11.563 -4.217 1.00 0.00 C ATOM 1820 CG LYS A 116 21.443 -11.935 -3.424 1.00 0.00 C ATOM 1821 CD LYS A 116 21.041 -12.413 -2.027 1.00 0.00 C ATOM 1822 CE LYS A 116 21.882 -11.684 -0.977 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.610 -12.681 -0.144 1.00 0.00 N ATOM 0 H LYS A 116 17.497 -11.400 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 116 19.976 -10.122 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.564 -12.444 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.465 -11.200 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.995 -12.718 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.107 -11.074 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.982 -12.222 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.188 -13.490 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.591 -11.014 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.241 -11.067 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.182 -12.186 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.925 -13.303 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.232 -13.252 -0.751 1.00 0.00 H new ATOM 1837 N TRP A 117 18.628 -8.219 -3.919 1.00 0.00 N ATOM 1838 CA TRP A 117 18.393 -7.063 -4.828 1.00 0.00 C ATOM 1839 C TRP A 117 19.656 -6.836 -5.664 1.00 0.00 C ATOM 1840 O TRP A 117 20.724 -7.308 -5.326 1.00 0.00 O ATOM 1841 CB TRP A 117 18.097 -5.808 -4.008 1.00 0.00 C ATOM 1842 CG TRP A 117 16.631 -5.722 -3.730 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.068 -5.884 -2.510 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.535 -5.452 -4.655 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.700 -5.733 -2.625 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.321 -5.462 -3.925 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.471 -5.200 -6.041 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.092 -5.229 -4.545 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.238 -4.966 -6.664 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.050 -4.980 -5.919 1.00 0.00 C ATOM 0 H TRP A 117 18.363 -8.077 -2.944 1.00 0.00 H new ATOM 0 HA TRP A 117 17.542 -7.272 -5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.654 -5.834 -3.071 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.427 -4.922 -4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.602 -6.097 -1.595 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.048 -5.812 -1.844 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.379 -5.187 -6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.180 -5.241 -3.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.202 -4.773 -7.726 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.104 -4.799 -6.407 1.00 0.00 H new ATOM 1861 N VAL A 118 19.550 -6.125 -6.750 1.00 0.00 N ATOM 1862 CA VAL A 118 20.753 -5.881 -7.598 1.00 0.00 C ATOM 1863 C VAL A 118 20.611 -4.532 -8.303 1.00 0.00 C ATOM 1864 O VAL A 118 19.594 -3.875 -8.208 1.00 0.00 O ATOM 1865 CB VAL A 118 20.889 -6.994 -8.648 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.886 -8.041 -8.159 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.538 -7.670 -8.874 1.00 0.00 C ATOM 0 H VAL A 118 18.686 -5.702 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 118 21.641 -5.875 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 118 21.238 -6.553 -9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.981 -8.830 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.857 -7.572 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.533 -8.470 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.645 -8.457 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.187 -8.103 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.817 -6.933 -9.226 1.00 0.00 H new ATOM 1877 N GLU A 119 21.625 -4.111 -9.009 1.00 0.00 N ATOM 1878 CA GLU A 119 21.546 -2.802 -9.717 1.00 0.00 C ATOM 1879 C GLU A 119 21.996 -2.980 -11.169 1.00 0.00 C ATOM 1880 O GLU A 119 23.173 -2.968 -11.470 1.00 0.00 O ATOM 1881 CB GLU A 119 22.457 -1.790 -9.020 1.00 0.00 C ATOM 1882 CG GLU A 119 21.963 -1.559 -7.590 1.00 0.00 C ATOM 1883 CD GLU A 119 22.626 -2.569 -6.651 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.206 -3.520 -7.150 1.00 0.00 O ATOM 1885 OE2 GLU A 119 22.542 -2.375 -5.449 1.00 0.00 O ATOM 0 H GLU A 119 22.503 -4.616 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 119 20.518 -2.439 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.483 -2.157 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.462 -0.849 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.198 -0.543 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.879 -1.664 -7.547 1.00 0.00 H new ATOM 1892 N GLY A 120 21.067 -3.144 -12.071 1.00 0.00 N ATOM 1893 CA GLY A 120 21.443 -3.323 -13.502 1.00 0.00 C ATOM 1894 C GLY A 120 21.379 -1.973 -14.219 1.00 0.00 C ATOM 1895 O GLY A 120 20.316 -1.433 -14.453 1.00 0.00 O ATOM 0 H GLY A 120 20.065 -3.162 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.448 -3.739 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.768 -4.033 -13.980 1.00 0.00 H new