USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 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 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -3.02! C(o=-3!,f=-3.4!) USER MOD Set 2.1: A 82 ASN : amide:sc= -11! C(o=-12!,f=-10!) USER MOD Set 2.2: A 106 THR OG1 : rot -123:sc= -0.504 USER MOD Single : A 20 CYS SG : rot -16:sc= -25.2! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.9) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 15:sc= -1.98! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 65:sc= 0.896 USER MOD Single : A 76 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.4!) USER MOD Single : A 77 GLN : amide:sc= -5.5! C(o=-5.5!,f=-3.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 154:sc= -6.84! USER MOD Single : A 85 MET CE :methyl 149:sc= -9.39! (180deg=-12.5!) USER MOD Single : A 89 SER OG : rot 5:sc= -0.212! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.747 K(o=-0.75,f=-4.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc=-0.00266 USER MOD Single : A 99 SER OG : rot -97:sc= -2.82! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 36:sc= 1.06 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.375 -7.475 0.302 1.00 0.00 N ATOM 160 CA PRO A 12 -6.002 -7.143 -0.042 1.00 0.00 C ATOM 161 C PRO A 12 -5.442 -6.117 0.950 1.00 0.00 C ATOM 162 O PRO A 12 -5.924 -5.986 2.057 1.00 0.00 O ATOM 163 CB PRO A 12 -6.110 -6.538 -1.437 1.00 0.00 C ATOM 164 CG PRO A 12 -7.552 -5.936 -1.473 1.00 0.00 C ATOM 165 CD PRO A 12 -8.406 -6.784 -0.486 1.00 0.00 C ATOM 0 HA PRO A 12 -5.334 -8.004 -0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.353 -5.771 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.972 -7.292 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.543 -4.887 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.966 -5.979 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.046 -6.160 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.057 -7.485 -1.009 1.00 0.00 H new ATOM 173 N VAL A 13 -4.434 -5.385 0.557 1.00 0.00 N ATOM 174 CA VAL A 13 -3.851 -4.359 1.468 1.00 0.00 C ATOM 175 C VAL A 13 -4.287 -2.970 0.990 1.00 0.00 C ATOM 176 O VAL A 13 -3.638 -2.374 0.154 1.00 0.00 O ATOM 177 CB VAL A 13 -2.325 -4.455 1.432 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.744 -3.837 2.705 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.911 -5.926 1.346 1.00 0.00 C ATOM 0 H VAL A 13 -3.989 -5.454 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.198 -4.527 2.488 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.947 -3.917 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.656 -3.906 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.040 -2.790 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.121 -4.375 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.824 -5.997 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.289 -6.462 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.325 -6.368 0.440 1.00 0.00 H new ATOM 189 N PRO A 14 -5.386 -2.499 1.527 1.00 0.00 N ATOM 190 CA PRO A 14 -5.928 -1.200 1.156 1.00 0.00 C ATOM 191 C PRO A 14 -5.035 -0.068 1.679 1.00 0.00 C ATOM 192 O PRO A 14 -4.597 -0.093 2.812 1.00 0.00 O ATOM 193 CB PRO A 14 -7.298 -1.156 1.827 1.00 0.00 C ATOM 194 CG PRO A 14 -7.148 -2.142 3.027 1.00 0.00 C ATOM 195 CD PRO A 14 -6.157 -3.234 2.541 1.00 0.00 C ATOM 0 HA PRO A 14 -5.987 -1.069 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.548 -0.150 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.089 -1.470 1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.767 -1.630 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.109 -2.577 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.525 -3.603 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.672 -4.097 2.119 1.00 0.00 H new ATOM 203 N LEU A 15 -4.768 0.938 0.876 1.00 0.00 N ATOM 204 CA LEU A 15 -3.916 2.060 1.370 1.00 0.00 C ATOM 205 C LEU A 15 -4.702 3.380 1.366 1.00 0.00 C ATOM 206 O LEU A 15 -4.259 4.347 0.795 1.00 0.00 O ATOM 207 CB LEU A 15 -2.668 2.228 0.490 1.00 0.00 C ATOM 208 CG LEU A 15 -1.552 1.276 0.938 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.385 1.326 2.455 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.894 -0.148 0.521 1.00 0.00 C ATOM 0 H LEU A 15 -5.099 1.027 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.613 1.816 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.923 2.032 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.316 3.258 0.543 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.620 1.587 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.589 0.645 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.129 2.341 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.318 1.028 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.099 -0.822 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.833 -0.448 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.995 -0.195 -0.563 1.00 0.00 H new ATOM 222 N PRO A 16 -5.830 3.384 2.031 1.00 0.00 N ATOM 223 CA PRO A 16 -6.653 4.576 2.165 1.00 0.00 C ATOM 224 C PRO A 16 -5.786 5.827 2.388 1.00 0.00 C ATOM 225 O PRO A 16 -5.891 6.796 1.663 1.00 0.00 O ATOM 226 CB PRO A 16 -7.513 4.299 3.390 1.00 0.00 C ATOM 227 CG PRO A 16 -7.588 2.738 3.466 1.00 0.00 C ATOM 228 CD PRO A 16 -6.371 2.182 2.663 1.00 0.00 C ATOM 0 HA PRO A 16 -7.242 4.773 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.068 4.720 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.504 4.740 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.553 2.400 4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.526 2.376 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.640 1.703 3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.677 1.439 1.926 1.00 0.00 H new ATOM 236 N GLU A 17 -4.941 5.817 3.394 1.00 0.00 N ATOM 237 CA GLU A 17 -4.074 7.009 3.675 1.00 0.00 C ATOM 238 C GLU A 17 -3.586 7.617 2.358 1.00 0.00 C ATOM 239 O GLU A 17 -3.514 8.820 2.201 1.00 0.00 O ATOM 240 CB GLU A 17 -2.870 6.573 4.513 1.00 0.00 C ATOM 241 CG GLU A 17 -2.705 7.521 5.703 1.00 0.00 C ATOM 242 CD GLU A 17 -3.937 7.427 6.605 1.00 0.00 C ATOM 243 OE1 GLU A 17 -4.048 6.447 7.323 1.00 0.00 O ATOM 244 OE2 GLU A 17 -4.749 8.336 6.564 1.00 0.00 O ATOM 0 H GLU A 17 -4.814 5.033 4.034 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.651 7.755 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.010 5.551 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.967 6.579 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.808 7.262 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.576 8.545 5.351 1.00 0.00 H new ATOM 251 N LEU A 18 -3.260 6.787 1.414 1.00 0.00 N ATOM 252 CA LEU A 18 -2.782 7.279 0.092 1.00 0.00 C ATOM 253 C LEU A 18 -4.002 7.528 -0.809 1.00 0.00 C ATOM 254 O LEU A 18 -4.658 6.594 -1.224 1.00 0.00 O ATOM 255 CB LEU A 18 -1.904 6.199 -0.546 1.00 0.00 C ATOM 256 CG LEU A 18 -0.703 6.841 -1.237 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.563 6.570 -0.422 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.548 6.239 -2.633 1.00 0.00 C ATOM 0 H LEU A 18 -3.304 5.772 1.501 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.212 8.200 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.563 5.499 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.486 5.626 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.858 7.917 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.419 7.029 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.451 6.993 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.722 5.495 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.308 6.693 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.391 5.164 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.450 6.430 -3.214 1.00 0.00 H new ATOM 270 N PRO A 19 -4.282 8.784 -1.071 1.00 0.00 N ATOM 271 CA PRO A 19 -5.423 9.163 -1.896 1.00 0.00 C ATOM 272 C PRO A 19 -5.196 8.783 -3.364 1.00 0.00 C ATOM 273 O PRO A 19 -4.079 8.685 -3.828 1.00 0.00 O ATOM 274 CB PRO A 19 -5.520 10.677 -1.743 1.00 0.00 C ATOM 275 CG PRO A 19 -4.064 11.099 -1.373 1.00 0.00 C ATOM 276 CD PRO A 19 -3.477 9.907 -0.566 1.00 0.00 C ATOM 0 HA PRO A 19 -6.336 8.652 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.854 11.153 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.229 10.957 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.473 11.296 -2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.059 12.014 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.413 9.767 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.593 10.043 0.509 1.00 0.00 H new ATOM 284 N CYS A 20 -6.261 8.572 -4.092 1.00 0.00 N ATOM 285 CA CYS A 20 -6.128 8.200 -5.529 1.00 0.00 C ATOM 286 C CYS A 20 -6.208 9.460 -6.397 1.00 0.00 C ATOM 287 O CYS A 20 -5.211 10.092 -6.683 1.00 0.00 O ATOM 288 CB CYS A 20 -7.264 7.249 -5.912 1.00 0.00 C ATOM 289 SG CYS A 20 -6.630 5.557 -5.999 1.00 0.00 S ATOM 0 H CYS A 20 -7.220 8.642 -3.751 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.167 7.710 -5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.067 7.310 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.688 7.540 -6.873 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.331 5.582 -6.048 1.00 0.00 H new ATOM 295 N GLU A 21 -7.389 9.827 -6.822 1.00 0.00 N ATOM 296 CA GLU A 21 -7.531 11.042 -7.674 1.00 0.00 C ATOM 297 C GLU A 21 -8.208 12.155 -6.871 1.00 0.00 C ATOM 298 O GLU A 21 -9.223 12.691 -7.270 1.00 0.00 O ATOM 299 CB GLU A 21 -8.385 10.710 -8.901 1.00 0.00 C ATOM 300 CG GLU A 21 -7.804 11.407 -10.132 1.00 0.00 C ATOM 301 CD GLU A 21 -8.883 11.524 -11.209 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.821 10.744 -11.167 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.753 12.390 -12.059 1.00 0.00 O ATOM 0 H GLU A 21 -8.260 9.338 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.544 11.374 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.410 9.632 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.414 11.032 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.435 12.397 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.953 10.843 -10.514 1.00 0.00 H new ATOM 310 N LYS A 22 -7.658 12.508 -5.741 1.00 0.00 N ATOM 311 CA LYS A 22 -8.276 13.584 -4.918 1.00 0.00 C ATOM 312 C LYS A 22 -9.749 13.250 -4.686 1.00 0.00 C ATOM 313 O LYS A 22 -10.554 14.111 -4.392 1.00 0.00 O ATOM 314 CB LYS A 22 -8.163 14.921 -5.654 1.00 0.00 C ATOM 315 CG LYS A 22 -7.618 15.985 -4.700 1.00 0.00 C ATOM 316 CD LYS A 22 -6.249 15.547 -4.176 1.00 0.00 C ATOM 317 CE LYS A 22 -5.371 16.780 -3.949 1.00 0.00 C ATOM 318 NZ LYS A 22 -4.366 16.484 -2.888 1.00 0.00 N ATOM 0 H LYS A 22 -6.808 12.098 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.760 13.657 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.504 14.819 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.139 15.223 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.533 16.942 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.308 16.131 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.365 14.993 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.773 14.875 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.867 17.057 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.987 17.630 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.769 17.321 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.856 16.240 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.771 15.685 -3.186 1.00 0.00 H new ATOM 332 N SER A 23 -10.105 12.004 -4.819 1.00 0.00 N ATOM 333 CA SER A 23 -11.526 11.605 -4.610 1.00 0.00 C ATOM 334 C SER A 23 -11.643 10.789 -3.323 1.00 0.00 C ATOM 335 O SER A 23 -10.725 10.729 -2.529 1.00 0.00 O ATOM 336 CB SER A 23 -11.994 10.757 -5.795 1.00 0.00 C ATOM 337 OG SER A 23 -11.203 9.578 -5.872 1.00 0.00 O ATOM 0 H SER A 23 -9.473 11.242 -5.064 1.00 0.00 H new ATOM 0 HA SER A 23 -12.147 12.497 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.046 10.496 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.909 11.327 -6.720 1.00 0.00 H new ATOM 0 HG SER A 23 -11.502 9.032 -6.629 1.00 0.00 H new ATOM 343 N ASP A 24 -12.763 10.154 -3.113 1.00 0.00 N ATOM 344 CA ASP A 24 -12.935 9.338 -1.880 1.00 0.00 C ATOM 345 C ASP A 24 -12.272 7.973 -2.083 1.00 0.00 C ATOM 346 O ASP A 24 -12.373 7.094 -1.251 1.00 0.00 O ATOM 347 CB ASP A 24 -14.426 9.144 -1.599 1.00 0.00 C ATOM 348 CG ASP A 24 -15.033 10.465 -1.124 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.213 11.343 -1.952 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.306 10.577 0.060 1.00 0.00 O ATOM 0 H ASP A 24 -13.566 10.165 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.472 9.849 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.935 8.801 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.567 8.374 -0.841 1.00 0.00 H new ATOM 355 N ALA A 25 -11.596 7.790 -3.185 1.00 0.00 N ATOM 356 CA ALA A 25 -10.929 6.485 -3.441 1.00 0.00 C ATOM 357 C ALA A 25 -9.490 6.537 -2.928 1.00 0.00 C ATOM 358 O ALA A 25 -8.998 7.574 -2.531 1.00 0.00 O ATOM 359 CB ALA A 25 -10.921 6.203 -4.944 1.00 0.00 C ATOM 0 H ALA A 25 -11.478 8.489 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.472 5.694 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.432 5.247 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.946 6.165 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.379 6.995 -5.460 1.00 0.00 H new ATOM 365 N TYR A 26 -8.812 5.424 -2.933 1.00 0.00 N ATOM 366 CA TYR A 26 -7.405 5.404 -2.446 1.00 0.00 C ATOM 367 C TYR A 26 -6.620 4.342 -3.214 1.00 0.00 C ATOM 368 O TYR A 26 -7.069 3.840 -4.221 1.00 0.00 O ATOM 369 CB TYR A 26 -7.379 5.081 -0.951 1.00 0.00 C ATOM 370 CG TYR A 26 -8.575 4.233 -0.584 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.850 4.808 -0.527 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.409 2.871 -0.299 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.958 4.023 -0.184 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.516 2.087 0.043 1.00 0.00 C ATOM 375 CZ TYR A 26 -10.791 2.663 0.101 1.00 0.00 C ATOM 376 OH TYR A 26 -11.883 1.890 0.439 1.00 0.00 O ATOM 0 H TYR A 26 -9.172 4.525 -3.254 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.951 6.382 -2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.458 4.554 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.386 6.004 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.979 5.857 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.426 2.426 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.941 4.467 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.387 1.037 0.262 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.593 0.969 0.605 1.00 0.00 H new ATOM 386 N PHE A 27 -5.449 3.996 -2.758 1.00 0.00 N ATOM 387 CA PHE A 27 -4.654 2.968 -3.487 1.00 0.00 C ATOM 388 C PHE A 27 -4.779 1.612 -2.797 1.00 0.00 C ATOM 389 O PHE A 27 -3.906 1.183 -2.073 1.00 0.00 O ATOM 390 CB PHE A 27 -3.189 3.396 -3.536 1.00 0.00 C ATOM 391 CG PHE A 27 -2.959 4.158 -4.815 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.958 5.015 -5.294 1.00 0.00 C ATOM 393 CD2 PHE A 27 -1.766 4.005 -5.528 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.763 5.719 -6.486 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.571 4.710 -6.719 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.572 5.567 -7.198 1.00 0.00 C ATOM 0 H PHE A 27 -5.010 4.376 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.038 2.876 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.947 4.019 -2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.537 2.523 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.879 5.132 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.996 3.343 -5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.533 6.380 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.649 4.595 -7.270 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.421 6.110 -8.119 1.00 0.00 H new ATOM 406 N VAL A 28 -5.858 0.924 -3.020 1.00 0.00 N ATOM 407 CA VAL A 28 -6.027 -0.405 -2.382 1.00 0.00 C ATOM 408 C VAL A 28 -5.096 -1.408 -3.069 1.00 0.00 C ATOM 409 O VAL A 28 -5.442 -2.011 -4.066 1.00 0.00 O ATOM 410 CB VAL A 28 -7.487 -0.850 -2.515 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.603 -2.360 -2.288 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.336 -0.118 -1.475 1.00 0.00 C ATOM 0 H VAL A 28 -6.630 1.224 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.774 -0.350 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.840 -0.612 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.645 -2.664 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.001 -2.887 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.245 -2.606 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.376 -0.433 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.972 -0.356 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.266 0.957 -1.640 1.00 0.00 H new ATOM 422 N LEU A 29 -3.910 -1.582 -2.547 1.00 0.00 N ATOM 423 CA LEU A 29 -2.951 -2.535 -3.174 1.00 0.00 C ATOM 424 C LEU A 29 -3.669 -3.837 -3.529 1.00 0.00 C ATOM 425 O LEU A 29 -4.052 -4.599 -2.667 1.00 0.00 O ATOM 426 CB LEU A 29 -1.803 -2.833 -2.201 1.00 0.00 C ATOM 427 CG LEU A 29 -1.004 -4.045 -2.699 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.456 -3.648 -2.921 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.073 -5.163 -1.656 1.00 0.00 C ATOM 0 H LEU A 29 -3.565 -1.105 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.548 -2.086 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.150 -1.964 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.200 -3.031 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.429 -4.394 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.018 -4.512 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.508 -2.853 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.884 -3.296 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.506 -6.025 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.650 -4.810 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.112 -5.452 -1.500 1.00 0.00 H new ATOM 441 N ARG A 30 -3.839 -4.102 -4.794 1.00 0.00 N ATOM 442 CA ARG A 30 -4.516 -5.361 -5.205 1.00 0.00 C ATOM 443 C ARG A 30 -3.477 -6.312 -5.801 1.00 0.00 C ATOM 444 O ARG A 30 -2.326 -5.962 -5.965 1.00 0.00 O ATOM 445 CB ARG A 30 -5.589 -5.050 -6.251 1.00 0.00 C ATOM 446 CG ARG A 30 -6.973 -5.138 -5.603 1.00 0.00 C ATOM 447 CD ARG A 30 -7.746 -3.846 -5.873 1.00 0.00 C ATOM 448 NE ARG A 30 -9.205 -4.096 -5.706 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.071 -3.227 -6.152 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.904 -1.956 -5.907 1.00 0.00 N ATOM 451 NH2 ARG A 30 -11.103 -3.629 -6.842 1.00 0.00 N ATOM 0 H ARG A 30 -3.538 -3.500 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.987 -5.826 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.432 -4.054 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.518 -5.754 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.520 -5.992 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.874 -5.297 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.419 -3.064 -5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.540 -3.491 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.527 -4.946 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.097 -1.642 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.580 -1.276 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.233 -4.622 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.780 -2.950 -7.190 1.00 0.00 H new ATOM 465 N ASP A 31 -3.868 -7.513 -6.125 1.00 0.00 N ATOM 466 CA ASP A 31 -2.893 -8.477 -6.707 1.00 0.00 C ATOM 467 C ASP A 31 -3.457 -9.048 -8.009 1.00 0.00 C ATOM 468 O ASP A 31 -4.390 -9.825 -8.006 1.00 0.00 O ATOM 469 CB ASP A 31 -2.645 -9.614 -5.715 1.00 0.00 C ATOM 470 CG ASP A 31 -3.976 -10.064 -5.109 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.994 -9.864 -5.750 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.954 -10.601 -4.014 1.00 0.00 O ATOM 0 H ASP A 31 -4.818 -7.868 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.953 -7.964 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.161 -10.451 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.969 -9.282 -4.927 1.00 0.00 H new ATOM 477 N GLY A 32 -2.896 -8.668 -9.125 1.00 0.00 N ATOM 478 CA GLY A 32 -3.402 -9.191 -10.426 1.00 0.00 C ATOM 479 C GLY A 32 -2.674 -8.493 -11.577 1.00 0.00 C ATOM 480 O GLY A 32 -1.614 -7.924 -11.400 1.00 0.00 O ATOM 0 H GLY A 32 -2.111 -8.020 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.245 -10.268 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.476 -9.021 -10.505 1.00 0.00 H new ATOM 484 N ALA A 33 -3.234 -8.530 -12.755 1.00 0.00 N ATOM 485 CA ALA A 33 -2.575 -7.869 -13.915 1.00 0.00 C ATOM 486 C ALA A 33 -1.210 -8.514 -14.164 1.00 0.00 C ATOM 487 O ALA A 33 -1.095 -9.487 -14.883 1.00 0.00 O ATOM 488 CB ALA A 33 -2.389 -6.379 -13.615 1.00 0.00 C ATOM 0 H ALA A 33 -4.120 -8.990 -12.964 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.198 -7.986 -14.802 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.907 -5.894 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.361 -5.919 -13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.766 -6.261 -12.728 1.00 0.00 H new ATOM 494 N ALA A 34 -0.175 -7.983 -13.575 1.00 0.00 N ATOM 495 CA ALA A 34 1.180 -8.567 -13.780 1.00 0.00 C ATOM 496 C ALA A 34 1.966 -8.497 -12.469 1.00 0.00 C ATOM 497 O ALA A 34 3.151 -8.232 -12.457 1.00 0.00 O ATOM 498 CB ALA A 34 1.920 -7.777 -14.861 1.00 0.00 C ATOM 0 H ALA A 34 -0.209 -7.170 -12.960 1.00 0.00 H new ATOM 0 HA ALA A 34 1.084 -9.607 -14.093 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.911 -8.205 -15.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.360 -7.825 -15.795 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.017 -6.737 -14.549 1.00 0.00 H new ATOM 504 N GLY A 35 1.312 -8.731 -11.363 1.00 0.00 N ATOM 505 CA GLY A 35 2.019 -8.675 -10.053 1.00 0.00 C ATOM 506 C GLY A 35 1.306 -7.682 -9.132 1.00 0.00 C ATOM 507 O GLY A 35 0.605 -6.798 -9.583 1.00 0.00 O ATOM 0 H GLY A 35 0.319 -8.958 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.038 -9.664 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.056 -8.372 -10.200 1.00 0.00 H new ATOM 511 N VAL A 36 1.479 -7.821 -7.846 1.00 0.00 N ATOM 512 CA VAL A 36 0.808 -6.884 -6.900 1.00 0.00 C ATOM 513 C VAL A 36 0.951 -5.451 -7.420 1.00 0.00 C ATOM 514 O VAL A 36 1.731 -5.175 -8.309 1.00 0.00 O ATOM 515 CB VAL A 36 1.462 -7.000 -5.519 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.981 -7.022 -5.676 1.00 0.00 C ATOM 517 CG2 VAL A 36 1.055 -5.804 -4.652 1.00 0.00 C ATOM 0 H VAL A 36 2.055 -8.541 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.249 -7.137 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 36 1.131 -7.921 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.447 -7.104 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.271 -7.876 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.310 -6.101 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.522 -5.890 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.382 -4.880 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.029 -5.789 -4.538 1.00 0.00 H new ATOM 527 N PHE A 37 0.200 -4.538 -6.869 1.00 0.00 N ATOM 528 CA PHE A 37 0.283 -3.124 -7.325 1.00 0.00 C ATOM 529 C PHE A 37 -0.702 -2.282 -6.513 1.00 0.00 C ATOM 530 O PHE A 37 -1.304 -2.759 -5.575 1.00 0.00 O ATOM 531 CB PHE A 37 -0.078 -3.045 -8.808 1.00 0.00 C ATOM 532 CG PHE A 37 -1.542 -3.364 -8.982 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.030 -4.630 -8.636 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.411 -2.392 -9.486 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.390 -4.922 -8.796 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.771 -2.683 -9.645 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.260 -3.949 -9.300 1.00 0.00 C ATOM 0 H PHE A 37 -0.470 -4.712 -6.120 1.00 0.00 H new ATOM 0 HA PHE A 37 1.296 -2.748 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.137 -2.049 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.529 -3.747 -9.380 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.358 -5.380 -8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.033 -1.416 -9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.768 -5.898 -8.530 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.443 -1.932 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.309 -4.174 -9.423 1.00 0.00 H new ATOM 547 N LEU A 38 -0.873 -1.036 -6.863 1.00 0.00 N ATOM 548 CA LEU A 38 -1.825 -0.175 -6.100 1.00 0.00 C ATOM 549 C LEU A 38 -2.899 0.369 -7.040 1.00 0.00 C ATOM 550 O LEU A 38 -2.709 1.371 -7.698 1.00 0.00 O ATOM 551 CB LEU A 38 -1.070 0.997 -5.471 1.00 0.00 C ATOM 552 CG LEU A 38 -0.076 0.472 -4.438 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.257 0.177 -5.123 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.134 1.529 -3.350 1.00 0.00 C ATOM 0 H LEU A 38 -0.398 -0.578 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.293 -0.772 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.545 1.560 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.773 1.683 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.465 -0.441 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.969 -0.198 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.109 -0.573 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.646 1.091 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.844 1.155 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.525 2.441 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.817 1.744 -2.863 1.00 0.00 H new ATOM 566 N ALA A 39 -4.032 -0.276 -7.102 1.00 0.00 N ATOM 567 CA ALA A 39 -5.112 0.223 -7.994 1.00 0.00 C ATOM 568 C ALA A 39 -6.023 1.159 -7.202 1.00 0.00 C ATOM 569 O ALA A 39 -6.207 1.008 -6.003 1.00 0.00 O ATOM 570 CB ALA A 39 -5.940 -0.947 -8.530 1.00 0.00 C ATOM 0 H ALA A 39 -4.254 -1.121 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.663 0.755 -8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.727 -0.567 -9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.295 -1.621 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.388 -1.487 -7.696 1.00 0.00 H new ATOM 576 N ALA A 40 -6.601 2.121 -7.859 1.00 0.00 N ATOM 577 CA ALA A 40 -7.504 3.056 -7.149 1.00 0.00 C ATOM 578 C ALA A 40 -8.782 2.310 -6.776 1.00 0.00 C ATOM 579 O ALA A 40 -9.293 1.518 -7.543 1.00 0.00 O ATOM 580 CB ALA A 40 -7.839 4.238 -8.060 1.00 0.00 C ATOM 0 H ALA A 40 -6.486 2.299 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.019 3.433 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.504 4.925 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.921 4.759 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.331 3.874 -8.962 1.00 0.00 H new ATOM 586 N ASN A 41 -9.302 2.546 -5.607 1.00 0.00 N ATOM 587 CA ASN A 41 -10.546 1.839 -5.195 1.00 0.00 C ATOM 588 C ASN A 41 -11.726 2.377 -6.014 1.00 0.00 C ATOM 589 O ASN A 41 -12.830 1.878 -5.930 1.00 0.00 O ATOM 590 CB ASN A 41 -10.786 2.058 -3.695 1.00 0.00 C ATOM 591 CG ASN A 41 -12.261 1.817 -3.355 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.054 2.738 -3.357 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.663 0.610 -3.064 1.00 0.00 N ATOM 0 H ASN A 41 -8.922 3.196 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.446 0.769 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.157 1.382 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.503 3.073 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.643 0.439 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.997 -0.163 -3.062 1.00 0.00 H new ATOM 600 N THR A 42 -11.498 3.387 -6.813 1.00 0.00 N ATOM 601 CA THR A 42 -12.602 3.945 -7.643 1.00 0.00 C ATOM 602 C THR A 42 -12.475 3.421 -9.077 1.00 0.00 C ATOM 603 O THR A 42 -13.236 3.788 -9.949 1.00 0.00 O ATOM 604 CB THR A 42 -12.516 5.474 -7.646 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.162 5.870 -7.477 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.364 6.039 -6.505 1.00 0.00 C ATOM 0 H THR A 42 -10.595 3.848 -6.925 1.00 0.00 H new ATOM 0 HA THR A 42 -13.562 3.638 -7.228 1.00 0.00 H new ATOM 0 HB THR A 42 -12.891 5.858 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.104 6.848 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.301 7.127 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.402 5.735 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.994 5.658 -5.553 1.00 0.00 H new ATOM 614 N PHE A 43 -11.517 2.561 -9.322 1.00 0.00 N ATOM 615 CA PHE A 43 -11.325 1.998 -10.692 1.00 0.00 C ATOM 616 C PHE A 43 -12.692 1.743 -11.340 1.00 0.00 C ATOM 617 O PHE A 43 -13.613 1.314 -10.673 1.00 0.00 O ATOM 618 CB PHE A 43 -10.563 0.674 -10.578 1.00 0.00 C ATOM 619 CG PHE A 43 -10.326 0.101 -11.954 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.287 -0.729 -12.543 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.144 0.402 -12.642 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.066 -1.259 -13.820 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.924 -0.127 -13.919 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.884 -0.958 -14.508 1.00 0.00 C ATOM 0 H PHE A 43 -10.855 2.223 -8.624 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.763 2.702 -11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.611 0.834 -10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.131 -0.032 -9.973 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.199 -0.961 -12.013 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.402 1.042 -12.187 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.807 -1.900 -14.274 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.013 0.106 -14.450 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.713 -1.367 -15.493 1.00 0.00 H new ATOM 634 N PRO A 44 -12.787 1.998 -12.624 1.00 0.00 N ATOM 635 CA PRO A 44 -11.681 2.512 -13.422 1.00 0.00 C ATOM 636 C PRO A 44 -11.562 4.034 -13.277 1.00 0.00 C ATOM 637 O PRO A 44 -10.659 4.642 -13.816 1.00 0.00 O ATOM 638 CB PRO A 44 -12.066 2.160 -14.852 1.00 0.00 C ATOM 639 CG PRO A 44 -13.628 2.146 -14.818 1.00 0.00 C ATOM 640 CD PRO A 44 -14.033 1.758 -13.365 1.00 0.00 C ATOM 0 HA PRO A 44 -10.722 2.093 -13.117 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.687 2.895 -15.562 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.663 1.192 -15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.031 3.123 -15.086 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.026 1.429 -15.536 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.853 2.372 -12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.355 0.719 -13.295 1.00 0.00 H new ATOM 648 N LYS A 45 -12.468 4.655 -12.566 1.00 0.00 N ATOM 649 CA LYS A 45 -12.406 6.138 -12.399 1.00 0.00 C ATOM 650 C LYS A 45 -10.953 6.572 -12.188 1.00 0.00 C ATOM 651 O LYS A 45 -10.570 7.673 -12.529 1.00 0.00 O ATOM 652 CB LYS A 45 -13.262 6.545 -11.193 1.00 0.00 C ATOM 653 CG LYS A 45 -12.820 7.915 -10.678 1.00 0.00 C ATOM 654 CD LYS A 45 -13.740 8.357 -9.537 1.00 0.00 C ATOM 655 CE LYS A 45 -14.709 9.425 -10.048 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.842 9.568 -9.092 1.00 0.00 N ATOM 0 H LYS A 45 -13.248 4.199 -12.094 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.791 6.627 -13.294 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.314 6.576 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.167 5.802 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.788 7.868 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.850 8.645 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.295 7.502 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.149 8.752 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.191 10.378 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.084 9.149 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.500 10.294 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.342 8.660 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.476 9.850 -8.160 1.00 0.00 H new ATOM 670 N SER A 46 -10.143 5.716 -11.635 1.00 0.00 N ATOM 671 CA SER A 46 -8.718 6.084 -11.411 1.00 0.00 C ATOM 672 C SER A 46 -7.819 4.976 -11.962 1.00 0.00 C ATOM 673 O SER A 46 -7.682 3.924 -11.372 1.00 0.00 O ATOM 674 CB SER A 46 -8.465 6.254 -9.914 1.00 0.00 C ATOM 675 OG SER A 46 -8.634 7.620 -9.562 1.00 0.00 O ATOM 0 H SER A 46 -10.404 4.779 -11.329 1.00 0.00 H new ATOM 0 HA SER A 46 -8.496 7.021 -11.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.155 5.632 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.457 5.924 -9.664 1.00 0.00 H new ATOM 0 HG SER A 46 -9.097 8.090 -10.287 1.00 0.00 H new ATOM 681 N ARG A 47 -7.207 5.205 -13.092 1.00 0.00 N ATOM 682 CA ARG A 47 -6.319 4.165 -13.679 1.00 0.00 C ATOM 683 C ARG A 47 -4.895 4.356 -13.155 1.00 0.00 C ATOM 684 O ARG A 47 -3.929 4.091 -13.842 1.00 0.00 O ATOM 685 CB ARG A 47 -6.323 4.290 -15.203 1.00 0.00 C ATOM 686 CG ARG A 47 -7.141 3.147 -15.806 1.00 0.00 C ATOM 687 CD ARG A 47 -7.465 3.465 -17.267 1.00 0.00 C ATOM 688 NE ARG A 47 -8.722 2.770 -17.660 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.670 1.583 -18.198 1.00 0.00 C ATOM 690 NH1 ARG A 47 -8.326 1.447 -19.449 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.964 0.530 -17.484 1.00 0.00 N ATOM 0 H ARG A 47 -7.284 6.067 -13.632 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.681 3.177 -13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.746 5.250 -15.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.302 4.261 -15.584 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.583 2.213 -15.741 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.062 3.007 -15.240 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.575 4.541 -17.400 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.645 3.147 -17.910 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.624 3.222 -17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.097 2.269 -20.007 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.286 0.518 -19.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.234 0.636 -16.506 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.924 -0.399 -17.904 1.00 0.00 H new ATOM 705 N GLU A 48 -4.758 4.815 -11.941 1.00 0.00 N ATOM 706 CA GLU A 48 -3.399 5.020 -11.371 1.00 0.00 C ATOM 707 C GLU A 48 -2.913 3.710 -10.748 1.00 0.00 C ATOM 708 O GLU A 48 -2.632 3.637 -9.568 1.00 0.00 O ATOM 709 CB GLU A 48 -3.454 6.110 -10.298 1.00 0.00 C ATOM 710 CG GLU A 48 -4.111 7.364 -10.879 1.00 0.00 C ATOM 711 CD GLU A 48 -4.564 8.279 -9.739 1.00 0.00 C ATOM 712 OE1 GLU A 48 -3.917 8.269 -8.705 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.550 8.973 -9.920 1.00 0.00 O ATOM 0 H GLU A 48 -5.530 5.057 -11.320 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.712 5.327 -12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.018 5.757 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.448 6.342 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.407 7.890 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.964 7.087 -11.498 1.00 0.00 H new ATOM 720 N THR A 49 -2.817 2.673 -11.534 1.00 0.00 N ATOM 721 CA THR A 49 -2.356 1.363 -10.992 1.00 0.00 C ATOM 722 C THR A 49 -0.977 1.033 -11.567 1.00 0.00 C ATOM 723 O THR A 49 -0.682 1.331 -12.707 1.00 0.00 O ATOM 724 CB THR A 49 -3.351 0.267 -11.388 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.948 -0.312 -12.621 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.752 0.865 -11.537 1.00 0.00 C ATOM 0 H THR A 49 -3.038 2.676 -12.530 1.00 0.00 H new ATOM 0 HA THR A 49 -2.294 1.420 -9.905 1.00 0.00 H new ATOM 0 HB THR A 49 -3.370 -0.499 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.582 -1.014 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.454 0.081 -11.819 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.062 1.307 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.739 1.634 -12.309 1.00 0.00 H new ATOM 734 N ARG A 50 -0.129 0.419 -10.788 1.00 0.00 N ATOM 735 CA ARG A 50 1.231 0.070 -11.291 1.00 0.00 C ATOM 736 C ARG A 50 2.062 -0.516 -10.149 1.00 0.00 C ATOM 737 O ARG A 50 2.058 -1.708 -9.914 1.00 0.00 O ATOM 738 CB ARG A 50 1.914 1.331 -11.826 1.00 0.00 C ATOM 739 CG ARG A 50 3.371 1.015 -12.174 1.00 0.00 C ATOM 740 CD ARG A 50 3.419 0.169 -13.448 1.00 0.00 C ATOM 741 NE ARG A 50 3.965 0.988 -14.567 1.00 0.00 N ATOM 742 CZ ARG A 50 4.175 0.442 -15.734 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.167 0.005 -16.439 1.00 0.00 N ATOM 744 NH2 ARG A 50 5.391 0.333 -16.195 1.00 0.00 N ATOM 0 H ARG A 50 -0.319 0.144 -9.824 1.00 0.00 H new ATOM 0 HA ARG A 50 1.146 -0.665 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.389 1.695 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.871 2.125 -11.080 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.931 1.939 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.845 0.480 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.042 -0.711 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.420 -0.188 -13.698 1.00 0.00 H new ATOM 0 HE ARG A 50 4.175 1.975 -14.421 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.217 0.090 -16.078 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.329 -0.422 -17.351 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.178 0.675 -15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.554 -0.094 -17.107 1.00 0.00 H new ATOM 758 N ALA A 51 2.775 0.312 -9.435 1.00 0.00 N ATOM 759 CA ALA A 51 3.604 -0.199 -8.308 1.00 0.00 C ATOM 760 C ALA A 51 3.842 0.932 -7.300 1.00 0.00 C ATOM 761 O ALA A 51 3.892 2.088 -7.669 1.00 0.00 O ATOM 762 CB ALA A 51 4.943 -0.703 -8.842 1.00 0.00 C ATOM 0 H ALA A 51 2.819 1.320 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 51 3.083 -1.021 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.547 -1.076 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.770 -1.507 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.469 0.114 -9.336 1.00 0.00 H new ATOM 768 N PRO A 52 3.966 0.561 -6.051 1.00 0.00 N ATOM 769 CA PRO A 52 4.179 1.522 -4.979 1.00 0.00 C ATOM 770 C PRO A 52 5.648 1.951 -4.900 1.00 0.00 C ATOM 771 O PRO A 52 6.542 1.130 -4.827 1.00 0.00 O ATOM 772 CB PRO A 52 3.798 0.760 -3.717 1.00 0.00 C ATOM 773 CG PRO A 52 4.078 -0.734 -4.086 1.00 0.00 C ATOM 774 CD PRO A 52 3.894 -0.846 -5.628 1.00 0.00 C ATOM 0 HA PRO A 52 3.598 2.432 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.393 1.079 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.752 0.918 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.087 -1.024 -3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.390 -1.399 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.675 -1.450 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.940 -1.303 -5.892 1.00 0.00 H new ATOM 782 N LEU A 53 5.907 3.231 -4.890 1.00 0.00 N ATOM 783 CA LEU A 53 7.315 3.695 -4.780 1.00 0.00 C ATOM 784 C LEU A 53 7.939 3.032 -3.550 1.00 0.00 C ATOM 785 O LEU A 53 7.254 2.733 -2.592 1.00 0.00 O ATOM 786 CB LEU A 53 7.347 5.218 -4.608 1.00 0.00 C ATOM 787 CG LEU A 53 8.485 5.802 -5.446 1.00 0.00 C ATOM 788 CD1 LEU A 53 8.160 7.243 -5.833 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.786 5.776 -4.645 1.00 0.00 C ATOM 0 H LEU A 53 5.207 3.970 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 53 7.869 3.430 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.395 5.650 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.487 5.473 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 53 8.601 5.202 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.975 7.652 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.238 7.265 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.034 7.842 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.593 6.193 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.667 6.369 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.028 4.747 -4.377 1.00 0.00 H new ATOM 801 N VAL A 54 9.221 2.790 -3.554 1.00 0.00 N ATOM 802 CA VAL A 54 9.839 2.140 -2.363 1.00 0.00 C ATOM 803 C VAL A 54 9.554 2.988 -1.121 1.00 0.00 C ATOM 804 O VAL A 54 9.617 2.512 -0.004 1.00 0.00 O ATOM 805 CB VAL A 54 11.350 2.005 -2.560 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.901 0.985 -1.563 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.640 1.522 -3.982 1.00 0.00 C ATOM 0 H VAL A 54 9.860 3.010 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 54 9.412 1.145 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 54 11.824 2.973 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.978 0.886 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.695 1.321 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.424 0.019 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.717 1.426 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.166 0.553 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.244 2.242 -4.699 1.00 0.00 H new ATOM 817 N GLU A 55 9.230 4.240 -1.307 1.00 0.00 N ATOM 818 CA GLU A 55 8.931 5.112 -0.137 1.00 0.00 C ATOM 819 C GLU A 55 7.470 4.924 0.271 1.00 0.00 C ATOM 820 O GLU A 55 7.139 4.899 1.439 1.00 0.00 O ATOM 821 CB GLU A 55 9.170 6.576 -0.511 1.00 0.00 C ATOM 822 CG GLU A 55 8.383 6.914 -1.779 1.00 0.00 C ATOM 823 CD GLU A 55 8.434 8.424 -2.024 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.528 8.945 -2.157 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.377 9.031 -2.077 1.00 0.00 O ATOM 0 H GLU A 55 9.160 4.695 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 55 9.583 4.841 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.860 7.227 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.233 6.752 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.802 6.382 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.349 6.586 -1.676 1.00 0.00 H new ATOM 832 N GLU A 56 6.592 4.783 -0.686 1.00 0.00 N ATOM 833 CA GLU A 56 5.155 4.589 -0.351 1.00 0.00 C ATOM 834 C GLU A 56 4.985 3.232 0.331 1.00 0.00 C ATOM 835 O GLU A 56 4.097 3.034 1.137 1.00 0.00 O ATOM 836 CB GLU A 56 4.321 4.624 -1.633 1.00 0.00 C ATOM 837 CG GLU A 56 3.734 6.025 -1.822 1.00 0.00 C ATOM 838 CD GLU A 56 3.099 6.130 -3.210 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.174 5.162 -3.949 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.550 7.177 -3.512 1.00 0.00 O ATOM 0 H GLU A 56 6.809 4.794 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 56 4.821 5.384 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.940 4.359 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.520 3.887 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.988 6.225 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.516 6.776 -1.710 1.00 0.00 H new ATOM 847 N LEU A 57 5.837 2.297 0.014 1.00 0.00 N ATOM 848 CA LEU A 57 5.740 0.952 0.643 1.00 0.00 C ATOM 849 C LEU A 57 6.326 1.012 2.053 1.00 0.00 C ATOM 850 O LEU A 57 5.777 0.464 2.988 1.00 0.00 O ATOM 851 CB LEU A 57 6.519 -0.060 -0.198 1.00 0.00 C ATOM 852 CG LEU A 57 6.340 -1.467 0.378 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.893 -1.673 0.839 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.670 -2.495 -0.701 1.00 0.00 C ATOM 0 H LEU A 57 6.598 2.408 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 57 4.695 0.645 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.169 -0.033 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.576 0.204 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 57 7.007 -1.588 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.780 -2.678 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.648 -0.940 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.220 -1.548 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.544 -3.500 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.000 -2.359 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.701 -2.362 -1.027 1.00 0.00 H new ATOM 866 N TYR A 58 7.437 1.680 2.217 1.00 0.00 N ATOM 867 CA TYR A 58 8.051 1.780 3.569 1.00 0.00 C ATOM 868 C TYR A 58 7.047 2.421 4.529 1.00 0.00 C ATOM 869 O TYR A 58 6.880 1.987 5.651 1.00 0.00 O ATOM 870 CB TYR A 58 9.312 2.643 3.494 1.00 0.00 C ATOM 871 CG TYR A 58 9.893 2.809 4.879 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.755 1.835 5.398 1.00 0.00 C ATOM 873 CD2 TYR A 58 9.570 3.938 5.642 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.293 1.990 6.681 1.00 0.00 C ATOM 875 CE2 TYR A 58 10.109 4.092 6.926 1.00 0.00 C ATOM 876 CZ TYR A 58 10.971 3.119 7.445 1.00 0.00 C ATOM 877 OH TYR A 58 11.502 3.271 8.710 1.00 0.00 O ATOM 0 H TYR A 58 7.944 2.159 1.473 1.00 0.00 H new ATOM 0 HA TYR A 58 8.317 0.785 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.045 2.178 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.073 3.618 3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.005 0.965 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.906 4.689 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.957 1.238 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.859 4.962 7.516 1.00 0.00 H new ATOM 0 HH TYR A 58 11.178 4.109 9.102 1.00 0.00 H new ATOM 887 N ARG A 59 6.373 3.450 4.093 1.00 0.00 N ATOM 888 CA ARG A 59 5.375 4.117 4.976 1.00 0.00 C ATOM 889 C ARG A 59 4.208 3.159 5.226 1.00 0.00 C ATOM 890 O ARG A 59 3.664 3.097 6.311 1.00 0.00 O ATOM 891 CB ARG A 59 4.856 5.384 4.294 1.00 0.00 C ATOM 892 CG ARG A 59 3.807 6.054 5.183 1.00 0.00 C ATOM 893 CD ARG A 59 2.792 6.788 4.307 1.00 0.00 C ATOM 894 NE ARG A 59 1.660 7.266 5.151 1.00 0.00 N ATOM 895 CZ ARG A 59 1.461 8.545 5.313 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.471 9.370 5.281 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.253 8.999 5.506 1.00 0.00 N ATOM 0 H ARG A 59 6.470 3.858 3.163 1.00 0.00 H new ATOM 0 HA ARG A 59 5.843 4.383 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.681 6.072 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.421 5.136 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.302 5.307 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.287 6.754 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.269 7.632 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.422 6.124 3.526 1.00 0.00 H new ATOM 0 HE ARG A 59 1.041 6.593 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.415 9.015 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.317 10.370 5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.537 8.354 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.098 9.999 5.633 1.00 0.00 H new ATOM 911 N PHE A 60 3.825 2.408 4.230 1.00 0.00 N ATOM 912 CA PHE A 60 2.700 1.450 4.406 1.00 0.00 C ATOM 913 C PHE A 60 3.253 0.104 4.878 1.00 0.00 C ATOM 914 O PHE A 60 2.607 -0.919 4.764 1.00 0.00 O ATOM 915 CB PHE A 60 1.969 1.270 3.075 1.00 0.00 C ATOM 916 CG PHE A 60 1.156 2.509 2.764 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.555 3.243 3.797 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.001 2.918 1.436 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.198 4.384 3.498 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.247 4.058 1.139 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.352 4.791 2.171 1.00 0.00 C ATOM 0 H PHE A 60 4.244 2.417 3.300 1.00 0.00 H new ATOM 0 HA PHE A 60 2.002 1.836 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.688 1.086 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.316 0.398 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.673 2.928 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.463 2.354 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.660 4.950 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.127 4.373 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.933 5.672 1.941 1.00 0.00 H new ATOM 931 N ARG A 61 4.442 0.100 5.413 1.00 0.00 N ATOM 932 CA ARG A 61 5.036 -1.176 5.899 1.00 0.00 C ATOM 933 C ARG A 61 4.227 -1.684 7.095 1.00 0.00 C ATOM 934 O ARG A 61 4.073 -2.873 7.292 1.00 0.00 O ATOM 935 CB ARG A 61 6.486 -0.935 6.328 1.00 0.00 C ATOM 936 CG ARG A 61 7.162 -2.276 6.618 1.00 0.00 C ATOM 937 CD ARG A 61 7.191 -2.519 8.128 1.00 0.00 C ATOM 938 NE ARG A 61 8.583 -2.835 8.553 1.00 0.00 N ATOM 939 CZ ARG A 61 9.090 -2.256 9.607 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.256 -0.962 9.625 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.432 -2.972 10.644 1.00 0.00 N ATOM 0 H ARG A 61 5.028 0.926 5.535 1.00 0.00 H new ATOM 0 HA ARG A 61 5.015 -1.917 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.026 -0.406 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.514 -0.302 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.623 -3.082 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.177 -2.277 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.829 -1.637 8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.524 -3.341 8.388 1.00 0.00 H new ATOM 0 HE ARG A 61 9.140 -3.504 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.989 -0.402 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.652 -0.510 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.303 -3.984 10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.828 -2.520 11.468 1.00 0.00 H new ATOM 955 N ASP A 62 3.705 -0.791 7.891 1.00 0.00 N ATOM 956 CA ASP A 62 2.900 -1.223 9.068 1.00 0.00 C ATOM 957 C ASP A 62 1.594 -1.851 8.580 1.00 0.00 C ATOM 958 O ASP A 62 0.881 -2.491 9.329 1.00 0.00 O ATOM 959 CB ASP A 62 2.588 -0.009 9.947 1.00 0.00 C ATOM 960 CG ASP A 62 3.151 -0.238 11.351 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.447 -0.811 12.165 1.00 0.00 O ATOM 962 OD2 ASP A 62 4.279 0.166 11.589 1.00 0.00 O ATOM 0 H ASP A 62 3.801 0.218 7.777 1.00 0.00 H new ATOM 0 HA ASP A 62 3.463 -1.954 9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.023 0.890 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.511 0.150 9.997 1.00 0.00 H new ATOM 967 N ARG A 63 1.278 -1.678 7.325 1.00 0.00 N ATOM 968 CA ARG A 63 0.025 -2.269 6.780 1.00 0.00 C ATOM 969 C ARG A 63 0.389 -3.289 5.701 1.00 0.00 C ATOM 970 O ARG A 63 -0.439 -3.701 4.914 1.00 0.00 O ATOM 971 CB ARG A 63 -0.838 -1.164 6.165 1.00 0.00 C ATOM 972 CG ARG A 63 -2.241 -1.707 5.894 1.00 0.00 C ATOM 973 CD ARG A 63 -2.880 -0.923 4.746 1.00 0.00 C ATOM 974 NE ARG A 63 -2.793 0.536 5.034 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.773 1.139 5.650 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.625 0.445 6.354 1.00 0.00 N ATOM 977 NH2 ARG A 63 -3.900 2.434 5.563 1.00 0.00 N ATOM 0 H ARG A 63 1.836 -1.151 6.653 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.532 -2.756 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.891 -0.310 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.388 -0.809 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.190 -2.766 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.854 -1.623 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.372 -1.151 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.922 -1.219 4.624 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.968 1.064 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.525 -0.568 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.391 0.915 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.233 2.976 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.666 2.905 6.045 1.00 0.00 H new ATOM 991 N LEU A 64 1.628 -3.692 5.659 1.00 0.00 N ATOM 992 CA LEU A 64 2.060 -4.678 4.631 1.00 0.00 C ATOM 993 C LEU A 64 1.915 -6.099 5.189 1.00 0.00 C ATOM 994 O LEU A 64 2.549 -6.436 6.170 1.00 0.00 O ATOM 995 CB LEU A 64 3.533 -4.428 4.292 1.00 0.00 C ATOM 996 CG LEU A 64 3.694 -4.113 2.803 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.159 -4.294 2.411 1.00 0.00 C ATOM 998 CD2 LEU A 64 2.830 -5.064 1.971 1.00 0.00 C ATOM 0 H LEU A 64 2.362 -3.380 6.295 1.00 0.00 H new ATOM 0 HA LEU A 64 1.443 -4.570 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.914 -3.599 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.126 -5.305 4.550 1.00 0.00 H new ATOM 0 HG LEU A 64 3.380 -3.086 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.282 -4.071 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.779 -3.617 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.463 -5.323 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.950 -4.833 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.140 -6.093 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.784 -4.944 2.252 1.00 0.00 H new ATOM 1010 N PRO A 65 1.098 -6.900 4.550 1.00 0.00 N ATOM 1011 CA PRO A 65 0.890 -8.272 4.980 1.00 0.00 C ATOM 1012 C PRO A 65 2.243 -8.964 5.182 1.00 0.00 C ATOM 1013 O PRO A 65 2.681 -9.165 6.297 1.00 0.00 O ATOM 1014 CB PRO A 65 0.096 -8.917 3.846 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.624 -7.705 3.176 1.00 0.00 C ATOM 1016 CD PRO A 65 0.330 -6.490 3.364 1.00 0.00 C ATOM 0 HA PRO A 65 0.360 -8.346 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.748 -9.436 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.617 -9.651 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.811 -7.896 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.592 -7.518 3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.970 -6.333 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.216 -5.561 3.530 1.00 0.00 H new ATOM 1024 N GLU A 66 2.909 -9.322 4.116 1.00 0.00 N ATOM 1025 CA GLU A 66 4.230 -9.995 4.247 1.00 0.00 C ATOM 1026 C GLU A 66 4.739 -10.408 2.863 1.00 0.00 C ATOM 1027 O GLU A 66 5.926 -10.534 2.640 1.00 0.00 O ATOM 1028 CB GLU A 66 4.071 -11.245 5.105 1.00 0.00 C ATOM 1029 CG GLU A 66 5.412 -11.604 5.747 1.00 0.00 C ATOM 1030 CD GLU A 66 5.170 -12.294 7.090 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.307 -13.155 7.143 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.849 -11.950 8.043 1.00 0.00 O ATOM 0 H GLU A 66 2.592 -9.176 3.158 1.00 0.00 H new ATOM 0 HA GLU A 66 4.940 -9.309 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.321 -11.075 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.716 -12.075 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.979 -12.260 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.010 -10.704 5.892 1.00 0.00 H new ATOM 1039 N LYS A 67 3.850 -10.629 1.931 1.00 0.00 N ATOM 1040 CA LYS A 67 4.282 -11.051 0.564 1.00 0.00 C ATOM 1041 C LYS A 67 4.927 -9.884 -0.201 1.00 0.00 C ATOM 1042 O LYS A 67 5.152 -9.971 -1.391 1.00 0.00 O ATOM 1043 CB LYS A 67 3.065 -11.551 -0.216 1.00 0.00 C ATOM 1044 CG LYS A 67 3.354 -12.945 -0.778 1.00 0.00 C ATOM 1045 CD LYS A 67 3.830 -13.863 0.351 1.00 0.00 C ATOM 1046 CE LYS A 67 5.322 -14.148 0.182 1.00 0.00 C ATOM 1047 NZ LYS A 67 5.929 -14.428 1.515 1.00 0.00 N ATOM 0 H LYS A 67 2.842 -10.536 2.056 1.00 0.00 H new ATOM 0 HA LYS A 67 5.021 -11.845 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.191 -11.584 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.832 -10.862 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.456 -13.355 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.114 -12.884 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.646 -13.394 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.267 -14.796 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.467 -15.000 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.816 -13.294 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.944 -14.622 1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.802 -13.602 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.465 -15.255 1.941 1.00 0.00 H new ATOM 1061 N LEU A 68 5.233 -8.798 0.457 1.00 0.00 N ATOM 1062 CA LEU A 68 5.865 -7.653 -0.259 1.00 0.00 C ATOM 1063 C LEU A 68 6.955 -7.045 0.626 1.00 0.00 C ATOM 1064 O LEU A 68 7.474 -5.983 0.344 1.00 0.00 O ATOM 1065 CB LEU A 68 4.811 -6.586 -0.572 1.00 0.00 C ATOM 1066 CG LEU A 68 3.436 -7.241 -0.716 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.880 -7.566 0.671 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.487 -6.278 -1.432 1.00 0.00 C ATOM 0 H LEU A 68 5.074 -8.655 1.454 1.00 0.00 H new ATOM 0 HA LEU A 68 6.301 -8.009 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.787 -5.841 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.072 -6.062 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 68 3.528 -8.160 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.900 -8.033 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.557 -8.250 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.786 -6.647 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.507 -6.743 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.394 -5.360 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.884 -6.044 -2.420 1.00 0.00 H new ATOM 1080 N ARG A 69 7.306 -7.708 1.694 1.00 0.00 N ATOM 1081 CA ARG A 69 8.360 -7.165 2.596 1.00 0.00 C ATOM 1082 C ARG A 69 9.610 -6.828 1.779 1.00 0.00 C ATOM 1083 O ARG A 69 10.083 -5.709 1.785 1.00 0.00 O ATOM 1084 CB ARG A 69 8.713 -8.211 3.657 1.00 0.00 C ATOM 1085 CG ARG A 69 8.820 -7.536 5.025 1.00 0.00 C ATOM 1086 CD ARG A 69 10.139 -6.764 5.113 1.00 0.00 C ATOM 1087 NE ARG A 69 11.248 -7.709 5.424 1.00 0.00 N ATOM 1088 CZ ARG A 69 11.499 -8.036 6.663 1.00 0.00 C ATOM 1089 NH1 ARG A 69 12.000 -7.152 7.482 1.00 0.00 N ATOM 1090 NH2 ARG A 69 11.248 -9.245 7.082 1.00 0.00 N ATOM 0 H ARG A 69 6.908 -8.602 1.981 1.00 0.00 H new ATOM 0 HA ARG A 69 7.990 -6.263 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.951 -8.990 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.656 -8.696 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.979 -6.858 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.771 -8.284 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.337 -6.252 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.073 -5.997 5.885 1.00 0.00 H new ATOM 0 HE ARG A 69 11.811 -8.101 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.195 -6.206 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.196 -7.407 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.856 -9.935 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.444 -9.500 8.050 1.00 0.00 H new ATOM 1104 N TYR A 70 10.150 -7.788 1.078 1.00 0.00 N ATOM 1105 CA TYR A 70 11.369 -7.523 0.263 1.00 0.00 C ATOM 1106 C TYR A 70 11.215 -6.190 -0.469 1.00 0.00 C ATOM 1107 O TYR A 70 12.160 -5.441 -0.620 1.00 0.00 O ATOM 1108 CB TYR A 70 11.551 -8.642 -0.762 1.00 0.00 C ATOM 1109 CG TYR A 70 10.227 -8.948 -1.420 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.375 -9.910 -0.866 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.852 -8.268 -2.585 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.148 -10.193 -1.477 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.625 -8.551 -3.197 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.772 -9.513 -2.642 1.00 0.00 C ATOM 1115 OH TYR A 70 6.562 -9.792 -3.245 1.00 0.00 O ATOM 0 H TYR A 70 9.799 -8.745 1.035 1.00 0.00 H new ATOM 0 HA TYR A 70 12.239 -7.482 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.282 -8.344 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.941 -9.535 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.664 -10.434 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.509 -7.525 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.491 -10.936 -1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.337 -8.028 -4.097 1.00 0.00 H new ATOM 0 HH TYR A 70 5.831 -9.538 -2.644 1.00 0.00 H new ATOM 1125 N LEU A 71 10.032 -5.889 -0.926 1.00 0.00 N ATOM 1126 CA LEU A 71 9.814 -4.606 -1.651 1.00 0.00 C ATOM 1127 C LEU A 71 9.928 -3.441 -0.668 1.00 0.00 C ATOM 1128 O LEU A 71 10.624 -2.476 -0.913 1.00 0.00 O ATOM 1129 CB LEU A 71 8.420 -4.615 -2.279 1.00 0.00 C ATOM 1130 CG LEU A 71 8.497 -5.240 -3.669 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.167 -5.920 -4.000 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.779 -4.144 -4.695 1.00 0.00 C ATOM 0 H LEU A 71 9.205 -6.477 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 71 10.565 -4.492 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.730 -5.179 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.032 -3.599 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 71 9.296 -5.981 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.224 -6.366 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.963 -6.698 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.366 -5.181 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.835 -4.584 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.977 -3.406 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.726 -3.659 -4.458 1.00 0.00 H new ATOM 1144 N ALA A 72 9.258 -3.526 0.447 1.00 0.00 N ATOM 1145 CA ALA A 72 9.337 -2.427 1.446 1.00 0.00 C ATOM 1146 C ALA A 72 10.787 -2.275 1.911 1.00 0.00 C ATOM 1147 O ALA A 72 11.156 -1.288 2.518 1.00 0.00 O ATOM 1148 CB ALA A 72 8.447 -2.766 2.644 1.00 0.00 C ATOM 0 H ALA A 72 8.659 -4.309 0.709 1.00 0.00 H new ATOM 0 HA ALA A 72 8.998 -1.494 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.503 -1.962 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.416 -2.881 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.787 -3.696 3.098 1.00 0.00 H new ATOM 1154 N ASP A 73 11.612 -3.247 1.628 1.00 0.00 N ATOM 1155 CA ASP A 73 13.040 -3.163 2.051 1.00 0.00 C ATOM 1156 C ASP A 73 13.885 -2.621 0.895 1.00 0.00 C ATOM 1157 O ASP A 73 14.891 -1.971 1.100 1.00 0.00 O ATOM 1158 CB ASP A 73 13.541 -4.558 2.432 1.00 0.00 C ATOM 1159 CG ASP A 73 13.270 -4.811 3.917 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.869 -3.877 4.592 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.468 -5.932 4.352 1.00 0.00 O ATOM 0 H ASP A 73 11.359 -4.096 1.122 1.00 0.00 H new ATOM 0 HA ASP A 73 13.125 -2.496 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.040 -5.314 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.608 -4.641 2.227 1.00 0.00 H new ATOM 1166 N ALA A 74 13.487 -2.890 -0.318 1.00 0.00 N ATOM 1167 CA ALA A 74 14.268 -2.399 -1.488 1.00 0.00 C ATOM 1168 C ALA A 74 14.689 -0.944 -1.253 1.00 0.00 C ATOM 1169 O ALA A 74 14.183 -0.290 -0.363 1.00 0.00 O ATOM 1170 CB ALA A 74 13.399 -2.480 -2.746 1.00 0.00 C ATOM 0 H ALA A 74 12.653 -3.430 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 74 15.157 -3.016 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.967 -2.121 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.100 -3.514 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.511 -1.862 -2.615 1.00 0.00 H new ATOM 1176 N PRO A 75 15.604 -0.479 -2.068 1.00 0.00 N ATOM 1177 CA PRO A 75 16.100 0.887 -1.973 1.00 0.00 C ATOM 1178 C PRO A 75 15.015 1.867 -2.426 1.00 0.00 C ATOM 1179 O PRO A 75 14.001 1.474 -2.967 1.00 0.00 O ATOM 1180 CB PRO A 75 17.297 0.927 -2.919 1.00 0.00 C ATOM 1181 CG PRO A 75 17.001 -0.220 -3.934 1.00 0.00 C ATOM 1182 CD PRO A 75 16.201 -1.290 -3.139 1.00 0.00 C ATOM 0 HA PRO A 75 16.375 1.168 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.381 1.892 -3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.234 0.760 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.425 0.148 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.925 -0.638 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.444 -1.777 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.846 -2.076 -2.746 1.00 0.00 H new ATOM 1190 N GLN A 76 15.212 3.138 -2.207 1.00 0.00 N ATOM 1191 CA GLN A 76 14.179 4.127 -2.627 1.00 0.00 C ATOM 1192 C GLN A 76 14.839 5.288 -3.374 1.00 0.00 C ATOM 1193 O GLN A 76 14.411 6.419 -3.278 1.00 0.00 O ATOM 1194 CB GLN A 76 13.458 4.665 -1.388 1.00 0.00 C ATOM 1195 CG GLN A 76 14.486 5.179 -0.379 1.00 0.00 C ATOM 1196 CD GLN A 76 13.775 5.979 0.713 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.791 6.641 0.453 1.00 0.00 O ATOM 1198 NE2 GLN A 76 14.235 5.946 1.934 1.00 0.00 N ATOM 0 H GLN A 76 16.038 3.533 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 76 13.463 3.638 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.778 5.468 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.853 3.879 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.027 4.342 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.223 5.805 -0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.062 5.390 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.768 6.476 2.669 1.00 0.00 H new ATOM 1207 N GLN A 77 15.865 5.019 -4.136 1.00 0.00 N ATOM 1208 CA GLN A 77 16.534 6.113 -4.898 1.00 0.00 C ATOM 1209 C GLN A 77 17.823 5.582 -5.530 1.00 0.00 C ATOM 1210 O GLN A 77 18.083 4.395 -5.539 1.00 0.00 O ATOM 1211 CB GLN A 77 16.870 7.279 -3.960 1.00 0.00 C ATOM 1212 CG GLN A 77 17.365 6.747 -2.612 1.00 0.00 C ATOM 1213 CD GLN A 77 18.542 5.794 -2.833 1.00 0.00 C ATOM 1214 OE1 GLN A 77 19.672 6.224 -2.949 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.323 4.510 -2.897 1.00 0.00 N ATOM 0 H GLN A 77 16.268 4.091 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 77 15.860 6.465 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.634 7.911 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.988 7.902 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.671 7.576 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.557 6.228 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.374 4.149 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.101 3.867 -3.044 1.00 0.00 H new ATOM 1224 N ASP A 78 18.631 6.458 -6.058 1.00 0.00 N ATOM 1225 CA ASP A 78 19.909 6.026 -6.691 1.00 0.00 C ATOM 1226 C ASP A 78 21.044 6.891 -6.138 1.00 0.00 C ATOM 1227 O ASP A 78 20.790 7.885 -5.487 1.00 0.00 O ATOM 1228 CB ASP A 78 19.802 6.227 -8.206 1.00 0.00 C ATOM 1229 CG ASP A 78 19.063 7.533 -8.492 1.00 0.00 C ATOM 1230 OD1 ASP A 78 17.846 7.501 -8.551 1.00 0.00 O ATOM 1231 OD2 ASP A 78 19.728 8.543 -8.648 1.00 0.00 O ATOM 0 H ASP A 78 18.460 7.463 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 78 20.107 4.976 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.796 6.253 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.272 5.389 -8.659 1.00 0.00 H new ATOM 1236 N PRO A 79 22.265 6.505 -6.416 1.00 0.00 N ATOM 1237 CA PRO A 79 23.419 7.257 -5.955 1.00 0.00 C ATOM 1238 C PRO A 79 23.212 8.753 -6.217 1.00 0.00 C ATOM 1239 O PRO A 79 23.816 9.593 -5.581 1.00 0.00 O ATOM 1240 CB PRO A 79 24.581 6.701 -6.768 1.00 0.00 C ATOM 1241 CG PRO A 79 24.125 5.242 -7.090 1.00 0.00 C ATOM 1242 CD PRO A 79 22.574 5.297 -7.202 1.00 0.00 C ATOM 0 HA PRO A 79 23.594 7.159 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.750 7.280 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 79 25.512 6.716 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.572 4.889 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.436 4.553 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.240 5.384 -8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 79 22.101 4.406 -6.788 1.00 0.00 H new ATOM 1250 N GLU A 80 22.350 9.095 -7.141 1.00 0.00 N ATOM 1251 CA GLU A 80 22.096 10.536 -7.425 1.00 0.00 C ATOM 1252 C GLU A 80 20.971 11.032 -6.512 1.00 0.00 C ATOM 1253 O GLU A 80 21.025 12.125 -5.986 1.00 0.00 O ATOM 1254 CB GLU A 80 21.682 10.704 -8.888 1.00 0.00 C ATOM 1255 CG GLU A 80 21.822 12.173 -9.293 1.00 0.00 C ATOM 1256 CD GLU A 80 22.138 12.263 -10.788 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.300 12.137 -11.136 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.212 12.457 -11.558 1.00 0.00 O ATOM 0 H GLU A 80 21.813 8.439 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 80 23.002 11.114 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.305 10.079 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.652 10.374 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.900 12.711 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.615 12.647 -8.714 1.00 0.00 H new ATOM 1265 N GLY A 81 19.957 10.231 -6.307 1.00 0.00 N ATOM 1266 CA GLY A 81 18.842 10.657 -5.414 1.00 0.00 C ATOM 1267 C GLY A 81 17.487 10.363 -6.066 1.00 0.00 C ATOM 1268 O GLY A 81 16.504 10.147 -5.385 1.00 0.00 O ATOM 0 H GLY A 81 19.854 9.303 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.913 10.135 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.926 11.723 -5.202 1.00 0.00 H new ATOM 1272 N ASN A 82 17.414 10.362 -7.372 1.00 0.00 N ATOM 1273 CA ASN A 82 16.096 10.087 -8.034 1.00 0.00 C ATOM 1274 C ASN A 82 15.434 8.897 -7.339 1.00 0.00 C ATOM 1275 O ASN A 82 15.731 7.755 -7.629 1.00 0.00 O ATOM 1276 CB ASN A 82 16.255 9.757 -9.530 1.00 0.00 C ATOM 1277 CG ASN A 82 17.681 10.022 -10.016 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.183 11.122 -9.900 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.355 9.051 -10.570 1.00 0.00 N ATOM 0 H ASN A 82 18.195 10.537 -8.004 1.00 0.00 H new ATOM 0 HA ASN A 82 15.486 10.987 -7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.000 8.711 -9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.554 10.356 -10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.304 9.216 -10.906 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.933 8.128 -10.667 1.00 0.00 H new ATOM 1286 N LYS A 83 14.545 9.149 -6.418 1.00 0.00 N ATOM 1287 CA LYS A 83 13.881 8.024 -5.708 1.00 0.00 C ATOM 1288 C LYS A 83 13.470 6.952 -6.712 1.00 0.00 C ATOM 1289 O LYS A 83 13.103 7.240 -7.832 1.00 0.00 O ATOM 1290 CB LYS A 83 12.647 8.529 -4.970 1.00 0.00 C ATOM 1291 CG LYS A 83 13.084 9.200 -3.670 1.00 0.00 C ATOM 1292 CD LYS A 83 13.018 10.718 -3.833 1.00 0.00 C ATOM 1293 CE LYS A 83 12.052 11.304 -2.802 1.00 0.00 C ATOM 1294 NZ LYS A 83 12.702 12.450 -2.106 1.00 0.00 N ATOM 0 H LYS A 83 14.252 10.082 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 83 14.580 7.598 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.099 9.236 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.971 7.701 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.439 8.883 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.099 8.895 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.010 11.151 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.688 10.972 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.137 11.635 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.768 10.540 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.045 12.848 -1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.563 12.121 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.952 13.182 -2.801 1.00 0.00 H new ATOM 1308 N THR A 84 13.521 5.717 -6.311 1.00 0.00 N ATOM 1309 CA THR A 84 13.131 4.616 -7.235 1.00 0.00 C ATOM 1310 C THR A 84 11.828 3.990 -6.752 1.00 0.00 C ATOM 1311 O THR A 84 11.591 3.852 -5.567 1.00 0.00 O ATOM 1312 CB THR A 84 14.226 3.546 -7.275 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.777 2.447 -8.052 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.546 3.070 -5.858 1.00 0.00 C ATOM 0 H THR A 84 13.816 5.419 -5.381 1.00 0.00 H new ATOM 0 HA THR A 84 12.997 5.023 -8.237 1.00 0.00 H new ATOM 0 HB THR A 84 15.127 3.970 -7.719 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.549 1.976 -8.429 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.326 2.309 -5.897 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.892 3.913 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 84 13.649 2.647 -5.405 1.00 0.00 H new ATOM 1322 N MET A 85 10.976 3.617 -7.658 1.00 0.00 N ATOM 1323 CA MET A 85 9.685 3.012 -7.240 1.00 0.00 C ATOM 1324 C MET A 85 9.700 1.507 -7.510 1.00 0.00 C ATOM 1325 O MET A 85 10.666 0.961 -8.005 1.00 0.00 O ATOM 1326 CB MET A 85 8.539 3.671 -8.020 1.00 0.00 C ATOM 1327 CG MET A 85 8.451 3.084 -9.426 1.00 0.00 C ATOM 1328 SD MET A 85 6.889 3.582 -10.182 1.00 0.00 S ATOM 1329 CE MET A 85 5.902 2.247 -9.469 1.00 0.00 C ATOM 0 H MET A 85 11.115 3.703 -8.665 1.00 0.00 H new ATOM 0 HA MET A 85 9.539 3.175 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.596 3.517 -7.494 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.700 4.747 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.288 3.432 -10.031 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.518 1.997 -9.384 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.881 2.594 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.896 1.396 -10.150 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.333 1.945 -8.515 1.00 0.00 H new ATOM 1339 N VAL A 86 8.628 0.836 -7.191 1.00 0.00 N ATOM 1340 CA VAL A 86 8.567 -0.631 -7.433 1.00 0.00 C ATOM 1341 C VAL A 86 8.150 -0.892 -8.883 1.00 0.00 C ATOM 1342 O VAL A 86 7.361 -0.168 -9.454 1.00 0.00 O ATOM 1343 CB VAL A 86 7.540 -1.257 -6.489 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.252 -2.693 -6.927 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.097 -1.257 -5.063 1.00 0.00 C ATOM 0 H VAL A 86 7.791 1.242 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 86 9.547 -1.072 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 86 6.616 -0.679 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.520 -3.139 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.857 -2.691 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.174 -3.274 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.367 -1.703 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.020 -1.836 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.301 -0.232 -4.752 1.00 0.00 H new ATOM 1355 N ARG A 87 8.669 -1.929 -9.477 1.00 0.00 N ATOM 1356 CA ARG A 87 8.301 -2.254 -10.885 1.00 0.00 C ATOM 1357 C ARG A 87 8.055 -3.760 -10.988 1.00 0.00 C ATOM 1358 O ARG A 87 8.081 -4.467 -9.999 1.00 0.00 O ATOM 1359 CB ARG A 87 9.437 -1.862 -11.832 1.00 0.00 C ATOM 1360 CG ARG A 87 10.036 -0.528 -11.388 1.00 0.00 C ATOM 1361 CD ARG A 87 9.086 0.604 -11.777 1.00 0.00 C ATOM 1362 NE ARG A 87 9.875 1.818 -12.130 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.747 2.359 -13.310 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.814 3.246 -13.523 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.552 2.013 -14.277 1.00 0.00 N ATOM 0 H ARG A 87 9.336 -2.570 -9.047 1.00 0.00 H new ATOM 0 HA ARG A 87 7.404 -1.701 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.206 -2.635 -11.834 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.062 -1.782 -12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.197 -0.529 -10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.009 -0.379 -11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.469 0.300 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.409 0.825 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 87 10.515 2.226 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.185 3.516 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.714 3.669 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.281 1.320 -14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.452 2.436 -15.200 1.00 0.00 H new ATOM 1379 N PHE A 88 7.826 -4.264 -12.168 1.00 0.00 N ATOM 1380 CA PHE A 88 7.592 -5.728 -12.307 1.00 0.00 C ATOM 1381 C PHE A 88 8.127 -6.214 -13.653 1.00 0.00 C ATOM 1382 O PHE A 88 7.758 -5.716 -14.697 1.00 0.00 O ATOM 1383 CB PHE A 88 6.095 -6.027 -12.224 1.00 0.00 C ATOM 1384 CG PHE A 88 5.878 -7.513 -12.382 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.938 -8.351 -11.263 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.618 -8.053 -13.648 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.739 -9.728 -11.407 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.420 -9.431 -13.793 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.481 -10.269 -12.672 1.00 0.00 C ATOM 0 H PHE A 88 7.791 -3.730 -13.036 1.00 0.00 H new ATOM 0 HA PHE A 88 8.111 -6.245 -11.500 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.696 -5.688 -11.268 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.559 -5.484 -13.003 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.138 -7.934 -10.287 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.570 -7.406 -14.512 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.784 -10.374 -10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.220 -9.848 -14.769 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.329 -11.332 -12.784 1.00 0.00 H new ATOM 1399 N SER A 89 8.988 -7.193 -13.634 1.00 0.00 N ATOM 1400 CA SER A 89 9.540 -7.725 -14.909 1.00 0.00 C ATOM 1401 C SER A 89 8.805 -9.017 -15.267 1.00 0.00 C ATOM 1402 O SER A 89 8.586 -9.869 -14.429 1.00 0.00 O ATOM 1403 CB SER A 89 11.032 -8.014 -14.739 1.00 0.00 C ATOM 1404 OG SER A 89 11.699 -6.824 -14.342 1.00 0.00 O ATOM 0 H SER A 89 9.333 -7.648 -12.789 1.00 0.00 H new ATOM 0 HA SER A 89 9.406 -6.992 -15.704 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.180 -8.794 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.451 -8.385 -15.674 1.00 0.00 H new ATOM 0 HG SER A 89 11.041 -6.113 -14.197 1.00 0.00 H new ATOM 1410 N ARG A 90 8.417 -9.169 -16.504 1.00 0.00 N ATOM 1411 CA ARG A 90 7.694 -10.407 -16.906 1.00 0.00 C ATOM 1412 C ARG A 90 8.707 -11.465 -17.341 1.00 0.00 C ATOM 1413 O ARG A 90 8.414 -12.643 -17.370 1.00 0.00 O ATOM 1414 CB ARG A 90 6.748 -10.093 -18.067 1.00 0.00 C ATOM 1415 CG ARG A 90 6.011 -8.783 -17.787 1.00 0.00 C ATOM 1416 CD ARG A 90 6.159 -7.846 -18.988 1.00 0.00 C ATOM 1417 NE ARG A 90 4.817 -7.340 -19.391 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.363 -6.223 -18.889 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.690 -5.872 -17.676 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.582 -5.458 -19.602 1.00 0.00 N ATOM 0 H ARG A 90 8.569 -8.491 -17.251 1.00 0.00 H new ATOM 0 HA ARG A 90 7.115 -10.783 -16.062 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.311 -10.014 -18.997 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.032 -10.905 -18.196 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.957 -8.981 -17.595 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.415 -8.310 -16.892 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.813 -7.012 -18.734 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.625 -8.374 -19.820 1.00 0.00 H new ATOM 0 HE ARG A 90 4.253 -7.866 -20.059 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.301 -6.470 -17.119 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.335 -5.000 -17.284 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.327 -5.733 -20.551 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.227 -4.586 -19.211 1.00 0.00 H new ATOM 1434 N LYS A 91 9.899 -11.055 -17.672 1.00 0.00 N ATOM 1435 CA LYS A 91 10.930 -12.041 -18.097 1.00 0.00 C ATOM 1436 C LYS A 91 11.207 -12.999 -16.939 1.00 0.00 C ATOM 1437 O LYS A 91 11.670 -14.106 -17.132 1.00 0.00 O ATOM 1438 CB LYS A 91 12.219 -11.305 -18.471 1.00 0.00 C ATOM 1439 CG LYS A 91 11.913 -10.249 -19.535 1.00 0.00 C ATOM 1440 CD LYS A 91 12.763 -9.003 -19.278 1.00 0.00 C ATOM 1441 CE LYS A 91 11.871 -7.873 -18.759 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.885 -6.744 -19.730 1.00 0.00 N ATOM 0 H LYS A 91 10.203 -10.082 -17.667 1.00 0.00 H new ATOM 0 HA LYS A 91 10.572 -12.600 -18.962 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.650 -10.833 -17.588 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.958 -12.012 -18.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.123 -10.647 -20.528 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.854 -9.991 -19.512 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.544 -9.227 -18.551 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.261 -8.694 -20.197 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.852 -8.234 -18.620 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.225 -7.534 -17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.279 -5.976 -19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.858 -6.394 -19.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.528 -7.073 -20.650 1.00 0.00 H new ATOM 1456 N THR A 92 10.929 -12.581 -15.733 1.00 0.00 N ATOM 1457 CA THR A 92 11.175 -13.468 -14.562 1.00 0.00 C ATOM 1458 C THR A 92 10.002 -13.369 -13.585 1.00 0.00 C ATOM 1459 O THR A 92 10.025 -13.945 -12.515 1.00 0.00 O ATOM 1460 CB THR A 92 12.459 -13.031 -13.854 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.421 -11.628 -13.632 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.669 -13.379 -14.722 1.00 0.00 C ATOM 0 H THR A 92 10.542 -11.664 -15.509 1.00 0.00 H new ATOM 0 HA THR A 92 11.276 -14.498 -14.905 1.00 0.00 H new ATOM 0 HB THR A 92 12.541 -13.549 -12.899 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.242 -11.346 -13.177 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.582 -13.067 -14.215 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.698 -14.455 -14.891 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.591 -12.863 -15.679 1.00 0.00 H new ATOM 1470 N LYS A 93 8.976 -12.643 -13.939 1.00 0.00 N ATOM 1471 CA LYS A 93 7.810 -12.511 -13.021 1.00 0.00 C ATOM 1472 C LYS A 93 8.308 -12.141 -11.624 1.00 0.00 C ATOM 1473 O LYS A 93 8.040 -12.827 -10.657 1.00 0.00 O ATOM 1474 CB LYS A 93 7.055 -13.840 -12.959 1.00 0.00 C ATOM 1475 CG LYS A 93 6.207 -14.006 -14.223 1.00 0.00 C ATOM 1476 CD LYS A 93 5.915 -15.490 -14.451 1.00 0.00 C ATOM 1477 CE LYS A 93 6.029 -15.810 -15.942 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.674 -15.786 -16.561 1.00 0.00 N ATOM 0 H LYS A 93 8.895 -12.137 -14.821 1.00 0.00 H new ATOM 0 HA LYS A 93 7.141 -11.733 -13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.760 -14.667 -12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.418 -13.868 -12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.274 -13.452 -14.123 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.733 -13.592 -15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.616 -16.101 -13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.915 -15.734 -14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.677 -15.083 -16.432 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.486 -16.790 -16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.752 -16.004 -17.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.069 -16.495 -16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.254 -14.842 -16.441 1.00 0.00 H new ATOM 1492 N GLN A 94 9.037 -11.063 -11.508 1.00 0.00 N ATOM 1493 CA GLN A 94 9.554 -10.655 -10.171 1.00 0.00 C ATOM 1494 C GLN A 94 9.326 -9.156 -9.963 1.00 0.00 C ATOM 1495 O GLN A 94 8.676 -8.502 -10.754 1.00 0.00 O ATOM 1496 CB GLN A 94 11.053 -10.955 -10.089 1.00 0.00 C ATOM 1497 CG GLN A 94 11.273 -12.469 -10.077 1.00 0.00 C ATOM 1498 CD GLN A 94 12.714 -12.784 -10.491 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.013 -13.891 -10.891 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.624 -11.852 -10.410 1.00 0.00 N ATOM 0 H GLN A 94 9.296 -10.449 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 94 9.026 -11.212 -9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.571 -10.509 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.475 -10.509 -9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.075 -12.867 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.574 -12.953 -10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.373 -10.922 -10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.586 -12.053 -10.683 1.00 0.00 H new ATOM 1509 N GLN A 95 9.860 -8.607 -8.904 1.00 0.00 N ATOM 1510 CA GLN A 95 9.676 -7.150 -8.646 1.00 0.00 C ATOM 1511 C GLN A 95 11.029 -6.441 -8.738 1.00 0.00 C ATOM 1512 O GLN A 95 11.995 -6.841 -8.119 1.00 0.00 O ATOM 1513 CB GLN A 95 9.090 -6.945 -7.246 1.00 0.00 C ATOM 1514 CG GLN A 95 7.919 -5.964 -7.322 1.00 0.00 C ATOM 1515 CD GLN A 95 6.694 -6.674 -7.899 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.765 -7.828 -8.272 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.563 -6.029 -7.987 1.00 0.00 N ATOM 0 H GLN A 95 10.415 -9.105 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 95 8.994 -6.736 -9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.754 -7.898 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.856 -6.562 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.693 -5.574 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.185 -5.111 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.503 -5.060 -7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.739 -6.494 -8.369 1.00 0.00 H new ATOM 1526 N TYR A 96 11.104 -5.386 -9.503 1.00 0.00 N ATOM 1527 CA TYR A 96 12.392 -4.645 -9.630 1.00 0.00 C ATOM 1528 C TYR A 96 12.122 -3.145 -9.475 1.00 0.00 C ATOM 1529 O TYR A 96 11.153 -2.628 -9.983 1.00 0.00 O ATOM 1530 CB TYR A 96 13.011 -4.929 -11.005 1.00 0.00 C ATOM 1531 CG TYR A 96 12.297 -4.129 -12.070 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.659 -2.797 -12.302 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.277 -4.719 -12.826 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.001 -2.055 -13.291 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.619 -3.977 -13.813 1.00 0.00 C ATOM 1536 CZ TYR A 96 10.980 -2.644 -14.046 1.00 0.00 C ATOM 1537 OH TYR A 96 10.332 -1.914 -15.020 1.00 0.00 O ATOM 0 H TYR A 96 10.329 -5.005 -10.046 1.00 0.00 H new ATOM 0 HA TYR A 96 13.087 -4.969 -8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.070 -4.673 -10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.942 -5.993 -11.231 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.445 -2.342 -11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.998 -5.747 -12.647 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.282 -1.028 -13.471 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.832 -4.433 -14.396 1.00 0.00 H new ATOM 0 HH TYR A 96 9.652 -2.473 -15.450 1.00 0.00 H new ATOM 1547 N VAL A 97 12.968 -2.442 -8.777 1.00 0.00 N ATOM 1548 CA VAL A 97 12.738 -0.973 -8.600 1.00 0.00 C ATOM 1549 C VAL A 97 13.435 -0.207 -9.722 1.00 0.00 C ATOM 1550 O VAL A 97 14.279 -0.733 -10.419 1.00 0.00 O ATOM 1551 CB VAL A 97 13.293 -0.487 -7.250 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.140 -0.266 -6.275 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.261 -1.516 -6.659 1.00 0.00 C ATOM 0 H VAL A 97 13.803 -2.812 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 97 11.663 -0.792 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 97 13.830 0.448 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.533 0.078 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.460 0.484 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.602 -1.203 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.641 -1.152 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.739 -2.460 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.093 -1.670 -7.346 1.00 0.00 H new ATOM 1563 N SER A 98 13.088 1.036 -9.895 1.00 0.00 N ATOM 1564 CA SER A 98 13.728 1.852 -10.961 1.00 0.00 C ATOM 1565 C SER A 98 13.739 3.320 -10.528 1.00 0.00 C ATOM 1566 O SER A 98 12.703 3.926 -10.334 1.00 0.00 O ATOM 1567 CB SER A 98 12.941 1.700 -12.262 1.00 0.00 C ATOM 1568 OG SER A 98 13.679 0.888 -13.166 1.00 0.00 O ATOM 0 H SER A 98 12.385 1.524 -9.341 1.00 0.00 H new ATOM 0 HA SER A 98 14.751 1.513 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.969 1.250 -12.062 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.754 2.679 -12.704 1.00 0.00 H new ATOM 0 HG SER A 98 13.258 0.917 -14.050 1.00 0.00 H new ATOM 1574 N SER A 99 14.900 3.898 -10.367 1.00 0.00 N ATOM 1575 CA SER A 99 14.970 5.322 -9.940 1.00 0.00 C ATOM 1576 C SER A 99 14.032 6.161 -10.811 1.00 0.00 C ATOM 1577 O SER A 99 13.572 5.721 -11.846 1.00 0.00 O ATOM 1578 CB SER A 99 16.399 5.834 -10.104 1.00 0.00 C ATOM 1579 OG SER A 99 17.237 5.199 -9.147 1.00 0.00 O ATOM 0 H SER A 99 15.802 3.444 -10.513 1.00 0.00 H new ATOM 0 HA SER A 99 14.671 5.401 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.758 5.628 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.428 6.915 -9.970 1.00 0.00 H new ATOM 0 HG SER A 99 17.351 5.787 -8.371 1.00 0.00 H new ATOM 1585 N GLU A 100 13.750 7.367 -10.403 1.00 0.00 N ATOM 1586 CA GLU A 100 12.846 8.235 -11.210 1.00 0.00 C ATOM 1587 C GLU A 100 13.222 9.702 -10.990 1.00 0.00 C ATOM 1588 O GLU A 100 13.379 10.150 -9.872 1.00 0.00 O ATOM 1589 CB GLU A 100 11.397 8.008 -10.775 1.00 0.00 C ATOM 1590 CG GLU A 100 10.703 7.078 -11.772 1.00 0.00 C ATOM 1591 CD GLU A 100 9.680 6.212 -11.037 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.015 6.734 -10.155 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.576 5.042 -11.367 1.00 0.00 O ATOM 0 H GLU A 100 14.106 7.790 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 100 12.950 7.987 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.370 7.572 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.869 8.960 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.209 7.663 -12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.439 6.446 -12.269 1.00 0.00 H new ATOM 1600 N LYS A 101 13.365 10.455 -12.046 1.00 0.00 N ATOM 1601 CA LYS A 101 13.727 11.892 -11.890 1.00 0.00 C ATOM 1602 C LYS A 101 12.463 12.753 -11.935 1.00 0.00 C ATOM 1603 O LYS A 101 12.191 13.421 -12.913 1.00 0.00 O ATOM 1604 CB LYS A 101 14.667 12.308 -13.006 1.00 0.00 C ATOM 1605 CG LYS A 101 15.940 12.840 -12.361 1.00 0.00 C ATOM 1606 CD LYS A 101 16.399 14.091 -13.099 1.00 0.00 C ATOM 1607 CE LYS A 101 17.715 13.807 -13.825 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.183 15.045 -14.507 1.00 0.00 N ATOM 0 H LYS A 101 13.247 10.138 -13.008 1.00 0.00 H new ATOM 0 HA LYS A 101 14.223 12.033 -10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.891 11.460 -13.654 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.205 13.073 -13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.760 13.070 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.721 12.080 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.638 14.403 -13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.531 14.913 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.467 13.463 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.576 13.008 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.078 14.852 -15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.467 15.354 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.331 15.795 -13.802 1.00 0.00 H new ATOM 1622 N ASP A 102 11.690 12.743 -10.885 1.00 0.00 N ATOM 1623 CA ASP A 102 10.445 13.560 -10.868 1.00 0.00 C ATOM 1624 C ASP A 102 9.402 12.920 -11.787 1.00 0.00 C ATOM 1625 O ASP A 102 8.375 13.502 -12.078 1.00 0.00 O ATOM 1626 CB ASP A 102 10.757 14.976 -11.359 1.00 0.00 C ATOM 1627 CG ASP A 102 10.004 15.992 -10.499 1.00 0.00 C ATOM 1628 OD1 ASP A 102 9.179 15.571 -9.705 1.00 0.00 O ATOM 1629 OD2 ASP A 102 10.265 17.174 -10.650 1.00 0.00 O ATOM 0 H ASP A 102 11.867 12.204 -10.037 1.00 0.00 H new ATOM 0 HA ASP A 102 10.054 13.606 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.830 15.163 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.466 15.082 -12.404 1.00 0.00 H new ATOM 1634 N GLY A 103 9.658 11.727 -12.249 1.00 0.00 N ATOM 1635 CA GLY A 103 8.682 11.050 -13.150 1.00 0.00 C ATOM 1636 C GLY A 103 9.250 10.996 -14.569 1.00 0.00 C ATOM 1637 O GLY A 103 8.646 11.475 -15.508 1.00 0.00 O ATOM 0 H GLY A 103 10.501 11.191 -12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.478 10.042 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.734 11.588 -13.147 1.00 0.00 H new ATOM 1641 N LYS A 104 10.407 10.416 -14.733 1.00 0.00 N ATOM 1642 CA LYS A 104 11.013 10.333 -16.091 1.00 0.00 C ATOM 1643 C LYS A 104 11.876 9.073 -16.189 1.00 0.00 C ATOM 1644 O LYS A 104 12.699 8.942 -17.074 1.00 0.00 O ATOM 1645 CB LYS A 104 11.884 11.566 -16.338 1.00 0.00 C ATOM 1646 CG LYS A 104 13.056 11.568 -15.355 1.00 0.00 C ATOM 1647 CD LYS A 104 14.320 12.055 -16.067 1.00 0.00 C ATOM 1648 CE LYS A 104 14.044 13.404 -16.733 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.214 13.793 -17.571 1.00 0.00 N ATOM 0 H LYS A 104 10.959 9.996 -13.985 1.00 0.00 H new ATOM 0 HA LYS A 104 10.221 10.291 -16.839 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.255 11.563 -17.363 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.292 12.473 -16.216 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.832 12.215 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.213 10.565 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.138 12.151 -15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.633 11.326 -16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.147 13.341 -17.349 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.857 14.165 -15.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.027 14.710 -18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.060 13.869 -16.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.372 13.071 -18.303 1.00 0.00 H new ATOM 1663 N ALA A 105 11.698 8.147 -15.288 1.00 0.00 N ATOM 1664 CA ALA A 105 12.512 6.900 -15.332 1.00 0.00 C ATOM 1665 C ALA A 105 13.973 7.260 -15.602 1.00 0.00 C ATOM 1666 O ALA A 105 14.484 7.052 -16.685 1.00 0.00 O ATOM 1667 CB ALA A 105 11.995 5.991 -16.448 1.00 0.00 C ATOM 0 H ALA A 105 11.025 8.200 -14.524 1.00 0.00 H new ATOM 0 HA ALA A 105 12.434 6.379 -14.377 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.591 5.079 -16.480 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.952 5.737 -16.257 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.073 6.509 -17.404 1.00 0.00 H new ATOM 1673 N THR A 106 14.647 7.802 -14.627 1.00 0.00 N ATOM 1674 CA THR A 106 16.075 8.181 -14.824 1.00 0.00 C ATOM 1675 C THR A 106 16.805 7.064 -15.573 1.00 0.00 C ATOM 1676 O THR A 106 17.475 7.301 -16.558 1.00 0.00 O ATOM 1677 CB THR A 106 16.734 8.397 -13.460 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.174 7.494 -12.517 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.490 9.835 -12.999 1.00 0.00 C ATOM 0 H THR A 106 14.270 8.000 -13.700 1.00 0.00 H new ATOM 0 HA THR A 106 16.130 9.101 -15.407 1.00 0.00 H new ATOM 0 HB THR A 106 17.806 8.219 -13.540 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.804 7.997 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.959 9.990 -12.027 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.919 10.527 -13.724 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.418 10.014 -12.917 1.00 0.00 H new ATOM 1687 N GLY A 107 16.681 5.849 -15.115 1.00 0.00 N ATOM 1688 CA GLY A 107 17.370 4.720 -15.804 1.00 0.00 C ATOM 1689 C GLY A 107 17.742 3.648 -14.780 1.00 0.00 C ATOM 1690 O GLY A 107 17.644 2.466 -15.040 1.00 0.00 O ATOM 0 H GLY A 107 16.133 5.589 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.720 4.296 -16.570 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.265 5.081 -16.310 1.00 0.00 H new ATOM 1694 N TRP A 108 18.168 4.053 -13.614 1.00 0.00 N ATOM 1695 CA TRP A 108 18.546 3.056 -12.573 1.00 0.00 C ATOM 1696 C TRP A 108 17.418 2.035 -12.416 1.00 0.00 C ATOM 1697 O TRP A 108 16.263 2.385 -12.278 1.00 0.00 O ATOM 1698 CB TRP A 108 18.773 3.773 -11.240 1.00 0.00 C ATOM 1699 CG TRP A 108 19.406 2.833 -10.264 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.715 2.493 -10.249 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.784 2.112 -9.160 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.936 1.609 -9.208 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.775 1.344 -8.508 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.467 2.052 -8.669 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.471 0.543 -7.405 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.158 1.248 -7.561 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.157 0.496 -6.931 1.00 0.00 C ATOM 0 H TRP A 108 18.270 5.030 -13.338 1.00 0.00 H new ATOM 0 HA TRP A 108 19.462 2.545 -12.872 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.412 4.643 -11.388 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.824 4.138 -10.846 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.465 2.853 -10.937 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.845 1.203 -8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.689 2.628 -9.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.245 -0.035 -6.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.144 1.209 -7.192 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.912 -0.120 -6.079 1.00 0.00 H new ATOM 1718 N SER A 109 17.742 0.773 -12.436 1.00 0.00 N ATOM 1719 CA SER A 109 16.692 -0.271 -12.286 1.00 0.00 C ATOM 1720 C SER A 109 17.243 -1.416 -11.433 1.00 0.00 C ATOM 1721 O SER A 109 18.004 -2.239 -11.901 1.00 0.00 O ATOM 1722 CB SER A 109 16.301 -0.805 -13.665 1.00 0.00 C ATOM 1723 OG SER A 109 17.434 -1.416 -14.270 1.00 0.00 O ATOM 0 H SER A 109 18.692 0.419 -12.550 1.00 0.00 H new ATOM 0 HA SER A 109 15.814 0.158 -11.804 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.490 -1.527 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.933 0.008 -14.292 1.00 0.00 H new ATOM 0 HG SER A 109 17.967 -1.869 -13.584 1.00 0.00 H new ATOM 1729 N ALA A 110 16.872 -1.473 -10.183 1.00 0.00 N ATOM 1730 CA ALA A 110 17.387 -2.561 -9.305 1.00 0.00 C ATOM 1731 C ALA A 110 16.454 -3.770 -9.382 1.00 0.00 C ATOM 1732 O ALA A 110 15.270 -3.640 -9.616 1.00 0.00 O ATOM 1733 CB ALA A 110 17.456 -2.063 -7.860 1.00 0.00 C ATOM 0 H ALA A 110 16.236 -0.815 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 110 18.383 -2.851 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.833 -2.859 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.124 -1.204 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.460 -1.770 -7.528 1.00 0.00 H new ATOM 1739 N PHE A 111 16.983 -4.948 -9.191 1.00 0.00 N ATOM 1740 CA PHE A 111 16.129 -6.168 -9.257 1.00 0.00 C ATOM 1741 C PHE A 111 16.209 -6.933 -7.938 1.00 0.00 C ATOM 1742 O PHE A 111 17.267 -7.110 -7.374 1.00 0.00 O ATOM 1743 CB PHE A 111 16.616 -7.081 -10.387 1.00 0.00 C ATOM 1744 CG PHE A 111 16.755 -6.291 -11.663 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.935 -5.586 -11.923 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.707 -6.271 -12.591 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.070 -4.859 -13.110 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.842 -5.544 -13.779 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.023 -4.839 -14.038 1.00 0.00 C ATOM 0 H PHE A 111 17.969 -5.118 -8.992 1.00 0.00 H new ATOM 0 HA PHE A 111 15.099 -5.864 -9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.574 -7.526 -10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.913 -7.901 -10.532 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.743 -5.603 -11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.796 -6.816 -12.390 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.981 -4.314 -13.310 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.035 -5.527 -14.496 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.126 -4.279 -14.956 1.00 0.00 H new ATOM 1759 N TYR A 112 15.098 -7.400 -7.446 1.00 0.00 N ATOM 1760 CA TYR A 112 15.115 -8.162 -6.170 1.00 0.00 C ATOM 1761 C TYR A 112 15.373 -9.639 -6.465 1.00 0.00 C ATOM 1762 O TYR A 112 14.514 -10.341 -6.960 1.00 0.00 O ATOM 1763 CB TYR A 112 13.764 -8.018 -5.468 1.00 0.00 C ATOM 1764 CG TYR A 112 13.827 -8.690 -4.118 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.813 -8.317 -3.197 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.899 -9.685 -3.788 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.872 -8.940 -1.945 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.959 -10.308 -2.536 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.944 -9.935 -1.615 1.00 0.00 C ATOM 1770 OH TYR A 112 14.001 -10.549 -0.380 1.00 0.00 O ATOM 0 H TYR A 112 14.179 -7.287 -7.873 1.00 0.00 H new ATOM 0 HA TYR A 112 15.903 -7.771 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.513 -6.964 -5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.977 -8.467 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.528 -7.549 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.138 -9.971 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.633 -8.653 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.245 -11.077 -2.281 1.00 0.00 H new ATOM 0 HH TYR A 112 13.285 -11.215 -0.312 1.00 0.00 H new ATOM 1780 N VAL A 113 16.544 -10.125 -6.155 1.00 0.00 N ATOM 1781 CA VAL A 113 16.837 -11.555 -6.409 1.00 0.00 C ATOM 1782 C VAL A 113 16.526 -12.339 -5.136 1.00 0.00 C ATOM 1783 O VAL A 113 15.628 -11.993 -4.402 1.00 0.00 O ATOM 1784 CB VAL A 113 18.311 -11.722 -6.795 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.479 -12.996 -7.624 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.760 -10.519 -7.632 1.00 0.00 C ATOM 0 H VAL A 113 17.306 -9.591 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 113 16.226 -11.929 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 113 18.915 -11.788 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.527 -13.116 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.157 -13.857 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.873 -12.925 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.808 -10.638 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.153 -10.457 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.639 -9.605 -7.050 1.00 0.00 H new ATOM 1796 N ASP A 114 17.272 -13.362 -4.842 1.00 0.00 N ATOM 1797 CA ASP A 114 17.008 -14.135 -3.594 1.00 0.00 C ATOM 1798 C ASP A 114 17.376 -13.231 -2.438 1.00 0.00 C ATOM 1799 O ASP A 114 18.502 -13.228 -1.981 1.00 0.00 O ATOM 1800 CB ASP A 114 17.874 -15.397 -3.566 1.00 0.00 C ATOM 1801 CG ASP A 114 16.995 -16.626 -3.805 1.00 0.00 C ATOM 1802 OD1 ASP A 114 15.895 -16.454 -4.304 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.436 -17.717 -3.484 1.00 0.00 O ATOM 0 H ASP A 114 18.052 -13.699 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 114 15.964 -14.443 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.648 -15.336 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.381 -15.481 -2.605 1.00 0.00 H new ATOM 1808 N GLY A 115 16.463 -12.400 -2.003 1.00 0.00 N ATOM 1809 CA GLY A 115 16.825 -11.441 -0.935 1.00 0.00 C ATOM 1810 C GLY A 115 18.113 -10.778 -1.409 1.00 0.00 C ATOM 1811 O GLY A 115 18.947 -10.359 -0.631 1.00 0.00 O ATOM 0 H GLY A 115 15.501 -12.349 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.036 -10.704 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.972 -11.950 0.017 1.00 0.00 H new ATOM 1815 N LYS A 116 18.292 -10.736 -2.713 1.00 0.00 N ATOM 1816 CA LYS A 116 19.541 -10.164 -3.277 1.00 0.00 C ATOM 1817 C LYS A 116 19.236 -9.023 -4.247 1.00 0.00 C ATOM 1818 O LYS A 116 19.470 -9.137 -5.434 1.00 0.00 O ATOM 1819 CB LYS A 116 20.297 -11.263 -4.026 1.00 0.00 C ATOM 1820 CG LYS A 116 21.524 -11.686 -3.215 1.00 0.00 C ATOM 1821 CD LYS A 116 21.074 -12.330 -1.901 1.00 0.00 C ATOM 1822 CE LYS A 116 22.227 -12.298 -0.897 1.00 0.00 C ATOM 1823 NZ LYS A 116 21.757 -12.824 0.417 1.00 0.00 N ATOM 0 H LYS A 116 17.621 -11.076 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 116 20.143 -9.771 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.644 -12.120 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.604 -10.903 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.127 -12.390 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.153 -10.820 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.212 -11.797 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.759 -13.359 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.060 -12.898 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.595 -11.278 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.541 -12.802 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 20.976 -12.234 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.426 -13.803 0.301 1.00 0.00 H new ATOM 1837 N TRP A 117 18.737 -7.915 -3.769 1.00 0.00 N ATOM 1838 CA TRP A 117 18.455 -6.789 -4.700 1.00 0.00 C ATOM 1839 C TRP A 117 19.684 -6.575 -5.587 1.00 0.00 C ATOM 1840 O TRP A 117 20.770 -7.022 -5.274 1.00 0.00 O ATOM 1841 CB TRP A 117 18.176 -5.513 -3.906 1.00 0.00 C ATOM 1842 CG TRP A 117 16.720 -5.436 -3.572 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.203 -5.611 -2.335 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.588 -5.162 -4.454 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.831 -5.464 -2.397 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.403 -5.185 -3.680 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.471 -4.897 -5.836 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.151 -4.954 -4.251 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.213 -4.666 -6.410 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.054 -4.692 -5.619 1.00 0.00 C ATOM 0 H TRP A 117 18.516 -7.743 -2.788 1.00 0.00 H new ATOM 0 HA TRP A 117 17.582 -7.024 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.770 -5.505 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.473 -4.640 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.771 -5.830 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.209 -5.551 -1.593 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.356 -4.872 -6.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.262 -4.978 -3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.135 -4.467 -7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.089 -4.510 -6.068 1.00 0.00 H new ATOM 1861 N VAL A 118 19.528 -5.902 -6.691 1.00 0.00 N ATOM 1862 CA VAL A 118 20.694 -5.669 -7.591 1.00 0.00 C ATOM 1863 C VAL A 118 20.499 -4.348 -8.338 1.00 0.00 C ATOM 1864 O VAL A 118 19.552 -3.628 -8.101 1.00 0.00 O ATOM 1865 CB VAL A 118 20.806 -6.818 -8.604 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.777 -7.871 -8.080 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.440 -7.467 -8.807 1.00 0.00 C ATOM 0 H VAL A 118 18.645 -5.503 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 118 21.607 -5.624 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 118 21.167 -6.418 -9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.855 -8.685 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.759 -7.420 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.413 -8.261 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.527 -8.281 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.079 -7.860 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.737 -6.724 -9.183 1.00 0.00 H new ATOM 1877 N GLU A 119 21.389 -4.026 -9.236 1.00 0.00 N ATOM 1878 CA GLU A 119 21.251 -2.751 -9.996 1.00 0.00 C ATOM 1879 C GLU A 119 21.725 -2.963 -11.436 1.00 0.00 C ATOM 1880 O GLU A 119 22.905 -2.932 -11.724 1.00 0.00 O ATOM 1881 CB GLU A 119 22.103 -1.666 -9.332 1.00 0.00 C ATOM 1882 CG GLU A 119 23.580 -2.055 -9.406 1.00 0.00 C ATOM 1883 CD GLU A 119 24.294 -1.598 -8.133 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.630 -0.428 -8.053 1.00 0.00 O ATOM 1885 OE2 GLU A 119 24.493 -2.426 -7.259 1.00 0.00 O ATOM 0 H GLU A 119 22.205 -4.589 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 119 20.206 -2.440 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.943 -0.709 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.802 -1.539 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.677 -3.134 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 119 24.044 -1.597 -10.280 1.00 0.00 H new ATOM 1892 N GLY A 120 20.812 -3.179 -12.344 1.00 0.00 N ATOM 1893 CA GLY A 120 21.209 -3.394 -13.764 1.00 0.00 C ATOM 1894 C GLY A 120 22.222 -2.326 -14.181 1.00 0.00 C ATOM 1895 O GLY A 120 23.274 -2.628 -14.710 1.00 0.00 O ATOM 0 H GLY A 120 19.809 -3.216 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.642 -4.387 -13.885 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.331 -3.348 -14.409 1.00 0.00 H new