USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 134:sc= 1.08 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.22! C(o=-1.1!,f=-7.9!) USER MOD Set 2.1: A 84 THR OG1 : rot -96:sc= -4.81! USER MOD Set 2.2: A 99 SER OG : rot -165:sc= -2! USER MOD Set 3.1: A 82 ASN : amide:sc= -7.91! C(o=-7.9!,f=-15!) USER MOD Set 3.2: A 106 THR OG1 : rot -130:sc= 0.0149 USER MOD Set 4.1: A 23 SER OG : rot 100:sc= -1.74! USER MOD Set 4.2: A 45 LYS NZ :NH3+ -141:sc= 0.239 (180deg=0) USER MOD Set 5.1: A 26 TYR OH : rot -56:sc= 1.14 USER MOD Set 5.2: A 41 ASN : amide:sc= -1.94 K(o=-0.8,f=-5.5!) USER MOD Single : A 20 CYS SG : rot 157:sc= -13.9! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= -3.2! USER MOD Single : A 46 SER OG : rot 152:sc= -6.6! USER MOD Single : A 49 THR OG1 : rot 88:sc= -0.0193! 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 40:sc= 0.832 USER MOD Single : A 76 GLN : amide:sc= -0.617 K(o=-0.62,f=-4.2!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 154:sc= -9.56! (180deg=-12.6!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.192 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -1.42! (180deg=-1.51!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -8.58! C(o=-8.6!,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 58:sc= 0.0172 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -122:sc= -1.26 (180deg=-4.47!) USER MOD Single : A 109 SER OG : rot 63:sc= 1.04 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.42! USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.29 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.415 -6.798 -2.304 1.00 0.00 N ATOM 160 CA PRO A 12 -5.963 -6.671 -2.257 1.00 0.00 C ATOM 161 C PRO A 12 -5.549 -5.961 -0.965 1.00 0.00 C ATOM 162 O PRO A 12 -6.124 -6.170 0.084 1.00 0.00 O ATOM 163 CB PRO A 12 -5.611 -5.802 -3.463 1.00 0.00 C ATOM 164 CG PRO A 12 -6.838 -5.956 -4.410 1.00 0.00 C ATOM 165 CD PRO A 12 -8.057 -6.187 -3.478 1.00 0.00 C ATOM 0 HA PRO A 12 -5.458 -7.636 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.458 -4.762 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.692 -6.139 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.976 -5.064 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.703 -6.794 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.566 -5.256 -3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.800 -6.845 -3.929 1.00 0.00 H new ATOM 173 N VAL A 13 -4.567 -5.105 -1.040 1.00 0.00 N ATOM 174 CA VAL A 13 -4.130 -4.361 0.172 1.00 0.00 C ATOM 175 C VAL A 13 -4.695 -2.944 0.097 1.00 0.00 C ATOM 176 O VAL A 13 -4.108 -2.084 -0.523 1.00 0.00 O ATOM 177 CB VAL A 13 -2.600 -4.299 0.219 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.137 -4.240 1.675 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.013 -5.545 -0.449 1.00 0.00 C ATOM 0 H VAL A 13 -4.048 -4.889 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.491 -4.865 1.069 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.259 -3.409 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.048 -4.196 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.551 -3.352 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.481 -5.130 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.925 -5.498 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.355 -6.436 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.341 -5.590 -1.488 1.00 0.00 H new ATOM 189 N PRO A 14 -5.826 -2.736 0.724 1.00 0.00 N ATOM 190 CA PRO A 14 -6.466 -1.433 0.715 1.00 0.00 C ATOM 191 C PRO A 14 -5.573 -0.423 1.426 1.00 0.00 C ATOM 192 O PRO A 14 -5.124 -0.656 2.531 1.00 0.00 O ATOM 193 CB PRO A 14 -7.784 -1.639 1.457 1.00 0.00 C ATOM 194 CG PRO A 14 -7.527 -2.915 2.316 1.00 0.00 C ATOM 195 CD PRO A 14 -6.525 -3.775 1.494 1.00 0.00 C ATOM 0 HA PRO A 14 -6.637 -1.046 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.032 -0.780 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.615 -1.782 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.114 -2.655 3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.454 -3.459 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.847 -4.341 2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.031 -4.495 0.850 1.00 0.00 H new ATOM 203 N LEU A 15 -5.291 0.694 0.804 1.00 0.00 N ATOM 204 CA LEU A 15 -4.411 1.692 1.470 1.00 0.00 C ATOM 205 C LEU A 15 -5.160 3.007 1.745 1.00 0.00 C ATOM 206 O LEU A 15 -4.666 4.066 1.431 1.00 0.00 O ATOM 207 CB LEU A 15 -3.191 1.963 0.587 1.00 0.00 C ATOM 208 CG LEU A 15 -2.380 0.672 0.449 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.756 0.594 -0.944 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.272 0.654 1.501 1.00 0.00 C ATOM 0 H LEU A 15 -5.628 0.953 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.092 1.283 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.507 2.316 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.576 2.749 1.025 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.041 -0.183 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.181 -0.327 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.544 0.605 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.097 1.449 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.693 -0.265 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.617 1.513 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.714 0.701 2.496 1.00 0.00 H new ATOM 222 N PRO A 16 -6.312 2.902 2.362 1.00 0.00 N ATOM 223 CA PRO A 16 -7.099 4.061 2.740 1.00 0.00 C ATOM 224 C PRO A 16 -6.191 5.213 3.198 1.00 0.00 C ATOM 225 O PRO A 16 -6.397 6.353 2.834 1.00 0.00 O ATOM 226 CB PRO A 16 -7.964 3.560 3.887 1.00 0.00 C ATOM 227 CG PRO A 16 -8.104 2.023 3.615 1.00 0.00 C ATOM 228 CD PRO A 16 -6.911 1.614 2.697 1.00 0.00 C ATOM 0 HA PRO A 16 -7.689 4.456 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.497 3.753 4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.936 4.053 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.082 1.462 4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.056 1.801 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.207 0.961 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.248 1.080 1.808 1.00 0.00 H new ATOM 236 N GLU A 17 -5.190 4.926 3.992 1.00 0.00 N ATOM 237 CA GLU A 17 -4.276 6.012 4.463 1.00 0.00 C ATOM 238 C GLU A 17 -3.935 6.926 3.285 1.00 0.00 C ATOM 239 O GLU A 17 -4.069 8.132 3.356 1.00 0.00 O ATOM 240 CB GLU A 17 -2.992 5.393 5.019 1.00 0.00 C ATOM 241 CG GLU A 17 -2.592 6.117 6.306 1.00 0.00 C ATOM 242 CD GLU A 17 -1.750 5.184 7.178 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.787 4.636 6.666 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.082 5.034 8.342 1.00 0.00 O ATOM 0 H GLU A 17 -4.967 3.991 4.333 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.766 6.591 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.144 4.332 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.191 5.468 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.026 7.018 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.482 6.434 6.849 1.00 0.00 H new ATOM 251 N LEU A 18 -3.501 6.351 2.200 1.00 0.00 N ATOM 252 CA LEU A 18 -3.153 7.158 1.000 1.00 0.00 C ATOM 253 C LEU A 18 -4.425 7.361 0.160 1.00 0.00 C ATOM 254 O LEU A 18 -4.992 6.407 -0.332 1.00 0.00 O ATOM 255 CB LEU A 18 -2.126 6.382 0.173 1.00 0.00 C ATOM 256 CG LEU A 18 -0.979 7.304 -0.232 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.291 6.896 0.516 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.746 7.180 -1.737 1.00 0.00 C ATOM 0 H LEU A 18 -3.371 5.345 2.093 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.743 8.124 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.741 5.542 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.601 5.967 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.230 8.335 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.111 7.554 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.122 6.976 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.546 5.867 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.072 7.836 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.491 6.149 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.652 7.467 -2.270 1.00 0.00 H new ATOM 270 N PRO A 19 -4.849 8.598 0.038 1.00 0.00 N ATOM 271 CA PRO A 19 -6.056 8.928 -0.712 1.00 0.00 C ATOM 272 C PRO A 19 -5.851 8.726 -2.216 1.00 0.00 C ATOM 273 O PRO A 19 -4.760 8.867 -2.734 1.00 0.00 O ATOM 274 CB PRO A 19 -6.309 10.399 -0.398 1.00 0.00 C ATOM 275 CG PRO A 19 -4.894 10.941 -0.026 1.00 0.00 C ATOM 276 CD PRO A 19 -4.152 9.747 0.636 1.00 0.00 C ATOM 0 HA PRO A 19 -6.895 8.289 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.728 10.926 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.014 10.518 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.363 11.291 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.965 11.787 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.087 9.747 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.241 9.760 1.722 1.00 0.00 H new ATOM 284 N CYS A 20 -6.903 8.397 -2.919 1.00 0.00 N ATOM 285 CA CYS A 20 -6.793 8.185 -4.389 1.00 0.00 C ATOM 286 C CYS A 20 -7.668 9.208 -5.120 1.00 0.00 C ATOM 287 O CYS A 20 -8.878 9.101 -5.142 1.00 0.00 O ATOM 288 CB CYS A 20 -7.278 6.778 -4.736 1.00 0.00 C ATOM 289 SG CYS A 20 -5.853 5.689 -4.977 1.00 0.00 S ATOM 0 H CYS A 20 -7.838 8.266 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.753 8.304 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.912 6.393 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.886 6.804 -5.640 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.216 4.454 -4.798 1.00 0.00 H new ATOM 295 N GLU A 21 -7.066 10.195 -5.725 1.00 0.00 N ATOM 296 CA GLU A 21 -7.864 11.218 -6.459 1.00 0.00 C ATOM 297 C GLU A 21 -8.612 12.108 -5.463 1.00 0.00 C ATOM 298 O GLU A 21 -9.365 12.984 -5.843 1.00 0.00 O ATOM 299 CB GLU A 21 -8.873 10.518 -7.374 1.00 0.00 C ATOM 300 CG GLU A 21 -8.538 10.829 -8.833 1.00 0.00 C ATOM 301 CD GLU A 21 -9.595 10.205 -9.746 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.688 9.954 -9.266 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.294 9.988 -10.907 1.00 0.00 O ATOM 0 H GLU A 21 -6.056 10.337 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.193 11.834 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.848 9.441 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.884 10.853 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.501 11.908 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.551 10.438 -9.082 1.00 0.00 H new ATOM 310 N LYS A 22 -8.413 11.897 -4.191 1.00 0.00 N ATOM 311 CA LYS A 22 -9.115 12.735 -3.179 1.00 0.00 C ATOM 312 C LYS A 22 -10.626 12.619 -3.384 1.00 0.00 C ATOM 313 O LYS A 22 -11.363 13.568 -3.199 1.00 0.00 O ATOM 314 CB LYS A 22 -8.688 14.195 -3.344 1.00 0.00 C ATOM 315 CG LYS A 22 -8.116 14.714 -2.024 1.00 0.00 C ATOM 316 CD LYS A 22 -6.698 14.172 -1.833 1.00 0.00 C ATOM 317 CE LYS A 22 -5.697 15.326 -1.900 1.00 0.00 C ATOM 318 NZ LYS A 22 -4.644 15.130 -0.864 1.00 0.00 N ATOM 0 H LYS A 22 -7.795 11.181 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.856 12.392 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.941 14.279 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.541 14.802 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.103 15.804 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.750 14.403 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.618 13.663 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.472 13.435 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.244 15.372 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.208 16.275 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.963 15.914 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.084 15.107 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.149 14.232 -1.037 1.00 0.00 H new ATOM 332 N SER A 23 -11.095 11.463 -3.765 1.00 0.00 N ATOM 333 CA SER A 23 -12.559 11.286 -3.982 1.00 0.00 C ATOM 334 C SER A 23 -13.108 10.290 -2.960 1.00 0.00 C ATOM 335 O SER A 23 -14.061 9.582 -3.220 1.00 0.00 O ATOM 336 CB SER A 23 -12.799 10.746 -5.393 1.00 0.00 C ATOM 337 OG SER A 23 -13.892 11.441 -5.981 1.00 0.00 O ATOM 0 H SER A 23 -10.528 10.633 -3.936 1.00 0.00 H new ATOM 0 HA SER A 23 -13.064 12.245 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.903 10.872 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.010 9.677 -5.355 1.00 0.00 H new ATOM 0 HG SER A 23 -13.552 12.135 -6.584 1.00 0.00 H new ATOM 343 N ASP A 24 -12.493 10.214 -1.809 1.00 0.00 N ATOM 344 CA ASP A 24 -12.947 9.252 -0.768 1.00 0.00 C ATOM 345 C ASP A 24 -12.379 7.879 -1.099 1.00 0.00 C ATOM 346 O ASP A 24 -12.530 6.933 -0.352 1.00 0.00 O ATOM 347 CB ASP A 24 -14.474 9.177 -0.738 1.00 0.00 C ATOM 348 CG ASP A 24 -14.965 9.312 0.704 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.186 9.037 1.602 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.111 9.687 0.887 1.00 0.00 O ATOM 0 H ASP A 24 -11.689 10.783 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.598 9.584 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.899 9.970 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.810 8.230 -1.160 1.00 0.00 H new ATOM 355 N ALA A 25 -11.717 7.763 -2.217 1.00 0.00 N ATOM 356 CA ALA A 25 -11.133 6.458 -2.595 1.00 0.00 C ATOM 357 C ALA A 25 -9.719 6.371 -2.032 1.00 0.00 C ATOM 358 O ALA A 25 -9.246 7.277 -1.377 1.00 0.00 O ATOM 359 CB ALA A 25 -11.086 6.335 -4.119 1.00 0.00 C ATOM 0 H ALA A 25 -11.558 8.520 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.744 5.650 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.655 5.372 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.096 6.408 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.473 7.137 -4.530 1.00 0.00 H new ATOM 365 N TYR A 26 -9.039 5.291 -2.278 1.00 0.00 N ATOM 366 CA TYR A 26 -7.657 5.160 -1.748 1.00 0.00 C ATOM 367 C TYR A 26 -6.836 4.274 -2.682 1.00 0.00 C ATOM 368 O TYR A 26 -7.207 4.045 -3.813 1.00 0.00 O ATOM 369 CB TYR A 26 -7.699 4.551 -0.347 1.00 0.00 C ATOM 370 CG TYR A 26 -8.940 3.700 -0.182 1.00 0.00 C ATOM 371 CD1 TYR A 26 -8.990 2.421 -0.750 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.033 4.188 0.546 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.135 1.630 -0.590 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.176 3.395 0.705 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.226 2.116 0.138 1.00 0.00 C ATOM 376 OH TYR A 26 -12.353 1.335 0.296 1.00 0.00 O ATOM 0 H TYR A 26 -9.377 4.496 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.193 6.145 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.809 3.945 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.690 5.343 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.147 2.045 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.994 5.174 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.175 0.644 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.020 3.770 1.265 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.693 1.069 -0.584 1.00 0.00 H new ATOM 386 N PHE A 27 -5.713 3.789 -2.233 1.00 0.00 N ATOM 387 CA PHE A 27 -4.879 2.941 -3.126 1.00 0.00 C ATOM 388 C PHE A 27 -4.913 1.475 -2.679 1.00 0.00 C ATOM 389 O PHE A 27 -4.084 1.023 -1.917 1.00 0.00 O ATOM 390 CB PHE A 27 -3.438 3.453 -3.106 1.00 0.00 C ATOM 391 CG PHE A 27 -3.174 4.227 -4.374 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.594 3.712 -5.606 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.514 5.459 -4.319 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.354 4.428 -6.783 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.275 6.177 -5.497 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.696 5.661 -6.729 1.00 0.00 C ATOM 0 H PHE A 27 -5.340 3.941 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.281 2.998 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.277 4.089 -2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.743 2.618 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.104 2.761 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.189 5.856 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.677 4.029 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.766 7.129 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.513 6.215 -7.638 1.00 0.00 H new ATOM 406 N VAL A 28 -5.861 0.726 -3.163 1.00 0.00 N ATOM 407 CA VAL A 28 -5.940 -0.714 -2.797 1.00 0.00 C ATOM 408 C VAL A 28 -4.914 -1.493 -3.631 1.00 0.00 C ATOM 409 O VAL A 28 -5.213 -1.979 -4.703 1.00 0.00 O ATOM 410 CB VAL A 28 -7.356 -1.233 -3.087 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.353 -2.763 -3.174 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.295 -0.794 -1.962 1.00 0.00 C ATOM 0 H VAL A 28 -6.589 1.051 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.723 -0.846 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.696 -0.824 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.363 -3.118 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.686 -3.081 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.008 -3.181 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.301 -1.161 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.944 -1.203 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.310 0.294 -1.905 1.00 0.00 H new ATOM 422 N LEU A 29 -3.703 -1.596 -3.140 1.00 0.00 N ATOM 423 CA LEU A 29 -2.630 -2.327 -3.881 1.00 0.00 C ATOM 424 C LEU A 29 -3.217 -3.535 -4.613 1.00 0.00 C ATOM 425 O LEU A 29 -3.335 -4.610 -4.062 1.00 0.00 O ATOM 426 CB LEU A 29 -1.568 -2.807 -2.890 1.00 0.00 C ATOM 427 CG LEU A 29 -0.500 -3.615 -3.633 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.654 -2.695 -4.034 1.00 0.00 C ATOM 429 CD2 LEU A 29 0.030 -4.723 -2.717 1.00 0.00 C ATOM 0 H LEU A 29 -3.410 -1.200 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.183 -1.652 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.110 -1.953 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.029 -3.420 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.939 -4.057 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.413 -3.272 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.280 -1.905 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.093 -2.251 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.790 -5.299 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.467 -4.278 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.790 -5.381 -2.430 1.00 0.00 H new ATOM 441 N ARG A 30 -3.578 -3.366 -5.856 1.00 0.00 N ATOM 442 CA ARG A 30 -4.149 -4.503 -6.631 1.00 0.00 C ATOM 443 C ARG A 30 -3.036 -5.160 -7.449 1.00 0.00 C ATOM 444 O ARG A 30 -1.990 -4.582 -7.667 1.00 0.00 O ATOM 445 CB ARG A 30 -5.238 -3.985 -7.572 1.00 0.00 C ATOM 446 CG ARG A 30 -6.459 -4.903 -7.499 1.00 0.00 C ATOM 447 CD ARG A 30 -7.720 -4.060 -7.298 1.00 0.00 C ATOM 448 NE ARG A 30 -8.874 -4.727 -7.965 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.917 -4.026 -8.319 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.759 -2.876 -8.914 1.00 0.00 N ATOM 451 NH2 ARG A 30 -11.118 -4.475 -8.078 1.00 0.00 N ATOM 0 H ARG A 30 -3.502 -2.488 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.582 -5.233 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.518 -2.968 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.861 -3.945 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.542 -5.489 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.347 -5.610 -6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.922 -3.937 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.574 -3.062 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.849 -5.731 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.820 -2.524 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.574 -2.329 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.242 -5.374 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.932 -3.927 -8.355 1.00 0.00 H new ATOM 465 N ASP A 31 -3.248 -6.365 -7.904 1.00 0.00 N ATOM 466 CA ASP A 31 -2.194 -7.050 -8.707 1.00 0.00 C ATOM 467 C ASP A 31 -2.744 -7.384 -10.095 1.00 0.00 C ATOM 468 O ASP A 31 -3.707 -8.112 -10.235 1.00 0.00 O ATOM 469 CB ASP A 31 -1.773 -8.341 -8.001 1.00 0.00 C ATOM 470 CG ASP A 31 -2.920 -9.351 -8.054 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.833 -9.223 -7.254 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.866 -10.236 -8.891 1.00 0.00 O ATOM 0 H ASP A 31 -4.102 -6.903 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.331 -6.392 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.886 -8.757 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.507 -8.131 -6.965 1.00 0.00 H new ATOM 477 N GLY A 32 -2.136 -6.859 -11.124 1.00 0.00 N ATOM 478 CA GLY A 32 -2.622 -7.147 -12.503 1.00 0.00 C ATOM 479 C GLY A 32 -2.036 -8.476 -12.984 1.00 0.00 C ATOM 480 O GLY A 32 -2.175 -9.496 -12.338 1.00 0.00 O ATOM 0 H GLY A 32 -1.324 -6.244 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.711 -7.192 -12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.330 -6.343 -13.178 1.00 0.00 H new ATOM 484 N ALA A 33 -1.382 -8.474 -14.113 1.00 0.00 N ATOM 485 CA ALA A 33 -0.788 -9.739 -14.634 1.00 0.00 C ATOM 486 C ALA A 33 0.717 -9.747 -14.360 1.00 0.00 C ATOM 487 O ALA A 33 1.459 -8.943 -14.890 1.00 0.00 O ATOM 488 CB ALA A 33 -1.032 -9.833 -16.141 1.00 0.00 C ATOM 0 H ALA A 33 -1.233 -7.652 -14.698 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.252 -10.590 -14.136 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.598 -10.757 -16.523 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.104 -9.827 -16.337 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.568 -8.982 -16.639 1.00 0.00 H new ATOM 494 N ALA A 34 1.175 -10.649 -13.535 1.00 0.00 N ATOM 495 CA ALA A 34 2.632 -10.708 -13.229 1.00 0.00 C ATOM 496 C ALA A 34 3.156 -9.295 -12.966 1.00 0.00 C ATOM 497 O ALA A 34 4.203 -8.912 -13.447 1.00 0.00 O ATOM 498 CB ALA A 34 3.380 -11.315 -14.418 1.00 0.00 C ATOM 0 H ALA A 34 0.603 -11.347 -13.060 1.00 0.00 H new ATOM 0 HA ALA A 34 2.792 -11.326 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.446 -11.358 -14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.008 -12.322 -14.606 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.220 -10.698 -15.302 1.00 0.00 H new ATOM 504 N GLY A 35 2.436 -8.517 -12.204 1.00 0.00 N ATOM 505 CA GLY A 35 2.897 -7.131 -11.913 1.00 0.00 C ATOM 506 C GLY A 35 2.014 -6.517 -10.827 1.00 0.00 C ATOM 507 O GLY A 35 0.822 -6.352 -11.001 1.00 0.00 O ATOM 0 H GLY A 35 1.551 -8.781 -11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.937 -7.143 -11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.854 -6.525 -12.818 1.00 0.00 H new ATOM 511 N VAL A 36 2.588 -6.175 -9.707 1.00 0.00 N ATOM 512 CA VAL A 36 1.780 -5.570 -8.611 1.00 0.00 C ATOM 513 C VAL A 36 1.642 -4.066 -8.854 1.00 0.00 C ATOM 514 O VAL A 36 2.348 -3.491 -9.659 1.00 0.00 O ATOM 515 CB VAL A 36 2.479 -5.809 -7.270 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.902 -7.274 -7.169 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.719 -4.915 -7.173 1.00 0.00 C ATOM 0 H VAL A 36 3.581 -6.288 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 36 0.791 -6.028 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 36 1.793 -5.571 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.400 -7.444 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.021 -7.913 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.587 -7.512 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.217 -5.085 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.404 -5.153 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.420 -3.869 -7.245 1.00 0.00 H new ATOM 527 N PHE A 37 0.741 -3.423 -8.166 1.00 0.00 N ATOM 528 CA PHE A 37 0.564 -1.958 -8.363 1.00 0.00 C ATOM 529 C PHE A 37 -0.506 -1.438 -7.398 1.00 0.00 C ATOM 530 O PHE A 37 -1.081 -2.187 -6.633 1.00 0.00 O ATOM 531 CB PHE A 37 0.141 -1.686 -9.810 1.00 0.00 C ATOM 532 CG PHE A 37 -1.315 -2.041 -9.998 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.728 -3.377 -9.924 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.253 -1.032 -10.247 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.078 -3.703 -10.100 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.602 -1.358 -10.422 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.016 -2.693 -10.349 1.00 0.00 C ATOM 0 H PHE A 37 0.120 -3.848 -7.477 1.00 0.00 H new ATOM 0 HA PHE A 37 1.504 -1.445 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.302 -0.636 -10.053 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.757 -2.270 -10.494 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.005 -4.156 -9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.935 -0.001 -10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.396 -4.733 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.325 -0.579 -10.614 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.058 -2.944 -10.485 1.00 0.00 H new ATOM 547 N LEU A 38 -0.776 -0.161 -7.427 1.00 0.00 N ATOM 548 CA LEU A 38 -1.805 0.401 -6.511 1.00 0.00 C ATOM 549 C LEU A 38 -2.902 1.085 -7.327 1.00 0.00 C ATOM 550 O LEU A 38 -2.720 2.168 -7.845 1.00 0.00 O ATOM 551 CB LEU A 38 -1.153 1.423 -5.576 1.00 0.00 C ATOM 552 CG LEU A 38 0.236 0.928 -5.169 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.302 1.832 -5.789 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.363 0.963 -3.645 1.00 0.00 C ATOM 0 H LEU A 38 -0.328 0.515 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.242 -0.405 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.075 2.389 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.772 1.569 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 38 0.375 -0.094 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.292 1.479 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.212 1.808 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.163 2.854 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.353 0.610 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.223 1.985 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.396 0.319 -3.202 1.00 0.00 H new ATOM 566 N ALA A 39 -4.043 0.462 -7.442 1.00 0.00 N ATOM 567 CA ALA A 39 -5.150 1.081 -8.220 1.00 0.00 C ATOM 568 C ALA A 39 -6.115 1.775 -7.257 1.00 0.00 C ATOM 569 O ALA A 39 -6.286 1.363 -6.124 1.00 0.00 O ATOM 570 CB ALA A 39 -5.907 0.002 -8.998 1.00 0.00 C ATOM 0 H ALA A 39 -4.255 -0.447 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.735 1.806 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.716 0.462 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.223 -0.500 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.321 -0.726 -8.301 1.00 0.00 H new ATOM 576 N ALA A 40 -6.753 2.822 -7.700 1.00 0.00 N ATOM 577 CA ALA A 40 -7.710 3.530 -6.812 1.00 0.00 C ATOM 578 C ALA A 40 -8.876 2.589 -6.498 1.00 0.00 C ATOM 579 O ALA A 40 -9.374 1.896 -7.361 1.00 0.00 O ATOM 580 CB ALA A 40 -8.230 4.784 -7.520 1.00 0.00 C ATOM 0 H ALA A 40 -6.652 3.215 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.216 3.825 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.933 5.304 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.394 5.444 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.734 4.498 -8.443 1.00 0.00 H new ATOM 586 N ASN A 41 -9.305 2.548 -5.268 1.00 0.00 N ATOM 587 CA ASN A 41 -10.428 1.639 -4.901 1.00 0.00 C ATOM 588 C ASN A 41 -11.730 2.143 -5.532 1.00 0.00 C ATOM 589 O ASN A 41 -12.754 1.497 -5.455 1.00 0.00 O ATOM 590 CB ASN A 41 -10.569 1.597 -3.376 1.00 0.00 C ATOM 591 CG ASN A 41 -11.916 0.976 -2.999 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.688 1.566 -2.269 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.234 -0.199 -3.469 1.00 0.00 N ATOM 0 H ASN A 41 -8.927 3.104 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.220 0.635 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.756 1.016 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.495 2.604 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.130 -0.621 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.587 -0.695 -4.082 1.00 0.00 H new ATOM 600 N THR A 42 -11.699 3.288 -6.158 1.00 0.00 N ATOM 601 CA THR A 42 -12.939 3.817 -6.792 1.00 0.00 C ATOM 602 C THR A 42 -12.889 3.567 -8.303 1.00 0.00 C ATOM 603 O THR A 42 -13.744 4.011 -9.041 1.00 0.00 O ATOM 604 CB THR A 42 -13.055 5.319 -6.519 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.764 5.908 -6.563 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.674 5.540 -5.137 1.00 0.00 C ATOM 0 H THR A 42 -10.872 3.877 -6.257 1.00 0.00 H new ATOM 0 HA THR A 42 -13.807 3.308 -6.372 1.00 0.00 H new ATOM 0 HB THR A 42 -13.689 5.780 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.849 6.884 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.757 6.609 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.665 5.088 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.041 5.081 -4.377 1.00 0.00 H new ATOM 614 N PHE A 43 -11.893 2.850 -8.761 1.00 0.00 N ATOM 615 CA PHE A 43 -11.771 2.549 -10.221 1.00 0.00 C ATOM 616 C PHE A 43 -13.162 2.270 -10.804 1.00 0.00 C ATOM 617 O PHE A 43 -13.998 1.690 -10.139 1.00 0.00 O ATOM 618 CB PHE A 43 -10.887 1.306 -10.384 1.00 0.00 C ATOM 619 CG PHE A 43 -10.834 0.893 -11.835 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.933 0.259 -12.425 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.683 1.145 -12.590 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.882 -0.123 -13.771 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.631 0.764 -13.936 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.729 0.130 -14.527 1.00 0.00 C ATOM 0 H PHE A 43 -11.152 2.457 -8.180 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.329 3.396 -10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.881 1.516 -10.021 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.280 0.489 -9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.821 0.064 -11.842 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.835 1.634 -12.134 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.730 -0.612 -14.226 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.743 0.960 -14.518 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.688 -0.164 -15.565 1.00 0.00 H new ATOM 634 N PRO A 44 -13.376 2.683 -12.033 1.00 0.00 N ATOM 635 CA PRO A 44 -12.374 3.379 -12.832 1.00 0.00 C ATOM 636 C PRO A 44 -12.290 4.858 -12.440 1.00 0.00 C ATOM 637 O PRO A 44 -11.535 5.612 -13.021 1.00 0.00 O ATOM 638 CB PRO A 44 -12.882 3.249 -14.262 1.00 0.00 C ATOM 639 CG PRO A 44 -14.430 3.130 -14.089 1.00 0.00 C ATOM 640 CD PRO A 44 -14.661 2.452 -12.707 1.00 0.00 C ATOM 0 HA PRO A 44 -11.376 2.963 -12.692 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.611 4.116 -14.865 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.465 2.373 -14.758 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.902 4.112 -14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.867 2.536 -14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.492 2.903 -12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.884 1.390 -12.806 1.00 0.00 H new ATOM 648 N LYS A 45 -13.058 5.275 -11.467 1.00 0.00 N ATOM 649 CA LYS A 45 -13.023 6.703 -11.038 1.00 0.00 C ATOM 650 C LYS A 45 -11.580 7.207 -11.067 1.00 0.00 C ATOM 651 O LYS A 45 -11.319 8.371 -11.302 1.00 0.00 O ATOM 652 CB LYS A 45 -13.579 6.809 -9.618 1.00 0.00 C ATOM 653 CG LYS A 45 -13.216 8.169 -9.026 1.00 0.00 C ATOM 654 CD LYS A 45 -13.941 8.361 -7.694 1.00 0.00 C ATOM 655 CE LYS A 45 -14.921 9.529 -7.811 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.886 9.485 -6.677 1.00 0.00 N ATOM 0 H LYS A 45 -13.710 4.685 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.627 7.309 -11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.662 6.684 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.173 6.011 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.138 8.236 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.492 8.964 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.475 7.450 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.220 8.555 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.379 10.474 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.456 9.475 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.833 9.748 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.915 8.523 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.585 10.153 -5.939 1.00 0.00 H new ATOM 670 N SER A 46 -10.642 6.333 -10.838 1.00 0.00 N ATOM 671 CA SER A 46 -9.213 6.744 -10.859 1.00 0.00 C ATOM 672 C SER A 46 -8.396 5.647 -11.541 1.00 0.00 C ATOM 673 O SER A 46 -8.346 4.524 -11.082 1.00 0.00 O ATOM 674 CB SER A 46 -8.717 6.945 -9.426 1.00 0.00 C ATOM 675 OG SER A 46 -7.395 6.437 -9.310 1.00 0.00 O ATOM 0 H SER A 46 -10.805 5.347 -10.636 1.00 0.00 H new ATOM 0 HA SER A 46 -9.102 7.680 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.736 8.004 -9.168 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.378 6.434 -8.725 1.00 0.00 H new ATOM 0 HG SER A 46 -6.917 6.925 -8.607 1.00 0.00 H new ATOM 681 N ARG A 47 -7.757 5.959 -12.634 1.00 0.00 N ATOM 682 CA ARG A 47 -6.952 4.923 -13.337 1.00 0.00 C ATOM 683 C ARG A 47 -5.531 4.929 -12.780 1.00 0.00 C ATOM 684 O ARG A 47 -4.618 4.386 -13.370 1.00 0.00 O ATOM 685 CB ARG A 47 -6.919 5.228 -14.837 1.00 0.00 C ATOM 686 CG ARG A 47 -7.779 4.205 -15.583 1.00 0.00 C ATOM 687 CD ARG A 47 -7.864 4.589 -17.062 1.00 0.00 C ATOM 688 NE ARG A 47 -8.091 3.365 -17.880 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.140 3.451 -19.181 1.00 0.00 C ATOM 690 NH1 ARG A 47 -7.420 4.341 -19.805 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.911 2.644 -19.859 1.00 0.00 N ATOM 0 H ARG A 47 -7.757 6.882 -13.069 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.401 3.942 -13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.290 6.236 -15.023 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.893 5.194 -15.204 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.349 3.209 -15.479 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.778 4.168 -15.148 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.676 5.300 -17.218 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.944 5.083 -17.374 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.208 2.460 -17.423 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.817 4.971 -19.276 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.459 4.407 -20.822 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.474 1.947 -19.371 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.950 2.710 -20.876 1.00 0.00 H new ATOM 705 N GLU A 48 -5.338 5.530 -11.637 1.00 0.00 N ATOM 706 CA GLU A 48 -3.978 5.560 -11.034 1.00 0.00 C ATOM 707 C GLU A 48 -3.534 4.126 -10.745 1.00 0.00 C ATOM 708 O GLU A 48 -3.916 3.539 -9.753 1.00 0.00 O ATOM 709 CB GLU A 48 -4.011 6.358 -9.729 1.00 0.00 C ATOM 710 CG GLU A 48 -4.743 7.683 -9.955 1.00 0.00 C ATOM 711 CD GLU A 48 -4.612 8.557 -8.706 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.465 8.001 -7.631 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.661 9.768 -8.847 1.00 0.00 O ATOM 0 H GLU A 48 -6.064 6.001 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.279 6.033 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.513 5.782 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.996 6.547 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.324 8.199 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.795 7.497 -10.173 1.00 0.00 H new ATOM 720 N THR A 49 -2.742 3.554 -11.606 1.00 0.00 N ATOM 721 CA THR A 49 -2.289 2.152 -11.378 1.00 0.00 C ATOM 722 C THR A 49 -0.810 2.020 -11.744 1.00 0.00 C ATOM 723 O THR A 49 -0.379 2.446 -12.798 1.00 0.00 O ATOM 724 CB THR A 49 -3.117 1.202 -12.247 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.338 0.059 -12.570 1.00 0.00 O ATOM 726 CG2 THR A 49 -3.539 1.914 -13.534 1.00 0.00 C ATOM 0 H THR A 49 -2.389 3.994 -12.456 1.00 0.00 H new ATOM 0 HA THR A 49 -2.423 1.896 -10.327 1.00 0.00 H new ATOM 0 HB THR A 49 -4.007 0.894 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.441 -0.617 -11.868 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.128 1.234 -14.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.138 2.790 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.652 2.226 -14.085 1.00 0.00 H new ATOM 734 N ARG A 50 -0.030 1.429 -10.881 1.00 0.00 N ATOM 735 CA ARG A 50 1.421 1.263 -11.175 1.00 0.00 C ATOM 736 C ARG A 50 2.140 0.780 -9.915 1.00 0.00 C ATOM 737 O ARG A 50 1.628 0.888 -8.819 1.00 0.00 O ATOM 738 CB ARG A 50 2.012 2.605 -11.612 1.00 0.00 C ATOM 739 CG ARG A 50 2.184 2.617 -13.132 1.00 0.00 C ATOM 740 CD ARG A 50 3.572 3.156 -13.484 1.00 0.00 C ATOM 741 NE ARG A 50 3.713 3.233 -14.965 1.00 0.00 N ATOM 742 CZ ARG A 50 4.396 4.206 -15.504 1.00 0.00 C ATOM 743 NH1 ARG A 50 5.680 4.077 -15.689 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.792 5.307 -15.860 1.00 0.00 N ATOM 0 H ARG A 50 -0.336 1.053 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 50 1.549 0.533 -11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.358 3.420 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.974 2.766 -11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.061 1.610 -13.531 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.414 3.237 -13.591 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.714 4.143 -13.043 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.342 2.507 -13.068 1.00 0.00 H new ATOM 0 HE ARG A 50 3.276 2.526 -15.557 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.151 3.216 -15.413 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.214 4.837 -16.110 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.787 5.407 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.325 6.068 -16.281 1.00 0.00 H new ATOM 758 N ALA A 51 3.323 0.250 -10.059 1.00 0.00 N ATOM 759 CA ALA A 51 4.065 -0.234 -8.863 1.00 0.00 C ATOM 760 C ALA A 51 4.180 0.909 -7.850 1.00 0.00 C ATOM 761 O ALA A 51 4.237 2.062 -8.227 1.00 0.00 O ATOM 762 CB ALA A 51 5.458 -0.703 -9.278 1.00 0.00 C ATOM 0 H ALA A 51 3.806 0.132 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 51 3.531 -1.070 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.999 -1.057 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.369 -1.514 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.002 0.127 -9.729 1.00 0.00 H new ATOM 768 N PRO A 52 4.182 0.554 -6.591 1.00 0.00 N ATOM 769 CA PRO A 52 4.255 1.531 -5.515 1.00 0.00 C ATOM 770 C PRO A 52 5.688 2.034 -5.299 1.00 0.00 C ATOM 771 O PRO A 52 6.637 1.273 -5.298 1.00 0.00 O ATOM 772 CB PRO A 52 3.785 0.764 -4.287 1.00 0.00 C ATOM 773 CG PRO A 52 4.164 -0.718 -4.610 1.00 0.00 C ATOM 774 CD PRO A 52 4.104 -0.851 -6.160 1.00 0.00 C ATOM 0 HA PRO A 52 3.655 2.415 -5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.279 1.116 -3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.712 0.878 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.160 -0.956 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.471 -1.410 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.931 -1.444 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.183 -1.329 -6.493 1.00 0.00 H new ATOM 782 N LEU A 53 5.842 3.315 -5.086 1.00 0.00 N ATOM 783 CA LEU A 53 7.194 3.884 -4.827 1.00 0.00 C ATOM 784 C LEU A 53 7.822 3.127 -3.652 1.00 0.00 C ATOM 785 O LEU A 53 7.149 2.780 -2.702 1.00 0.00 O ATOM 786 CB LEU A 53 7.056 5.358 -4.462 1.00 0.00 C ATOM 787 CG LEU A 53 8.100 6.169 -5.227 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.469 5.504 -5.099 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.712 6.248 -6.704 1.00 0.00 C ATOM 0 H LEU A 53 5.082 3.995 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 53 7.821 3.787 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.054 5.712 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.190 5.492 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 53 8.145 7.174 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.209 6.087 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.752 5.454 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.424 4.496 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.459 6.827 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.660 5.242 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.739 6.731 -6.799 1.00 0.00 H new ATOM 801 N VAL A 54 9.098 2.866 -3.699 1.00 0.00 N ATOM 802 CA VAL A 54 9.747 2.129 -2.579 1.00 0.00 C ATOM 803 C VAL A 54 9.607 2.938 -1.288 1.00 0.00 C ATOM 804 O VAL A 54 9.542 2.390 -0.205 1.00 0.00 O ATOM 805 CB VAL A 54 11.228 1.927 -2.898 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.831 0.919 -1.923 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.377 1.399 -4.327 1.00 0.00 C ATOM 0 H VAL A 54 9.719 3.131 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 54 9.266 1.159 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 54 11.748 2.880 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.887 0.777 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.729 1.292 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.309 -0.033 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.433 1.255 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.853 0.448 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.950 2.118 -5.027 1.00 0.00 H new ATOM 817 N GLU A 55 9.557 4.237 -1.392 1.00 0.00 N ATOM 818 CA GLU A 55 9.420 5.077 -0.170 1.00 0.00 C ATOM 819 C GLU A 55 7.980 4.994 0.340 1.00 0.00 C ATOM 820 O GLU A 55 7.727 5.069 1.527 1.00 0.00 O ATOM 821 CB GLU A 55 9.762 6.530 -0.505 1.00 0.00 C ATOM 822 CG GLU A 55 9.115 6.914 -1.837 1.00 0.00 C ATOM 823 CD GLU A 55 8.327 8.214 -1.667 1.00 0.00 C ATOM 824 OE1 GLU A 55 7.991 8.536 -0.539 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.073 8.864 -2.666 1.00 0.00 O ATOM 0 H GLU A 55 9.605 4.753 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 55 10.102 4.716 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.407 7.190 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.843 6.656 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.881 7.038 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.453 6.117 -2.175 1.00 0.00 H new ATOM 832 N GLU A 56 7.036 4.832 -0.545 1.00 0.00 N ATOM 833 CA GLU A 56 5.616 4.737 -0.105 1.00 0.00 C ATOM 834 C GLU A 56 5.382 3.361 0.517 1.00 0.00 C ATOM 835 O GLU A 56 4.578 3.199 1.414 1.00 0.00 O ATOM 836 CB GLU A 56 4.693 4.916 -1.313 1.00 0.00 C ATOM 837 CG GLU A 56 4.710 6.379 -1.757 1.00 0.00 C ATOM 838 CD GLU A 56 3.303 6.965 -1.639 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.357 6.197 -1.691 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.195 8.173 -1.497 1.00 0.00 O ATOM 0 H GLU A 56 7.186 4.761 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 56 5.403 5.515 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.018 4.273 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.677 4.615 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.405 6.949 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.061 6.454 -2.786 1.00 0.00 H new ATOM 847 N LEU A 57 6.089 2.370 0.051 1.00 0.00 N ATOM 848 CA LEU A 57 5.921 1.003 0.613 1.00 0.00 C ATOM 849 C LEU A 57 6.645 0.921 1.957 1.00 0.00 C ATOM 850 O LEU A 57 6.289 0.143 2.820 1.00 0.00 O ATOM 851 CB LEU A 57 6.515 -0.021 -0.356 1.00 0.00 C ATOM 852 CG LEU A 57 6.221 -1.439 0.139 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.786 -1.530 0.667 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.387 -2.415 -1.022 1.00 0.00 C ATOM 0 H LEU A 57 6.778 2.449 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 57 4.862 0.790 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.094 0.121 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.591 0.128 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 57 6.913 -1.687 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.590 -2.544 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.657 -0.831 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.088 -1.280 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.179 -3.428 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.692 -2.153 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.408 -2.362 -1.399 1.00 0.00 H new ATOM 866 N TYR A 58 7.657 1.724 2.143 1.00 0.00 N ATOM 867 CA TYR A 58 8.400 1.698 3.433 1.00 0.00 C ATOM 868 C TYR A 58 7.548 2.361 4.517 1.00 0.00 C ATOM 869 O TYR A 58 7.488 1.905 5.641 1.00 0.00 O ATOM 870 CB TYR A 58 9.717 2.463 3.279 1.00 0.00 C ATOM 871 CG TYR A 58 10.407 2.554 4.619 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.919 3.424 5.600 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.537 1.769 4.879 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.560 3.509 6.842 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.178 1.854 6.120 1.00 0.00 C ATOM 876 CZ TYR A 58 11.689 2.724 7.102 1.00 0.00 C ATOM 877 OH TYR A 58 12.321 2.809 8.326 1.00 0.00 O ATOM 0 H TYR A 58 8.001 2.396 1.457 1.00 0.00 H new ATOM 0 HA TYR A 58 8.612 0.666 3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.361 1.957 2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.526 3.462 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.048 4.030 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.914 1.098 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.183 4.180 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.050 1.249 6.320 1.00 0.00 H new ATOM 0 HH TYR A 58 13.087 2.197 8.342 1.00 0.00 H new ATOM 887 N ARG A 59 6.881 3.433 4.184 1.00 0.00 N ATOM 888 CA ARG A 59 6.027 4.124 5.192 1.00 0.00 C ATOM 889 C ARG A 59 4.804 3.258 5.495 1.00 0.00 C ATOM 890 O ARG A 59 4.306 3.236 6.604 1.00 0.00 O ATOM 891 CB ARG A 59 5.570 5.473 4.634 1.00 0.00 C ATOM 892 CG ARG A 59 4.662 6.166 5.653 1.00 0.00 C ATOM 893 CD ARG A 59 3.367 6.602 4.967 1.00 0.00 C ATOM 894 NE ARG A 59 2.256 6.607 5.960 1.00 0.00 N ATOM 895 CZ ARG A 59 1.752 7.740 6.368 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.484 8.821 6.360 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.517 7.792 6.785 1.00 0.00 N ATOM 0 H ARG A 59 6.891 3.860 3.258 1.00 0.00 H new ATOM 0 HA ARG A 59 6.598 4.285 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.435 6.100 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.036 5.328 3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.439 5.489 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.170 7.031 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.488 7.596 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.132 5.925 4.146 1.00 0.00 H new ATOM 0 HE ARG A 59 1.890 5.726 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.450 8.780 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.090 9.706 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.055 6.947 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.123 8.677 7.104 1.00 0.00 H new ATOM 911 N PHE A 60 4.319 2.540 4.519 1.00 0.00 N ATOM 912 CA PHE A 60 3.129 1.673 4.751 1.00 0.00 C ATOM 913 C PHE A 60 3.586 0.310 5.276 1.00 0.00 C ATOM 914 O PHE A 60 2.845 -0.652 5.261 1.00 0.00 O ATOM 915 CB PHE A 60 2.371 1.485 3.435 1.00 0.00 C ATOM 916 CG PHE A 60 1.507 2.696 3.175 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.099 3.919 2.838 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.114 2.595 3.274 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.297 5.042 2.600 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.688 3.719 3.034 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.095 4.942 2.698 1.00 0.00 C ATOM 0 H PHE A 60 4.695 2.516 3.571 1.00 0.00 H new ATOM 0 HA PHE A 60 2.473 2.143 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.075 1.344 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.754 0.588 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.174 3.996 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.342 1.652 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.753 5.986 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.763 3.642 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.713 5.809 2.514 1.00 0.00 H new ATOM 931 N ARG A 61 4.803 0.222 5.740 1.00 0.00 N ATOM 932 CA ARG A 61 5.310 -1.077 6.267 1.00 0.00 C ATOM 933 C ARG A 61 4.384 -1.574 7.380 1.00 0.00 C ATOM 934 O ARG A 61 4.132 -2.756 7.509 1.00 0.00 O ATOM 935 CB ARG A 61 6.720 -0.883 6.826 1.00 0.00 C ATOM 936 CG ARG A 61 7.732 -0.916 5.679 1.00 0.00 C ATOM 937 CD ARG A 61 8.384 -2.298 5.615 1.00 0.00 C ATOM 938 NE ARG A 61 7.392 -3.336 6.009 1.00 0.00 N ATOM 939 CZ ARG A 61 7.642 -4.129 7.015 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.726 -4.855 7.021 1.00 0.00 N ATOM 941 NH2 ARG A 61 6.807 -4.194 8.017 1.00 0.00 N ATOM 0 H ARG A 61 5.468 0.994 5.777 1.00 0.00 H new ATOM 0 HA ARG A 61 5.335 -1.811 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.785 0.067 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.947 -1.667 7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.235 -0.692 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.493 -0.150 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.749 -2.493 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.248 -2.335 6.279 1.00 0.00 H new ATOM 0 HE ARG A 61 6.517 -3.427 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.379 -4.803 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.921 -5.474 7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.960 -3.625 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.002 -4.813 8.804 1.00 0.00 H new ATOM 955 N ASP A 62 3.878 -0.682 8.186 1.00 0.00 N ATOM 956 CA ASP A 62 2.971 -1.104 9.291 1.00 0.00 C ATOM 957 C ASP A 62 1.714 -1.752 8.707 1.00 0.00 C ATOM 958 O ASP A 62 1.193 -2.710 9.240 1.00 0.00 O ATOM 959 CB ASP A 62 2.576 0.119 10.121 1.00 0.00 C ATOM 960 CG ASP A 62 3.806 0.662 10.850 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.715 -0.114 11.095 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.818 1.844 11.151 1.00 0.00 O ATOM 0 H ASP A 62 4.053 0.321 8.127 1.00 0.00 H new ATOM 0 HA ASP A 62 3.486 -1.825 9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.154 0.889 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.804 -0.151 10.841 1.00 0.00 H new ATOM 967 N ARG A 63 1.223 -1.237 7.613 1.00 0.00 N ATOM 968 CA ARG A 63 0.001 -1.823 6.996 1.00 0.00 C ATOM 969 C ARG A 63 0.403 -2.869 5.954 1.00 0.00 C ATOM 970 O ARG A 63 -0.432 -3.535 5.373 1.00 0.00 O ATOM 971 CB ARG A 63 -0.812 -0.717 6.320 1.00 0.00 C ATOM 972 CG ARG A 63 -2.185 -0.610 6.987 1.00 0.00 C ATOM 973 CD ARG A 63 -2.911 0.631 6.466 1.00 0.00 C ATOM 974 NE ARG A 63 -2.940 1.673 7.530 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.294 1.355 8.746 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.547 1.110 9.017 1.00 0.00 N ATOM 977 NH2 ARG A 63 -2.395 1.281 9.688 1.00 0.00 N ATOM 0 H ARG A 63 1.616 -0.435 7.120 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.603 -2.296 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.285 0.234 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.928 -0.934 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.773 -1.503 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.071 -0.550 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.406 1.015 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.927 0.373 6.168 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.683 2.635 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.249 1.167 8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.824 0.862 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.416 1.472 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.671 1.033 10.638 1.00 0.00 H new ATOM 991 N LEU A 64 1.677 -3.020 5.710 1.00 0.00 N ATOM 992 CA LEU A 64 2.131 -4.021 4.705 1.00 0.00 C ATOM 993 C LEU A 64 1.713 -5.428 5.154 1.00 0.00 C ATOM 994 O LEU A 64 1.949 -5.804 6.285 1.00 0.00 O ATOM 995 CB LEU A 64 3.656 -3.960 4.588 1.00 0.00 C ATOM 996 CG LEU A 64 4.064 -4.119 3.124 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.351 -3.333 2.865 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.306 -5.600 2.819 1.00 0.00 C ATOM 0 H LEU A 64 2.423 -2.493 6.164 1.00 0.00 H new ATOM 0 HA LEU A 64 1.677 -3.799 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.023 -3.010 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.109 -4.748 5.190 1.00 0.00 H new ATOM 0 HG LEU A 64 3.268 -3.739 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.643 -3.446 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.183 -2.278 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.145 -3.714 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.597 -5.714 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.102 -5.978 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.392 -6.164 3.004 1.00 0.00 H new ATOM 1010 N PRO A 65 1.113 -6.172 4.253 1.00 0.00 N ATOM 1011 CA PRO A 65 0.675 -7.533 4.542 1.00 0.00 C ATOM 1012 C PRO A 65 1.863 -8.506 4.507 1.00 0.00 C ATOM 1013 O PRO A 65 1.682 -9.706 4.490 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.301 -7.858 3.419 1.00 0.00 C ATOM 1015 CG PRO A 65 0.192 -6.964 2.237 1.00 0.00 C ATOM 1016 CD PRO A 65 0.820 -5.699 2.890 1.00 0.00 C ATOM 0 HA PRO A 65 0.228 -7.622 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.276 -8.916 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.328 -7.623 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.924 -7.493 1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.635 -6.694 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.720 -5.375 2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.130 -4.855 2.890 1.00 0.00 H new ATOM 1024 N GLU A 66 3.072 -7.995 4.488 1.00 0.00 N ATOM 1025 CA GLU A 66 4.288 -8.861 4.453 1.00 0.00 C ATOM 1026 C GLU A 66 4.435 -9.568 3.091 1.00 0.00 C ATOM 1027 O GLU A 66 5.492 -10.067 2.767 1.00 0.00 O ATOM 1028 CB GLU A 66 4.209 -9.885 5.587 1.00 0.00 C ATOM 1029 CG GLU A 66 5.187 -11.035 5.327 1.00 0.00 C ATOM 1030 CD GLU A 66 5.289 -11.911 6.578 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.991 -11.520 7.495 1.00 0.00 O ATOM 1032 OE2 GLU A 66 4.663 -12.958 6.596 1.00 0.00 O ATOM 0 H GLU A 66 3.267 -6.994 4.496 1.00 0.00 H new ATOM 0 HA GLU A 66 5.169 -8.234 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.444 -9.406 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.193 -10.272 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.847 -11.631 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.169 -10.640 5.066 1.00 0.00 H new ATOM 1039 N LYS A 67 3.412 -9.598 2.275 1.00 0.00 N ATOM 1040 CA LYS A 67 3.542 -10.266 0.946 1.00 0.00 C ATOM 1041 C LYS A 67 4.381 -9.397 0.001 1.00 0.00 C ATOM 1042 O LYS A 67 4.486 -9.673 -1.177 1.00 0.00 O ATOM 1043 CB LYS A 67 2.150 -10.474 0.344 1.00 0.00 C ATOM 1044 CG LYS A 67 2.121 -11.792 -0.433 1.00 0.00 C ATOM 1045 CD LYS A 67 2.301 -11.508 -1.926 1.00 0.00 C ATOM 1046 CE LYS A 67 1.948 -12.759 -2.730 1.00 0.00 C ATOM 1047 NZ LYS A 67 2.466 -12.619 -4.120 1.00 0.00 N ATOM 0 H LYS A 67 2.497 -9.191 2.471 1.00 0.00 H new ATOM 0 HA LYS A 67 4.035 -11.229 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.399 -10.489 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.901 -9.644 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.913 -12.452 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.176 -12.307 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.664 -10.677 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.330 -11.211 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.379 -13.642 -2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.867 -12.901 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.226 -13.470 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.035 -11.786 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.499 -12.503 -4.095 1.00 0.00 H new ATOM 1061 N LEU A 68 4.981 -8.353 0.505 1.00 0.00 N ATOM 1062 CA LEU A 68 5.812 -7.476 -0.364 1.00 0.00 C ATOM 1063 C LEU A 68 6.971 -6.915 0.462 1.00 0.00 C ATOM 1064 O LEU A 68 7.613 -5.960 0.077 1.00 0.00 O ATOM 1065 CB LEU A 68 4.957 -6.322 -0.893 1.00 0.00 C ATOM 1066 CG LEU A 68 3.544 -6.828 -1.189 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.741 -6.892 0.112 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.856 -5.871 -2.165 1.00 0.00 C ATOM 0 H LEU A 68 4.931 -8.070 1.484 1.00 0.00 H new ATOM 0 HA LEU A 68 6.200 -8.050 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.920 -5.517 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.404 -5.909 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 68 3.599 -7.823 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.734 -7.253 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.231 -7.572 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.685 -5.897 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.849 -6.230 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.801 -4.877 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.427 -5.824 -3.092 1.00 0.00 H new ATOM 1080 N ARG A 69 7.240 -7.502 1.598 1.00 0.00 N ATOM 1081 CA ARG A 69 8.356 -6.999 2.452 1.00 0.00 C ATOM 1082 C ARG A 69 9.573 -6.688 1.578 1.00 0.00 C ATOM 1083 O ARG A 69 10.069 -5.580 1.557 1.00 0.00 O ATOM 1084 CB ARG A 69 8.730 -8.067 3.482 1.00 0.00 C ATOM 1085 CG ARG A 69 9.106 -7.392 4.803 1.00 0.00 C ATOM 1086 CD ARG A 69 7.904 -7.414 5.748 1.00 0.00 C ATOM 1087 NE ARG A 69 8.294 -8.066 7.031 1.00 0.00 N ATOM 1088 CZ ARG A 69 7.897 -7.561 8.166 1.00 0.00 C ATOM 1089 NH1 ARG A 69 6.708 -7.031 8.263 1.00 0.00 N ATOM 1090 NH2 ARG A 69 8.688 -7.585 9.203 1.00 0.00 N ATOM 0 H ARG A 69 6.736 -8.307 1.971 1.00 0.00 H new ATOM 0 HA ARG A 69 8.037 -6.092 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.893 -8.749 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.565 -8.664 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.950 -7.908 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.421 -6.364 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.556 -6.398 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.077 -7.955 5.289 1.00 0.00 H new ATOM 0 HE ARG A 69 8.871 -8.907 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.090 -7.012 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.397 -6.636 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.617 -7.999 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.377 -7.190 10.091 1.00 0.00 H new ATOM 1104 N TYR A 70 10.059 -7.661 0.858 1.00 0.00 N ATOM 1105 CA TYR A 70 11.245 -7.425 -0.015 1.00 0.00 C ATOM 1106 C TYR A 70 11.081 -6.098 -0.759 1.00 0.00 C ATOM 1107 O TYR A 70 11.996 -5.302 -0.838 1.00 0.00 O ATOM 1108 CB TYR A 70 11.358 -8.564 -1.028 1.00 0.00 C ATOM 1109 CG TYR A 70 10.010 -8.814 -1.660 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.109 -9.704 -1.063 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.660 -8.153 -2.844 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.859 -9.933 -1.647 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.409 -8.384 -3.429 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.509 -9.272 -2.831 1.00 0.00 C ATOM 1115 OH TYR A 70 6.276 -9.499 -3.408 1.00 0.00 O ATOM 0 H TYR A 70 9.686 -8.610 0.836 1.00 0.00 H new ATOM 0 HA TYR A 70 12.146 -7.386 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.089 -8.311 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.713 -9.469 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.380 -10.214 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.354 -7.466 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.164 -10.619 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.139 -7.876 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 70 5.593 -9.558 -2.708 1.00 0.00 H new ATOM 1125 N LEU A 71 9.922 -5.856 -1.308 1.00 0.00 N ATOM 1126 CA LEU A 71 9.695 -4.585 -2.051 1.00 0.00 C ATOM 1127 C LEU A 71 9.868 -3.398 -1.099 1.00 0.00 C ATOM 1128 O LEU A 71 10.453 -2.391 -1.446 1.00 0.00 O ATOM 1129 CB LEU A 71 8.275 -4.581 -2.622 1.00 0.00 C ATOM 1130 CG LEU A 71 8.271 -5.247 -3.997 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.834 -5.594 -4.389 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.859 -4.283 -5.026 1.00 0.00 C ATOM 0 H LEU A 71 9.121 -6.486 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 71 10.416 -4.503 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.601 -5.110 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.908 -3.558 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 71 8.869 -6.157 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.829 -6.069 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.411 -6.277 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.236 -4.683 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.858 -4.755 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.258 -3.375 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.882 -4.031 -4.746 1.00 0.00 H new ATOM 1144 N ALA A 72 9.363 -3.508 0.099 1.00 0.00 N ATOM 1145 CA ALA A 72 9.497 -2.387 1.072 1.00 0.00 C ATOM 1146 C ALA A 72 10.947 -2.293 1.553 1.00 0.00 C ATOM 1147 O ALA A 72 11.345 -1.324 2.168 1.00 0.00 O ATOM 1148 CB ALA A 72 8.581 -2.642 2.270 1.00 0.00 C ATOM 0 H ALA A 72 8.863 -4.326 0.446 1.00 0.00 H new ATOM 0 HA ALA A 72 9.215 -1.452 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.678 -1.823 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.547 -2.707 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.864 -3.578 2.752 1.00 0.00 H new ATOM 1154 N ASP A 73 11.740 -3.294 1.282 1.00 0.00 N ATOM 1155 CA ASP A 73 13.161 -3.260 1.727 1.00 0.00 C ATOM 1156 C ASP A 73 14.043 -2.726 0.596 1.00 0.00 C ATOM 1157 O ASP A 73 15.212 -2.456 0.782 1.00 0.00 O ATOM 1158 CB ASP A 73 13.614 -4.672 2.103 1.00 0.00 C ATOM 1159 CG ASP A 73 13.083 -5.027 3.492 1.00 0.00 C ATOM 1160 OD1 ASP A 73 11.914 -4.781 3.739 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.854 -5.540 4.286 1.00 0.00 O ATOM 0 H ASP A 73 11.465 -4.133 0.772 1.00 0.00 H new ATOM 0 HA ASP A 73 13.250 -2.606 2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.249 -5.390 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.702 -4.731 2.092 1.00 0.00 H new ATOM 1166 N ALA A 74 13.491 -2.575 -0.577 1.00 0.00 N ATOM 1167 CA ALA A 74 14.300 -2.061 -1.718 1.00 0.00 C ATOM 1168 C ALA A 74 14.575 -0.566 -1.519 1.00 0.00 C ATOM 1169 O ALA A 74 13.975 0.064 -0.670 1.00 0.00 O ATOM 1170 CB ALA A 74 13.524 -2.263 -3.022 1.00 0.00 C ATOM 0 H ALA A 74 12.517 -2.785 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 74 15.245 -2.602 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.114 -1.888 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.325 -3.325 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.580 -1.720 -2.971 1.00 0.00 H new ATOM 1176 N PRO A 75 15.474 -0.040 -2.314 1.00 0.00 N ATOM 1177 CA PRO A 75 15.836 1.369 -2.247 1.00 0.00 C ATOM 1178 C PRO A 75 14.673 2.234 -2.741 1.00 0.00 C ATOM 1179 O PRO A 75 13.767 1.756 -3.393 1.00 0.00 O ATOM 1180 CB PRO A 75 17.042 1.501 -3.172 1.00 0.00 C ATOM 1181 CG PRO A 75 16.885 0.298 -4.154 1.00 0.00 C ATOM 1182 CD PRO A 75 16.187 -0.824 -3.334 1.00 0.00 C ATOM 0 HA PRO A 75 16.062 1.698 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.039 2.454 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.980 1.447 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.289 0.577 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.855 -0.034 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.507 -1.417 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.904 -1.516 -2.893 1.00 0.00 H new ATOM 1190 N GLN A 76 14.687 3.503 -2.433 1.00 0.00 N ATOM 1191 CA GLN A 76 13.574 4.384 -2.886 1.00 0.00 C ATOM 1192 C GLN A 76 14.133 5.678 -3.474 1.00 0.00 C ATOM 1193 O GLN A 76 13.589 6.745 -3.275 1.00 0.00 O ATOM 1194 CB GLN A 76 12.668 4.714 -1.698 1.00 0.00 C ATOM 1195 CG GLN A 76 13.466 5.490 -0.648 1.00 0.00 C ATOM 1196 CD GLN A 76 13.067 5.016 0.750 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.409 4.004 0.897 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.441 5.707 1.792 1.00 0.00 N ATOM 0 H GLN A 76 15.417 3.965 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 76 13.000 3.864 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.814 5.304 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.271 3.796 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.534 5.339 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.277 6.559 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.993 6.556 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.181 5.398 2.729 1.00 0.00 H new ATOM 1207 N GLN A 77 15.201 5.592 -4.219 1.00 0.00 N ATOM 1208 CA GLN A 77 15.775 6.818 -4.838 1.00 0.00 C ATOM 1209 C GLN A 77 17.217 6.554 -5.281 1.00 0.00 C ATOM 1210 O GLN A 77 17.746 7.246 -6.128 1.00 0.00 O ATOM 1211 CB GLN A 77 15.769 7.967 -3.826 1.00 0.00 C ATOM 1212 CG GLN A 77 16.099 7.426 -2.435 1.00 0.00 C ATOM 1213 CD GLN A 77 16.767 8.524 -1.605 1.00 0.00 C ATOM 1214 OE1 GLN A 77 16.186 9.567 -1.378 1.00 0.00 O ATOM 1215 NE2 GLN A 77 17.971 8.334 -1.140 1.00 0.00 N ATOM 0 H GLN A 77 15.700 4.726 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 77 15.169 7.088 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.498 8.724 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.793 8.452 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.189 7.085 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.761 6.564 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.459 7.459 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.424 9.061 -0.586 1.00 0.00 H new ATOM 1224 N ASP A 78 17.858 5.570 -4.710 1.00 0.00 N ATOM 1225 CA ASP A 78 19.271 5.272 -5.093 1.00 0.00 C ATOM 1226 C ASP A 78 20.208 6.263 -4.392 1.00 0.00 C ATOM 1227 O ASP A 78 19.777 7.307 -3.944 1.00 0.00 O ATOM 1228 CB ASP A 78 19.428 5.399 -6.611 1.00 0.00 C ATOM 1229 CG ASP A 78 20.132 4.156 -7.157 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.950 3.096 -6.581 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.845 4.288 -8.138 1.00 0.00 O ATOM 0 H ASP A 78 17.465 4.959 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 78 19.525 4.256 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.451 5.512 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.003 6.292 -6.854 1.00 0.00 H new ATOM 1236 N PRO A 79 21.467 5.903 -4.317 1.00 0.00 N ATOM 1237 CA PRO A 79 22.479 6.737 -3.675 1.00 0.00 C ATOM 1238 C PRO A 79 22.482 8.153 -4.264 1.00 0.00 C ATOM 1239 O PRO A 79 23.059 9.063 -3.702 1.00 0.00 O ATOM 1240 CB PRO A 79 23.799 6.032 -3.977 1.00 0.00 C ATOM 1241 CG PRO A 79 23.373 4.551 -4.216 1.00 0.00 C ATOM 1242 CD PRO A 79 21.963 4.630 -4.863 1.00 0.00 C ATOM 0 HA PRO A 79 22.298 6.852 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.289 6.455 -4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.500 6.119 -3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.078 4.040 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.346 3.994 -3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.010 4.640 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.333 3.787 -4.579 1.00 0.00 H new ATOM 1250 N GLU A 80 21.852 8.353 -5.392 1.00 0.00 N ATOM 1251 CA GLU A 80 21.837 9.714 -6.000 1.00 0.00 C ATOM 1252 C GLU A 80 20.643 10.504 -5.462 1.00 0.00 C ATOM 1253 O GLU A 80 20.759 11.664 -5.118 1.00 0.00 O ATOM 1254 CB GLU A 80 21.722 9.590 -7.521 1.00 0.00 C ATOM 1255 CG GLU A 80 21.940 10.962 -8.162 1.00 0.00 C ATOM 1256 CD GLU A 80 23.118 10.889 -9.136 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.460 9.790 -9.540 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.657 11.934 -9.462 1.00 0.00 O ATOM 0 H GLU A 80 21.350 7.636 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 80 22.760 10.235 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.460 8.880 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.740 9.202 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.039 11.277 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.137 11.708 -7.392 1.00 0.00 H new ATOM 1265 N GLY A 81 19.495 9.889 -5.382 1.00 0.00 N ATOM 1266 CA GLY A 81 18.299 10.611 -4.862 1.00 0.00 C ATOM 1267 C GLY A 81 17.113 10.386 -5.798 1.00 0.00 C ATOM 1268 O GLY A 81 15.981 10.296 -5.365 1.00 0.00 O ATOM 0 H GLY A 81 19.333 8.919 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.056 10.257 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.513 11.677 -4.780 1.00 0.00 H new ATOM 1272 N ASN A 82 17.357 10.292 -7.078 1.00 0.00 N ATOM 1273 CA ASN A 82 16.235 10.066 -8.031 1.00 0.00 C ATOM 1274 C ASN A 82 15.311 8.991 -7.460 1.00 0.00 C ATOM 1275 O ASN A 82 15.573 7.813 -7.592 1.00 0.00 O ATOM 1276 CB ASN A 82 16.787 9.604 -9.385 1.00 0.00 C ATOM 1277 CG ASN A 82 17.821 8.496 -9.173 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.355 8.339 -8.093 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.130 7.713 -10.171 1.00 0.00 N ATOM 0 H ASN A 82 18.282 10.362 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 82 15.681 10.994 -8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.975 9.240 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.243 10.445 -9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.818 6.971 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.683 7.843 -11.079 1.00 0.00 H new ATOM 1286 N LYS A 83 14.245 9.402 -6.814 1.00 0.00 N ATOM 1287 CA LYS A 83 13.286 8.430 -6.201 1.00 0.00 C ATOM 1288 C LYS A 83 13.238 7.138 -7.003 1.00 0.00 C ATOM 1289 O LYS A 83 13.431 7.125 -8.201 1.00 0.00 O ATOM 1290 CB LYS A 83 11.895 9.048 -6.157 1.00 0.00 C ATOM 1291 CG LYS A 83 11.823 10.007 -4.971 1.00 0.00 C ATOM 1292 CD LYS A 83 10.451 9.894 -4.307 1.00 0.00 C ATOM 1293 CE LYS A 83 9.737 11.245 -4.374 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.944 11.981 -3.096 1.00 0.00 N ATOM 0 H LYS A 83 13.997 10.383 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 83 13.625 8.201 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.688 9.579 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.138 8.269 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.607 9.772 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.994 11.030 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.855 9.131 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.563 9.581 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.121 11.830 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.672 11.097 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.458 12.900 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.557 11.424 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.961 12.134 -2.945 1.00 0.00 H new ATOM 1308 N THR A 84 12.991 6.045 -6.344 1.00 0.00 N ATOM 1309 CA THR A 84 12.942 4.746 -7.057 1.00 0.00 C ATOM 1310 C THR A 84 11.667 4.008 -6.661 1.00 0.00 C ATOM 1311 O THR A 84 11.397 3.794 -5.496 1.00 0.00 O ATOM 1312 CB THR A 84 14.172 3.926 -6.672 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.270 4.800 -6.462 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.516 2.960 -7.794 1.00 0.00 C ATOM 0 H THR A 84 12.821 5.996 -5.340 1.00 0.00 H new ATOM 0 HA THR A 84 12.939 4.903 -8.136 1.00 0.00 H new ATOM 0 HB THR A 84 13.961 3.366 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.812 4.847 -7.277 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.394 2.377 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.675 2.289 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.727 3.520 -8.705 1.00 0.00 H new ATOM 1322 N MET A 85 10.872 3.630 -7.621 1.00 0.00 N ATOM 1323 CA MET A 85 9.604 2.920 -7.294 1.00 0.00 C ATOM 1324 C MET A 85 9.726 1.437 -7.640 1.00 0.00 C ATOM 1325 O MET A 85 10.797 0.939 -7.924 1.00 0.00 O ATOM 1326 CB MET A 85 8.444 3.555 -8.074 1.00 0.00 C ATOM 1327 CG MET A 85 8.388 2.980 -9.489 1.00 0.00 C ATOM 1328 SD MET A 85 6.934 3.624 -10.346 1.00 0.00 S ATOM 1329 CE MET A 85 6.019 2.066 -10.386 1.00 0.00 C ATOM 0 H MET A 85 11.044 3.781 -8.615 1.00 0.00 H new ATOM 0 HA MET A 85 9.407 3.010 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.502 3.366 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.573 4.636 -8.117 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.293 3.245 -10.036 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.347 1.892 -9.449 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.950 2.273 -10.436 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.319 1.490 -11.262 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.236 1.494 -9.484 1.00 0.00 H new ATOM 1339 N VAL A 86 8.635 0.728 -7.602 1.00 0.00 N ATOM 1340 CA VAL A 86 8.680 -0.725 -7.912 1.00 0.00 C ATOM 1341 C VAL A 86 8.364 -0.967 -9.393 1.00 0.00 C ATOM 1342 O VAL A 86 7.802 -0.133 -10.073 1.00 0.00 O ATOM 1343 CB VAL A 86 7.650 -1.454 -7.044 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.395 -2.856 -7.604 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.183 -1.565 -5.613 1.00 0.00 C ATOM 0 H VAL A 86 7.712 1.093 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 86 9.680 -1.103 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 86 6.715 -0.893 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.661 -3.369 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.015 -2.777 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.327 -3.422 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.453 -2.083 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.119 -2.124 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.358 -0.567 -5.211 1.00 0.00 H new ATOM 1355 N ARG A 87 8.721 -2.124 -9.877 1.00 0.00 N ATOM 1356 CA ARG A 87 8.452 -2.498 -11.295 1.00 0.00 C ATOM 1357 C ARG A 87 8.272 -4.015 -11.335 1.00 0.00 C ATOM 1358 O ARG A 87 8.183 -4.658 -10.308 1.00 0.00 O ATOM 1359 CB ARG A 87 9.634 -2.119 -12.200 1.00 0.00 C ATOM 1360 CG ARG A 87 10.059 -0.673 -11.942 1.00 0.00 C ATOM 1361 CD ARG A 87 9.082 0.270 -12.644 1.00 0.00 C ATOM 1362 NE ARG A 87 9.827 1.434 -13.199 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.951 1.574 -14.491 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.945 2.009 -15.199 1.00 0.00 N ATOM 1365 NH2 ARG A 87 11.080 1.278 -15.073 1.00 0.00 N ATOM 0 H ARG A 87 9.200 -2.844 -9.336 1.00 0.00 H new ATOM 0 HA ARG A 87 7.567 -1.971 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.473 -2.790 -12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.353 -2.241 -13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.073 -0.471 -10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.071 -0.507 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.562 -0.257 -13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.322 0.612 -11.941 1.00 0.00 H new ATOM 0 HE ARG A 87 10.240 2.122 -12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.062 2.240 -14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.041 2.119 -16.209 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.866 0.937 -14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.177 1.387 -16.082 1.00 0.00 H new ATOM 1379 N PHE A 88 8.235 -4.601 -12.494 1.00 0.00 N ATOM 1380 CA PHE A 88 8.084 -6.082 -12.552 1.00 0.00 C ATOM 1381 C PHE A 88 8.858 -6.647 -13.742 1.00 0.00 C ATOM 1382 O PHE A 88 9.134 -5.961 -14.706 1.00 0.00 O ATOM 1383 CB PHE A 88 6.612 -6.468 -12.695 1.00 0.00 C ATOM 1384 CG PHE A 88 6.531 -7.963 -12.891 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.639 -8.508 -14.176 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.368 -8.804 -11.784 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.581 -9.895 -14.354 1.00 0.00 C ATOM 1388 CE2 PHE A 88 6.313 -10.191 -11.963 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.420 -10.735 -13.247 1.00 0.00 C ATOM 0 H PHE A 88 8.302 -4.128 -13.395 1.00 0.00 H new ATOM 0 HA PHE A 88 8.479 -6.496 -11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.053 -6.171 -11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.164 -5.949 -13.542 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.767 -7.859 -15.029 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.285 -8.383 -10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.660 -10.316 -15.345 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.188 -10.841 -11.110 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.378 -11.805 -13.384 1.00 0.00 H new ATOM 1399 N SER A 89 9.192 -7.905 -13.679 1.00 0.00 N ATOM 1400 CA SER A 89 9.933 -8.545 -14.797 1.00 0.00 C ATOM 1401 C SER A 89 9.396 -9.963 -14.988 1.00 0.00 C ATOM 1402 O SER A 89 9.314 -10.735 -14.052 1.00 0.00 O ATOM 1403 CB SER A 89 11.423 -8.600 -14.461 1.00 0.00 C ATOM 1404 OG SER A 89 11.656 -7.902 -13.244 1.00 0.00 O ATOM 0 H SER A 89 8.981 -8.521 -12.894 1.00 0.00 H new ATOM 0 HA SER A 89 9.798 -7.969 -15.712 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.749 -9.636 -14.368 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.006 -8.154 -15.267 1.00 0.00 H new ATOM 0 HG SER A 89 12.611 -7.937 -13.025 1.00 0.00 H new ATOM 1410 N ARG A 90 9.023 -10.315 -16.185 1.00 0.00 N ATOM 1411 CA ARG A 90 8.486 -11.685 -16.419 1.00 0.00 C ATOM 1412 C ARG A 90 9.641 -12.629 -16.750 1.00 0.00 C ATOM 1413 O ARG A 90 9.573 -13.817 -16.504 1.00 0.00 O ATOM 1414 CB ARG A 90 7.493 -11.657 -17.582 1.00 0.00 C ATOM 1415 CG ARG A 90 8.197 -11.150 -18.840 1.00 0.00 C ATOM 1416 CD ARG A 90 7.193 -11.068 -19.992 1.00 0.00 C ATOM 1417 NE ARG A 90 7.158 -12.369 -20.716 1.00 0.00 N ATOM 1418 CZ ARG A 90 6.237 -12.592 -21.614 1.00 0.00 C ATOM 1419 NH1 ARG A 90 5.009 -12.835 -21.243 1.00 0.00 N ATOM 1420 NH2 ARG A 90 6.544 -12.573 -22.882 1.00 0.00 N ATOM 0 H ARG A 90 9.066 -9.717 -17.010 1.00 0.00 H new ATOM 0 HA ARG A 90 7.975 -12.035 -15.522 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.090 -12.655 -17.755 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.650 -11.011 -17.339 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.634 -10.169 -18.654 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.016 -11.818 -19.105 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.202 -10.827 -19.608 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.473 -10.267 -20.676 1.00 0.00 H new ATOM 0 HE ARG A 90 7.854 -13.086 -20.510 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.769 -12.851 -20.252 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.289 -13.009 -21.944 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.504 -12.384 -23.172 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.824 -12.747 -23.584 1.00 0.00 H new ATOM 1434 N LYS A 91 10.710 -12.111 -17.292 1.00 0.00 N ATOM 1435 CA LYS A 91 11.868 -12.987 -17.617 1.00 0.00 C ATOM 1436 C LYS A 91 12.197 -13.832 -16.389 1.00 0.00 C ATOM 1437 O LYS A 91 12.709 -14.929 -16.490 1.00 0.00 O ATOM 1438 CB LYS A 91 13.077 -12.124 -17.984 1.00 0.00 C ATOM 1439 CG LYS A 91 12.660 -11.068 -19.007 1.00 0.00 C ATOM 1440 CD LYS A 91 13.057 -9.680 -18.500 1.00 0.00 C ATOM 1441 CE LYS A 91 11.943 -9.125 -17.609 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.079 -7.644 -17.508 1.00 0.00 N ATOM 0 H LYS A 91 10.830 -11.125 -17.522 1.00 0.00 H new ATOM 0 HA LYS A 91 11.623 -13.632 -18.460 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.477 -11.643 -17.092 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.871 -12.748 -18.393 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.138 -11.267 -19.966 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.584 -11.112 -19.172 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.990 -9.739 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.232 -9.010 -19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.969 -9.384 -18.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.998 -9.574 -16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.227 -7.247 -17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.912 -7.410 -16.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.193 -7.240 -18.460 1.00 0.00 H new ATOM 1456 N THR A 92 11.895 -13.325 -15.223 1.00 0.00 N ATOM 1457 CA THR A 92 12.177 -14.089 -13.977 1.00 0.00 C ATOM 1458 C THR A 92 10.916 -14.130 -13.113 1.00 0.00 C ATOM 1459 O THR A 92 10.896 -14.726 -12.055 1.00 0.00 O ATOM 1460 CB THR A 92 13.300 -13.402 -13.197 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.996 -12.021 -13.051 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.619 -13.557 -13.952 1.00 0.00 C ATOM 0 H THR A 92 11.464 -12.411 -15.082 1.00 0.00 H new ATOM 0 HA THR A 92 12.481 -15.104 -14.235 1.00 0.00 H new ATOM 0 HB THR A 92 13.392 -13.862 -12.213 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.156 -11.747 -12.124 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.417 -13.067 -13.394 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.852 -14.616 -14.064 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.530 -13.099 -14.937 1.00 0.00 H new ATOM 1470 N LYS A 93 9.862 -13.494 -13.551 1.00 0.00 N ATOM 1471 CA LYS A 93 8.610 -13.493 -12.748 1.00 0.00 C ATOM 1472 C LYS A 93 8.914 -12.949 -11.353 1.00 0.00 C ATOM 1473 O LYS A 93 8.596 -13.564 -10.354 1.00 0.00 O ATOM 1474 CB LYS A 93 8.072 -14.921 -12.636 1.00 0.00 C ATOM 1475 CG LYS A 93 6.651 -14.978 -13.201 1.00 0.00 C ATOM 1476 CD LYS A 93 5.866 -16.089 -12.501 1.00 0.00 C ATOM 1477 CE LYS A 93 5.536 -17.193 -13.507 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.072 -17.472 -13.477 1.00 0.00 N ATOM 0 H LYS A 93 9.816 -12.977 -14.429 1.00 0.00 H new ATOM 0 HA LYS A 93 7.862 -12.866 -13.233 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.719 -15.608 -13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.073 -15.241 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.152 -14.020 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.683 -15.162 -14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.450 -16.497 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.948 -15.686 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.838 -16.889 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.094 -18.098 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.848 -18.223 -14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.797 -17.780 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.549 -16.609 -13.727 1.00 0.00 H new ATOM 1492 N GLN A 94 9.537 -11.803 -11.272 1.00 0.00 N ATOM 1493 CA GLN A 94 9.867 -11.235 -9.935 1.00 0.00 C ATOM 1494 C GLN A 94 9.612 -9.726 -9.924 1.00 0.00 C ATOM 1495 O GLN A 94 9.034 -9.173 -10.838 1.00 0.00 O ATOM 1496 CB GLN A 94 11.339 -11.500 -9.623 1.00 0.00 C ATOM 1497 CG GLN A 94 11.591 -13.007 -9.624 1.00 0.00 C ATOM 1498 CD GLN A 94 13.063 -13.281 -9.934 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.726 -12.473 -10.555 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.608 -14.395 -9.525 1.00 0.00 N ATOM 0 H GLN A 94 9.830 -11.239 -12.070 1.00 0.00 H new ATOM 0 HA GLN A 94 9.236 -11.708 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.973 -11.013 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.599 -11.077 -8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.328 -13.430 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.956 -13.491 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.052 -15.073 -9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.589 -14.587 -9.727 1.00 0.00 H new ATOM 1509 N GLN A 95 10.045 -9.057 -8.887 1.00 0.00 N ATOM 1510 CA GLN A 95 9.837 -7.583 -8.801 1.00 0.00 C ATOM 1511 C GLN A 95 11.182 -6.864 -8.928 1.00 0.00 C ATOM 1512 O GLN A 95 12.211 -7.368 -8.521 1.00 0.00 O ATOM 1513 CB GLN A 95 9.208 -7.227 -7.449 1.00 0.00 C ATOM 1514 CG GLN A 95 7.930 -6.420 -7.677 1.00 0.00 C ATOM 1515 CD GLN A 95 6.940 -7.253 -8.491 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.260 -8.337 -8.933 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.740 -6.787 -8.708 1.00 0.00 N ATOM 0 H GLN A 95 10.535 -9.471 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 95 9.175 -7.271 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.982 -8.135 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.912 -6.651 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.487 -6.142 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.161 -5.494 -8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.472 -5.876 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.071 -7.334 -9.249 1.00 0.00 H new ATOM 1526 N TYR A 96 11.177 -5.682 -9.479 1.00 0.00 N ATOM 1527 CA TYR A 96 12.446 -4.915 -9.624 1.00 0.00 C ATOM 1528 C TYR A 96 12.130 -3.418 -9.520 1.00 0.00 C ATOM 1529 O TYR A 96 11.187 -2.941 -10.105 1.00 0.00 O ATOM 1530 CB TYR A 96 13.097 -5.248 -10.981 1.00 0.00 C ATOM 1531 CG TYR A 96 12.583 -4.328 -12.068 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.124 -3.044 -12.208 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.576 -4.761 -12.938 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.657 -2.195 -13.218 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.108 -3.911 -13.947 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.649 -2.628 -14.088 1.00 0.00 C ATOM 1537 OH TYR A 96 11.190 -1.790 -15.083 1.00 0.00 O ATOM 0 H TYR A 96 10.345 -5.212 -9.837 1.00 0.00 H new ATOM 0 HA TYR A 96 13.147 -5.186 -8.835 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.180 -5.154 -10.902 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.885 -6.284 -11.246 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.901 -2.709 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.160 -5.752 -12.831 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.075 -1.205 -13.326 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.329 -4.245 -14.617 1.00 0.00 H new ATOM 0 HH TYR A 96 10.491 -2.245 -15.598 1.00 0.00 H new ATOM 1547 N VAL A 97 12.899 -2.672 -8.777 1.00 0.00 N ATOM 1548 CA VAL A 97 12.607 -1.211 -8.647 1.00 0.00 C ATOM 1549 C VAL A 97 13.328 -0.442 -9.752 1.00 0.00 C ATOM 1550 O VAL A 97 14.208 -0.959 -10.410 1.00 0.00 O ATOM 1551 CB VAL A 97 13.086 -0.702 -7.284 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.041 -1.032 -6.220 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.412 -1.372 -6.921 1.00 0.00 C ATOM 0 H VAL A 97 13.711 -3.004 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 97 11.532 -1.056 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 97 13.228 0.378 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.382 -0.670 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.097 -0.551 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.897 -2.111 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.750 -1.008 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.273 -2.452 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.159 -1.134 -7.678 1.00 0.00 H new ATOM 1563 N SER A 98 12.957 0.791 -9.962 1.00 0.00 N ATOM 1564 CA SER A 98 13.615 1.600 -11.026 1.00 0.00 C ATOM 1565 C SER A 98 13.590 3.080 -10.632 1.00 0.00 C ATOM 1566 O SER A 98 12.546 3.644 -10.367 1.00 0.00 O ATOM 1567 CB SER A 98 12.862 1.409 -12.342 1.00 0.00 C ATOM 1568 OG SER A 98 12.945 2.604 -13.108 1.00 0.00 O ATOM 0 H SER A 98 12.225 1.274 -9.441 1.00 0.00 H new ATOM 0 HA SER A 98 14.649 1.276 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.288 0.575 -12.900 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.819 1.161 -12.145 1.00 0.00 H new ATOM 0 HG SER A 98 13.886 2.824 -13.270 1.00 0.00 H new ATOM 1574 N SER A 99 14.730 3.712 -10.594 1.00 0.00 N ATOM 1575 CA SER A 99 14.773 5.155 -10.221 1.00 0.00 C ATOM 1576 C SER A 99 14.010 5.968 -11.270 1.00 0.00 C ATOM 1577 O SER A 99 13.670 5.472 -12.326 1.00 0.00 O ATOM 1578 CB SER A 99 16.226 5.631 -10.168 1.00 0.00 C ATOM 1579 OG SER A 99 16.979 4.750 -9.345 1.00 0.00 O ATOM 0 H SER A 99 15.635 3.292 -10.805 1.00 0.00 H new ATOM 0 HA SER A 99 14.314 5.291 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.648 5.659 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.274 6.646 -9.774 1.00 0.00 H new ATOM 0 HG SER A 99 17.836 5.168 -9.117 1.00 0.00 H new ATOM 1585 N GLU A 100 13.740 7.213 -10.990 1.00 0.00 N ATOM 1586 CA GLU A 100 13.002 8.055 -11.974 1.00 0.00 C ATOM 1587 C GLU A 100 13.430 9.515 -11.816 1.00 0.00 C ATOM 1588 O GLU A 100 14.211 9.852 -10.948 1.00 0.00 O ATOM 1589 CB GLU A 100 11.497 7.934 -11.722 1.00 0.00 C ATOM 1590 CG GLU A 100 10.937 6.754 -12.518 1.00 0.00 C ATOM 1591 CD GLU A 100 9.446 6.595 -12.216 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.914 7.431 -11.504 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.861 5.641 -12.703 1.00 0.00 O ATOM 0 H GLU A 100 13.998 7.684 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 100 13.229 7.717 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.306 7.791 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.994 8.855 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.087 6.918 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.471 5.840 -12.258 1.00 0.00 H new ATOM 1600 N LYS A 101 12.924 10.386 -12.644 1.00 0.00 N ATOM 1601 CA LYS A 101 13.302 11.821 -12.537 1.00 0.00 C ATOM 1602 C LYS A 101 12.252 12.690 -13.230 1.00 0.00 C ATOM 1603 O LYS A 101 12.404 13.075 -14.372 1.00 0.00 O ATOM 1604 CB LYS A 101 14.655 12.043 -13.188 1.00 0.00 C ATOM 1605 CG LYS A 101 15.599 12.576 -12.117 1.00 0.00 C ATOM 1606 CD LYS A 101 16.469 13.676 -12.709 1.00 0.00 C ATOM 1607 CE LYS A 101 17.922 13.203 -12.780 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.829 14.385 -12.794 1.00 0.00 N ATOM 0 H LYS A 101 12.265 10.165 -13.390 1.00 0.00 H new ATOM 0 HA LYS A 101 13.356 12.097 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.037 11.111 -13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.572 12.751 -14.012 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.027 12.964 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.224 11.769 -11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.113 13.938 -13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.399 14.576 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.150 12.566 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.077 12.602 -13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.817 14.064 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.616 14.976 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.688 14.941 -11.927 1.00 0.00 H new ATOM 1622 N ASP A 102 11.184 13.003 -12.547 1.00 0.00 N ATOM 1623 CA ASP A 102 10.123 13.847 -13.166 1.00 0.00 C ATOM 1624 C ASP A 102 9.304 13.005 -14.147 1.00 0.00 C ATOM 1625 O ASP A 102 8.375 13.485 -14.765 1.00 0.00 O ATOM 1626 CB ASP A 102 10.772 15.013 -13.914 1.00 0.00 C ATOM 1627 CG ASP A 102 11.974 15.526 -13.117 1.00 0.00 C ATOM 1628 OD1 ASP A 102 11.761 16.062 -12.042 1.00 0.00 O ATOM 1629 OD2 ASP A 102 13.085 15.374 -13.595 1.00 0.00 O ATOM 0 H ASP A 102 11.001 12.711 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 102 9.467 14.234 -12.386 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.090 14.691 -14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.048 15.815 -14.057 1.00 0.00 H new ATOM 1634 N GLY A 103 9.638 11.751 -14.294 1.00 0.00 N ATOM 1635 CA GLY A 103 8.875 10.883 -15.236 1.00 0.00 C ATOM 1636 C GLY A 103 9.702 10.653 -16.502 1.00 0.00 C ATOM 1637 O GLY A 103 9.209 10.772 -17.606 1.00 0.00 O ATOM 0 H GLY A 103 10.405 11.291 -13.803 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.644 9.929 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.924 11.352 -15.490 1.00 0.00 H new ATOM 1641 N LYS A 104 10.956 10.325 -16.351 1.00 0.00 N ATOM 1642 CA LYS A 104 11.813 10.089 -17.546 1.00 0.00 C ATOM 1643 C LYS A 104 12.538 8.750 -17.398 1.00 0.00 C ATOM 1644 O LYS A 104 13.408 8.415 -18.177 1.00 0.00 O ATOM 1645 CB LYS A 104 12.843 11.214 -17.665 1.00 0.00 C ATOM 1646 CG LYS A 104 13.761 11.197 -16.441 1.00 0.00 C ATOM 1647 CD LYS A 104 14.969 12.101 -16.696 1.00 0.00 C ATOM 1648 CE LYS A 104 14.535 13.566 -16.624 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.616 14.374 -15.994 1.00 0.00 N ATOM 0 H LYS A 104 11.424 10.210 -15.452 1.00 0.00 H new ATOM 0 HA LYS A 104 11.190 10.069 -18.440 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.430 11.089 -18.575 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.338 12.177 -17.741 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.217 11.539 -15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.092 10.179 -16.236 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.746 11.904 -15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.398 11.885 -17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.321 13.942 -17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.615 13.656 -16.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.243 14.854 -15.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.401 13.749 -15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.960 15.083 -16.673 1.00 0.00 H new ATOM 1663 N ALA A 105 12.191 7.981 -16.401 1.00 0.00 N ATOM 1664 CA ALA A 105 12.865 6.667 -16.205 1.00 0.00 C ATOM 1665 C ALA A 105 14.374 6.839 -16.387 1.00 0.00 C ATOM 1666 O ALA A 105 14.938 6.444 -17.389 1.00 0.00 O ATOM 1667 CB ALA A 105 12.337 5.664 -17.234 1.00 0.00 C ATOM 0 H ALA A 105 11.471 8.206 -15.715 1.00 0.00 H new ATOM 0 HA ALA A 105 12.659 6.298 -15.200 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.830 4.702 -17.091 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.261 5.543 -17.106 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.543 6.031 -18.239 1.00 0.00 H new ATOM 1673 N THR A 106 15.031 7.428 -15.426 1.00 0.00 N ATOM 1674 CA THR A 106 16.503 7.629 -15.542 1.00 0.00 C ATOM 1675 C THR A 106 17.153 6.356 -16.091 1.00 0.00 C ATOM 1676 O THR A 106 18.123 6.410 -16.821 1.00 0.00 O ATOM 1677 CB THR A 106 17.083 7.944 -14.161 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.312 7.286 -13.165 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.045 9.455 -13.923 1.00 0.00 C ATOM 0 H THR A 106 14.612 7.779 -14.565 1.00 0.00 H new ATOM 0 HA THR A 106 16.704 8.458 -16.220 1.00 0.00 H new ATOM 0 HB THR A 106 18.115 7.596 -14.111 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.066 7.927 -12.465 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.458 9.679 -12.939 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.636 9.959 -14.688 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.014 9.805 -13.972 1.00 0.00 H new ATOM 1687 N GLY A 107 16.628 5.213 -15.745 1.00 0.00 N ATOM 1688 CA GLY A 107 17.218 3.940 -16.248 1.00 0.00 C ATOM 1689 C GLY A 107 17.510 3.011 -15.068 1.00 0.00 C ATOM 1690 O GLY A 107 17.367 1.809 -15.163 1.00 0.00 O ATOM 0 H GLY A 107 15.817 5.105 -15.136 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.530 3.458 -16.943 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.136 4.145 -16.799 1.00 0.00 H new ATOM 1694 N TRP A 108 17.921 3.560 -13.957 1.00 0.00 N ATOM 1695 CA TRP A 108 18.222 2.709 -12.771 1.00 0.00 C ATOM 1696 C TRP A 108 17.127 1.654 -12.609 1.00 0.00 C ATOM 1697 O TRP A 108 15.951 1.957 -12.639 1.00 0.00 O ATOM 1698 CB TRP A 108 18.274 3.585 -11.519 1.00 0.00 C ATOM 1699 CG TRP A 108 18.977 2.854 -10.421 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.314 2.866 -10.215 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.410 2.010 -9.374 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.605 2.083 -9.113 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.466 1.535 -8.560 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.098 1.611 -9.055 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.230 0.700 -7.469 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.858 0.769 -7.956 1.00 0.00 C ATOM 1707 CH2 TRP A 108 17.922 0.316 -7.166 1.00 0.00 C ATOM 0 H TRP A 108 18.061 4.561 -13.820 1.00 0.00 H new ATOM 0 HA TRP A 108 19.184 2.215 -12.911 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.793 4.518 -11.738 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.264 3.848 -11.205 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.037 3.400 -10.814 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.547 1.929 -8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.271 1.954 -9.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.053 0.352 -6.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.848 0.470 -7.719 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.731 -0.330 -6.322 1.00 0.00 H new ATOM 1718 N SER A 109 17.505 0.419 -12.434 1.00 0.00 N ATOM 1719 CA SER A 109 16.488 -0.656 -12.267 1.00 0.00 C ATOM 1720 C SER A 109 17.080 -1.783 -11.417 1.00 0.00 C ATOM 1721 O SER A 109 17.811 -2.621 -11.907 1.00 0.00 O ATOM 1722 CB SER A 109 16.098 -1.207 -13.640 1.00 0.00 C ATOM 1723 OG SER A 109 17.085 -2.133 -14.072 1.00 0.00 O ATOM 0 H SER A 109 18.476 0.107 -12.399 1.00 0.00 H new ATOM 0 HA SER A 109 15.605 -0.250 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.125 -1.694 -13.586 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.007 -0.393 -14.359 1.00 0.00 H new ATOM 0 HG SER A 109 17.113 -2.893 -13.454 1.00 0.00 H new ATOM 1729 N ALA A 110 16.777 -1.811 -10.148 1.00 0.00 N ATOM 1730 CA ALA A 110 17.330 -2.886 -9.278 1.00 0.00 C ATOM 1731 C ALA A 110 16.383 -4.085 -9.287 1.00 0.00 C ATOM 1732 O ALA A 110 15.196 -3.949 -9.508 1.00 0.00 O ATOM 1733 CB ALA A 110 17.476 -2.365 -7.848 1.00 0.00 C ATOM 0 H ALA A 110 16.172 -1.138 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 110 18.307 -3.189 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.881 -3.153 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.151 -1.510 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.500 -2.060 -7.470 1.00 0.00 H new ATOM 1739 N PHE A 111 16.899 -5.259 -9.055 1.00 0.00 N ATOM 1740 CA PHE A 111 16.028 -6.470 -9.055 1.00 0.00 C ATOM 1741 C PHE A 111 16.100 -7.157 -7.692 1.00 0.00 C ATOM 1742 O PHE A 111 17.039 -6.980 -6.948 1.00 0.00 O ATOM 1743 CB PHE A 111 16.504 -7.439 -10.141 1.00 0.00 C ATOM 1744 CG PHE A 111 16.974 -6.658 -11.345 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.218 -6.018 -11.322 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.165 -6.577 -12.486 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.655 -5.296 -12.437 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.603 -5.855 -13.603 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.847 -5.214 -13.579 1.00 0.00 C ATOM 0 H PHE A 111 17.886 -5.434 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 111 14.998 -6.174 -9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.314 -8.060 -9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.694 -8.111 -10.424 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.841 -6.082 -10.442 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.205 -7.071 -12.504 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.615 -4.802 -12.418 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.981 -5.793 -14.483 1.00 0.00 H new ATOM 0 HZ PHE A 111 18.184 -4.656 -14.440 1.00 0.00 H new ATOM 1759 N TYR A 112 15.115 -7.941 -7.356 1.00 0.00 N ATOM 1760 CA TYR A 112 15.140 -8.634 -6.038 1.00 0.00 C ATOM 1761 C TYR A 112 15.590 -10.082 -6.233 1.00 0.00 C ATOM 1762 O TYR A 112 14.894 -10.883 -6.826 1.00 0.00 O ATOM 1763 CB TYR A 112 13.739 -8.616 -5.423 1.00 0.00 C ATOM 1764 CG TYR A 112 13.833 -8.929 -3.950 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.577 -8.097 -3.105 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.175 -10.048 -3.428 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.663 -8.384 -1.737 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.261 -10.335 -2.060 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.004 -9.502 -1.215 1.00 0.00 C ATOM 1770 OH TYR A 112 14.086 -9.784 0.134 1.00 0.00 O ATOM 0 H TYR A 112 14.297 -8.132 -7.934 1.00 0.00 H new ATOM 0 HA TYR A 112 15.835 -8.122 -5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.278 -7.639 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.102 -9.347 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.085 -7.233 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.601 -10.690 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.238 -7.743 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.754 -11.199 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 112 13.570 -10.594 0.331 1.00 0.00 H new ATOM 1780 N VAL A 113 16.743 -10.431 -5.732 1.00 0.00 N ATOM 1781 CA VAL A 113 17.223 -11.826 -5.885 1.00 0.00 C ATOM 1782 C VAL A 113 16.881 -12.592 -4.606 1.00 0.00 C ATOM 1783 O VAL A 113 15.880 -12.328 -3.980 1.00 0.00 O ATOM 1784 CB VAL A 113 18.739 -11.839 -6.126 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.125 -13.133 -6.843 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.144 -10.647 -7.006 1.00 0.00 C ATOM 0 H VAL A 113 17.371 -9.808 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 113 16.741 -12.298 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 113 19.251 -11.772 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.201 -13.146 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.846 -13.988 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.603 -13.189 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.221 -10.666 -7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.629 -10.711 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.869 -9.717 -6.508 1.00 0.00 H new ATOM 1796 N ASP A 114 17.709 -13.504 -4.188 1.00 0.00 N ATOM 1797 CA ASP A 114 17.412 -14.254 -2.933 1.00 0.00 C ATOM 1798 C ASP A 114 17.559 -13.267 -1.796 1.00 0.00 C ATOM 1799 O ASP A 114 18.626 -13.115 -1.235 1.00 0.00 O ATOM 1800 CB ASP A 114 18.410 -15.401 -2.761 1.00 0.00 C ATOM 1801 CG ASP A 114 17.778 -16.705 -3.255 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.674 -17.003 -2.831 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.409 -17.382 -4.050 1.00 0.00 O ATOM 0 H ASP A 114 18.577 -13.764 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 114 16.410 -14.682 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.322 -15.191 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.694 -15.496 -1.713 1.00 0.00 H new ATOM 1808 N GLY A 115 16.521 -12.533 -1.494 1.00 0.00 N ATOM 1809 CA GLY A 115 16.665 -11.495 -0.449 1.00 0.00 C ATOM 1810 C GLY A 115 17.910 -10.705 -0.834 1.00 0.00 C ATOM 1811 O GLY A 115 18.606 -10.154 -0.004 1.00 0.00 O ATOM 0 H GLY A 115 15.598 -12.609 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.787 -10.851 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.774 -11.944 0.538 1.00 0.00 H new ATOM 1815 N LYS A 116 18.215 -10.698 -2.115 1.00 0.00 N ATOM 1816 CA LYS A 116 19.442 -10.003 -2.586 1.00 0.00 C ATOM 1817 C LYS A 116 19.118 -8.990 -3.683 1.00 0.00 C ATOM 1818 O LYS A 116 19.291 -9.265 -4.852 1.00 0.00 O ATOM 1819 CB LYS A 116 20.418 -11.039 -3.147 1.00 0.00 C ATOM 1820 CG LYS A 116 21.596 -11.207 -2.184 1.00 0.00 C ATOM 1821 CD LYS A 116 21.174 -12.097 -1.013 1.00 0.00 C ATOM 1822 CE LYS A 116 22.333 -12.221 -0.022 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.997 -10.896 0.135 1.00 0.00 N ATOM 0 H LYS A 116 17.663 -11.145 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 116 19.882 -9.473 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.911 -11.993 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.778 -10.722 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.445 -11.651 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.921 -10.234 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.301 -11.673 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.886 -13.083 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.965 -12.572 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.051 -12.960 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.580 -10.900 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.601 -10.711 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.274 -10.152 0.209 1.00 0.00 H new ATOM 1837 N TRP A 117 18.672 -7.816 -3.334 1.00 0.00 N ATOM 1838 CA TRP A 117 18.376 -6.815 -4.394 1.00 0.00 C ATOM 1839 C TRP A 117 19.570 -6.746 -5.350 1.00 0.00 C ATOM 1840 O TRP A 117 20.600 -7.344 -5.111 1.00 0.00 O ATOM 1841 CB TRP A 117 18.147 -5.444 -3.762 1.00 0.00 C ATOM 1842 CG TRP A 117 16.699 -5.292 -3.429 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.189 -5.303 -2.178 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.568 -5.107 -4.332 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.819 -5.138 -2.252 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.388 -5.009 -3.557 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.449 -5.013 -5.733 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.137 -4.826 -4.147 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.193 -4.828 -6.327 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.040 -4.733 -5.536 1.00 0.00 C ATOM 0 H TRP A 117 18.502 -7.510 -2.376 1.00 0.00 H new ATOM 0 HA TRP A 117 17.478 -7.108 -4.938 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.752 -5.340 -2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.459 -4.657 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.759 -5.421 -1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.201 -5.114 -1.441 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.331 -5.084 -6.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.251 -4.757 -3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.113 -4.758 -7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.076 -4.588 -6.001 1.00 0.00 H new ATOM 1861 N VAL A 118 19.443 -6.030 -6.432 1.00 0.00 N ATOM 1862 CA VAL A 118 20.576 -5.937 -7.400 1.00 0.00 C ATOM 1863 C VAL A 118 20.521 -4.586 -8.115 1.00 0.00 C ATOM 1864 O VAL A 118 19.515 -3.907 -8.102 1.00 0.00 O ATOM 1865 CB VAL A 118 20.481 -7.064 -8.441 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.607 -8.070 -8.212 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.138 -7.787 -8.320 1.00 0.00 C ATOM 0 H VAL A 118 18.607 -5.506 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 118 21.515 -6.033 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 118 20.567 -6.627 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.538 -8.868 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.569 -7.567 -8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.519 -8.493 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.085 -8.582 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.044 -8.216 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.327 -7.078 -8.488 1.00 0.00 H new ATOM 1877 N GLU A 119 21.596 -4.194 -8.742 1.00 0.00 N ATOM 1878 CA GLU A 119 21.606 -2.889 -9.461 1.00 0.00 C ATOM 1879 C GLU A 119 22.013 -3.115 -10.919 1.00 0.00 C ATOM 1880 O GLU A 119 23.182 -3.154 -11.247 1.00 0.00 O ATOM 1881 CB GLU A 119 22.608 -1.947 -8.792 1.00 0.00 C ATOM 1882 CG GLU A 119 21.916 -1.185 -7.660 1.00 0.00 C ATOM 1883 CD GLU A 119 22.821 -0.048 -7.184 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.312 0.684 -8.027 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.007 0.072 -5.984 1.00 0.00 O ATOM 0 H GLU A 119 22.468 -4.721 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 119 20.611 -2.445 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.451 -2.515 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.009 -1.246 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.963 -0.785 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.697 -1.861 -6.833 1.00 0.00 H new ATOM 1892 N GLY A 120 21.058 -3.266 -11.794 1.00 0.00 N ATOM 1893 CA GLY A 120 21.391 -3.492 -13.229 1.00 0.00 C ATOM 1894 C GLY A 120 21.865 -2.182 -13.861 1.00 0.00 C ATOM 1895 O GLY A 120 23.045 -1.965 -14.045 1.00 0.00 O ATOM 0 H GLY A 120 20.061 -3.243 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.168 -4.251 -13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.517 -3.868 -13.760 1.00 0.00 H new