USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= -7.14! C(o=-7.1!,f=-10!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -117:sc=-0.00645 (180deg=0) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 3.1: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 94 GLN : amide:sc= -2.98! C(o=-3!,f=-3.2!) USER MOD Set 4.1: A 84 THR OG1 : rot -113:sc= -4.43! USER MOD Set 4.2: A 99 SER OG : rot 141:sc= -3.7! USER MOD Set 5.1: A 23 SER OG : rot -130:sc= 0 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 20 CYS SG : rot 3:sc= -22! USER MOD Set 6.2: A 42 THR OG1 : rot 56:sc= -2.69! USER MOD Set 6.3: A 46 SER OG : rot -150:sc= -3.11! USER MOD Set 7.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 41 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.6) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 111:sc= 1 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.0248 (180deg=-0.572) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -5.85! C(o=-5.8!,f=-7.5!) USER MOD Single : A 77 GLN : amide:sc= -4.58! C(o=-4.6!,f=-8.9!) USER MOD Single : A 85 MET CE :methyl 158:sc= -8.74! (180deg=-12!) USER MOD Single : A 89 SER OG : rot 28:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.178 (180deg=-0.747) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.073) USER MOD Single : A 95 GLN : amide:sc= -6.1 K(o=-6.1,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.222 USER MOD Single : A 98 SER OG : rot 110:sc= -0.0247 USER MOD Single : A 106 THR OG1 : rot -94:sc= 0.561 USER MOD Single : A 109 SER OG : rot 180:sc= -1.97! USER MOD Single : A 112 TYR OH : rot 180:sc= -0.736 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -6.735 -7.785 -1.259 1.00 0.00 N ATOM 160 CA PRO A 12 -5.600 -6.916 -1.519 1.00 0.00 C ATOM 161 C PRO A 12 -5.182 -6.185 -0.242 1.00 0.00 C ATOM 162 O PRO A 12 -5.543 -6.566 0.853 1.00 0.00 O ATOM 163 CB PRO A 12 -6.117 -5.923 -2.551 1.00 0.00 C ATOM 164 CG PRO A 12 -7.658 -5.876 -2.289 1.00 0.00 C ATOM 165 CD PRO A 12 -8.041 -7.257 -1.679 1.00 0.00 C ATOM 0 HA PRO A 12 -4.725 -7.465 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.660 -4.941 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.894 -6.250 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.911 -5.066 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.204 -5.695 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.728 -7.154 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.526 -7.904 -2.410 1.00 0.00 H new ATOM 173 N VAL A 13 -4.429 -5.128 -0.381 1.00 0.00 N ATOM 174 CA VAL A 13 -3.991 -4.356 0.815 1.00 0.00 C ATOM 175 C VAL A 13 -4.518 -2.924 0.700 1.00 0.00 C ATOM 176 O VAL A 13 -3.784 -2.026 0.341 1.00 0.00 O ATOM 177 CB VAL A 13 -2.463 -4.335 0.881 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.016 -3.769 2.229 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.928 -5.761 0.726 1.00 0.00 C ATOM 0 H VAL A 13 -4.098 -4.765 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.381 -4.823 1.719 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.074 -3.709 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.927 -3.755 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.397 -2.754 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.405 -4.394 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.839 -5.748 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.318 -6.385 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.245 -6.166 -0.235 1.00 0.00 H new ATOM 189 N PRO A 14 -5.781 -2.755 1.004 1.00 0.00 N ATOM 190 CA PRO A 14 -6.422 -1.453 0.933 1.00 0.00 C ATOM 191 C PRO A 14 -5.547 -0.392 1.605 1.00 0.00 C ATOM 192 O PRO A 14 -5.136 -0.547 2.738 1.00 0.00 O ATOM 193 CB PRO A 14 -7.731 -1.634 1.690 1.00 0.00 C ATOM 194 CG PRO A 14 -8.034 -3.157 1.533 1.00 0.00 C ATOM 195 CD PRO A 14 -6.647 -3.860 1.447 1.00 0.00 C ATOM 0 HA PRO A 14 -6.582 -1.118 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.631 -1.350 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.527 -1.021 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.610 -3.530 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.625 -3.348 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.333 -4.266 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.650 -4.687 0.737 1.00 0.00 H new ATOM 203 N LEU A 15 -5.262 0.693 0.927 1.00 0.00 N ATOM 204 CA LEU A 15 -4.420 1.747 1.562 1.00 0.00 C ATOM 205 C LEU A 15 -5.192 3.072 1.688 1.00 0.00 C ATOM 206 O LEU A 15 -4.669 4.111 1.359 1.00 0.00 O ATOM 207 CB LEU A 15 -3.158 1.980 0.727 1.00 0.00 C ATOM 208 CG LEU A 15 -2.389 0.666 0.586 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.941 0.484 -0.864 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.160 0.699 1.495 1.00 0.00 C ATOM 0 H LEU A 15 -5.572 0.891 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.148 1.403 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.426 2.364 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.529 2.733 1.202 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.036 -0.164 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.393 -0.453 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.815 0.462 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.295 1.313 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.610 -0.237 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.517 1.530 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.476 0.827 2.530 1.00 0.00 H new ATOM 222 N PRO A 16 -6.400 3.004 2.190 1.00 0.00 N ATOM 223 CA PRO A 16 -7.208 4.190 2.401 1.00 0.00 C ATOM 224 C PRO A 16 -6.341 5.351 2.914 1.00 0.00 C ATOM 225 O PRO A 16 -6.642 6.505 2.686 1.00 0.00 O ATOM 226 CB PRO A 16 -8.223 3.767 3.453 1.00 0.00 C ATOM 227 CG PRO A 16 -8.349 2.218 3.260 1.00 0.00 C ATOM 228 CD PRO A 16 -7.040 1.741 2.559 1.00 0.00 C ATOM 0 HA PRO A 16 -7.681 4.544 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.883 4.017 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.181 4.266 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.477 1.718 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.222 1.974 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.414 1.149 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.249 1.122 1.687 1.00 0.00 H new ATOM 236 N GLU A 17 -5.270 5.054 3.604 1.00 0.00 N ATOM 237 CA GLU A 17 -4.391 6.143 4.126 1.00 0.00 C ATOM 238 C GLU A 17 -3.904 7.008 2.961 1.00 0.00 C ATOM 239 O GLU A 17 -4.007 8.218 2.986 1.00 0.00 O ATOM 240 CB GLU A 17 -3.187 5.528 4.842 1.00 0.00 C ATOM 241 CG GLU A 17 -2.767 6.431 6.003 1.00 0.00 C ATOM 242 CD GLU A 17 -1.753 5.695 6.883 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.621 4.493 6.720 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.128 6.346 7.702 1.00 0.00 O ATOM 0 H GLU A 17 -4.967 4.106 3.828 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.954 6.760 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.440 4.535 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.359 5.406 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.330 7.353 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.639 6.712 6.593 1.00 0.00 H new ATOM 251 N LEU A 18 -3.374 6.392 1.940 1.00 0.00 N ATOM 252 CA LEU A 18 -2.873 7.157 0.764 1.00 0.00 C ATOM 253 C LEU A 18 -4.029 7.367 -0.229 1.00 0.00 C ATOM 254 O LEU A 18 -4.513 6.419 -0.815 1.00 0.00 O ATOM 255 CB LEU A 18 -1.771 6.338 0.084 1.00 0.00 C ATOM 256 CG LEU A 18 -0.723 7.272 -0.517 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.651 6.932 0.063 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.693 7.085 -2.034 1.00 0.00 C ATOM 0 H LEU A 18 -3.266 5.380 1.870 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.482 8.124 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.303 5.671 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.202 5.711 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.973 8.306 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.401 7.597 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.630 7.057 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.902 5.899 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.054 7.750 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.438 6.051 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.673 7.320 -2.449 1.00 0.00 H new ATOM 270 N PRO A 19 -4.448 8.604 -0.381 1.00 0.00 N ATOM 271 CA PRO A 19 -5.547 8.945 -1.280 1.00 0.00 C ATOM 272 C PRO A 19 -5.303 8.379 -2.683 1.00 0.00 C ATOM 273 O PRO A 19 -4.227 7.911 -2.999 1.00 0.00 O ATOM 274 CB PRO A 19 -5.553 10.470 -1.317 1.00 0.00 C ATOM 275 CG PRO A 19 -4.881 10.870 0.032 1.00 0.00 C ATOM 276 CD PRO A 19 -3.855 9.744 0.335 1.00 0.00 C ATOM 0 HA PRO A 19 -6.496 8.530 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.996 10.853 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.566 10.866 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.388 11.839 -0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.620 10.953 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.859 9.987 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.760 9.552 1.404 1.00 0.00 H new ATOM 284 N CYS A 20 -6.301 8.423 -3.526 1.00 0.00 N ATOM 285 CA CYS A 20 -6.142 7.893 -4.909 1.00 0.00 C ATOM 286 C CYS A 20 -6.054 9.057 -5.900 1.00 0.00 C ATOM 287 O CYS A 20 -4.990 9.400 -6.377 1.00 0.00 O ATOM 288 CB CYS A 20 -7.348 7.022 -5.264 1.00 0.00 C ATOM 289 SG CYS A 20 -6.769 5.452 -5.950 1.00 0.00 S ATOM 0 H CYS A 20 -7.223 8.805 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.230 7.298 -4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.955 6.843 -4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.982 7.536 -5.986 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.470 5.416 -5.915 1.00 0.00 H new ATOM 295 N GLU A 21 -7.166 9.663 -6.218 1.00 0.00 N ATOM 296 CA GLU A 21 -7.149 10.799 -7.182 1.00 0.00 C ATOM 297 C GLU A 21 -7.581 12.079 -6.464 1.00 0.00 C ATOM 298 O GLU A 21 -6.768 12.909 -6.111 1.00 0.00 O ATOM 299 CB GLU A 21 -8.119 10.506 -8.332 1.00 0.00 C ATOM 300 CG GLU A 21 -7.379 10.626 -9.666 1.00 0.00 C ATOM 301 CD GLU A 21 -8.353 10.360 -10.815 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.512 10.713 -10.677 1.00 0.00 O ATOM 303 OE2 GLU A 21 -7.922 9.808 -11.814 1.00 0.00 O ATOM 0 H GLU A 21 -8.086 9.420 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.142 10.926 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.536 9.505 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.955 11.205 -8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.946 11.621 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.554 9.914 -9.702 1.00 0.00 H new ATOM 310 N LYS A 22 -8.856 12.242 -6.243 1.00 0.00 N ATOM 311 CA LYS A 22 -9.343 13.465 -5.547 1.00 0.00 C ATOM 312 C LYS A 22 -10.721 13.187 -4.945 1.00 0.00 C ATOM 313 O LYS A 22 -11.547 14.068 -4.824 1.00 0.00 O ATOM 314 CB LYS A 22 -9.447 14.618 -6.548 1.00 0.00 C ATOM 315 CG LYS A 22 -8.654 15.819 -6.028 1.00 0.00 C ATOM 316 CD LYS A 22 -7.415 16.030 -6.900 1.00 0.00 C ATOM 317 CE LYS A 22 -7.847 16.340 -8.335 1.00 0.00 C ATOM 318 NZ LYS A 22 -7.093 15.469 -9.280 1.00 0.00 N ATOM 0 H LYS A 22 -9.583 11.580 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.645 13.737 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.061 14.307 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.491 14.894 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.277 16.713 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.358 15.652 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.814 16.849 -6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.789 15.138 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.918 16.175 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.661 17.389 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.386 15.679 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.074 15.648 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.292 14.471 -9.066 1.00 0.00 H new ATOM 332 N SER A 23 -10.974 11.963 -4.568 1.00 0.00 N ATOM 333 CA SER A 23 -12.298 11.625 -3.976 1.00 0.00 C ATOM 334 C SER A 23 -12.096 10.729 -2.754 1.00 0.00 C ATOM 335 O SER A 23 -11.009 10.626 -2.220 1.00 0.00 O ATOM 336 CB SER A 23 -13.142 10.885 -5.014 1.00 0.00 C ATOM 337 OG SER A 23 -14.388 11.551 -5.169 1.00 0.00 O ATOM 0 H SER A 23 -10.321 11.183 -4.645 1.00 0.00 H new ATOM 0 HA SER A 23 -12.807 12.540 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.616 10.848 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.304 9.854 -4.699 1.00 0.00 H new ATOM 0 HG SER A 23 -15.118 10.900 -5.099 1.00 0.00 H new ATOM 343 N ASP A 24 -13.132 10.071 -2.311 1.00 0.00 N ATOM 344 CA ASP A 24 -12.993 9.176 -1.131 1.00 0.00 C ATOM 345 C ASP A 24 -12.245 7.907 -1.546 1.00 0.00 C ATOM 346 O ASP A 24 -11.966 7.046 -0.737 1.00 0.00 O ATOM 347 CB ASP A 24 -14.381 8.803 -0.604 1.00 0.00 C ATOM 348 CG ASP A 24 -14.806 9.805 0.470 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.884 10.982 0.157 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.047 9.380 1.588 1.00 0.00 O ATOM 0 H ASP A 24 -14.067 10.115 -2.716 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.436 9.689 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.103 8.801 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.365 7.795 -0.190 1.00 0.00 H new ATOM 355 N ALA A 25 -11.918 7.788 -2.805 1.00 0.00 N ATOM 356 CA ALA A 25 -11.188 6.579 -3.273 1.00 0.00 C ATOM 357 C ALA A 25 -9.783 6.573 -2.672 1.00 0.00 C ATOM 358 O ALA A 25 -9.320 7.563 -2.139 1.00 0.00 O ATOM 359 CB ALA A 25 -11.089 6.602 -4.798 1.00 0.00 C ATOM 0 H ALA A 25 -12.126 8.477 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.724 5.684 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.554 5.716 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.091 6.610 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.551 7.496 -5.114 1.00 0.00 H new ATOM 365 N TYR A 26 -9.098 5.468 -2.758 1.00 0.00 N ATOM 366 CA TYR A 26 -7.722 5.402 -2.195 1.00 0.00 C ATOM 367 C TYR A 26 -6.893 4.403 -3.004 1.00 0.00 C ATOM 368 O TYR A 26 -7.274 4.003 -4.083 1.00 0.00 O ATOM 369 CB TYR A 26 -7.780 4.962 -0.731 1.00 0.00 C ATOM 370 CG TYR A 26 -8.998 4.099 -0.494 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.035 2.791 -0.990 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.087 4.607 0.224 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.161 1.990 -0.767 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.213 3.806 0.447 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.251 2.497 -0.049 1.00 0.00 C ATOM 376 OH TYR A 26 -12.360 1.707 0.172 1.00 0.00 O ATOM 0 H TYR A 26 -9.431 4.608 -3.194 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.260 6.388 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.877 4.408 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.813 5.837 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.195 2.400 -1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.058 5.617 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.189 0.980 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.053 4.198 1.002 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.024 2.212 0.687 1.00 0.00 H new ATOM 386 N PHE A 27 -5.756 4.007 -2.505 1.00 0.00 N ATOM 387 CA PHE A 27 -4.911 3.050 -3.271 1.00 0.00 C ATOM 388 C PHE A 27 -4.985 1.645 -2.663 1.00 0.00 C ATOM 389 O PHE A 27 -4.185 1.272 -1.831 1.00 0.00 O ATOM 390 CB PHE A 27 -3.462 3.538 -3.256 1.00 0.00 C ATOM 391 CG PHE A 27 -3.173 4.258 -4.550 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.100 5.177 -5.056 1.00 0.00 C ATOM 393 CD2 PHE A 27 -1.985 4.005 -5.245 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.838 5.844 -6.258 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.724 4.672 -6.447 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.651 5.592 -6.953 1.00 0.00 C ATOM 0 H PHE A 27 -5.377 4.302 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.280 3.000 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.298 4.205 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.782 2.695 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.017 5.371 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.270 3.296 -4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.552 6.553 -6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.808 4.477 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.449 6.107 -7.880 1.00 0.00 H new ATOM 406 N VAL A 28 -5.930 0.854 -3.086 1.00 0.00 N ATOM 407 CA VAL A 28 -6.037 -0.529 -2.550 1.00 0.00 C ATOM 408 C VAL A 28 -5.029 -1.423 -3.280 1.00 0.00 C ATOM 409 O VAL A 28 -5.197 -1.746 -4.439 1.00 0.00 O ATOM 410 CB VAL A 28 -7.460 -1.056 -2.769 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.482 -2.581 -2.637 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.394 -0.448 -1.722 1.00 0.00 C ATOM 0 H VAL A 28 -6.633 1.106 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.821 -0.532 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.792 -0.777 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.497 -2.945 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.819 -3.020 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.145 -2.865 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.406 -0.822 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.053 -0.726 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.390 0.638 -1.817 1.00 0.00 H new ATOM 422 N LEU A 29 -3.979 -1.816 -2.612 1.00 0.00 N ATOM 423 CA LEU A 29 -2.953 -2.679 -3.266 1.00 0.00 C ATOM 424 C LEU A 29 -3.630 -3.837 -3.997 1.00 0.00 C ATOM 425 O LEU A 29 -3.860 -4.888 -3.434 1.00 0.00 O ATOM 426 CB LEU A 29 -2.001 -3.247 -2.208 1.00 0.00 C ATOM 427 CG LEU A 29 -0.649 -3.604 -2.847 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.047 -4.670 -2.000 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.857 -4.156 -4.262 1.00 0.00 C ATOM 0 H LEU A 29 -3.787 -1.576 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.393 -2.075 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.854 -2.517 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.441 -4.133 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.038 -2.703 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.006 -4.925 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.211 -4.285 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.579 -5.561 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.109 -4.404 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.476 -5.052 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.353 -3.404 -4.876 1.00 0.00 H new ATOM 441 N ARG A 30 -3.932 -3.665 -5.253 1.00 0.00 N ATOM 442 CA ARG A 30 -4.574 -4.770 -6.015 1.00 0.00 C ATOM 443 C ARG A 30 -3.477 -5.630 -6.643 1.00 0.00 C ATOM 444 O ARG A 30 -2.419 -5.145 -6.989 1.00 0.00 O ATOM 445 CB ARG A 30 -5.467 -4.189 -7.113 1.00 0.00 C ATOM 446 CG ARG A 30 -6.906 -4.664 -6.904 1.00 0.00 C ATOM 447 CD ARG A 30 -7.846 -3.456 -6.886 1.00 0.00 C ATOM 448 NE ARG A 30 -9.207 -3.895 -6.467 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.224 -3.089 -6.611 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.037 -1.798 -6.632 1.00 0.00 N ATOM 451 NH2 ARG A 30 -11.429 -3.576 -6.734 1.00 0.00 N ATOM 0 H ARG A 30 -3.763 -2.810 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.186 -5.376 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.425 -3.100 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.108 -4.503 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.193 -5.350 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.986 -5.214 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.469 -2.698 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.887 -2.999 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.344 -4.824 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.096 -1.417 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.832 -1.169 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.575 -4.585 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.224 -2.947 -6.847 1.00 0.00 H new ATOM 465 N ASP A 31 -3.709 -6.904 -6.786 1.00 0.00 N ATOM 466 CA ASP A 31 -2.665 -7.782 -7.385 1.00 0.00 C ATOM 467 C ASP A 31 -3.207 -8.423 -8.664 1.00 0.00 C ATOM 468 O ASP A 31 -4.189 -9.139 -8.643 1.00 0.00 O ATOM 469 CB ASP A 31 -2.282 -8.877 -6.386 1.00 0.00 C ATOM 470 CG ASP A 31 -3.462 -9.833 -6.198 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.590 -9.379 -6.297 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.217 -11.004 -5.958 1.00 0.00 O ATOM 0 H ASP A 31 -4.573 -7.375 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.784 -7.186 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.411 -9.424 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.006 -8.432 -5.430 1.00 0.00 H new ATOM 477 N GLY A 32 -2.576 -8.174 -9.779 1.00 0.00 N ATOM 478 CA GLY A 32 -3.057 -8.770 -11.058 1.00 0.00 C ATOM 479 C GLY A 32 -2.355 -8.093 -12.235 1.00 0.00 C ATOM 480 O GLY A 32 -2.177 -8.679 -13.284 1.00 0.00 O ATOM 0 H GLY A 32 -1.748 -7.584 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.857 -9.841 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.136 -8.646 -11.145 1.00 0.00 H new ATOM 484 N ALA A 33 -1.954 -6.861 -12.071 1.00 0.00 N ATOM 485 CA ALA A 33 -1.264 -6.149 -13.182 1.00 0.00 C ATOM 486 C ALA A 33 0.174 -6.658 -13.300 1.00 0.00 C ATOM 487 O ALA A 33 1.103 -6.043 -12.816 1.00 0.00 O ATOM 488 CB ALA A 33 -1.250 -4.646 -12.893 1.00 0.00 C ATOM 0 H ALA A 33 -2.075 -6.318 -11.216 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.793 -6.335 -14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.745 -4.124 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.274 -4.282 -12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.721 -4.460 -11.958 1.00 0.00 H new ATOM 494 N ALA A 34 0.364 -7.779 -13.942 1.00 0.00 N ATOM 495 CA ALA A 34 1.741 -8.327 -14.091 1.00 0.00 C ATOM 496 C ALA A 34 2.463 -8.270 -12.744 1.00 0.00 C ATOM 497 O ALA A 34 3.494 -7.641 -12.607 1.00 0.00 O ATOM 498 CB ALA A 34 2.512 -7.495 -15.118 1.00 0.00 C ATOM 0 H ALA A 34 -0.375 -8.338 -14.369 1.00 0.00 H new ATOM 0 HA ALA A 34 1.685 -9.362 -14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.520 -7.895 -15.228 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.999 -7.536 -16.079 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.567 -6.460 -14.780 1.00 0.00 H new ATOM 504 N GLY A 35 1.930 -8.921 -11.746 1.00 0.00 N ATOM 505 CA GLY A 35 2.587 -8.902 -10.408 1.00 0.00 C ATOM 506 C GLY A 35 1.699 -8.153 -9.413 1.00 0.00 C ATOM 507 O GLY A 35 0.526 -8.437 -9.279 1.00 0.00 O ATOM 0 H GLY A 35 1.069 -9.465 -11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.760 -9.921 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.562 -8.419 -10.477 1.00 0.00 H new ATOM 511 N VAL A 36 2.250 -7.198 -8.715 1.00 0.00 N ATOM 512 CA VAL A 36 1.435 -6.433 -7.730 1.00 0.00 C ATOM 513 C VAL A 36 1.299 -4.983 -8.197 1.00 0.00 C ATOM 514 O VAL A 36 2.013 -4.531 -9.071 1.00 0.00 O ATOM 515 CB VAL A 36 2.120 -6.469 -6.361 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.566 -7.898 -6.051 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.344 -5.550 -6.376 1.00 0.00 C ATOM 0 H VAL A 36 3.227 -6.915 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 36 0.445 -6.882 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 36 1.419 -6.131 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.054 -7.924 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.697 -8.556 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.266 -8.235 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.831 -5.576 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.044 -5.888 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.030 -4.530 -6.597 1.00 0.00 H new ATOM 527 N PHE A 37 0.386 -4.250 -7.621 1.00 0.00 N ATOM 528 CA PHE A 37 0.204 -2.828 -8.028 1.00 0.00 C ATOM 529 C PHE A 37 -0.936 -2.213 -7.210 1.00 0.00 C ATOM 530 O PHE A 37 -1.877 -2.885 -6.839 1.00 0.00 O ATOM 531 CB PHE A 37 -0.130 -2.765 -9.525 1.00 0.00 C ATOM 532 CG PHE A 37 -1.577 -3.135 -9.744 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.030 -4.419 -9.422 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.467 -2.188 -10.261 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.374 -4.756 -9.617 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.811 -2.525 -10.458 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.264 -3.809 -10.135 1.00 0.00 C ATOM 0 H PHE A 37 -0.242 -4.575 -6.886 1.00 0.00 H new ATOM 0 HA PHE A 37 1.121 -2.269 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.060 -1.762 -9.907 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.516 -3.445 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.342 -5.150 -9.023 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.117 -1.197 -10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.724 -5.747 -9.368 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.498 -1.795 -10.859 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.301 -4.069 -10.286 1.00 0.00 H new ATOM 547 N LEU A 38 -0.861 -0.944 -6.921 1.00 0.00 N ATOM 548 CA LEU A 38 -1.942 -0.301 -6.121 1.00 0.00 C ATOM 549 C LEU A 38 -2.996 0.293 -7.056 1.00 0.00 C ATOM 550 O LEU A 38 -2.813 1.354 -7.617 1.00 0.00 O ATOM 551 CB LEU A 38 -1.348 0.810 -5.254 1.00 0.00 C ATOM 552 CG LEU A 38 0.010 0.367 -4.709 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.102 1.295 -5.242 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.011 0.431 -3.180 1.00 0.00 C ATOM 0 H LEU A 38 -0.101 -0.325 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.408 -1.052 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.235 1.722 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.023 1.042 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 38 0.214 -0.655 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.070 0.979 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.117 1.252 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.899 2.317 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.956 0.115 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.215 1.453 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.789 -0.230 -2.799 1.00 0.00 H new ATOM 566 N ALA A 39 -4.106 -0.376 -7.218 1.00 0.00 N ATOM 567 CA ALA A 39 -5.172 0.166 -8.107 1.00 0.00 C ATOM 568 C ALA A 39 -6.106 1.049 -7.283 1.00 0.00 C ATOM 569 O ALA A 39 -6.299 0.836 -6.099 1.00 0.00 O ATOM 570 CB ALA A 39 -5.980 -0.981 -8.721 1.00 0.00 C ATOM 0 H ALA A 39 -4.319 -1.270 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.711 0.747 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.756 -0.573 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.318 -1.620 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.442 -1.567 -7.926 1.00 0.00 H new ATOM 576 N ALA A 40 -6.691 2.037 -7.895 1.00 0.00 N ATOM 577 CA ALA A 40 -7.616 2.923 -7.145 1.00 0.00 C ATOM 578 C ALA A 40 -8.838 2.109 -6.716 1.00 0.00 C ATOM 579 O ALA A 40 -9.366 1.320 -7.474 1.00 0.00 O ATOM 580 CB ALA A 40 -8.051 4.082 -8.042 1.00 0.00 C ATOM 0 H ALA A 40 -6.568 2.268 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.116 3.326 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.730 4.733 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.175 4.651 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.559 3.689 -8.923 1.00 0.00 H new ATOM 586 N ASN A 41 -9.283 2.282 -5.504 1.00 0.00 N ATOM 587 CA ASN A 41 -10.463 1.507 -5.026 1.00 0.00 C ATOM 588 C ASN A 41 -11.720 1.974 -5.765 1.00 0.00 C ATOM 589 O ASN A 41 -12.762 1.354 -5.688 1.00 0.00 O ATOM 590 CB ASN A 41 -10.640 1.724 -3.521 1.00 0.00 C ATOM 591 CG ASN A 41 -12.013 1.208 -3.086 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.992 1.926 -3.146 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.128 -0.015 -2.645 1.00 0.00 N ATOM 0 H ASN A 41 -8.882 2.926 -4.823 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.304 0.447 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.854 1.203 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.546 2.783 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.039 -0.368 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.307 -0.618 -2.594 1.00 0.00 H new ATOM 600 N THR A 42 -11.633 3.060 -6.484 1.00 0.00 N ATOM 601 CA THR A 42 -12.826 3.554 -7.224 1.00 0.00 C ATOM 602 C THR A 42 -12.684 3.214 -8.710 1.00 0.00 C ATOM 603 O THR A 42 -13.457 3.664 -9.529 1.00 0.00 O ATOM 604 CB THR A 42 -12.943 5.072 -7.056 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.658 5.662 -7.185 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.519 5.390 -5.675 1.00 0.00 C ATOM 0 H THR A 42 -10.790 3.624 -6.590 1.00 0.00 H new ATOM 0 HA THR A 42 -13.721 3.076 -6.826 1.00 0.00 H new ATOM 0 HB THR A 42 -13.604 5.474 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.265 5.406 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.602 6.470 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.506 4.937 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.860 4.989 -4.905 1.00 0.00 H new ATOM 614 N PHE A 43 -11.703 2.417 -9.054 1.00 0.00 N ATOM 615 CA PHE A 43 -11.495 2.029 -10.483 1.00 0.00 C ATOM 616 C PHE A 43 -12.855 1.827 -11.165 1.00 0.00 C ATOM 617 O PHE A 43 -13.770 1.306 -10.559 1.00 0.00 O ATOM 618 CB PHE A 43 -10.706 0.716 -10.522 1.00 0.00 C ATOM 619 CG PHE A 43 -10.433 0.326 -11.955 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.437 -0.276 -12.722 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.174 0.568 -12.517 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.184 -0.636 -14.051 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.919 0.207 -13.846 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.923 -0.394 -14.612 1.00 0.00 C ATOM 0 H PHE A 43 -11.032 2.015 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.946 2.813 -11.005 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.767 0.829 -9.981 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.269 -0.072 -10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.408 -0.463 -12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.399 1.033 -11.926 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.959 -1.099 -14.643 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.947 0.393 -14.279 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.726 -0.672 -15.637 1.00 0.00 H new ATOM 634 N PRO A 44 -12.951 2.232 -12.410 1.00 0.00 N ATOM 635 CA PRO A 44 -11.853 2.858 -13.138 1.00 0.00 C ATOM 636 C PRO A 44 -11.748 4.350 -12.794 1.00 0.00 C ATOM 637 O PRO A 44 -10.918 5.052 -13.336 1.00 0.00 O ATOM 638 CB PRO A 44 -12.238 2.692 -14.600 1.00 0.00 C ATOM 639 CG PRO A 44 -13.800 2.655 -14.565 1.00 0.00 C ATOM 640 CD PRO A 44 -14.192 2.061 -13.180 1.00 0.00 C ATOM 0 HA PRO A 44 -10.889 2.412 -12.893 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.870 3.518 -15.208 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.824 1.776 -15.022 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.216 3.655 -14.691 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.193 2.042 -15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.028 2.595 -12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.485 1.014 -13.254 1.00 0.00 H new ATOM 648 N LYS A 45 -12.585 4.834 -11.910 1.00 0.00 N ATOM 649 CA LYS A 45 -12.548 6.278 -11.531 1.00 0.00 C ATOM 650 C LYS A 45 -11.099 6.773 -11.521 1.00 0.00 C ATOM 651 O LYS A 45 -10.822 7.919 -11.818 1.00 0.00 O ATOM 652 CB LYS A 45 -13.162 6.445 -10.138 1.00 0.00 C ATOM 653 CG LYS A 45 -12.755 7.798 -9.554 1.00 0.00 C ATOM 654 CD LYS A 45 -13.503 8.036 -8.240 1.00 0.00 C ATOM 655 CE LYS A 45 -14.199 9.396 -8.288 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.291 9.431 -7.274 1.00 0.00 N ATOM 0 H LYS A 45 -13.298 4.284 -11.431 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.117 6.862 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.248 6.376 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.827 5.640 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.679 7.822 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.982 8.594 -10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.236 7.246 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.807 8.001 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.480 10.192 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.607 9.573 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.765 10.356 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.981 8.681 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.890 9.280 -6.326 1.00 0.00 H new ATOM 670 N SER A 46 -10.176 5.918 -11.189 1.00 0.00 N ATOM 671 CA SER A 46 -8.750 6.336 -11.168 1.00 0.00 C ATOM 672 C SER A 46 -7.899 5.240 -11.806 1.00 0.00 C ATOM 673 O SER A 46 -7.854 4.121 -11.334 1.00 0.00 O ATOM 674 CB SER A 46 -8.302 6.557 -9.723 1.00 0.00 C ATOM 675 OG SER A 46 -9.357 6.193 -8.843 1.00 0.00 O ATOM 0 H SER A 46 -10.348 4.946 -10.931 1.00 0.00 H new ATOM 0 HA SER A 46 -8.631 7.265 -11.726 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.414 5.962 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.030 7.601 -9.570 1.00 0.00 H new ATOM 0 HG SER A 46 -9.305 6.735 -8.028 1.00 0.00 H new ATOM 681 N ARG A 47 -7.224 5.548 -12.878 1.00 0.00 N ATOM 682 CA ARG A 47 -6.379 4.519 -13.543 1.00 0.00 C ATOM 683 C ARG A 47 -4.979 4.554 -12.934 1.00 0.00 C ATOM 684 O ARG A 47 -4.026 4.066 -13.510 1.00 0.00 O ATOM 685 CB ARG A 47 -6.295 4.813 -15.042 1.00 0.00 C ATOM 686 CG ARG A 47 -7.098 3.765 -15.814 1.00 0.00 C ATOM 687 CD ARG A 47 -7.297 4.233 -17.257 1.00 0.00 C ATOM 688 NE ARG A 47 -7.231 3.060 -18.173 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.454 3.093 -19.221 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.773 3.835 -20.246 1.00 0.00 N ATOM 691 NH2 ARG A 47 -5.359 2.384 -19.245 1.00 0.00 N ATOM 0 H ARG A 47 -7.221 6.467 -13.321 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.819 3.532 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.684 5.810 -15.250 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.255 4.802 -15.368 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.575 2.809 -15.800 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.065 3.607 -15.335 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.260 4.734 -17.359 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.530 4.960 -17.524 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.793 2.231 -17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.629 4.389 -20.228 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.166 3.861 -21.065 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.110 1.803 -18.444 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.752 2.410 -20.064 1.00 0.00 H new ATOM 705 N GLU A 48 -4.849 5.126 -11.767 1.00 0.00 N ATOM 706 CA GLU A 48 -3.515 5.190 -11.113 1.00 0.00 C ATOM 707 C GLU A 48 -3.194 3.832 -10.489 1.00 0.00 C ATOM 708 O GLU A 48 -3.326 3.639 -9.297 1.00 0.00 O ATOM 709 CB GLU A 48 -3.533 6.264 -10.023 1.00 0.00 C ATOM 710 CG GLU A 48 -4.204 7.528 -10.563 1.00 0.00 C ATOM 711 CD GLU A 48 -4.142 8.631 -9.505 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.006 8.300 -8.339 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.229 9.790 -9.880 1.00 0.00 O ATOM 0 H GLU A 48 -5.611 5.552 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.755 5.440 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.071 5.900 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.516 6.488 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.705 7.856 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.241 7.318 -10.825 1.00 0.00 H new ATOM 720 N THR A 49 -2.780 2.887 -11.287 1.00 0.00 N ATOM 721 CA THR A 49 -2.459 1.540 -10.739 1.00 0.00 C ATOM 722 C THR A 49 -1.109 1.071 -11.287 1.00 0.00 C ATOM 723 O THR A 49 -0.835 1.178 -12.466 1.00 0.00 O ATOM 724 CB THR A 49 -3.550 0.542 -11.145 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.167 -0.112 -12.346 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.876 1.278 -11.362 1.00 0.00 C ATOM 0 H THR A 49 -2.650 2.989 -12.294 1.00 0.00 H new ATOM 0 HA THR A 49 -2.410 1.598 -9.652 1.00 0.00 H new ATOM 0 HB THR A 49 -3.677 -0.195 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.974 -1.054 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.646 0.563 -11.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.171 1.776 -10.439 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.756 2.019 -12.152 1.00 0.00 H new ATOM 734 N ARG A 50 -0.266 0.553 -10.438 1.00 0.00 N ATOM 735 CA ARG A 50 1.068 0.074 -10.901 1.00 0.00 C ATOM 736 C ARG A 50 1.929 -0.262 -9.683 1.00 0.00 C ATOM 737 O ARG A 50 1.554 0.001 -8.557 1.00 0.00 O ATOM 738 CB ARG A 50 1.749 1.171 -11.723 1.00 0.00 C ATOM 739 CG ARG A 50 1.570 2.520 -11.024 1.00 0.00 C ATOM 740 CD ARG A 50 1.934 3.648 -11.992 1.00 0.00 C ATOM 741 NE ARG A 50 1.401 4.938 -11.473 1.00 0.00 N ATOM 742 CZ ARG A 50 1.974 6.062 -11.807 1.00 0.00 C ATOM 743 NH1 ARG A 50 2.846 6.088 -12.778 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.673 7.161 -11.171 1.00 0.00 N ATOM 0 H ARG A 50 -0.443 0.440 -9.440 1.00 0.00 H new ATOM 0 HA ARG A 50 0.945 -0.815 -11.520 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.810 0.948 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.320 1.209 -12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.539 2.633 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.202 2.569 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.016 3.709 -12.106 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.521 3.442 -12.979 1.00 0.00 H new ATOM 0 HE ARG A 50 0.588 4.943 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.080 5.229 -13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.293 6.967 -13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.990 7.141 -10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.120 8.040 -11.431 1.00 0.00 H new ATOM 758 N ALA A 51 3.081 -0.841 -9.892 1.00 0.00 N ATOM 759 CA ALA A 51 3.955 -1.188 -8.736 1.00 0.00 C ATOM 760 C ALA A 51 3.996 -0.003 -7.765 1.00 0.00 C ATOM 761 O ALA A 51 3.922 1.136 -8.180 1.00 0.00 O ATOM 762 CB ALA A 51 5.364 -1.496 -9.231 1.00 0.00 C ATOM 0 H ALA A 51 3.453 -1.088 -10.809 1.00 0.00 H new ATOM 0 HA ALA A 51 3.557 -2.066 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.000 -1.749 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.331 -2.337 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.770 -0.622 -9.741 1.00 0.00 H new ATOM 768 N PRO A 52 4.090 -0.310 -6.496 1.00 0.00 N ATOM 769 CA PRO A 52 4.112 0.709 -5.458 1.00 0.00 C ATOM 770 C PRO A 52 5.514 1.305 -5.277 1.00 0.00 C ATOM 771 O PRO A 52 6.510 0.608 -5.310 1.00 0.00 O ATOM 772 CB PRO A 52 3.707 -0.043 -4.199 1.00 0.00 C ATOM 773 CG PRO A 52 4.192 -1.506 -4.468 1.00 0.00 C ATOM 774 CD PRO A 52 4.170 -1.698 -6.014 1.00 0.00 C ATOM 0 HA PRO A 52 3.456 1.545 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.179 0.378 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.630 -0.002 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.195 -1.662 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.539 -2.228 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.066 -2.204 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.316 -2.292 -6.339 1.00 0.00 H new ATOM 782 N LEU A 53 5.590 2.592 -5.052 1.00 0.00 N ATOM 783 CA LEU A 53 6.910 3.241 -4.824 1.00 0.00 C ATOM 784 C LEU A 53 7.603 2.522 -3.663 1.00 0.00 C ATOM 785 O LEU A 53 6.977 2.167 -2.685 1.00 0.00 O ATOM 786 CB LEU A 53 6.694 4.705 -4.453 1.00 0.00 C ATOM 787 CG LEU A 53 7.690 5.575 -5.216 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.093 4.981 -5.105 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.288 5.649 -6.690 1.00 0.00 C ATOM 0 H LEU A 53 4.788 3.222 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 53 7.521 3.184 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.674 5.005 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.823 4.842 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 53 7.686 6.576 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.798 5.607 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.387 4.935 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.097 3.976 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.001 6.271 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.284 4.646 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.292 6.083 -6.774 1.00 0.00 H new ATOM 801 N VAL A 54 8.884 2.301 -3.754 1.00 0.00 N ATOM 802 CA VAL A 54 9.591 1.604 -2.648 1.00 0.00 C ATOM 803 C VAL A 54 9.532 2.470 -1.389 1.00 0.00 C ATOM 804 O VAL A 54 9.328 1.980 -0.295 1.00 0.00 O ATOM 805 CB VAL A 54 11.048 1.366 -3.047 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.708 0.436 -2.031 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.098 0.717 -4.432 1.00 0.00 C ATOM 0 H VAL A 54 9.469 2.572 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 54 9.113 0.645 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 54 11.578 2.318 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.747 0.266 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.672 0.893 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.177 -0.516 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.136 0.547 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.568 -0.235 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.625 1.376 -5.160 1.00 0.00 H new ATOM 817 N GLU A 55 9.699 3.755 -1.536 1.00 0.00 N ATOM 818 CA GLU A 55 9.642 4.651 -0.348 1.00 0.00 C ATOM 819 C GLU A 55 8.204 4.706 0.169 1.00 0.00 C ATOM 820 O GLU A 55 7.958 5.011 1.318 1.00 0.00 O ATOM 821 CB GLU A 55 10.100 6.056 -0.744 1.00 0.00 C ATOM 822 CG GLU A 55 9.206 6.588 -1.866 1.00 0.00 C ATOM 823 CD GLU A 55 8.928 8.075 -1.637 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.443 8.611 -0.671 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.203 8.651 -2.432 1.00 0.00 O ATOM 0 H GLU A 55 9.872 4.223 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 55 10.298 4.267 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.054 6.721 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.139 6.032 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.691 6.442 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.269 6.032 -1.893 1.00 0.00 H new ATOM 832 N GLU A 56 7.252 4.405 -0.672 1.00 0.00 N ATOM 833 CA GLU A 56 5.831 4.431 -0.226 1.00 0.00 C ATOM 834 C GLU A 56 5.594 3.266 0.734 1.00 0.00 C ATOM 835 O GLU A 56 5.004 3.421 1.784 1.00 0.00 O ATOM 836 CB GLU A 56 4.910 4.293 -1.439 1.00 0.00 C ATOM 837 CG GLU A 56 4.130 5.595 -1.639 1.00 0.00 C ATOM 838 CD GLU A 56 3.003 5.365 -2.648 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.059 4.673 -2.304 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.103 5.886 -3.746 1.00 0.00 O ATOM 0 H GLU A 56 7.397 4.143 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 56 5.618 5.374 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.496 4.067 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.220 3.462 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.718 5.934 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.797 6.380 -1.995 1.00 0.00 H new ATOM 847 N LEU A 57 6.056 2.097 0.382 1.00 0.00 N ATOM 848 CA LEU A 57 5.867 0.922 1.275 1.00 0.00 C ATOM 849 C LEU A 57 6.602 1.172 2.591 1.00 0.00 C ATOM 850 O LEU A 57 6.139 0.801 3.653 1.00 0.00 O ATOM 851 CB LEU A 57 6.434 -0.329 0.600 1.00 0.00 C ATOM 852 CG LEU A 57 5.698 -0.576 -0.717 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.705 -0.616 -1.867 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.959 -1.915 -0.642 1.00 0.00 C ATOM 0 H LEU A 57 6.556 1.906 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 57 4.805 0.774 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.501 -0.203 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.324 -1.191 1.258 1.00 0.00 H new ATOM 0 HG LEU A 57 4.983 0.228 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.179 -0.792 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.234 0.336 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.421 -1.420 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.433 -2.093 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.676 -2.717 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.241 -1.889 0.177 1.00 0.00 H new ATOM 866 N TYR A 58 7.744 1.804 2.533 1.00 0.00 N ATOM 867 CA TYR A 58 8.504 2.081 3.784 1.00 0.00 C ATOM 868 C TYR A 58 7.644 2.936 4.717 1.00 0.00 C ATOM 869 O TYR A 58 7.535 2.666 5.897 1.00 0.00 O ATOM 870 CB TYR A 58 9.791 2.835 3.442 1.00 0.00 C ATOM 871 CG TYR A 58 10.744 2.762 4.612 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.390 3.337 5.838 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.979 2.120 4.469 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.274 3.270 6.923 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.861 2.051 5.553 1.00 0.00 C ATOM 876 CZ TYR A 58 12.509 2.627 6.780 1.00 0.00 C ATOM 877 OH TYR A 58 13.380 2.561 7.849 1.00 0.00 O ATOM 0 H TYR A 58 8.182 2.139 1.675 1.00 0.00 H new ATOM 0 HA TYR A 58 8.755 1.141 4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.254 2.402 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.564 3.875 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.436 3.832 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 58 12.251 1.678 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.003 3.714 7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.813 1.554 5.443 1.00 0.00 H new ATOM 0 HH TYR A 58 14.191 2.080 7.581 1.00 0.00 H new ATOM 887 N ARG A 59 7.030 3.963 4.197 1.00 0.00 N ATOM 888 CA ARG A 59 6.174 4.832 5.053 1.00 0.00 C ATOM 889 C ARG A 59 4.928 4.054 5.481 1.00 0.00 C ATOM 890 O ARG A 59 4.276 4.391 6.449 1.00 0.00 O ATOM 891 CB ARG A 59 5.751 6.072 4.262 1.00 0.00 C ATOM 892 CG ARG A 59 4.881 6.969 5.144 1.00 0.00 C ATOM 893 CD ARG A 59 3.588 7.311 4.403 1.00 0.00 C ATOM 894 NE ARG A 59 2.490 7.515 5.390 1.00 0.00 N ATOM 895 CZ ARG A 59 1.548 8.385 5.146 1.00 0.00 C ATOM 896 NH1 ARG A 59 0.492 8.030 4.466 1.00 0.00 N ATOM 897 NH2 ARG A 59 1.661 9.610 5.582 1.00 0.00 N ATOM 0 H ARG A 59 7.084 4.238 3.216 1.00 0.00 H new ATOM 0 HA ARG A 59 6.736 5.138 5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.632 6.619 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.199 5.776 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.652 6.463 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.420 7.882 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.726 8.212 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.328 6.508 3.714 1.00 0.00 H new ATOM 0 HE ARG A 59 2.475 6.975 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.403 7.073 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.244 8.710 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.486 9.888 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.925 10.289 5.391 1.00 0.00 H new ATOM 911 N PHE A 60 4.596 3.015 4.767 1.00 0.00 N ATOM 912 CA PHE A 60 3.393 2.214 5.131 1.00 0.00 C ATOM 913 C PHE A 60 3.836 0.924 5.824 1.00 0.00 C ATOM 914 O PHE A 60 3.159 -0.084 5.773 1.00 0.00 O ATOM 915 CB PHE A 60 2.606 1.870 3.865 1.00 0.00 C ATOM 916 CG PHE A 60 1.713 3.031 3.497 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.276 4.267 3.161 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.322 2.871 3.491 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.449 5.345 2.819 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.505 3.947 3.151 1.00 0.00 C ATOM 921 CZ PHE A 60 0.059 5.184 2.815 1.00 0.00 C ATOM 0 H PHE A 60 5.105 2.685 3.947 1.00 0.00 H new ATOM 0 HA PHE A 60 2.759 2.791 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.291 1.651 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.007 0.974 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.349 4.390 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.113 1.917 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.884 6.299 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.578 3.824 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.580 6.015 2.553 1.00 0.00 H new ATOM 931 N ARG A 61 4.968 0.949 6.471 1.00 0.00 N ATOM 932 CA ARG A 61 5.457 -0.275 7.168 1.00 0.00 C ATOM 933 C ARG A 61 4.493 -0.638 8.300 1.00 0.00 C ATOM 934 O ARG A 61 4.238 -1.797 8.564 1.00 0.00 O ATOM 935 CB ARG A 61 6.849 -0.011 7.747 1.00 0.00 C ATOM 936 CG ARG A 61 7.507 -1.340 8.122 1.00 0.00 C ATOM 937 CD ARG A 61 8.926 -1.386 7.553 1.00 0.00 C ATOM 938 NE ARG A 61 9.906 -1.495 8.670 1.00 0.00 N ATOM 939 CZ ARG A 61 10.039 -0.513 9.519 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.584 0.673 9.222 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.627 -0.718 10.666 1.00 0.00 N ATOM 0 H ARG A 61 5.576 1.764 6.548 1.00 0.00 H new ATOM 0 HA ARG A 61 5.510 -1.100 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.463 0.518 7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.773 0.630 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.535 -1.451 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.920 -2.171 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.031 -2.236 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.124 -0.488 6.968 1.00 0.00 H new ATOM 0 HE ARG A 61 10.473 -2.337 8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.124 0.833 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.688 1.440 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.982 -1.645 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.731 0.049 11.330 1.00 0.00 H new ATOM 955 N ASP A 62 3.953 0.343 8.971 1.00 0.00 N ATOM 956 CA ASP A 62 3.006 0.052 10.084 1.00 0.00 C ATOM 957 C ASP A 62 1.799 -0.712 9.537 1.00 0.00 C ATOM 958 O ASP A 62 1.024 -1.284 10.279 1.00 0.00 O ATOM 959 CB ASP A 62 2.536 1.367 10.711 1.00 0.00 C ATOM 960 CG ASP A 62 2.008 2.295 9.617 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.378 1.798 8.698 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.241 3.489 9.716 1.00 0.00 O ATOM 0 H ASP A 62 4.127 1.333 8.796 1.00 0.00 H new ATOM 0 HA ASP A 62 3.507 -0.552 10.840 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.755 1.173 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.360 1.844 11.241 1.00 0.00 H new ATOM 967 N ARG A 63 1.634 -0.727 8.243 1.00 0.00 N ATOM 968 CA ARG A 63 0.480 -1.456 7.644 1.00 0.00 C ATOM 969 C ARG A 63 1.000 -2.534 6.691 1.00 0.00 C ATOM 970 O ARG A 63 0.240 -3.299 6.129 1.00 0.00 O ATOM 971 CB ARG A 63 -0.397 -0.470 6.868 1.00 0.00 C ATOM 972 CG ARG A 63 -1.857 -0.918 6.940 1.00 0.00 C ATOM 973 CD ARG A 63 -2.667 -0.190 5.866 1.00 0.00 C ATOM 974 NE ARG A 63 -3.607 0.767 6.517 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.316 0.388 7.545 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.059 -0.682 7.466 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.281 1.078 8.652 1.00 0.00 N ATOM 0 H ARG A 63 2.249 -0.265 7.573 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.108 -1.922 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.292 0.532 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.072 -0.419 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.925 -1.996 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.266 -0.703 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.999 0.343 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.222 -0.909 5.264 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.696 1.718 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.085 -1.222 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.613 -0.978 8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.699 1.914 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.835 0.782 9.455 1.00 0.00 H new ATOM 991 N LEU A 64 2.290 -2.599 6.501 1.00 0.00 N ATOM 992 CA LEU A 64 2.863 -3.622 5.585 1.00 0.00 C ATOM 993 C LEU A 64 2.165 -4.972 5.810 1.00 0.00 C ATOM 994 O LEU A 64 2.160 -5.477 6.914 1.00 0.00 O ATOM 995 CB LEU A 64 4.356 -3.774 5.875 1.00 0.00 C ATOM 996 CG LEU A 64 5.082 -4.182 4.596 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.574 -3.878 4.739 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.889 -5.681 4.357 1.00 0.00 C ATOM 0 H LEU A 64 2.973 -1.984 6.943 1.00 0.00 H new ATOM 0 HA LEU A 64 2.714 -3.307 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.762 -2.836 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.513 -4.524 6.650 1.00 0.00 H new ATOM 0 HG LEU A 64 4.676 -3.624 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.094 -4.169 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.713 -2.811 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.980 -4.437 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.407 -5.973 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.296 -6.239 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.826 -5.900 4.257 1.00 0.00 H new ATOM 1010 N PRO A 65 1.599 -5.519 4.756 1.00 0.00 N ATOM 1011 CA PRO A 65 0.914 -6.801 4.827 1.00 0.00 C ATOM 1012 C PRO A 65 1.928 -7.951 4.759 1.00 0.00 C ATOM 1013 O PRO A 65 1.777 -8.870 3.980 1.00 0.00 O ATOM 1014 CB PRO A 65 0.024 -6.816 3.593 1.00 0.00 C ATOM 1015 CG PRO A 65 0.791 -5.910 2.577 1.00 0.00 C ATOM 1016 CD PRO A 65 1.591 -4.880 3.431 1.00 0.00 C ATOM 0 HA PRO A 65 0.354 -6.926 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.110 -7.827 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.969 -6.423 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.461 -6.503 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.097 -5.404 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.599 -4.727 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.106 -3.904 3.452 1.00 0.00 H new ATOM 1024 N GLU A 66 2.958 -7.906 5.562 1.00 0.00 N ATOM 1025 CA GLU A 66 3.977 -8.992 5.540 1.00 0.00 C ATOM 1026 C GLU A 66 4.475 -9.202 4.106 1.00 0.00 C ATOM 1027 O GLU A 66 5.454 -8.616 3.694 1.00 0.00 O ATOM 1028 CB GLU A 66 3.349 -10.280 6.066 1.00 0.00 C ATOM 1029 CG GLU A 66 4.275 -11.461 5.767 1.00 0.00 C ATOM 1030 CD GLU A 66 3.835 -12.675 6.586 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.003 -13.423 6.100 1.00 0.00 O ATOM 1032 OE2 GLU A 66 4.338 -12.837 7.686 1.00 0.00 O ATOM 0 H GLU A 66 3.137 -7.160 6.234 1.00 0.00 H new ATOM 0 HA GLU A 66 4.821 -8.716 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.178 -10.201 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.377 -10.440 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.248 -11.698 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.305 -11.200 6.009 1.00 0.00 H new ATOM 1039 N LYS A 67 3.812 -10.037 3.347 1.00 0.00 N ATOM 1040 CA LYS A 67 4.244 -10.284 1.949 1.00 0.00 C ATOM 1041 C LYS A 67 4.249 -8.964 1.173 1.00 0.00 C ATOM 1042 O LYS A 67 3.234 -8.525 0.672 1.00 0.00 O ATOM 1043 CB LYS A 67 3.267 -11.259 1.299 1.00 0.00 C ATOM 1044 CG LYS A 67 1.842 -10.961 1.771 1.00 0.00 C ATOM 1045 CD LYS A 67 0.840 -11.544 0.772 1.00 0.00 C ATOM 1046 CE LYS A 67 0.491 -10.486 -0.277 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.278 -10.738 -1.518 1.00 0.00 N ATOM 0 H LYS A 67 2.986 -10.558 3.642 1.00 0.00 H new ATOM 0 HA LYS A 67 5.249 -10.706 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.325 -11.176 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.537 -12.283 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.678 -11.390 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.696 -9.885 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.263 -12.425 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.062 -11.867 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.576 -10.516 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.709 -9.490 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.794 -10.305 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.226 -10.322 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.364 -11.763 -1.672 1.00 0.00 H new ATOM 1061 N LEU A 68 5.388 -8.331 1.079 1.00 0.00 N ATOM 1062 CA LEU A 68 5.479 -7.033 0.348 1.00 0.00 C ATOM 1063 C LEU A 68 6.743 -6.307 0.807 1.00 0.00 C ATOM 1064 O LEU A 68 7.369 -5.583 0.058 1.00 0.00 O ATOM 1065 CB LEU A 68 4.247 -6.177 0.677 1.00 0.00 C ATOM 1066 CG LEU A 68 4.524 -4.706 0.349 1.00 0.00 C ATOM 1067 CD1 LEU A 68 3.199 -3.981 0.134 1.00 0.00 C ATOM 1068 CD2 LEU A 68 5.269 -4.049 1.513 1.00 0.00 C ATOM 0 H LEU A 68 6.266 -8.660 1.480 1.00 0.00 H new ATOM 0 HA LEU A 68 5.518 -7.207 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.387 -6.529 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.994 -6.281 1.732 1.00 0.00 H new ATOM 0 HG LEU A 68 5.133 -4.646 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.391 -2.934 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.661 -4.444 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.597 -4.046 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.464 -3.003 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.660 -4.109 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.214 -4.566 1.678 1.00 0.00 H new ATOM 1080 N ARG A 69 7.110 -6.493 2.042 1.00 0.00 N ATOM 1081 CA ARG A 69 8.322 -5.821 2.582 1.00 0.00 C ATOM 1082 C ARG A 69 9.496 -5.989 1.612 1.00 0.00 C ATOM 1083 O ARG A 69 10.195 -5.046 1.306 1.00 0.00 O ATOM 1084 CB ARG A 69 8.672 -6.452 3.925 1.00 0.00 C ATOM 1085 CG ARG A 69 9.578 -5.509 4.718 1.00 0.00 C ATOM 1086 CD ARG A 69 9.062 -5.404 6.153 1.00 0.00 C ATOM 1087 NE ARG A 69 10.123 -4.818 7.021 1.00 0.00 N ATOM 1088 CZ ARG A 69 11.347 -5.263 6.946 1.00 0.00 C ATOM 1089 NH1 ARG A 69 11.641 -6.448 7.409 1.00 0.00 N ATOM 1090 NH2 ARG A 69 12.278 -4.524 6.408 1.00 0.00 N ATOM 0 H ARG A 69 6.617 -7.088 2.707 1.00 0.00 H new ATOM 0 HA ARG A 69 8.125 -4.756 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.762 -6.657 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.173 -7.407 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.603 -5.881 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.594 -4.524 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.167 -4.782 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.779 -6.390 6.522 1.00 0.00 H new ATOM 0 HE ARG A 69 9.892 -4.069 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.913 -7.026 7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.598 -6.796 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.049 -3.598 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.235 -4.872 6.349 1.00 0.00 H new ATOM 1104 N TYR A 70 9.723 -7.183 1.133 1.00 0.00 N ATOM 1105 CA TYR A 70 10.859 -7.403 0.189 1.00 0.00 C ATOM 1106 C TYR A 70 10.901 -6.269 -0.838 1.00 0.00 C ATOM 1107 O TYR A 70 11.949 -5.737 -1.148 1.00 0.00 O ATOM 1108 CB TYR A 70 10.678 -8.740 -0.532 1.00 0.00 C ATOM 1109 CG TYR A 70 9.247 -8.884 -0.988 1.00 0.00 C ATOM 1110 CD1 TYR A 70 8.856 -8.381 -2.235 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.311 -9.524 -0.168 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.529 -8.516 -2.660 1.00 0.00 C ATOM 1113 CE2 TYR A 70 6.984 -9.659 -0.592 1.00 0.00 C ATOM 1114 CZ TYR A 70 6.593 -9.156 -1.838 1.00 0.00 C ATOM 1115 OH TYR A 70 5.285 -9.289 -2.257 1.00 0.00 O ATOM 0 H TYR A 70 9.173 -8.014 1.353 1.00 0.00 H new ATOM 0 HA TYR A 70 11.794 -7.419 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.350 -8.796 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.942 -9.562 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.578 -7.889 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.613 -9.914 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.227 -8.127 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.262 -10.151 0.042 1.00 0.00 H new ATOM 0 HH TYR A 70 4.767 -9.757 -1.569 1.00 0.00 H new ATOM 1125 N LEU A 71 9.768 -5.895 -1.367 1.00 0.00 N ATOM 1126 CA LEU A 71 9.738 -4.795 -2.370 1.00 0.00 C ATOM 1127 C LEU A 71 10.053 -3.466 -1.677 1.00 0.00 C ATOM 1128 O LEU A 71 10.752 -2.627 -2.210 1.00 0.00 O ATOM 1129 CB LEU A 71 8.346 -4.723 -3.005 1.00 0.00 C ATOM 1130 CG LEU A 71 8.274 -5.669 -4.203 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.815 -5.842 -4.630 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.074 -5.077 -5.363 1.00 0.00 C ATOM 0 H LEU A 71 8.860 -6.305 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 71 10.481 -4.986 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.587 -4.993 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.134 -3.702 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 71 8.690 -6.638 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.764 -6.517 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.241 -6.260 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.400 -4.873 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.025 -5.749 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.655 -4.109 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.114 -4.950 -5.061 1.00 0.00 H new ATOM 1144 N ALA A 72 9.545 -3.269 -0.491 1.00 0.00 N ATOM 1145 CA ALA A 72 9.815 -1.996 0.234 1.00 0.00 C ATOM 1146 C ALA A 72 11.240 -2.015 0.795 1.00 0.00 C ATOM 1147 O ALA A 72 11.707 -1.045 1.360 1.00 0.00 O ATOM 1148 CB ALA A 72 8.819 -1.845 1.385 1.00 0.00 C ATOM 0 H ALA A 72 8.955 -3.935 0.007 1.00 0.00 H new ATOM 0 HA ALA A 72 9.708 -1.158 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.016 -0.914 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.804 -1.829 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.927 -2.684 2.072 1.00 0.00 H new ATOM 1154 N ASP A 73 11.935 -3.109 0.644 1.00 0.00 N ATOM 1155 CA ASP A 73 13.328 -3.185 1.170 1.00 0.00 C ATOM 1156 C ASP A 73 14.312 -2.807 0.061 1.00 0.00 C ATOM 1157 O ASP A 73 15.498 -2.672 0.292 1.00 0.00 O ATOM 1158 CB ASP A 73 13.616 -4.611 1.644 1.00 0.00 C ATOM 1159 CG ASP A 73 12.911 -4.857 2.979 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.770 -3.910 3.736 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.525 -5.989 3.223 1.00 0.00 O ATOM 0 H ASP A 73 11.599 -3.953 0.180 1.00 0.00 H new ATOM 0 HA ASP A 73 13.440 -2.495 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.271 -5.329 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.690 -4.759 1.755 1.00 0.00 H new ATOM 1166 N ALA A 74 13.833 -2.636 -1.140 1.00 0.00 N ATOM 1167 CA ALA A 74 14.743 -2.268 -2.260 1.00 0.00 C ATOM 1168 C ALA A 74 14.980 -0.753 -2.249 1.00 0.00 C ATOM 1169 O ALA A 74 14.202 -0.012 -1.685 1.00 0.00 O ATOM 1170 CB ALA A 74 14.099 -2.666 -3.589 1.00 0.00 C ATOM 0 H ALA A 74 12.850 -2.735 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 74 15.693 -2.788 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.764 -2.397 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.924 -3.742 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.150 -2.143 -3.704 1.00 0.00 H new ATOM 1176 N PRO A 75 16.049 -0.340 -2.882 1.00 0.00 N ATOM 1177 CA PRO A 75 16.394 1.071 -2.962 1.00 0.00 C ATOM 1178 C PRO A 75 15.178 1.880 -3.425 1.00 0.00 C ATOM 1179 O PRO A 75 14.588 1.598 -4.449 1.00 0.00 O ATOM 1180 CB PRO A 75 17.511 1.131 -3.997 1.00 0.00 C ATOM 1181 CG PRO A 75 18.144 -0.296 -3.933 1.00 0.00 C ATOM 1182 CD PRO A 75 16.981 -1.258 -3.553 1.00 0.00 C ATOM 0 HA PRO A 75 16.702 1.488 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.125 1.355 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.240 1.905 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.583 -0.573 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.943 -0.337 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.534 -1.728 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.311 -2.061 -2.894 1.00 0.00 H new ATOM 1190 N GLN A 76 14.792 2.878 -2.677 1.00 0.00 N ATOM 1191 CA GLN A 76 13.609 3.693 -3.076 1.00 0.00 C ATOM 1192 C GLN A 76 14.071 5.036 -3.648 1.00 0.00 C ATOM 1193 O GLN A 76 13.510 6.071 -3.349 1.00 0.00 O ATOM 1194 CB GLN A 76 12.725 3.940 -1.853 1.00 0.00 C ATOM 1195 CG GLN A 76 13.466 4.831 -0.855 1.00 0.00 C ATOM 1196 CD GLN A 76 12.691 4.881 0.463 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.209 5.923 0.860 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.550 3.789 1.163 1.00 0.00 N ATOM 0 H GLN A 76 15.244 3.164 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 76 13.043 3.154 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.792 4.415 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.463 2.992 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.471 4.444 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.576 5.836 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.955 2.914 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.035 3.810 2.043 1.00 0.00 H new ATOM 1207 N GLN A 77 15.078 5.024 -4.478 1.00 0.00 N ATOM 1208 CA GLN A 77 15.570 6.297 -5.079 1.00 0.00 C ATOM 1209 C GLN A 77 16.974 6.086 -5.646 1.00 0.00 C ATOM 1210 O GLN A 77 17.406 6.790 -6.534 1.00 0.00 O ATOM 1211 CB GLN A 77 15.614 7.397 -4.013 1.00 0.00 C ATOM 1212 CG GLN A 77 16.195 6.838 -2.712 1.00 0.00 C ATOM 1213 CD GLN A 77 15.346 7.307 -1.530 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.272 7.844 -1.714 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.785 7.126 -0.314 1.00 0.00 N ATOM 0 H GLN A 77 15.583 4.186 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 77 14.892 6.598 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.221 8.231 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.611 7.785 -3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.215 5.749 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.225 7.172 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.687 6.675 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.226 7.435 0.481 1.00 0.00 H new ATOM 1224 N ASP A 78 17.687 5.119 -5.138 1.00 0.00 N ATOM 1225 CA ASP A 78 19.064 4.857 -5.646 1.00 0.00 C ATOM 1226 C ASP A 78 20.043 5.865 -5.008 1.00 0.00 C ATOM 1227 O ASP A 78 19.629 6.867 -4.461 1.00 0.00 O ATOM 1228 CB ASP A 78 19.054 4.930 -7.190 1.00 0.00 C ATOM 1229 CG ASP A 78 19.881 6.108 -7.713 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.388 7.222 -7.664 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.993 5.874 -8.156 1.00 0.00 O ATOM 0 H ASP A 78 17.375 4.498 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 78 19.401 3.859 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.448 4.000 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.027 5.023 -7.542 1.00 0.00 H new ATOM 1236 N PRO A 79 21.315 5.542 -5.074 1.00 0.00 N ATOM 1237 CA PRO A 79 22.375 6.366 -4.486 1.00 0.00 C ATOM 1238 C PRO A 79 22.234 7.856 -4.840 1.00 0.00 C ATOM 1239 O PRO A 79 22.828 8.703 -4.204 1.00 0.00 O ATOM 1240 CB PRO A 79 23.661 5.797 -5.076 1.00 0.00 C ATOM 1241 CG PRO A 79 23.293 4.314 -5.394 1.00 0.00 C ATOM 1242 CD PRO A 79 21.779 4.320 -5.751 1.00 0.00 C ATOM 0 HA PRO A 79 22.345 6.330 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.964 6.336 -5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.489 5.862 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.889 3.933 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.490 3.670 -4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.613 4.361 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.269 3.430 -5.383 1.00 0.00 H new ATOM 1250 N GLU A 80 21.471 8.188 -5.841 1.00 0.00 N ATOM 1251 CA GLU A 80 21.321 9.622 -6.212 1.00 0.00 C ATOM 1252 C GLU A 80 20.152 10.235 -5.439 1.00 0.00 C ATOM 1253 O GLU A 80 20.336 11.081 -4.587 1.00 0.00 O ATOM 1254 CB GLU A 80 21.051 9.732 -7.714 1.00 0.00 C ATOM 1255 CG GLU A 80 21.349 11.157 -8.186 1.00 0.00 C ATOM 1256 CD GLU A 80 20.063 11.985 -8.161 1.00 0.00 C ATOM 1257 OE1 GLU A 80 19.451 12.061 -7.108 1.00 0.00 O ATOM 1258 OE2 GLU A 80 19.712 12.528 -9.195 1.00 0.00 O ATOM 0 H GLU A 80 20.945 7.531 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 80 22.238 10.157 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.672 9.020 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.013 9.477 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.101 11.614 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.762 11.138 -9.195 1.00 0.00 H new ATOM 1265 N GLY A 81 18.952 9.813 -5.725 1.00 0.00 N ATOM 1266 CA GLY A 81 17.776 10.375 -5.000 1.00 0.00 C ATOM 1267 C GLY A 81 16.661 10.707 -5.994 1.00 0.00 C ATOM 1268 O GLY A 81 15.931 11.664 -5.823 1.00 0.00 O ATOM 0 H GLY A 81 18.734 9.106 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.416 9.658 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.069 11.273 -4.455 1.00 0.00 H new ATOM 1272 N ASN A 82 16.517 9.924 -7.029 1.00 0.00 N ATOM 1273 CA ASN A 82 15.442 10.200 -8.027 1.00 0.00 C ATOM 1274 C ASN A 82 14.220 9.343 -7.690 1.00 0.00 C ATOM 1275 O ASN A 82 13.361 9.117 -8.519 1.00 0.00 O ATOM 1276 CB ASN A 82 15.928 9.851 -9.440 1.00 0.00 C ATOM 1277 CG ASN A 82 17.458 9.819 -9.480 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.102 10.845 -9.375 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.071 8.676 -9.629 1.00 0.00 N ATOM 0 H ASN A 82 17.095 9.107 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 82 15.183 11.258 -7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.529 8.882 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.554 10.586 -10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.090 8.644 -9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.531 7.815 -9.717 1.00 0.00 H new ATOM 1286 N LYS A 83 14.143 8.862 -6.480 1.00 0.00 N ATOM 1287 CA LYS A 83 12.989 8.014 -6.082 1.00 0.00 C ATOM 1288 C LYS A 83 12.930 6.782 -6.964 1.00 0.00 C ATOM 1289 O LYS A 83 13.139 6.834 -8.159 1.00 0.00 O ATOM 1290 CB LYS A 83 11.704 8.796 -6.213 1.00 0.00 C ATOM 1291 CG LYS A 83 11.627 9.789 -5.062 1.00 0.00 C ATOM 1292 CD LYS A 83 10.177 9.929 -4.609 1.00 0.00 C ATOM 1293 CE LYS A 83 9.717 11.376 -4.797 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.229 11.416 -4.889 1.00 0.00 N ATOM 0 H LYS A 83 14.834 9.022 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 83 13.115 7.708 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.674 9.320 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.847 8.123 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.247 9.450 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.016 10.757 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.540 9.257 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.083 9.640 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.057 11.988 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.159 11.795 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.948 11.771 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.847 10.458 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.852 12.047 -4.153 1.00 0.00 H new ATOM 1308 N THR A 84 12.659 5.669 -6.368 1.00 0.00 N ATOM 1309 CA THR A 84 12.597 4.407 -7.143 1.00 0.00 C ATOM 1310 C THR A 84 11.352 3.626 -6.742 1.00 0.00 C ATOM 1311 O THR A 84 11.105 3.383 -5.578 1.00 0.00 O ATOM 1312 CB THR A 84 13.848 3.582 -6.848 1.00 0.00 C ATOM 1313 OG1 THR A 84 14.977 4.441 -6.804 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.049 2.544 -7.944 1.00 0.00 C ATOM 0 H THR A 84 12.476 5.574 -5.369 1.00 0.00 H new ATOM 0 HA THR A 84 12.549 4.626 -8.210 1.00 0.00 H new ATOM 0 HB THR A 84 13.730 3.078 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.573 4.237 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 84 14.942 1.957 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.182 1.884 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.166 3.047 -8.904 1.00 0.00 H new ATOM 1322 N MET A 85 10.563 3.233 -7.701 1.00 0.00 N ATOM 1323 CA MET A 85 9.330 2.469 -7.374 1.00 0.00 C ATOM 1324 C MET A 85 9.525 1.007 -7.763 1.00 0.00 C ATOM 1325 O MET A 85 10.606 0.588 -8.122 1.00 0.00 O ATOM 1326 CB MET A 85 8.128 3.076 -8.117 1.00 0.00 C ATOM 1327 CG MET A 85 8.014 2.490 -9.526 1.00 0.00 C ATOM 1328 SD MET A 85 6.462 3.031 -10.281 1.00 0.00 S ATOM 1329 CE MET A 85 5.659 1.410 -10.292 1.00 0.00 C ATOM 0 H MET A 85 10.718 3.407 -8.694 1.00 0.00 H new ATOM 0 HA MET A 85 9.134 2.525 -6.303 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.212 2.879 -7.560 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.239 4.159 -8.175 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.859 2.812 -10.135 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.050 1.401 -9.483 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.578 1.540 -10.345 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.999 0.842 -11.158 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.916 0.871 -9.380 1.00 0.00 H new ATOM 1339 N VAL A 86 8.492 0.223 -7.687 1.00 0.00 N ATOM 1340 CA VAL A 86 8.630 -1.210 -8.046 1.00 0.00 C ATOM 1341 C VAL A 86 8.238 -1.430 -9.510 1.00 0.00 C ATOM 1342 O VAL A 86 7.572 -0.620 -10.122 1.00 0.00 O ATOM 1343 CB VAL A 86 7.720 -2.044 -7.143 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.622 -3.467 -7.690 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.304 -2.079 -5.729 1.00 0.00 C ATOM 0 H VAL A 86 7.559 0.512 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 86 9.668 -1.514 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 86 6.726 -1.598 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.973 -4.061 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.208 -3.442 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.615 -3.916 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.657 -2.673 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.298 -2.525 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.373 -1.064 -5.339 1.00 0.00 H new ATOM 1355 N ARG A 87 8.647 -2.535 -10.061 1.00 0.00 N ATOM 1356 CA ARG A 87 8.308 -2.864 -11.475 1.00 0.00 C ATOM 1357 C ARG A 87 8.110 -4.378 -11.573 1.00 0.00 C ATOM 1358 O ARG A 87 8.244 -5.088 -10.596 1.00 0.00 O ATOM 1359 CB ARG A 87 9.448 -2.455 -12.410 1.00 0.00 C ATOM 1360 CG ARG A 87 9.918 -1.043 -12.072 1.00 0.00 C ATOM 1361 CD ARG A 87 8.934 -0.032 -12.654 1.00 0.00 C ATOM 1362 NE ARG A 87 9.676 1.160 -13.155 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.815 1.350 -14.439 1.00 0.00 C ATOM 1364 NH1 ARG A 87 9.741 0.339 -15.261 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.028 2.552 -14.900 1.00 0.00 N ATOM 0 H ARG A 87 9.212 -3.238 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 87 7.406 -2.327 -11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.277 -3.156 -12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.113 -2.497 -13.446 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.988 -0.919 -10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.915 -0.872 -12.477 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.367 -0.488 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.214 0.269 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 87 10.075 1.827 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.574 -0.600 -14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.850 0.488 -16.264 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.086 3.342 -14.257 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.137 2.702 -15.903 1.00 0.00 H new ATOM 1379 N PHE A 88 7.807 -4.887 -12.732 1.00 0.00 N ATOM 1380 CA PHE A 88 7.623 -6.360 -12.858 1.00 0.00 C ATOM 1381 C PHE A 88 8.248 -6.854 -14.161 1.00 0.00 C ATOM 1382 O PHE A 88 7.982 -6.336 -15.227 1.00 0.00 O ATOM 1383 CB PHE A 88 6.135 -6.707 -12.854 1.00 0.00 C ATOM 1384 CG PHE A 88 5.985 -8.210 -12.902 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.968 -8.873 -14.134 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.872 -8.939 -11.712 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.834 -10.266 -14.176 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.740 -10.332 -11.755 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.721 -10.995 -12.987 1.00 0.00 C ATOM 0 H PHE A 88 7.679 -4.353 -13.592 1.00 0.00 H new ATOM 0 HA PHE A 88 8.110 -6.844 -12.012 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.657 -6.308 -11.959 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.639 -6.251 -13.711 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.058 -8.311 -15.052 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.887 -8.427 -10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.818 -10.778 -15.127 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.653 -10.895 -10.837 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.619 -12.070 -13.020 1.00 0.00 H new ATOM 1399 N SER A 89 9.068 -7.863 -14.081 1.00 0.00 N ATOM 1400 CA SER A 89 9.703 -8.407 -15.311 1.00 0.00 C ATOM 1401 C SER A 89 9.062 -9.755 -15.641 1.00 0.00 C ATOM 1402 O SER A 89 8.884 -10.594 -14.780 1.00 0.00 O ATOM 1403 CB SER A 89 11.202 -8.597 -15.073 1.00 0.00 C ATOM 1404 OG SER A 89 11.839 -7.327 -15.052 1.00 0.00 O ATOM 0 H SER A 89 9.326 -8.335 -13.215 1.00 0.00 H new ATOM 0 HA SER A 89 9.558 -7.715 -16.140 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.369 -9.116 -14.129 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.631 -9.219 -15.859 1.00 0.00 H new ATOM 0 HG SER A 89 11.200 -6.645 -14.756 1.00 0.00 H new ATOM 1410 N ARG A 90 8.708 -9.970 -16.878 1.00 0.00 N ATOM 1411 CA ARG A 90 8.076 -11.265 -17.252 1.00 0.00 C ATOM 1412 C ARG A 90 9.165 -12.266 -17.633 1.00 0.00 C ATOM 1413 O ARG A 90 8.922 -13.451 -17.743 1.00 0.00 O ATOM 1414 CB ARG A 90 7.136 -11.051 -18.439 1.00 0.00 C ATOM 1415 CG ARG A 90 6.693 -12.408 -18.990 1.00 0.00 C ATOM 1416 CD ARG A 90 5.599 -12.202 -20.038 1.00 0.00 C ATOM 1417 NE ARG A 90 6.010 -12.845 -21.318 1.00 0.00 N ATOM 1418 CZ ARG A 90 5.108 -13.355 -22.112 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.311 -12.568 -22.783 1.00 0.00 N ATOM 1420 NH2 ARG A 90 5.003 -14.649 -22.235 1.00 0.00 N ATOM 0 H ARG A 90 8.829 -9.307 -17.643 1.00 0.00 H new ATOM 0 HA ARG A 90 7.506 -11.652 -16.407 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.267 -10.471 -18.128 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.640 -10.478 -19.217 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.543 -12.927 -19.433 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.322 -13.037 -18.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.660 -12.631 -19.688 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.425 -11.137 -20.193 1.00 0.00 H new ATOM 0 HE ARG A 90 6.997 -12.887 -21.574 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.394 -11.556 -22.686 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.606 -12.965 -23.404 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.626 -15.263 -21.711 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.298 -15.047 -22.856 1.00 0.00 H new ATOM 1434 N LYS A 91 10.367 -11.800 -17.827 1.00 0.00 N ATOM 1435 CA LYS A 91 11.472 -12.729 -18.190 1.00 0.00 C ATOM 1436 C LYS A 91 11.700 -13.704 -17.035 1.00 0.00 C ATOM 1437 O LYS A 91 12.258 -14.770 -17.209 1.00 0.00 O ATOM 1438 CB LYS A 91 12.752 -11.928 -18.444 1.00 0.00 C ATOM 1439 CG LYS A 91 12.762 -11.426 -19.888 1.00 0.00 C ATOM 1440 CD LYS A 91 11.607 -10.444 -20.097 1.00 0.00 C ATOM 1441 CE LYS A 91 11.808 -9.220 -19.201 1.00 0.00 C ATOM 1442 NZ LYS A 91 13.102 -8.564 -19.541 1.00 0.00 N ATOM 0 H LYS A 91 10.631 -10.818 -17.750 1.00 0.00 H new ATOM 0 HA LYS A 91 11.209 -13.281 -19.093 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.809 -11.086 -17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.627 -12.552 -18.259 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.712 -10.938 -20.108 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.668 -12.266 -20.576 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.560 -10.139 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.658 -10.927 -19.863 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.985 -8.518 -19.336 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.803 -9.518 -18.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.080 -7.572 -19.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.880 -9.060 -19.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.251 -8.602 -20.570 1.00 0.00 H new ATOM 1456 N THR A 92 11.271 -13.347 -15.855 1.00 0.00 N ATOM 1457 CA THR A 92 11.460 -14.251 -14.687 1.00 0.00 C ATOM 1458 C THR A 92 10.310 -14.057 -13.698 1.00 0.00 C ATOM 1459 O THR A 92 10.378 -14.483 -12.563 1.00 0.00 O ATOM 1460 CB THR A 92 12.785 -13.921 -13.996 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.003 -12.518 -14.042 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.930 -14.640 -14.710 1.00 0.00 C ATOM 0 H THR A 92 10.797 -12.467 -15.650 1.00 0.00 H new ATOM 0 HA THR A 92 11.474 -15.286 -15.029 1.00 0.00 H new ATOM 0 HB THR A 92 12.745 -14.250 -12.958 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.850 -12.304 -13.598 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.872 -14.403 -14.216 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.762 -15.716 -14.675 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.973 -14.313 -15.749 1.00 0.00 H new ATOM 1470 N LYS A 93 9.253 -13.414 -14.119 1.00 0.00 N ATOM 1471 CA LYS A 93 8.102 -13.191 -13.199 1.00 0.00 C ATOM 1472 C LYS A 93 8.626 -12.753 -11.831 1.00 0.00 C ATOM 1473 O LYS A 93 8.445 -13.434 -10.840 1.00 0.00 O ATOM 1474 CB LYS A 93 7.308 -14.491 -13.050 1.00 0.00 C ATOM 1475 CG LYS A 93 6.189 -14.529 -14.092 1.00 0.00 C ATOM 1476 CD LYS A 93 5.574 -15.929 -14.131 1.00 0.00 C ATOM 1477 CE LYS A 93 4.094 -15.827 -14.508 1.00 0.00 C ATOM 1478 NZ LYS A 93 3.970 -15.294 -15.894 1.00 0.00 N ATOM 0 H LYS A 93 9.138 -13.035 -15.059 1.00 0.00 H new ATOM 0 HA LYS A 93 7.453 -12.416 -13.607 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.968 -15.349 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.887 -14.560 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.425 -13.791 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.583 -14.266 -15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.102 -16.550 -14.855 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.680 -16.411 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.622 -16.807 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.574 -15.174 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.984 -15.382 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.250 -14.292 -15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.590 -15.835 -16.531 1.00 0.00 H new ATOM 1492 N GLN A 94 9.277 -11.623 -11.765 1.00 0.00 N ATOM 1493 CA GLN A 94 9.813 -11.150 -10.457 1.00 0.00 C ATOM 1494 C GLN A 94 9.510 -9.661 -10.281 1.00 0.00 C ATOM 1495 O GLN A 94 8.782 -9.069 -11.052 1.00 0.00 O ATOM 1496 CB GLN A 94 11.326 -11.371 -10.416 1.00 0.00 C ATOM 1497 CG GLN A 94 11.624 -12.859 -10.228 1.00 0.00 C ATOM 1498 CD GLN A 94 13.060 -13.155 -10.661 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.395 -14.282 -10.968 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.932 -12.183 -10.701 1.00 0.00 N ATOM 0 H GLN A 94 9.460 -11.009 -12.558 1.00 0.00 H new ATOM 0 HA GLN A 94 9.340 -11.711 -9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.781 -11.013 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.765 -10.796 -9.601 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.484 -13.139 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.926 -13.457 -10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.653 -11.236 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.892 -12.371 -10.990 1.00 0.00 H new ATOM 1509 N GLN A 95 10.064 -9.052 -9.267 1.00 0.00 N ATOM 1510 CA GLN A 95 9.809 -7.602 -9.037 1.00 0.00 C ATOM 1511 C GLN A 95 11.129 -6.829 -9.083 1.00 0.00 C ATOM 1512 O GLN A 95 12.038 -7.085 -8.319 1.00 0.00 O ATOM 1513 CB GLN A 95 9.160 -7.404 -7.663 1.00 0.00 C ATOM 1514 CG GLN A 95 7.827 -6.675 -7.828 1.00 0.00 C ATOM 1515 CD GLN A 95 6.865 -7.542 -8.638 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.249 -8.566 -9.167 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.620 -7.171 -8.759 1.00 0.00 N ATOM 0 H GLN A 95 10.682 -9.497 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 95 9.142 -7.232 -9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.001 -8.369 -7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.823 -6.830 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.398 -6.454 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.983 -5.720 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.299 -6.311 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.968 -7.741 -9.298 1.00 0.00 H new ATOM 1526 N TYR A 96 11.234 -5.873 -9.965 1.00 0.00 N ATOM 1527 CA TYR A 96 12.485 -5.069 -10.053 1.00 0.00 C ATOM 1528 C TYR A 96 12.122 -3.590 -9.891 1.00 0.00 C ATOM 1529 O TYR A 96 11.143 -3.130 -10.430 1.00 0.00 O ATOM 1530 CB TYR A 96 13.163 -5.311 -11.409 1.00 0.00 C ATOM 1531 CG TYR A 96 12.471 -4.518 -12.493 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.838 -3.187 -12.727 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.471 -5.117 -13.269 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.203 -2.454 -13.737 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.837 -4.383 -14.278 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.203 -3.052 -14.513 1.00 0.00 C ATOM 1537 OH TYR A 96 10.579 -2.330 -15.510 1.00 0.00 O ATOM 0 H TYR A 96 10.505 -5.614 -10.630 1.00 0.00 H new ATOM 0 HA TYR A 96 13.180 -5.363 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.213 -5.024 -11.354 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.135 -6.373 -11.652 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.610 -2.726 -12.129 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.189 -6.144 -13.089 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.485 -1.427 -13.917 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.065 -4.844 -14.876 1.00 0.00 H new ATOM 0 HH TYR A 96 9.911 -2.894 -15.953 1.00 0.00 H new ATOM 1547 N VAL A 97 12.885 -2.842 -9.145 1.00 0.00 N ATOM 1548 CA VAL A 97 12.538 -1.402 -8.951 1.00 0.00 C ATOM 1549 C VAL A 97 13.165 -0.558 -10.057 1.00 0.00 C ATOM 1550 O VAL A 97 13.989 -1.022 -10.817 1.00 0.00 O ATOM 1551 CB VAL A 97 13.067 -0.919 -7.599 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.123 -1.372 -6.487 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.459 -1.504 -7.354 1.00 0.00 C ATOM 0 H VAL A 97 13.727 -3.159 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 97 11.453 -1.298 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 97 13.126 0.169 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.502 -1.027 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.132 -0.953 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.061 -2.460 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.834 -1.159 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.401 -2.592 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.135 -1.178 -8.145 1.00 0.00 H new ATOM 1563 N SER A 98 12.765 0.681 -10.150 1.00 0.00 N ATOM 1564 CA SER A 98 13.317 1.584 -11.203 1.00 0.00 C ATOM 1565 C SER A 98 13.316 3.028 -10.683 1.00 0.00 C ATOM 1566 O SER A 98 12.294 3.553 -10.288 1.00 0.00 O ATOM 1567 CB SER A 98 12.444 1.480 -12.455 1.00 0.00 C ATOM 1568 OG SER A 98 11.908 2.759 -12.776 1.00 0.00 O ATOM 0 H SER A 98 12.073 1.111 -9.536 1.00 0.00 H new ATOM 0 HA SER A 98 14.338 1.293 -11.448 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.034 1.102 -13.290 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.636 0.768 -12.288 1.00 0.00 H new ATOM 0 HG SER A 98 12.329 3.094 -13.595 1.00 0.00 H new ATOM 1574 N SER A 99 14.453 3.671 -10.675 1.00 0.00 N ATOM 1575 CA SER A 99 14.520 5.076 -10.179 1.00 0.00 C ATOM 1576 C SER A 99 14.164 6.041 -11.314 1.00 0.00 C ATOM 1577 O SER A 99 14.874 6.989 -11.582 1.00 0.00 O ATOM 1578 CB SER A 99 15.936 5.376 -9.685 1.00 0.00 C ATOM 1579 OG SER A 99 16.499 4.194 -9.129 1.00 0.00 O ATOM 0 H SER A 99 15.341 3.282 -10.992 1.00 0.00 H new ATOM 0 HA SER A 99 13.812 5.202 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.553 5.734 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.913 6.168 -8.937 1.00 0.00 H new ATOM 0 HG SER A 99 17.444 4.131 -9.382 1.00 0.00 H new ATOM 1585 N GLU A 100 13.066 5.806 -11.979 1.00 0.00 N ATOM 1586 CA GLU A 100 12.659 6.708 -13.095 1.00 0.00 C ATOM 1587 C GLU A 100 11.578 7.671 -12.596 1.00 0.00 C ATOM 1588 O GLU A 100 10.412 7.335 -12.543 1.00 0.00 O ATOM 1589 CB GLU A 100 12.104 5.867 -14.247 1.00 0.00 C ATOM 1590 CG GLU A 100 11.384 6.774 -15.248 1.00 0.00 C ATOM 1591 CD GLU A 100 9.908 6.381 -15.324 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.634 5.244 -15.674 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.075 7.223 -15.033 1.00 0.00 O ATOM 0 H GLU A 100 12.432 5.028 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 100 13.521 7.277 -13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.914 5.333 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.415 5.115 -13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.478 7.816 -14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.846 6.686 -16.232 1.00 0.00 H new ATOM 1600 N LYS A 101 11.955 8.866 -12.231 1.00 0.00 N ATOM 1601 CA LYS A 101 10.946 9.843 -11.737 1.00 0.00 C ATOM 1602 C LYS A 101 11.461 11.270 -11.927 1.00 0.00 C ATOM 1603 O LYS A 101 12.590 11.485 -12.321 1.00 0.00 O ATOM 1604 CB LYS A 101 10.673 9.592 -10.266 1.00 0.00 C ATOM 1605 CG LYS A 101 9.193 9.266 -10.120 1.00 0.00 C ATOM 1606 CD LYS A 101 8.639 9.956 -8.882 1.00 0.00 C ATOM 1607 CE LYS A 101 8.289 8.910 -7.822 1.00 0.00 C ATOM 1608 NZ LYS A 101 7.021 9.297 -7.141 1.00 0.00 N ATOM 0 H LYS A 101 12.916 9.207 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 101 10.024 9.720 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.284 8.768 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.932 10.470 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.649 9.594 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.054 8.188 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.373 10.658 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.753 10.535 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.181 7.929 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.096 8.831 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.888 8.708 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.068 10.298 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.221 9.155 -7.790 1.00 0.00 H new ATOM 1622 N ASP A 102 10.637 12.246 -11.652 1.00 0.00 N ATOM 1623 CA ASP A 102 11.067 13.665 -11.812 1.00 0.00 C ATOM 1624 C ASP A 102 11.000 14.063 -13.289 1.00 0.00 C ATOM 1625 O ASP A 102 11.208 15.206 -13.643 1.00 0.00 O ATOM 1626 CB ASP A 102 12.500 13.832 -11.302 1.00 0.00 C ATOM 1627 CG ASP A 102 12.626 15.162 -10.559 1.00 0.00 C ATOM 1628 OD1 ASP A 102 12.358 16.185 -11.166 1.00 0.00 O ATOM 1629 OD2 ASP A 102 12.989 15.135 -9.394 1.00 0.00 O ATOM 0 H ASP A 102 9.680 12.120 -11.322 1.00 0.00 H new ATOM 0 HA ASP A 102 10.401 14.307 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.760 13.007 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.200 13.802 -12.137 1.00 0.00 H new ATOM 1634 N GLY A 103 10.712 13.130 -14.153 1.00 0.00 N ATOM 1635 CA GLY A 103 10.634 13.458 -15.604 1.00 0.00 C ATOM 1636 C GLY A 103 12.031 13.371 -16.214 1.00 0.00 C ATOM 1637 O GLY A 103 12.351 14.065 -17.158 1.00 0.00 O ATOM 0 H GLY A 103 10.527 12.155 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.960 12.767 -16.110 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.226 14.459 -15.741 1.00 0.00 H new ATOM 1641 N LYS A 104 12.868 12.526 -15.678 1.00 0.00 N ATOM 1642 CA LYS A 104 14.245 12.399 -16.226 1.00 0.00 C ATOM 1643 C LYS A 104 14.494 10.954 -16.659 1.00 0.00 C ATOM 1644 O LYS A 104 15.458 10.657 -17.336 1.00 0.00 O ATOM 1645 CB LYS A 104 15.259 12.791 -15.149 1.00 0.00 C ATOM 1646 CG LYS A 104 14.863 12.150 -13.818 1.00 0.00 C ATOM 1647 CD LYS A 104 16.026 12.258 -12.832 1.00 0.00 C ATOM 1648 CE LYS A 104 16.048 13.660 -12.220 1.00 0.00 C ATOM 1649 NZ LYS A 104 17.148 13.748 -11.218 1.00 0.00 N ATOM 0 H LYS A 104 12.657 11.919 -14.886 1.00 0.00 H new ATOM 0 HA LYS A 104 14.354 13.058 -17.087 1.00 0.00 H new ATOM 0 HB2 LYS A 104 16.258 12.465 -15.439 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.295 13.876 -15.046 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.981 12.646 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.598 11.104 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.922 11.509 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.968 12.057 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.192 14.407 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.091 13.876 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.163 14.701 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.991 13.045 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.058 13.559 -11.684 1.00 0.00 H new ATOM 1663 N ALA A 105 13.634 10.052 -16.272 1.00 0.00 N ATOM 1664 CA ALA A 105 13.825 8.627 -16.661 1.00 0.00 C ATOM 1665 C ALA A 105 15.292 8.241 -16.468 1.00 0.00 C ATOM 1666 O ALA A 105 15.952 7.790 -17.383 1.00 0.00 O ATOM 1667 CB ALA A 105 13.435 8.441 -18.129 1.00 0.00 C ATOM 0 H ALA A 105 12.808 10.240 -15.704 1.00 0.00 H new ATOM 0 HA ALA A 105 13.196 7.991 -16.037 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.575 7.398 -18.413 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.389 8.717 -18.266 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.062 9.075 -18.755 1.00 0.00 H new ATOM 1673 N THR A 106 15.807 8.420 -15.283 1.00 0.00 N ATOM 1674 CA THR A 106 17.230 8.066 -15.024 1.00 0.00 C ATOM 1675 C THR A 106 17.551 6.723 -15.680 1.00 0.00 C ATOM 1676 O THR A 106 18.567 6.564 -16.329 1.00 0.00 O ATOM 1677 CB THR A 106 17.459 7.963 -13.514 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.723 6.863 -13.000 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.996 9.254 -12.836 1.00 0.00 C ATOM 0 H THR A 106 15.302 8.797 -14.481 1.00 0.00 H new ATOM 0 HA THR A 106 17.879 8.836 -15.441 1.00 0.00 H new ATOM 0 HB THR A 106 18.520 7.814 -13.316 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.851 7.174 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.160 9.179 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.563 10.096 -13.232 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.935 9.407 -13.032 1.00 0.00 H new ATOM 1687 N GLY A 107 16.696 5.752 -15.516 1.00 0.00 N ATOM 1688 CA GLY A 107 16.952 4.418 -16.126 1.00 0.00 C ATOM 1689 C GLY A 107 17.327 3.427 -15.028 1.00 0.00 C ATOM 1690 O GLY A 107 17.274 2.227 -15.214 1.00 0.00 O ATOM 0 H GLY A 107 15.829 5.826 -14.984 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.066 4.072 -16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.756 4.488 -16.859 1.00 0.00 H new ATOM 1694 N TRP A 108 17.705 3.919 -13.881 1.00 0.00 N ATOM 1695 CA TRP A 108 18.082 3.005 -12.770 1.00 0.00 C ATOM 1696 C TRP A 108 17.006 1.934 -12.607 1.00 0.00 C ATOM 1697 O TRP A 108 15.827 2.200 -12.724 1.00 0.00 O ATOM 1698 CB TRP A 108 18.201 3.800 -11.470 1.00 0.00 C ATOM 1699 CG TRP A 108 18.918 2.979 -10.445 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.260 2.954 -10.275 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.363 2.067 -9.451 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.564 2.087 -9.243 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.430 1.516 -8.702 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.051 1.667 -9.126 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.207 0.603 -7.671 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.824 0.749 -8.089 1.00 0.00 C ATOM 1707 CH2 TRP A 108 17.900 0.218 -7.364 1.00 0.00 C ATOM 0 H TRP A 108 17.769 4.914 -13.666 1.00 0.00 H new ATOM 0 HA TRP A 108 19.038 2.534 -12.998 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.741 4.730 -11.648 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.210 4.071 -11.106 1.00 0.00 H new ATOM 0 HD1 TRP A 108 20.977 3.520 -10.852 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.512 1.893 -8.920 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.215 2.070 -9.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.039 0.197 -7.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.815 0.450 -7.848 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.718 -0.489 -6.568 1.00 0.00 H new ATOM 1718 N SER A 109 17.403 0.726 -12.332 1.00 0.00 N ATOM 1719 CA SER A 109 16.403 -0.361 -12.153 1.00 0.00 C ATOM 1720 C SER A 109 17.065 -1.545 -11.446 1.00 0.00 C ATOM 1721 O SER A 109 17.896 -2.231 -12.008 1.00 0.00 O ATOM 1722 CB SER A 109 15.872 -0.800 -13.516 1.00 0.00 C ATOM 1723 OG SER A 109 14.624 -0.165 -13.759 1.00 0.00 O ATOM 0 H SER A 109 18.377 0.443 -12.223 1.00 0.00 H new ATOM 0 HA SER A 109 15.572 0.002 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.585 -0.539 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.753 -1.883 -13.542 1.00 0.00 H new ATOM 0 HG SER A 109 14.280 -0.443 -14.634 1.00 0.00 H new ATOM 1729 N ALA A 110 16.709 -1.786 -10.215 1.00 0.00 N ATOM 1730 CA ALA A 110 17.322 -2.919 -9.467 1.00 0.00 C ATOM 1731 C ALA A 110 16.423 -4.151 -9.572 1.00 0.00 C ATOM 1732 O ALA A 110 15.238 -4.047 -9.813 1.00 0.00 O ATOM 1733 CB ALA A 110 17.483 -2.531 -7.997 1.00 0.00 C ATOM 0 H ALA A 110 16.018 -1.246 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 110 18.299 -3.147 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.931 -3.360 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.127 -1.655 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.506 -2.302 -7.572 1.00 0.00 H new ATOM 1739 N PHE A 111 16.978 -5.319 -9.389 1.00 0.00 N ATOM 1740 CA PHE A 111 16.153 -6.556 -9.477 1.00 0.00 C ATOM 1741 C PHE A 111 16.219 -7.313 -8.152 1.00 0.00 C ATOM 1742 O PHE A 111 17.270 -7.465 -7.563 1.00 0.00 O ATOM 1743 CB PHE A 111 16.684 -7.457 -10.594 1.00 0.00 C ATOM 1744 CG PHE A 111 16.797 -6.672 -11.876 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.723 -5.628 -11.976 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.981 -6.992 -12.966 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.834 -4.903 -13.167 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.092 -6.267 -14.158 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.019 -5.223 -14.258 1.00 0.00 C ATOM 0 H PHE A 111 17.966 -5.469 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 111 15.121 -6.278 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.658 -7.859 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.017 -8.307 -10.736 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.352 -5.382 -11.133 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.266 -7.798 -12.888 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.548 -4.097 -13.244 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.463 -6.513 -15.000 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.105 -4.664 -15.178 1.00 0.00 H new ATOM 1759 N TYR A 112 15.105 -7.799 -7.683 1.00 0.00 N ATOM 1760 CA TYR A 112 15.104 -8.554 -6.402 1.00 0.00 C ATOM 1761 C TYR A 112 15.430 -10.021 -6.680 1.00 0.00 C ATOM 1762 O TYR A 112 14.597 -10.772 -7.146 1.00 0.00 O ATOM 1763 CB TYR A 112 13.723 -8.456 -5.752 1.00 0.00 C ATOM 1764 CG TYR A 112 13.822 -8.850 -4.299 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.852 -8.332 -3.504 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.885 -9.729 -3.744 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.945 -8.694 -2.156 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.978 -10.092 -2.396 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.008 -9.573 -1.600 1.00 0.00 C ATOM 1770 OH TYR A 112 14.100 -9.931 -0.271 1.00 0.00 O ATOM 0 H TYR A 112 14.194 -7.705 -8.133 1.00 0.00 H new ATOM 0 HA TYR A 112 15.852 -8.133 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.340 -7.439 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.019 -9.107 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.575 -7.653 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.090 -10.127 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.740 -8.295 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.256 -10.772 -1.969 1.00 0.00 H new ATOM 0 HH TYR A 112 13.371 -10.547 -0.047 1.00 0.00 H new ATOM 1780 N VAL A 113 16.632 -10.443 -6.392 1.00 0.00 N ATOM 1781 CA VAL A 113 16.991 -11.860 -6.637 1.00 0.00 C ATOM 1782 C VAL A 113 16.660 -12.658 -5.375 1.00 0.00 C ATOM 1783 O VAL A 113 15.698 -12.370 -4.700 1.00 0.00 O ATOM 1784 CB VAL A 113 18.485 -11.970 -6.968 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.736 -13.260 -7.750 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.917 -10.777 -7.829 1.00 0.00 C ATOM 0 H VAL A 113 17.376 -9.866 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 113 16.429 -12.256 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 113 19.057 -11.977 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.797 -13.341 -7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.432 -14.116 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.158 -13.244 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.979 -10.861 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.343 -10.770 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.737 -9.851 -7.284 1.00 0.00 H new ATOM 1796 N ASP A 114 17.457 -13.624 -5.022 1.00 0.00 N ATOM 1797 CA ASP A 114 17.166 -14.403 -3.782 1.00 0.00 C ATOM 1798 C ASP A 114 17.393 -13.465 -2.619 1.00 0.00 C ATOM 1799 O ASP A 114 18.483 -13.380 -2.088 1.00 0.00 O ATOM 1800 CB ASP A 114 18.118 -15.598 -3.683 1.00 0.00 C ATOM 1801 CG ASP A 114 17.423 -16.851 -4.219 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.256 -17.034 -3.911 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.068 -17.606 -4.928 1.00 0.00 O ATOM 0 H ASP A 114 18.293 -13.909 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 114 16.145 -14.785 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.026 -15.401 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.419 -15.752 -2.647 1.00 0.00 H new ATOM 1808 N GLY A 115 16.399 -12.696 -2.258 1.00 0.00 N ATOM 1809 CA GLY A 115 16.621 -11.701 -1.182 1.00 0.00 C ATOM 1810 C GLY A 115 17.894 -10.960 -1.574 1.00 0.00 C ATOM 1811 O GLY A 115 18.639 -10.478 -0.743 1.00 0.00 O ATOM 0 H GLY A 115 15.460 -12.716 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.777 -11.016 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.732 -12.188 -0.213 1.00 0.00 H new ATOM 1815 N LYS A 116 18.167 -10.923 -2.862 1.00 0.00 N ATOM 1816 CA LYS A 116 19.418 -10.276 -3.340 1.00 0.00 C ATOM 1817 C LYS A 116 19.120 -9.174 -4.358 1.00 0.00 C ATOM 1818 O LYS A 116 19.280 -9.363 -5.546 1.00 0.00 O ATOM 1819 CB LYS A 116 20.302 -11.335 -4.001 1.00 0.00 C ATOM 1820 CG LYS A 116 21.500 -11.637 -3.098 1.00 0.00 C ATOM 1821 CD LYS A 116 21.013 -12.306 -1.811 1.00 0.00 C ATOM 1822 CE LYS A 116 22.171 -12.406 -0.816 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.705 -13.797 -0.816 1.00 0.00 N ATOM 0 H LYS A 116 17.574 -11.314 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 116 19.923 -9.828 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.728 -12.245 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.646 -10.982 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.204 -12.289 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.033 -10.716 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.195 -11.731 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.622 -13.299 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.959 -11.702 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.831 -12.135 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.492 -13.867 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.951 -14.458 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.044 -14.039 -1.769 1.00 0.00 H new ATOM 1837 N TRP A 117 18.714 -8.015 -3.915 1.00 0.00 N ATOM 1838 CA TRP A 117 18.446 -6.921 -4.888 1.00 0.00 C ATOM 1839 C TRP A 117 19.696 -6.711 -5.745 1.00 0.00 C ATOM 1840 O TRP A 117 20.794 -7.042 -5.345 1.00 0.00 O ATOM 1841 CB TRP A 117 18.119 -5.630 -4.139 1.00 0.00 C ATOM 1842 CG TRP A 117 16.661 -5.599 -3.820 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.139 -5.737 -2.581 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.532 -5.424 -4.726 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.761 -5.661 -2.665 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.338 -5.466 -3.966 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.424 -5.234 -6.118 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.084 -5.325 -4.564 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.166 -5.091 -6.719 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.999 -5.135 -5.944 1.00 0.00 C ATOM 0 H TRP A 117 18.558 -7.781 -2.934 1.00 0.00 H new ATOM 0 HA TRP A 117 17.599 -7.188 -5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.705 -5.570 -3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.388 -4.766 -4.746 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.706 -5.883 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.134 -5.739 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.316 -5.198 -6.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.187 -5.363 -3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.095 -4.946 -7.787 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.034 -5.022 -6.415 1.00 0.00 H new ATOM 1861 N VAL A 118 19.544 -6.171 -6.922 1.00 0.00 N ATOM 1862 CA VAL A 118 20.733 -5.951 -7.797 1.00 0.00 C ATOM 1863 C VAL A 118 20.577 -4.625 -8.544 1.00 0.00 C ATOM 1864 O VAL A 118 19.571 -3.955 -8.432 1.00 0.00 O ATOM 1865 CB VAL A 118 20.857 -7.097 -8.811 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.871 -8.120 -8.308 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.507 -7.787 -8.988 1.00 0.00 C ATOM 0 H VAL A 118 18.652 -5.873 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 118 21.631 -5.921 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 118 21.185 -6.686 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.957 -8.932 -9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.842 -7.640 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.540 -8.520 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.605 -8.598 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.176 -8.190 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.775 -7.066 -9.351 1.00 0.00 H new ATOM 1877 N GLU A 119 21.566 -4.241 -9.305 1.00 0.00 N ATOM 1878 CA GLU A 119 21.470 -2.959 -10.056 1.00 0.00 C ATOM 1879 C GLU A 119 21.665 -3.226 -11.550 1.00 0.00 C ATOM 1880 O GLU A 119 22.588 -3.904 -11.955 1.00 0.00 O ATOM 1881 CB GLU A 119 22.555 -1.998 -9.565 1.00 0.00 C ATOM 1882 CG GLU A 119 22.303 -1.650 -8.096 1.00 0.00 C ATOM 1883 CD GLU A 119 23.214 -2.501 -7.207 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.165 -3.058 -7.728 1.00 0.00 O ATOM 1885 OE2 GLU A 119 22.943 -2.578 -6.020 1.00 0.00 O ATOM 0 H GLU A 119 22.434 -4.759 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 119 20.488 -2.515 -9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.538 -2.455 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.553 -1.091 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.495 -0.591 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.258 -1.830 -7.842 1.00 0.00 H new ATOM 1892 N GLY A 120 20.800 -2.698 -12.373 1.00 0.00 N ATOM 1893 CA GLY A 120 20.935 -2.923 -13.841 1.00 0.00 C ATOM 1894 C GLY A 120 21.161 -1.583 -14.545 1.00 0.00 C ATOM 1895 O GLY A 120 21.607 -1.532 -15.674 1.00 0.00 O ATOM 0 H GLY A 120 20.007 -2.121 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.769 -3.596 -14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.037 -3.403 -14.230 1.00 0.00 H new