USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot -169:sc= 0.0169 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.0693 K(o=-0.052,f=-1.7) USER MOD Set 2.1: A 120 ASN : amide:sc= 0.109 X(o=0.89,f=0.43) USER MOD Set 2.2: A 124 GLN : amide:sc= 0.784 K(o=0.89,f=0.11) USER MOD Set 3.1: A 44 THR OG1 : rot -164:sc= 0.833 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 145:sc= 0.943 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot -160:sc= 0.803 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -162:sc= 0.934 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.459 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 2.56 (180deg=2.41) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 20 TYR OH : rot 15:sc= -0.0167 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.18) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 72:sc= 0.64 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.577 K(o=0.58,f=-0.72) USER MOD Single : A 76 GLN : amide:sc= 0.305 X(o=0.3,f=-0.14) USER MOD Single : A 77 TYR OH : rot 30:sc=-0.000952 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.814 K(o=-0.81,f=-2.7!) USER MOD Single : A 103 SER OG : rot -31:sc= 0.593 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -85:sc= 0.907 USER MOD Single : A 128 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.914 8.889 6.878 1.00 0.00 N ATOM 187 CA SER A 9 -12.919 7.860 6.566 1.00 0.00 C ATOM 188 C SER A 9 -12.220 6.537 6.256 1.00 0.00 C ATOM 189 O SER A 9 -11.522 6.427 5.254 1.00 0.00 O ATOM 190 CB SER A 9 -13.796 8.293 5.384 1.00 0.00 C ATOM 191 OG SER A 9 -14.928 9.010 5.852 1.00 0.00 O ATOM 0 HA SER A 9 -13.566 7.728 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.218 8.916 4.702 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.118 7.417 4.820 1.00 0.00 H new ATOM 0 HG SER A 9 -15.625 9.007 5.163 1.00 0.00 H new ATOM 197 N VAL A 10 -12.373 5.531 7.116 1.00 0.00 N ATOM 198 CA VAL A 10 -11.749 4.203 6.934 1.00 0.00 C ATOM 199 C VAL A 10 -12.321 3.443 5.723 1.00 0.00 C ATOM 200 O VAL A 10 -13.508 3.555 5.407 1.00 0.00 O ATOM 201 CB VAL A 10 -11.802 3.397 8.247 1.00 0.00 C ATOM 202 CG1 VAL A 10 -13.217 2.952 8.640 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.886 2.173 8.208 1.00 0.00 C ATOM 0 H VAL A 10 -12.934 5.605 7.965 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.696 4.353 6.694 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.448 4.092 9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.176 2.391 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.851 3.829 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.631 2.320 7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.956 1.636 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.192 1.516 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.857 2.494 8.048 1.00 0.00 H new ATOM 213 N LEU A 11 -11.466 2.668 5.044 1.00 0.00 N ATOM 214 CA LEU A 11 -11.774 1.920 3.814 1.00 0.00 C ATOM 215 C LEU A 11 -11.413 0.430 3.934 1.00 0.00 C ATOM 216 O LEU A 11 -12.210 -0.427 3.554 1.00 0.00 O ATOM 217 CB LEU A 11 -11.029 2.560 2.623 1.00 0.00 C ATOM 218 CG LEU A 11 -11.540 3.931 2.143 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.708 4.372 0.935 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.007 3.894 1.705 1.00 0.00 C ATOM 0 H LEU A 11 -10.501 2.538 5.347 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.850 1.974 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.979 2.665 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.073 1.867 1.783 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.449 4.620 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.060 5.342 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.660 4.449 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.811 3.639 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.314 4.887 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.124 3.188 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.629 3.581 2.543 1.00 0.00 H new ATOM 232 N CYS A 12 -10.238 0.117 4.492 1.00 0.00 N ATOM 233 CA CYS A 12 -9.788 -1.248 4.775 1.00 0.00 C ATOM 234 C CYS A 12 -8.816 -1.257 5.955 1.00 0.00 C ATOM 235 O CYS A 12 -7.885 -0.451 5.997 1.00 0.00 O ATOM 236 CB CYS A 12 -9.101 -1.831 3.532 1.00 0.00 C ATOM 237 SG CYS A 12 -8.634 -3.563 3.805 1.00 0.00 S ATOM 0 H CYS A 12 -9.557 0.825 4.766 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.654 -1.858 5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.771 -1.761 2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.214 -1.244 3.292 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.058 -4.030 2.738 1.00 0.00 H new ATOM 243 N VAL A 13 -8.998 -2.192 6.885 1.00 0.00 N ATOM 244 CA VAL A 13 -8.054 -2.471 7.975 1.00 0.00 C ATOM 245 C VAL A 13 -7.716 -3.960 7.982 1.00 0.00 C ATOM 246 O VAL A 13 -8.617 -4.801 8.022 1.00 0.00 O ATOM 247 CB VAL A 13 -8.613 -1.997 9.332 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.711 -2.379 10.516 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.765 -0.471 9.351 1.00 0.00 C ATOM 0 H VAL A 13 -9.823 -2.792 6.906 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.134 -1.910 7.808 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.577 -2.495 9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.156 -2.019 11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.608 -3.463 10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.728 -1.926 10.386 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.161 -0.157 10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.792 -0.006 9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.450 -0.164 8.561 1.00 0.00 H new ATOM 259 N LYS A 14 -6.417 -4.281 7.959 1.00 0.00 N ATOM 260 CA LYS A 14 -5.879 -5.650 8.084 1.00 0.00 C ATOM 261 C LYS A 14 -4.814 -5.704 9.194 1.00 0.00 C ATOM 262 O LYS A 14 -3.935 -4.839 9.212 1.00 0.00 O ATOM 263 CB LYS A 14 -5.319 -6.172 6.741 1.00 0.00 C ATOM 264 CG LYS A 14 -6.332 -6.207 5.581 1.00 0.00 C ATOM 265 CD LYS A 14 -7.448 -7.239 5.786 1.00 0.00 C ATOM 266 CE LYS A 14 -8.429 -7.217 4.613 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.479 -8.248 4.786 1.00 0.00 N ATOM 0 H LYS A 14 -5.686 -3.578 7.850 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.701 -6.311 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.476 -5.546 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.930 -7.179 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.777 -5.219 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.805 -6.430 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.015 -8.234 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.979 -7.028 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.889 -6.232 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.892 -7.391 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.216 -8.117 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.058 -9.193 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.901 -8.158 5.732 1.00 0.00 H new ATOM 281 N PRO A 15 -4.856 -6.692 10.109 1.00 0.00 N ATOM 282 CA PRO A 15 -3.984 -6.731 11.287 1.00 0.00 C ATOM 283 C PRO A 15 -2.540 -7.178 11.008 1.00 0.00 C ATOM 284 O PRO A 15 -1.674 -6.997 11.864 1.00 0.00 O ATOM 285 CB PRO A 15 -4.652 -7.718 12.244 1.00 0.00 C ATOM 286 CG PRO A 15 -5.377 -8.681 11.306 1.00 0.00 C ATOM 287 CD PRO A 15 -5.835 -7.770 10.173 1.00 0.00 C ATOM 0 HA PRO A 15 -3.882 -5.721 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.920 -8.235 12.864 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.345 -7.217 12.920 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.716 -9.471 10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.219 -9.168 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.881 -8.313 9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.834 -7.380 10.365 1.00 0.00 H new ATOM 295 N ASP A 16 -2.282 -7.785 9.846 1.00 0.00 N ATOM 296 CA ASP A 16 -0.984 -8.354 9.482 1.00 0.00 C ATOM 297 C ASP A 16 -0.584 -7.944 8.059 1.00 0.00 C ATOM 298 O ASP A 16 -1.137 -8.430 7.068 1.00 0.00 O ATOM 299 CB ASP A 16 -1.037 -9.879 9.640 1.00 0.00 C ATOM 300 CG ASP A 16 0.335 -10.525 9.381 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.311 -10.164 10.082 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.435 -11.409 8.498 1.00 0.00 O ATOM 0 H ASP A 16 -2.987 -7.896 9.117 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.217 -7.962 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.373 -10.129 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.770 -10.292 8.947 1.00 0.00 H new ATOM 307 N VAL A 17 0.388 -7.039 7.974 1.00 0.00 N ATOM 308 CA VAL A 17 1.027 -6.592 6.728 1.00 0.00 C ATOM 309 C VAL A 17 2.524 -6.354 6.956 1.00 0.00 C ATOM 310 O VAL A 17 2.942 -5.937 8.043 1.00 0.00 O ATOM 311 CB VAL A 17 0.293 -5.364 6.145 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.566 -4.057 6.897 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.629 -5.139 4.667 1.00 0.00 C ATOM 0 H VAL A 17 0.770 -6.577 8.799 1.00 0.00 H new ATOM 0 HA VAL A 17 0.946 -7.377 5.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.762 -5.612 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.014 -3.244 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.245 -4.160 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.633 -3.836 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.090 -4.265 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.701 -4.976 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.335 -6.015 4.089 1.00 0.00 H new ATOM 323 N SER A 18 3.335 -6.628 5.934 1.00 0.00 N ATOM 324 CA SER A 18 4.803 -6.630 6.025 1.00 0.00 C ATOM 325 C SER A 18 5.434 -5.760 4.942 1.00 0.00 C ATOM 326 O SER A 18 5.070 -5.893 3.775 1.00 0.00 O ATOM 327 CB SER A 18 5.340 -8.060 5.897 1.00 0.00 C ATOM 328 OG SER A 18 4.776 -8.912 6.883 1.00 0.00 O ATOM 0 H SER A 18 2.989 -6.859 5.003 1.00 0.00 H new ATOM 0 HA SER A 18 5.070 -6.219 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.113 -8.449 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.425 -8.054 5.996 1.00 0.00 H new ATOM 0 HG SER A 18 5.135 -9.818 6.777 1.00 0.00 H new ATOM 334 N VAL A 19 6.381 -4.894 5.320 1.00 0.00 N ATOM 335 CA VAL A 19 7.105 -3.975 4.423 1.00 0.00 C ATOM 336 C VAL A 19 8.468 -4.521 4.037 1.00 0.00 C ATOM 337 O VAL A 19 9.293 -4.843 4.892 1.00 0.00 O ATOM 338 CB VAL A 19 7.245 -2.564 5.028 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.130 -1.639 4.173 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.879 -1.884 5.141 1.00 0.00 C ATOM 0 H VAL A 19 6.678 -4.808 6.292 1.00 0.00 H new ATOM 0 HA VAL A 19 6.502 -3.893 3.518 1.00 0.00 H new ATOM 0 HB VAL A 19 7.703 -2.710 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.194 -0.659 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.129 -2.067 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.694 -1.535 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.002 -0.890 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.432 -1.799 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.229 -2.478 5.783 1.00 0.00 H new ATOM 350 N TYR A 20 8.735 -4.508 2.736 1.00 0.00 N ATOM 351 CA TYR A 20 10.035 -4.783 2.143 1.00 0.00 C ATOM 352 C TYR A 20 10.379 -3.690 1.128 1.00 0.00 C ATOM 353 O TYR A 20 9.584 -3.342 0.253 1.00 0.00 O ATOM 354 CB TYR A 20 10.090 -6.191 1.512 1.00 0.00 C ATOM 355 CG TYR A 20 8.918 -7.114 1.803 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.973 -8.022 2.878 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.766 -7.049 0.997 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.887 -8.881 3.133 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.673 -7.898 1.256 1.00 0.00 C ATOM 360 CZ TYR A 20 6.735 -8.822 2.321 1.00 0.00 C ATOM 361 OH TYR A 20 5.695 -9.669 2.553 1.00 0.00 O ATOM 0 H TYR A 20 8.021 -4.297 2.039 1.00 0.00 H new ATOM 0 HA TYR A 20 10.787 -4.772 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.173 -6.077 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 20 11.002 -6.681 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.850 -8.060 3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.720 -6.346 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.936 -9.585 3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.788 -7.842 0.640 1.00 0.00 H new ATOM 0 HH TYR A 20 5.797 -10.077 3.438 1.00 0.00 H new ATOM 371 N ARG A 21 11.597 -3.160 1.237 1.00 0.00 N ATOM 372 CA ARG A 21 12.211 -2.332 0.184 1.00 0.00 C ATOM 373 C ARG A 21 12.334 -3.129 -1.123 1.00 0.00 C ATOM 374 O ARG A 21 12.657 -4.319 -1.116 1.00 0.00 O ATOM 375 CB ARG A 21 13.585 -1.790 0.619 1.00 0.00 C ATOM 376 CG ARG A 21 13.558 -0.872 1.850 1.00 0.00 C ATOM 377 CD ARG A 21 12.723 0.408 1.664 1.00 0.00 C ATOM 378 NE ARG A 21 12.809 1.265 2.864 1.00 0.00 N ATOM 379 CZ ARG A 21 12.244 1.024 4.034 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.603 1.658 5.107 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.329 0.116 4.200 1.00 0.00 N ATOM 0 H ARG A 21 12.191 -3.289 2.056 1.00 0.00 H new ATOM 0 HA ARG A 21 11.558 -1.476 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.243 -2.634 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.024 -1.242 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.162 -1.431 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.581 -0.592 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.079 0.957 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.683 0.145 1.472 1.00 0.00 H new ATOM 0 HE ARG A 21 13.355 2.122 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.339 2.363 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.150 1.452 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.019 -0.446 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.921 -0.034 5.123 1.00 0.00 H new ATOM 395 N ILE A 22 12.069 -2.448 -2.235 1.00 0.00 N ATOM 396 CA ILE A 22 12.012 -3.017 -3.595 1.00 0.00 C ATOM 397 C ILE A 22 13.218 -2.604 -4.469 1.00 0.00 C ATOM 398 O ILE A 22 13.791 -1.532 -4.248 1.00 0.00 O ATOM 399 CB ILE A 22 10.672 -2.652 -4.280 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.534 -1.134 -4.538 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.488 -3.195 -3.465 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.219 -0.766 -5.223 1.00 0.00 C ATOM 0 H ILE A 22 11.880 -1.446 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 22 12.069 -4.100 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 22 10.665 -3.130 -5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.606 -0.601 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.367 -0.798 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.554 -2.930 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.564 -4.280 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.505 -2.761 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.179 0.312 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.156 -1.274 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.383 -1.074 -4.595 1.00 0.00 H new ATOM 532 N TYR A 31 7.476 -5.340 -11.141 1.00 0.00 N ATOM 533 CA TYR A 31 7.665 -5.953 -9.836 1.00 0.00 C ATOM 534 C TYR A 31 7.061 -7.361 -9.826 1.00 0.00 C ATOM 535 O TYR A 31 5.962 -7.559 -10.329 1.00 0.00 O ATOM 536 CB TYR A 31 6.984 -5.081 -8.783 1.00 0.00 C ATOM 537 CG TYR A 31 7.367 -3.614 -8.770 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.403 -2.669 -8.374 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.669 -3.190 -9.113 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.747 -1.311 -8.267 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.033 -1.845 -8.929 1.00 0.00 C ATOM 542 CZ TYR A 31 8.073 -0.896 -8.514 1.00 0.00 C ATOM 543 OH TYR A 31 8.420 0.411 -8.366 1.00 0.00 O ATOM 0 HA TYR A 31 8.729 -6.034 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.906 -5.151 -8.927 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.202 -5.499 -7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.396 -2.988 -8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.382 -3.895 -9.515 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.996 -0.584 -7.995 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.052 -1.536 -9.106 1.00 0.00 H new ATOM 0 HH TYR A 31 9.371 0.523 -8.575 1.00 0.00 H new ATOM 553 N ARG A 32 7.737 -8.342 -9.226 1.00 0.00 N ATOM 554 CA ARG A 32 7.343 -9.770 -9.272 1.00 0.00 C ATOM 555 C ARG A 32 7.251 -10.447 -7.913 1.00 0.00 C ATOM 556 O ARG A 32 7.271 -11.671 -7.841 1.00 0.00 O ATOM 557 CB ARG A 32 8.182 -10.570 -10.295 1.00 0.00 C ATOM 558 CG ARG A 32 9.708 -10.425 -10.181 1.00 0.00 C ATOM 559 CD ARG A 32 10.232 -9.209 -10.955 1.00 0.00 C ATOM 560 NE ARG A 32 11.695 -9.104 -10.862 1.00 0.00 N ATOM 561 CZ ARG A 32 12.447 -8.092 -11.252 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.729 -8.107 -11.031 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.951 -7.041 -11.843 1.00 0.00 N ATOM 0 H ARG A 32 8.586 -8.176 -8.685 1.00 0.00 H new ATOM 0 HA ARG A 32 6.315 -9.771 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.930 -11.626 -10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.883 -10.265 -11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.985 -10.333 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.187 -11.328 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.937 -9.287 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.775 -8.301 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 32 12.182 -9.900 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.155 -8.902 -10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.308 -7.324 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.948 -6.981 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.566 -6.279 -12.129 1.00 0.00 H new ATOM 577 N ALA A 33 7.126 -9.648 -6.854 1.00 0.00 N ATOM 578 CA ALA A 33 7.131 -10.026 -5.439 1.00 0.00 C ATOM 579 C ALA A 33 8.405 -10.757 -4.952 1.00 0.00 C ATOM 580 O ALA A 33 9.024 -10.341 -3.975 1.00 0.00 O ATOM 581 CB ALA A 33 5.834 -10.794 -5.176 1.00 0.00 C ATOM 0 H ALA A 33 7.010 -8.641 -6.971 1.00 0.00 H new ATOM 0 HA ALA A 33 7.166 -9.121 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.796 -11.096 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.980 -10.154 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.800 -11.680 -5.811 1.00 0.00 H new ATOM 587 N SER A 34 8.851 -11.803 -5.651 1.00 0.00 N ATOM 588 CA SER A 34 9.979 -12.669 -5.279 1.00 0.00 C ATOM 589 C SER A 34 11.356 -11.993 -5.341 1.00 0.00 C ATOM 590 O SER A 34 12.310 -12.496 -4.744 1.00 0.00 O ATOM 591 CB SER A 34 9.991 -13.921 -6.165 1.00 0.00 C ATOM 592 OG SER A 34 8.775 -14.640 -6.026 1.00 0.00 O ATOM 0 H SER A 34 8.419 -12.084 -6.531 1.00 0.00 H new ATOM 0 HA SER A 34 9.814 -12.925 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.134 -13.635 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.831 -14.559 -5.891 1.00 0.00 H new ATOM 0 HG SER A 34 8.798 -15.435 -6.599 1.00 0.00 H new ATOM 598 N ASP A 35 11.477 -10.848 -6.022 1.00 0.00 N ATOM 599 CA ASP A 35 12.699 -10.027 -6.015 1.00 0.00 C ATOM 600 C ASP A 35 12.790 -9.078 -4.800 1.00 0.00 C ATOM 601 O ASP A 35 13.824 -8.440 -4.591 1.00 0.00 O ATOM 602 CB ASP A 35 12.817 -9.257 -7.339 1.00 0.00 C ATOM 603 CG ASP A 35 13.404 -10.118 -8.465 1.00 0.00 C ATOM 604 OD1 ASP A 35 12.705 -11.019 -8.979 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.522 -9.815 -8.944 1.00 0.00 O ATOM 0 H ASP A 35 10.729 -10.461 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 35 13.545 -10.707 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.832 -8.897 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.446 -8.379 -7.191 1.00 0.00 H new ATOM 610 N TRP A 36 11.733 -8.977 -3.986 1.00 0.00 N ATOM 611 CA TRP A 36 11.701 -8.197 -2.755 1.00 0.00 C ATOM 612 C TRP A 36 12.252 -9.019 -1.578 1.00 0.00 C ATOM 613 O TRP A 36 12.406 -10.242 -1.653 1.00 0.00 O ATOM 614 CB TRP A 36 10.261 -7.732 -2.481 1.00 0.00 C ATOM 615 CG TRP A 36 9.492 -7.043 -3.577 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.964 -6.601 -4.769 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.079 -6.678 -3.555 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.951 -5.973 -5.472 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.780 -5.956 -4.748 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.021 -6.867 -2.637 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.521 -5.402 -4.991 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.746 -6.319 -2.874 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.500 -5.586 -4.046 1.00 0.00 C ATOM 0 H TRP A 36 10.851 -9.453 -4.177 1.00 0.00 H new ATOM 0 HA TRP A 36 12.337 -7.319 -2.868 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.686 -8.606 -2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.291 -7.056 -1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.979 -6.721 -5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.058 -5.575 -6.405 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.194 -7.441 -1.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.336 -4.840 -5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.955 -6.463 -2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.522 -5.162 -4.221 1.00 0.00 H new ATOM 634 N LYS A 37 12.509 -8.352 -0.452 1.00 0.00 N ATOM 635 CA LYS A 37 13.038 -8.953 0.791 1.00 0.00 C ATOM 636 C LYS A 37 11.982 -9.712 1.618 1.00 0.00 C ATOM 637 O LYS A 37 11.847 -9.505 2.823 1.00 0.00 O ATOM 638 CB LYS A 37 13.846 -7.897 1.578 1.00 0.00 C ATOM 639 CG LYS A 37 15.321 -7.946 1.161 1.00 0.00 C ATOM 640 CD LYS A 37 16.198 -7.069 2.061 1.00 0.00 C ATOM 641 CE LYS A 37 17.641 -7.576 1.971 1.00 0.00 C ATOM 642 NZ LYS A 37 18.574 -6.737 2.769 1.00 0.00 N ATOM 0 H LYS A 37 12.353 -7.347 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 37 13.731 -9.749 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.440 -6.903 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.756 -8.082 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.676 -8.976 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.417 -7.615 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.142 -6.027 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.845 -7.110 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.687 -8.606 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.959 -7.582 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.540 -7.113 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.550 -5.759 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.286 -6.751 3.768 1.00 0.00 H new ATOM 656 N LEU A 38 11.258 -10.638 0.983 1.00 0.00 N ATOM 657 CA LEU A 38 10.140 -11.382 1.587 1.00 0.00 C ATOM 658 C LEU A 38 10.510 -12.170 2.858 1.00 0.00 C ATOM 659 O LEU A 38 9.655 -12.367 3.722 1.00 0.00 O ATOM 660 CB LEU A 38 9.545 -12.354 0.552 1.00 0.00 C ATOM 661 CG LEU A 38 9.064 -11.718 -0.762 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.394 -12.797 -1.616 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.067 -10.583 -0.537 1.00 0.00 C ATOM 0 H LEU A 38 11.434 -10.900 0.013 1.00 0.00 H new ATOM 0 HA LEU A 38 9.415 -10.628 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.296 -13.108 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.704 -12.874 1.011 1.00 0.00 H new ATOM 0 HG LEU A 38 9.937 -11.296 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.048 -12.358 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.112 -13.589 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.544 -13.214 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.761 -10.171 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.192 -10.966 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.535 -9.801 0.061 1.00 0.00 H new ATOM 675 N ASP A 39 11.768 -12.609 2.991 1.00 0.00 N ATOM 676 CA ASP A 39 12.234 -13.392 4.147 1.00 0.00 C ATOM 677 C ASP A 39 12.781 -12.513 5.295 1.00 0.00 C ATOM 678 O ASP A 39 13.080 -13.021 6.378 1.00 0.00 O ATOM 679 CB ASP A 39 13.248 -14.441 3.660 1.00 0.00 C ATOM 680 CG ASP A 39 13.530 -15.536 4.706 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.570 -16.204 5.161 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.717 -15.781 5.033 1.00 0.00 O ATOM 0 H ASP A 39 12.495 -12.431 2.298 1.00 0.00 H new ATOM 0 HA ASP A 39 11.380 -13.905 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.873 -14.905 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.183 -13.943 3.403 1.00 0.00 H new ATOM 687 N GLN A 40 12.892 -11.195 5.079 1.00 0.00 N ATOM 688 CA GLN A 40 13.347 -10.221 6.084 1.00 0.00 C ATOM 689 C GLN A 40 12.712 -8.824 5.879 1.00 0.00 C ATOM 690 O GLN A 40 13.339 -7.941 5.282 1.00 0.00 O ATOM 691 CB GLN A 40 14.894 -10.174 6.151 1.00 0.00 C ATOM 692 CG GLN A 40 15.658 -10.055 4.815 1.00 0.00 C ATOM 693 CD GLN A 40 15.861 -11.389 4.095 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.345 -12.367 4.648 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.534 -11.478 2.822 1.00 0.00 N ATOM 0 H GLN A 40 12.663 -10.766 4.182 1.00 0.00 H new ATOM 0 HA GLN A 40 12.995 -10.562 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.179 -9.330 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.237 -11.077 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.115 -9.377 4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.632 -9.604 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.129 -10.674 2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.686 -12.351 2.316 1.00 0.00 H new ATOM 704 N PRO A 41 11.484 -8.586 6.387 1.00 0.00 N ATOM 705 CA PRO A 41 10.850 -7.267 6.369 1.00 0.00 C ATOM 706 C PRO A 41 11.699 -6.185 7.053 1.00 0.00 C ATOM 707 O PRO A 41 12.370 -6.436 8.058 1.00 0.00 O ATOM 708 CB PRO A 41 9.496 -7.423 7.080 1.00 0.00 C ATOM 709 CG PRO A 41 9.198 -8.916 6.945 1.00 0.00 C ATOM 710 CD PRO A 41 10.583 -9.558 6.988 1.00 0.00 C ATOM 0 HA PRO A 41 10.732 -6.933 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.553 -7.117 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.723 -6.814 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.564 -9.274 7.756 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.680 -9.140 6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.878 -9.785 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.596 -10.498 6.437 1.00 0.00 H new ATOM 718 N ASP A 42 11.610 -4.954 6.549 1.00 0.00 N ATOM 719 CA ASP A 42 12.096 -3.757 7.248 1.00 0.00 C ATOM 720 C ASP A 42 11.215 -3.431 8.471 1.00 0.00 C ATOM 721 O ASP A 42 11.709 -2.968 9.502 1.00 0.00 O ATOM 722 CB ASP A 42 12.099 -2.589 6.254 1.00 0.00 C ATOM 723 CG ASP A 42 12.502 -1.259 6.912 1.00 0.00 C ATOM 724 OD1 ASP A 42 11.663 -0.326 6.916 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.666 -1.125 7.356 1.00 0.00 O ATOM 0 H ASP A 42 11.196 -4.755 5.638 1.00 0.00 H new ATOM 0 HA ASP A 42 13.105 -3.934 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.788 -2.811 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.107 -2.487 5.814 1.00 0.00 H new ATOM 730 N TRP A 43 9.912 -3.709 8.356 1.00 0.00 N ATOM 731 CA TRP A 43 8.894 -3.489 9.387 1.00 0.00 C ATOM 732 C TRP A 43 7.684 -4.413 9.166 1.00 0.00 C ATOM 733 O TRP A 43 7.377 -4.784 8.030 1.00 0.00 O ATOM 734 CB TRP A 43 8.480 -2.010 9.335 1.00 0.00 C ATOM 735 CG TRP A 43 7.292 -1.607 10.151 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.314 -1.094 11.402 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.889 -1.622 9.750 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.027 -0.766 11.790 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.114 -1.031 10.791 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.200 -2.067 8.604 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.732 -0.830 10.667 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.813 -1.864 8.470 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.078 -1.243 9.495 1.00 0.00 C ATOM 0 H TRP A 43 9.522 -4.111 7.504 1.00 0.00 H new ATOM 0 HA TRP A 43 9.298 -3.726 10.371 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.331 -1.409 9.656 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.280 -1.751 8.295 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.200 -0.961 12.005 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.784 -0.377 12.701 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.743 -2.571 7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.176 -0.362 11.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.309 -2.188 7.571 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.016 -1.084 9.382 1.00 0.00 H new ATOM 754 N THR A 44 6.968 -4.751 10.242 1.00 0.00 N ATOM 755 CA THR A 44 5.649 -5.403 10.185 1.00 0.00 C ATOM 756 C THR A 44 4.645 -4.719 11.109 1.00 0.00 C ATOM 757 O THR A 44 5.006 -4.183 12.161 1.00 0.00 O ATOM 758 CB THR A 44 5.698 -6.901 10.519 1.00 0.00 C ATOM 759 OG1 THR A 44 6.181 -7.143 11.825 1.00 0.00 O ATOM 760 CG2 THR A 44 6.563 -7.692 9.549 1.00 0.00 C ATOM 0 H THR A 44 7.290 -4.578 11.194 1.00 0.00 H new ATOM 0 HA THR A 44 5.325 -5.301 9.149 1.00 0.00 H new ATOM 0 HB THR A 44 4.664 -7.236 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.435 -8.086 11.910 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.561 -8.744 9.834 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.165 -7.589 8.539 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.584 -7.311 9.578 1.00 0.00 H new ATOM 768 N GLY A 45 3.369 -4.761 10.734 1.00 0.00 N ATOM 769 CA GLY A 45 2.293 -4.119 11.490 1.00 0.00 C ATOM 770 C GLY A 45 0.925 -4.266 10.834 1.00 0.00 C ATOM 771 O GLY A 45 0.600 -5.324 10.294 1.00 0.00 O ATOM 0 H GLY A 45 3.049 -5.243 9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.256 -4.548 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.521 -3.059 11.605 1.00 0.00 H new ATOM 775 N ARG A 46 0.122 -3.201 10.904 1.00 0.00 N ATOM 776 CA ARG A 46 -1.266 -3.132 10.429 1.00 0.00 C ATOM 777 C ARG A 46 -1.401 -2.246 9.193 1.00 0.00 C ATOM 778 O ARG A 46 -0.760 -1.197 9.086 1.00 0.00 O ATOM 779 CB ARG A 46 -2.187 -2.603 11.542 1.00 0.00 C ATOM 780 CG ARG A 46 -2.113 -3.410 12.849 1.00 0.00 C ATOM 781 CD ARG A 46 -3.127 -2.913 13.888 1.00 0.00 C ATOM 782 NE ARG A 46 -2.746 -1.593 14.425 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.201 -0.404 14.080 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.663 0.652 14.596 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.145 -0.191 13.215 1.00 0.00 N ATOM 0 H ARG A 46 0.435 -2.320 11.313 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.564 -4.144 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.927 -1.565 11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.216 -2.608 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.298 -4.463 12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.107 -3.340 13.262 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.115 -2.851 13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.197 -3.633 14.704 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.038 -1.601 15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.896 0.560 15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.006 1.577 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.593 -0.978 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.438 0.763 13.005 1.00 0.00 H new ATOM 799 N LEU A 47 -2.304 -2.639 8.303 1.00 0.00 N ATOM 800 CA LEU A 47 -2.848 -1.795 7.241 1.00 0.00 C ATOM 801 C LEU A 47 -4.026 -0.986 7.796 1.00 0.00 C ATOM 802 O LEU A 47 -4.893 -1.556 8.460 1.00 0.00 O ATOM 803 CB LEU A 47 -3.325 -2.711 6.101 1.00 0.00 C ATOM 804 CG LEU A 47 -3.958 -1.975 4.905 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.905 -1.254 4.064 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.689 -2.989 4.035 1.00 0.00 C ATOM 0 H LEU A 47 -2.691 -3.583 8.298 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.092 -1.104 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.477 -3.295 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.052 -3.418 6.501 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.650 -1.226 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.390 -0.747 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.385 -0.521 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.187 -1.979 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.142 -2.479 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.982 -3.737 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.467 -3.478 4.621 1.00 0.00 H new ATOM 818 N ARG A 48 -4.112 0.300 7.447 1.00 0.00 N ATOM 819 CA ARG A 48 -5.317 1.123 7.613 1.00 0.00 C ATOM 820 C ARG A 48 -5.461 2.106 6.449 1.00 0.00 C ATOM 821 O ARG A 48 -4.986 3.240 6.485 1.00 0.00 O ATOM 822 CB ARG A 48 -5.304 1.780 9.006 1.00 0.00 C ATOM 823 CG ARG A 48 -6.523 2.687 9.240 1.00 0.00 C ATOM 824 CD ARG A 48 -6.851 2.823 10.733 1.00 0.00 C ATOM 825 NE ARG A 48 -7.794 3.927 10.974 1.00 0.00 N ATOM 826 CZ ARG A 48 -7.486 5.213 11.003 1.00 0.00 C ATOM 827 NH1 ARG A 48 -8.410 6.123 11.069 1.00 0.00 N ATOM 828 NH2 ARG A 48 -6.272 5.671 10.954 1.00 0.00 N ATOM 0 H ARG A 48 -3.332 0.810 7.033 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.213 0.503 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.281 1.003 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.392 2.366 9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.329 3.673 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.386 2.280 8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.278 1.890 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.933 2.996 11.295 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.771 3.679 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.393 5.851 11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.153 7.110 11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.485 5.025 10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.105 6.677 10.981 1.00 0.00 H new ATOM 842 N ILE A 49 -6.144 1.655 5.399 1.00 0.00 N ATOM 843 CA ILE A 49 -6.557 2.515 4.286 1.00 0.00 C ATOM 844 C ILE A 49 -7.675 3.430 4.779 1.00 0.00 C ATOM 845 O ILE A 49 -8.662 2.979 5.366 1.00 0.00 O ATOM 846 CB ILE A 49 -6.998 1.729 3.034 1.00 0.00 C ATOM 847 CG1 ILE A 49 -5.999 0.610 2.687 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.167 2.700 1.848 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.379 -0.154 1.419 1.00 0.00 C ATOM 0 H ILE A 49 -6.428 0.681 5.293 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.693 3.098 3.968 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.954 1.251 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.006 1.042 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.939 -0.088 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.479 2.144 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.924 3.445 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.218 3.198 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.638 -0.930 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.359 -0.613 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.412 0.535 0.575 1.00 0.00 H new ATOM 861 N THR A 50 -7.509 4.717 4.515 1.00 0.00 N ATOM 862 CA THR A 50 -8.417 5.810 4.863 1.00 0.00 C ATOM 863 C THR A 50 -8.639 6.723 3.651 1.00 0.00 C ATOM 864 O THR A 50 -8.026 6.527 2.604 1.00 0.00 O ATOM 865 CB THR A 50 -7.872 6.588 6.078 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.468 6.714 6.083 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.271 5.931 7.399 1.00 0.00 C ATOM 0 H THR A 50 -6.683 5.052 4.019 1.00 0.00 H new ATOM 0 HA THR A 50 -9.386 5.398 5.144 1.00 0.00 H new ATOM 0 HB THR A 50 -8.319 7.578 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.188 7.217 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.867 6.510 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.358 5.897 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.873 4.917 7.436 1.00 0.00 H new ATOM 875 N SER A 51 -9.536 7.703 3.740 1.00 0.00 N ATOM 876 CA SER A 51 -9.824 8.672 2.675 1.00 0.00 C ATOM 877 C SER A 51 -10.545 9.902 3.212 1.00 0.00 C ATOM 878 O SER A 51 -11.036 9.896 4.341 1.00 0.00 O ATOM 879 CB SER A 51 -10.686 8.023 1.585 1.00 0.00 C ATOM 880 OG SER A 51 -11.951 7.624 2.082 1.00 0.00 O ATOM 0 H SER A 51 -10.100 7.852 4.577 1.00 0.00 H new ATOM 0 HA SER A 51 -8.868 8.986 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.824 8.726 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.165 7.156 1.178 1.00 0.00 H new ATOM 0 HG SER A 51 -12.402 7.064 1.416 1.00 0.00 H new ATOM 886 N LYS A 52 -10.605 10.950 2.387 1.00 0.00 N ATOM 887 CA LYS A 52 -11.644 11.987 2.395 1.00 0.00 C ATOM 888 C LYS A 52 -11.800 12.604 0.991 1.00 0.00 C ATOM 889 O LYS A 52 -12.172 11.893 0.055 1.00 0.00 O ATOM 890 CB LYS A 52 -11.440 12.979 3.563 1.00 0.00 C ATOM 891 CG LYS A 52 -12.202 12.694 4.868 1.00 0.00 C ATOM 892 CD LYS A 52 -13.667 12.260 4.768 1.00 0.00 C ATOM 893 CE LYS A 52 -14.187 12.203 6.204 1.00 0.00 C ATOM 894 NZ LYS A 52 -15.598 11.750 6.260 1.00 0.00 N ATOM 0 H LYS A 52 -9.902 11.107 1.664 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.617 11.545 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.375 13.014 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.724 13.973 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.660 11.917 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.162 13.595 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.244 12.967 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.754 11.288 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.564 11.527 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.103 13.189 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.009 12.008 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.140 12.207 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.636 10.718 6.141 1.00 0.00 H new ATOM 908 N GLY A 53 -11.543 13.902 0.827 1.00 0.00 N ATOM 909 CA GLY A 53 -12.001 14.731 -0.299 1.00 0.00 C ATOM 910 C GLY A 53 -11.312 14.406 -1.625 1.00 0.00 C ATOM 911 O GLY A 53 -10.243 14.945 -1.917 1.00 0.00 O ATOM 0 H GLY A 53 -10.988 14.430 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.077 14.603 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.830 15.780 -0.059 1.00 0.00 H new ATOM 915 N LYS A 54 -11.921 13.503 -2.408 1.00 0.00 N ATOM 916 CA LYS A 54 -11.403 12.951 -3.681 1.00 0.00 C ATOM 917 C LYS A 54 -9.968 12.416 -3.561 1.00 0.00 C ATOM 918 O LYS A 54 -9.208 12.413 -4.531 1.00 0.00 O ATOM 919 CB LYS A 54 -11.593 13.954 -4.837 1.00 0.00 C ATOM 920 CG LYS A 54 -13.065 14.341 -5.042 1.00 0.00 C ATOM 921 CD LYS A 54 -13.227 15.350 -6.185 1.00 0.00 C ATOM 922 CE LYS A 54 -14.706 15.733 -6.317 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.919 16.734 -7.396 1.00 0.00 N ATOM 0 H LYS A 54 -12.832 13.115 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.002 12.074 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.009 14.852 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.203 13.521 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.650 13.447 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.462 14.767 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.626 16.238 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.866 14.920 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.296 14.841 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.064 16.137 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.930 16.969 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.375 17.595 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.601 16.339 -8.304 1.00 0.00 H new ATOM 937 N THR A 55 -9.598 11.977 -2.356 1.00 0.00 N ATOM 938 CA THR A 55 -8.247 11.556 -1.990 1.00 0.00 C ATOM 939 C THR A 55 -8.331 10.377 -1.026 1.00 0.00 C ATOM 940 O THR A 55 -9.022 10.458 -0.007 1.00 0.00 O ATOM 941 CB THR A 55 -7.467 12.714 -1.335 1.00 0.00 C ATOM 942 OG1 THR A 55 -7.508 13.888 -2.121 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.991 12.370 -1.174 1.00 0.00 C ATOM 0 H THR A 55 -10.257 11.903 -1.581 1.00 0.00 H new ATOM 0 HA THR A 55 -7.716 11.258 -2.894 1.00 0.00 H new ATOM 0 HB THR A 55 -7.946 12.875 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.407 14.276 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.471 13.208 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.890 11.486 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.555 12.170 -2.153 1.00 0.00 H new ATOM 951 N ALA A 56 -7.626 9.291 -1.338 1.00 0.00 N ATOM 952 CA ALA A 56 -7.414 8.153 -0.445 1.00 0.00 C ATOM 953 C ALA A 56 -6.020 8.225 0.200 1.00 0.00 C ATOM 954 O ALA A 56 -5.138 8.930 -0.282 1.00 0.00 O ATOM 955 CB ALA A 56 -7.659 6.843 -1.203 1.00 0.00 C ATOM 0 H ALA A 56 -7.174 9.175 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.133 8.188 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.499 5.999 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.684 6.823 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.968 6.774 -2.043 1.00 0.00 H new ATOM 961 N TYR A 57 -5.827 7.496 1.293 1.00 0.00 N ATOM 962 CA TYR A 57 -4.641 7.515 2.142 1.00 0.00 C ATOM 963 C TYR A 57 -4.333 6.078 2.601 1.00 0.00 C ATOM 964 O TYR A 57 -4.984 5.557 3.507 1.00 0.00 O ATOM 965 CB TYR A 57 -4.903 8.448 3.347 1.00 0.00 C ATOM 966 CG TYR A 57 -5.365 9.866 3.029 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.466 10.784 2.454 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.683 10.282 3.329 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.881 12.098 2.156 1.00 0.00 C ATOM 970 CE2 TYR A 57 -7.109 11.586 3.013 1.00 0.00 C ATOM 971 CZ TYR A 57 -6.210 12.498 2.426 1.00 0.00 C ATOM 972 OH TYR A 57 -6.630 13.759 2.135 1.00 0.00 O ATOM 0 H TYR A 57 -6.532 6.840 1.629 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.777 7.894 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.655 7.980 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.986 8.512 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.452 10.480 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.367 9.595 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.184 12.799 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.125 11.887 3.221 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.572 13.856 2.387 1.00 0.00 H new ATOM 982 N ILE A 58 -3.345 5.406 2.002 1.00 0.00 N ATOM 983 CA ILE A 58 -2.860 4.116 2.520 1.00 0.00 C ATOM 984 C ILE A 58 -1.947 4.426 3.704 1.00 0.00 C ATOM 985 O ILE A 58 -0.781 4.777 3.505 1.00 0.00 O ATOM 986 CB ILE A 58 -2.153 3.248 1.446 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.062 2.810 0.276 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.601 1.959 2.090 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.287 3.892 -0.781 1.00 0.00 C ATOM 0 H ILE A 58 -2.865 5.729 1.162 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.708 3.508 2.835 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.368 3.888 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.622 1.935 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.028 2.502 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.106 1.355 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.885 2.219 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.422 1.390 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.935 3.504 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.757 4.760 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.329 4.184 -1.212 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.472 4.333 4.932 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.668 4.467 6.157 1.00 0.00 C ATOM 1003 C LYS A 59 -1.277 3.099 6.727 1.00 0.00 C ATOM 1004 O LYS A 59 -2.078 2.165 6.759 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.367 5.387 7.174 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.780 6.718 6.519 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.973 7.856 7.527 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.483 9.101 6.791 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.596 10.267 7.702 1.00 0.00 N ATOM 0 H LYS A 59 -3.463 4.163 5.106 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.726 4.954 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.248 4.887 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.699 5.582 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.020 7.009 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.708 6.570 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.684 7.558 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.031 8.076 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.806 9.343 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.456 8.889 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.944 11.091 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.261 10.045 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.662 10.484 8.105 1.00 0.00 H new ATOM 1023 N LEU A 60 -0.028 2.988 7.169 1.00 0.00 N ATOM 1024 CA LEU A 60 0.545 1.831 7.864 1.00 0.00 C ATOM 1025 C LEU A 60 0.784 2.183 9.335 1.00 0.00 C ATOM 1026 O LEU A 60 1.339 3.239 9.640 1.00 0.00 O ATOM 1027 CB LEU A 60 1.850 1.409 7.163 1.00 0.00 C ATOM 1028 CG LEU A 60 1.691 0.248 6.172 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.669 0.504 5.062 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.038 -0.018 5.505 1.00 0.00 C ATOM 0 H LEU A 60 0.650 3.740 7.048 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.147 0.990 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.258 2.270 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.580 1.126 7.921 1.00 0.00 H new ATOM 0 HG LEU A 60 1.331 -0.599 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.619 -0.365 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.311 0.682 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.971 1.377 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.938 -0.842 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.365 0.877 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.775 -0.280 6.265 1.00 0.00 H new ATOM 1042 N GLU A 61 0.372 1.306 10.247 1.00 0.00 N ATOM 1043 CA GLU A 61 0.312 1.589 11.687 1.00 0.00 C ATOM 1044 C GLU A 61 0.815 0.418 12.538 1.00 0.00 C ATOM 1045 O GLU A 61 0.716 -0.746 12.149 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.124 1.918 12.106 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.798 3.098 11.393 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.232 3.343 11.910 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.871 4.319 11.448 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.738 2.557 12.755 1.00 0.00 O ATOM 0 H GLU A 61 0.065 0.363 10.007 1.00 0.00 H new ATOM 0 HA GLU A 61 0.966 2.443 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.736 1.030 11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.128 2.121 13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.201 3.998 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.827 2.905 10.321 1.00 0.00 H new ATOM 1057 N ASP A 62 1.344 0.704 13.726 1.00 0.00 N ATOM 1058 CA ASP A 62 1.915 -0.300 14.611 1.00 0.00 C ATOM 1059 C ASP A 62 0.832 -1.155 15.291 1.00 0.00 C ATOM 1060 O ASP A 62 -0.244 -0.672 15.665 1.00 0.00 O ATOM 1061 CB ASP A 62 2.808 0.405 15.630 1.00 0.00 C ATOM 1062 CG ASP A 62 3.761 -0.579 16.306 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.319 -1.204 17.292 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.907 -0.751 15.830 1.00 0.00 O ATOM 0 H ASP A 62 1.387 1.651 14.102 1.00 0.00 H new ATOM 0 HA ASP A 62 2.514 -0.997 14.025 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.382 1.188 15.134 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.189 0.892 16.384 1.00 0.00 H new ATOM 1069 N LYS A 63 1.145 -2.439 15.471 1.00 0.00 N ATOM 1070 CA LYS A 63 0.284 -3.472 16.071 1.00 0.00 C ATOM 1071 C LYS A 63 0.310 -3.532 17.601 1.00 0.00 C ATOM 1072 O LYS A 63 -0.493 -4.254 18.194 1.00 0.00 O ATOM 1073 CB LYS A 63 0.593 -4.840 15.423 1.00 0.00 C ATOM 1074 CG LYS A 63 2.100 -5.153 15.376 1.00 0.00 C ATOM 1075 CD LYS A 63 2.392 -6.551 14.820 1.00 0.00 C ATOM 1076 CE LYS A 63 3.865 -6.623 14.399 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.204 -7.926 13.774 1.00 0.00 N ATOM 0 H LYS A 63 2.052 -2.811 15.189 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.744 -3.186 15.850 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.081 -5.624 15.980 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.192 -4.855 14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.603 -4.408 14.760 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.516 -5.071 16.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.179 -7.308 15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.746 -6.760 13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.081 -5.818 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.499 -6.464 15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.907 -7.778 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.597 -8.565 14.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.346 -8.350 13.367 1.00 0.00 H new ATOM 1091 N VAL A 64 1.188 -2.758 18.236 1.00 0.00 N ATOM 1092 CA VAL A 64 1.340 -2.666 19.693 1.00 0.00 C ATOM 1093 C VAL A 64 1.176 -1.226 20.182 1.00 0.00 C ATOM 1094 O VAL A 64 0.463 -0.995 21.161 1.00 0.00 O ATOM 1095 CB VAL A 64 2.709 -3.239 20.110 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.991 -3.080 21.610 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.816 -4.733 19.775 1.00 0.00 C ATOM 0 H VAL A 64 1.839 -2.154 17.734 1.00 0.00 H new ATOM 0 HA VAL A 64 0.552 -3.256 20.161 1.00 0.00 H new ATOM 0 HB VAL A 64 3.442 -2.663 19.545 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.969 -3.502 21.843 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.980 -2.022 21.872 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.224 -3.603 22.182 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.793 -5.106 20.082 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.036 -5.281 20.304 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.695 -4.875 18.701 1.00 0.00 H new ATOM 1107 N SER A 65 1.787 -0.252 19.500 1.00 0.00 N ATOM 1108 CA SER A 65 1.793 1.153 19.943 1.00 0.00 C ATOM 1109 C SER A 65 0.664 1.984 19.329 1.00 0.00 C ATOM 1110 O SER A 65 0.286 3.017 19.884 1.00 0.00 O ATOM 1111 CB SER A 65 3.146 1.800 19.629 1.00 0.00 C ATOM 1112 OG SER A 65 4.190 1.153 20.344 1.00 0.00 O ATOM 0 H SER A 65 2.291 -0.411 18.627 1.00 0.00 H new ATOM 0 HA SER A 65 1.625 1.139 21.020 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.342 1.743 18.558 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.119 2.857 19.892 1.00 0.00 H new ATOM 0 HG SER A 65 5.046 1.579 20.129 1.00 0.00 H new ATOM 1118 N GLY A 66 0.126 1.555 18.179 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.921 2.278 17.442 1.00 0.00 C ATOM 1120 C GLY A 66 -0.400 3.485 16.650 1.00 0.00 C ATOM 1121 O GLY A 66 -1.186 4.258 16.103 1.00 0.00 O ATOM 0 H GLY A 66 0.409 0.685 17.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.411 1.588 16.755 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.680 2.618 18.147 1.00 0.00 H new ATOM 1125 N GLU A 67 0.923 3.659 16.598 1.00 0.00 N ATOM 1126 CA GLU A 67 1.604 4.797 15.979 1.00 0.00 C ATOM 1127 C GLU A 67 1.753 4.635 14.458 1.00 0.00 C ATOM 1128 O GLU A 67 1.767 3.517 13.941 1.00 0.00 O ATOM 1129 CB GLU A 67 2.947 5.031 16.694 1.00 0.00 C ATOM 1130 CG GLU A 67 4.027 3.981 16.400 1.00 0.00 C ATOM 1131 CD GLU A 67 5.322 4.300 17.172 1.00 0.00 C ATOM 1132 OE1 GLU A 67 5.485 3.818 18.320 1.00 0.00 O ATOM 1133 OE2 GLU A 67 6.187 5.040 16.641 1.00 0.00 O ATOM 0 H GLU A 67 1.573 2.985 17.002 1.00 0.00 H new ATOM 0 HA GLU A 67 0.989 5.688 16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.327 6.012 16.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.770 5.058 17.769 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.665 2.992 16.680 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.233 3.954 15.330 1.00 0.00 H new ATOM 1140 N LEU A 68 1.883 5.747 13.732 1.00 0.00 N ATOM 1141 CA LEU A 68 2.058 5.747 12.276 1.00 0.00 C ATOM 1142 C LEU A 68 3.485 5.310 11.885 1.00 0.00 C ATOM 1143 O LEU A 68 4.467 5.885 12.360 1.00 0.00 O ATOM 1144 CB LEU A 68 1.722 7.152 11.736 1.00 0.00 C ATOM 1145 CG LEU A 68 1.669 7.239 10.198 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.398 6.598 9.641 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.685 8.699 9.746 1.00 0.00 C ATOM 0 H LEU A 68 1.870 6.682 14.140 1.00 0.00 H new ATOM 0 HA LEU A 68 1.379 5.022 11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.759 7.464 12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.466 7.858 12.104 1.00 0.00 H new ATOM 0 HG LEU A 68 2.543 6.706 9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.396 6.679 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.365 5.547 9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.475 7.111 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.647 8.743 8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.821 9.218 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.599 9.179 10.097 1.00 0.00 H new ATOM 1159 N PHE A 69 3.596 4.340 10.974 1.00 0.00 N ATOM 1160 CA PHE A 69 4.855 3.961 10.320 1.00 0.00 C ATOM 1161 C PHE A 69 5.099 4.802 9.056 1.00 0.00 C ATOM 1162 O PHE A 69 6.135 5.458 8.935 1.00 0.00 O ATOM 1163 CB PHE A 69 4.844 2.456 10.005 1.00 0.00 C ATOM 1164 CG PHE A 69 5.987 2.008 9.110 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.756 1.727 7.747 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.294 1.922 9.624 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.830 1.387 6.905 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.364 1.560 8.785 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.132 1.295 7.424 1.00 0.00 C ATOM 0 H PHE A 69 2.799 3.784 10.663 1.00 0.00 H new ATOM 0 HA PHE A 69 5.681 4.164 11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.887 1.898 10.940 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.899 2.202 9.526 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.753 1.773 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.477 2.135 10.667 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.653 1.196 5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.364 1.486 9.187 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.953 1.021 6.779 1.00 0.00 H new ATOM 1179 N ALA A 70 4.133 4.801 8.130 1.00 0.00 N ATOM 1180 CA ALA A 70 4.195 5.515 6.854 1.00 0.00 C ATOM 1181 C ALA A 70 2.785 5.801 6.303 1.00 0.00 C ATOM 1182 O ALA A 70 1.816 5.148 6.695 1.00 0.00 O ATOM 1183 CB ALA A 70 5.008 4.670 5.863 1.00 0.00 C ATOM 0 H ALA A 70 3.261 4.287 8.254 1.00 0.00 H new ATOM 0 HA ALA A 70 4.679 6.480 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.065 5.187 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.014 4.519 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.523 3.704 5.725 1.00 0.00 H new ATOM 1189 N GLN A 71 2.667 6.755 5.374 1.00 0.00 N ATOM 1190 CA GLN A 71 1.404 7.089 4.703 1.00 0.00 C ATOM 1191 C GLN A 71 1.604 7.480 3.231 1.00 0.00 C ATOM 1192 O GLN A 71 2.569 8.172 2.901 1.00 0.00 O ATOM 1193 CB GLN A 71 0.641 8.160 5.508 1.00 0.00 C ATOM 1194 CG GLN A 71 1.361 9.508 5.709 1.00 0.00 C ATOM 1195 CD GLN A 71 1.154 10.492 4.560 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.043 10.749 4.117 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.198 11.103 4.049 1.00 0.00 N ATOM 0 H GLN A 71 3.454 7.324 5.062 1.00 0.00 H new ATOM 0 HA GLN A 71 0.787 6.191 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.309 8.351 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.407 7.748 6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.008 9.964 6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.429 9.325 5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.132 10.901 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.075 11.779 3.295 1.00 0.00 H new ATOM 1206 N ALA A 72 0.690 7.041 2.363 1.00 0.00 N ATOM 1207 CA ALA A 72 0.686 7.290 0.918 1.00 0.00 C ATOM 1208 C ALA A 72 -0.674 7.865 0.454 1.00 0.00 C ATOM 1209 O ALA A 72 -1.641 7.104 0.326 1.00 0.00 O ATOM 1210 CB ALA A 72 1.016 5.968 0.205 1.00 0.00 C ATOM 0 H ALA A 72 -0.105 6.476 2.661 1.00 0.00 H new ATOM 0 HA ALA A 72 1.438 8.038 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.019 6.127 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.998 5.618 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.265 5.220 0.459 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.784 9.185 0.198 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.953 9.800 -0.428 1.00 0.00 C ATOM 1218 C PRO A 73 -2.099 9.411 -1.905 1.00 0.00 C ATOM 1219 O PRO A 73 -1.107 9.252 -2.618 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.781 11.318 -0.280 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.750 11.455 0.838 1.00 0.00 C ATOM 1222 CD PRO A 73 0.131 10.233 0.607 1.00 0.00 C ATOM 0 HA PRO A 73 -2.863 9.449 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.431 11.774 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.721 11.805 -0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.186 12.385 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.214 11.443 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.880 10.425 -0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.669 9.956 1.514 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.341 9.310 -2.377 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.713 8.890 -3.736 1.00 0.00 C ATOM 1232 C VAL A 74 -4.843 9.785 -4.246 1.00 0.00 C ATOM 1233 O VAL A 74 -5.879 9.881 -3.593 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.180 7.415 -3.750 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.301 6.890 -5.183 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.263 6.461 -2.980 1.00 0.00 C ATOM 0 H VAL A 74 -4.154 9.527 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.839 8.981 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.149 7.430 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.631 5.851 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.027 7.491 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.331 6.953 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.660 5.448 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.264 6.485 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.210 6.770 -1.936 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.680 10.429 -5.406 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.712 11.325 -5.978 1.00 0.00 C ATOM 1248 C GLU A 75 -6.676 10.604 -6.941 1.00 0.00 C ATOM 1249 O GLU A 75 -7.799 11.058 -7.162 1.00 0.00 O ATOM 1250 CB GLU A 75 -5.036 12.511 -6.684 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.274 13.419 -5.709 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.681 14.637 -6.442 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.355 15.693 -6.524 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.530 14.552 -6.938 1.00 0.00 O ATOM 0 H GLU A 75 -3.839 10.351 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.320 11.683 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.346 12.135 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.792 13.098 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.945 13.756 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.475 12.854 -5.229 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.242 9.472 -7.502 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.048 8.505 -8.255 1.00 0.00 C ATOM 1263 C GLN A 76 -6.326 7.148 -8.292 1.00 0.00 C ATOM 1264 O GLN A 76 -5.093 7.112 -8.335 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.374 9.013 -9.679 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.232 9.024 -10.714 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.067 9.950 -10.370 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.035 11.120 -10.729 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.060 9.465 -9.673 1.00 0.00 N ATOM 0 H GLN A 76 -5.264 9.189 -7.440 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.003 8.381 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.182 8.399 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.758 10.029 -9.593 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.851 8.009 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.639 9.319 -11.681 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.073 8.492 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.267 10.062 -9.439 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.075 6.046 -8.305 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.548 4.681 -8.356 1.00 0.00 C ATOM 1280 C TYR A 77 -7.133 3.907 -9.559 1.00 0.00 C ATOM 1281 O TYR A 77 -8.363 3.859 -9.685 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.846 3.972 -7.029 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.341 2.545 -6.987 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -4.958 2.291 -7.008 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.254 1.476 -6.993 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.490 0.966 -7.082 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.788 0.149 -7.023 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.403 -0.110 -7.080 1.00 0.00 C ATOM 1289 OH TYR A 77 -4.950 -1.391 -7.148 1.00 0.00 O ATOM 0 H TYR A 77 -8.094 6.078 -8.280 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.468 4.717 -8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.392 4.535 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.922 3.975 -6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.257 3.111 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.316 1.674 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.429 0.772 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.491 -0.671 -7.002 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.066 -1.448 -6.729 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.308 3.283 -10.429 1.00 0.00 N ATOM 1300 CA PRO A 78 -4.839 3.304 -10.445 1.00 0.00 C ATOM 1301 C PRO A 78 -4.221 4.702 -10.644 1.00 0.00 C ATOM 1302 O PRO A 78 -4.784 5.555 -11.332 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.416 2.349 -11.569 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.611 1.407 -11.701 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.785 2.345 -11.435 1.00 0.00 C ATOM 0 HA PRO A 78 -4.468 2.994 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.221 2.884 -12.499 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.504 1.808 -11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.666 0.955 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.569 0.591 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.087 2.864 -12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.655 1.794 -11.078 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.055 4.924 -10.034 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.294 6.181 -10.079 1.00 0.00 C ATOM 1315 C GLY A 79 -0.814 6.012 -9.709 1.00 0.00 C ATOM 1316 O GLY A 79 -0.303 4.893 -9.637 1.00 0.00 O ATOM 0 H GLY A 79 -2.595 4.208 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.364 6.604 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.751 6.898 -9.398 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.112 7.122 -9.455 1.00 0.00 N ATOM 1321 CA ILE A 80 1.345 7.135 -9.191 1.00 0.00 C ATOM 1322 C ILE A 80 1.727 6.526 -7.830 1.00 0.00 C ATOM 1323 O ILE A 80 2.797 5.936 -7.684 1.00 0.00 O ATOM 1324 CB ILE A 80 1.891 8.577 -9.350 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.418 8.705 -9.142 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.205 9.580 -8.399 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.263 7.866 -10.105 1.00 0.00 C ATOM 0 H ILE A 80 -0.536 8.049 -9.425 1.00 0.00 H new ATOM 0 HA ILE A 80 1.816 6.489 -9.932 1.00 0.00 H new ATOM 0 HB ILE A 80 1.659 8.817 -10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.700 9.752 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.658 8.414 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.626 10.574 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.135 9.603 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.369 9.273 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.320 8.017 -9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.014 6.812 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.057 8.171 -11.131 1.00 0.00 H new ATOM 1339 N ALA A 81 0.856 6.648 -6.829 1.00 0.00 N ATOM 1340 CA ALA A 81 1.144 6.295 -5.439 1.00 0.00 C ATOM 1341 C ALA A 81 0.841 4.832 -5.079 1.00 0.00 C ATOM 1342 O ALA A 81 1.005 4.465 -3.918 1.00 0.00 O ATOM 1343 CB ALA A 81 0.409 7.302 -4.550 1.00 0.00 C ATOM 0 H ALA A 81 -0.091 7.003 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 81 2.219 6.360 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.601 7.070 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.764 8.309 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.662 7.245 -4.744 1.00 0.00 H new ATOM 1349 N VAL A 82 0.423 3.998 -6.039 1.00 0.00 N ATOM 1350 CA VAL A 82 0.043 2.588 -5.826 1.00 0.00 C ATOM 1351 C VAL A 82 0.323 1.750 -7.084 1.00 0.00 C ATOM 1352 O VAL A 82 -0.068 2.135 -8.184 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.453 2.441 -5.464 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.762 1.016 -4.977 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.983 3.412 -4.400 1.00 0.00 C ATOM 0 H VAL A 82 0.336 4.289 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 82 0.647 2.228 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.960 2.681 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.820 0.938 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.520 0.302 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.164 0.796 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.041 3.218 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.431 3.271 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.854 4.437 -4.747 1.00 0.00 H new ATOM 1365 N GLU A 83 0.944 0.579 -6.927 1.00 0.00 N ATOM 1366 CA GLU A 83 1.211 -0.397 -8.003 1.00 0.00 C ATOM 1367 C GLU A 83 1.030 -1.858 -7.544 1.00 0.00 C ATOM 1368 O GLU A 83 1.049 -2.167 -6.353 1.00 0.00 O ATOM 1369 CB GLU A 83 2.626 -0.204 -8.589 1.00 0.00 C ATOM 1370 CG GLU A 83 2.714 0.982 -9.556 1.00 0.00 C ATOM 1371 CD GLU A 83 4.017 0.931 -10.378 1.00 0.00 C ATOM 1372 OE1 GLU A 83 5.025 1.557 -9.974 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.036 0.269 -11.446 1.00 0.00 O ATOM 0 H GLU A 83 1.289 0.267 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 83 0.470 -0.203 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.334 -0.055 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.926 -1.114 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.856 0.972 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.670 1.916 -8.996 1.00 0.00 H new ATOM 1380 N THR A 84 0.876 -2.768 -8.506 1.00 0.00 N ATOM 1381 CA THR A 84 0.745 -4.230 -8.336 1.00 0.00 C ATOM 1382 C THR A 84 2.020 -4.954 -8.784 1.00 0.00 C ATOM 1383 O THR A 84 2.819 -4.417 -9.557 1.00 0.00 O ATOM 1384 CB THR A 84 -0.450 -4.751 -9.161 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.309 -4.439 -10.535 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.765 -4.117 -8.714 1.00 0.00 C ATOM 0 H THR A 84 0.836 -2.496 -9.488 1.00 0.00 H new ATOM 0 HA THR A 84 0.581 -4.432 -7.277 1.00 0.00 H new ATOM 0 HB THR A 84 -0.464 -5.829 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.081 -4.784 -11.030 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.582 -4.510 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.944 -4.353 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.708 -3.036 -8.839 1.00 0.00 H new ATOM 1394 N VAL A 85 2.199 -6.201 -8.342 1.00 0.00 N ATOM 1395 CA VAL A 85 3.193 -7.132 -8.895 1.00 0.00 C ATOM 1396 C VAL A 85 2.613 -7.929 -10.078 1.00 0.00 C ATOM 1397 O VAL A 85 1.409 -7.885 -10.346 1.00 0.00 O ATOM 1398 CB VAL A 85 3.722 -8.080 -7.807 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.330 -7.292 -6.644 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.628 -8.999 -7.274 1.00 0.00 C ATOM 0 H VAL A 85 1.652 -6.601 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 85 4.029 -6.541 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 85 4.493 -8.694 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.697 -7.985 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.157 -6.683 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.570 -6.646 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.044 -9.653 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.826 -8.399 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.231 -9.603 -8.090 1.00 0.00 H new ATOM 1410 N THR A 86 3.455 -8.701 -10.762 1.00 0.00 N ATOM 1411 CA THR A 86 3.095 -9.542 -11.917 1.00 0.00 C ATOM 1412 C THR A 86 2.815 -10.999 -11.543 1.00 0.00 C ATOM 1413 O THR A 86 2.015 -11.665 -12.203 1.00 0.00 O ATOM 1414 CB THR A 86 4.221 -9.516 -12.964 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.407 -10.062 -12.423 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.548 -8.095 -13.412 1.00 0.00 C ATOM 0 H THR A 86 4.445 -8.765 -10.524 1.00 0.00 H new ATOM 0 HA THR A 86 2.175 -9.119 -12.320 1.00 0.00 H new ATOM 0 HB THR A 86 3.866 -10.099 -13.814 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.115 -10.041 -13.100 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.348 -8.122 -14.152 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.661 -7.639 -13.853 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.868 -7.507 -12.552 1.00 0.00 H new ATOM 1424 N ASP A 87 3.469 -11.509 -10.493 1.00 0.00 N ATOM 1425 CA ASP A 87 3.544 -12.949 -10.210 1.00 0.00 C ATOM 1426 C ASP A 87 2.498 -13.441 -9.197 1.00 0.00 C ATOM 1427 O ASP A 87 1.920 -14.514 -9.388 1.00 0.00 O ATOM 1428 CB ASP A 87 4.962 -13.290 -9.735 1.00 0.00 C ATOM 1429 CG ASP A 87 5.169 -14.810 -9.626 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.402 -15.463 -10.672 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.102 -15.356 -8.499 1.00 0.00 O ATOM 0 H ASP A 87 3.964 -10.933 -9.812 1.00 0.00 H new ATOM 0 HA ASP A 87 3.313 -13.472 -11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.690 -12.871 -10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.143 -12.826 -8.765 1.00 0.00 H new ATOM 1436 N SER A 88 2.242 -12.666 -8.134 1.00 0.00 N ATOM 1437 CA SER A 88 1.358 -13.085 -7.026 1.00 0.00 C ATOM 1438 C SER A 88 0.420 -11.969 -6.547 1.00 0.00 C ATOM 1439 O SER A 88 0.862 -10.947 -6.031 1.00 0.00 O ATOM 1440 CB SER A 88 2.214 -13.616 -5.871 1.00 0.00 C ATOM 1441 OG SER A 88 1.393 -14.116 -4.827 1.00 0.00 O ATOM 0 H SER A 88 2.638 -11.734 -8.014 1.00 0.00 H new ATOM 0 HA SER A 88 0.709 -13.876 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.872 -14.406 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.852 -12.819 -5.489 1.00 0.00 H new ATOM 0 HG SER A 88 1.957 -14.452 -4.099 1.00 0.00 H new ATOM 1447 N SER A 89 -0.894 -12.167 -6.665 1.00 0.00 N ATOM 1448 CA SER A 89 -1.945 -11.156 -6.417 1.00 0.00 C ATOM 1449 C SER A 89 -2.224 -10.838 -4.929 1.00 0.00 C ATOM 1450 O SER A 89 -3.332 -10.439 -4.561 1.00 0.00 O ATOM 1451 CB SER A 89 -3.208 -11.535 -7.207 1.00 0.00 C ATOM 1452 OG SER A 89 -3.569 -12.888 -6.973 1.00 0.00 O ATOM 0 H SER A 89 -1.279 -13.069 -6.947 1.00 0.00 H new ATOM 0 HA SER A 89 -1.562 -10.204 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.031 -10.881 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.035 -11.380 -8.272 1.00 0.00 H new ATOM 0 HG SER A 89 -4.376 -13.104 -7.485 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.204 -10.976 -4.071 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.192 -10.623 -2.636 1.00 0.00 C ATOM 1460 C ARG A 90 -0.055 -9.661 -2.238 1.00 0.00 C ATOM 1461 O ARG A 90 0.346 -9.624 -1.074 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.327 -11.879 -1.752 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.342 -13.003 -2.104 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.368 -14.149 -1.085 1.00 0.00 C ATOM 1465 NE ARG A 90 0.416 -13.827 0.124 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.524 -14.406 0.551 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.084 -13.971 1.639 1.00 0.00 N ATOM 1468 NH2 ARG A 90 2.091 -15.404 -0.067 1.00 0.00 N ATOM 0 H ARG A 90 -0.309 -11.360 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.083 -10.027 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.179 -11.594 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.344 -12.262 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.582 -13.395 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.667 -12.593 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.399 -14.361 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.029 -15.054 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 90 0.059 -13.065 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.668 -13.193 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.940 -14.407 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.679 -15.774 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.947 -15.815 0.306 1.00 0.00 H new ATOM 1482 N TYR A 91 0.449 -8.868 -3.191 1.00 0.00 N ATOM 1483 CA TYR A 91 1.540 -7.913 -2.995 1.00 0.00 C ATOM 1484 C TYR A 91 1.289 -6.612 -3.775 1.00 0.00 C ATOM 1485 O TYR A 91 0.848 -6.648 -4.929 1.00 0.00 O ATOM 1486 CB TYR A 91 2.853 -8.554 -3.456 1.00 0.00 C ATOM 1487 CG TYR A 91 3.296 -9.770 -2.666 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.959 -11.061 -3.115 1.00 0.00 C ATOM 1489 CD2 TYR A 91 4.048 -9.611 -1.489 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.388 -12.195 -2.400 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.458 -10.741 -0.758 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.143 -12.037 -1.217 1.00 0.00 C ATOM 1493 OH TYR A 91 4.572 -13.126 -0.522 1.00 0.00 O ATOM 0 H TYR A 91 0.096 -8.875 -4.148 1.00 0.00 H new ATOM 0 HA TYR A 91 1.598 -7.660 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.750 -8.840 -4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.641 -7.803 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.369 -11.182 -4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.311 -8.621 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.140 -13.184 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.016 -10.616 0.158 1.00 0.00 H new ATOM 0 HH TYR A 91 5.078 -12.834 0.265 1.00 0.00 H new ATOM 1503 N PHE A 92 1.610 -5.466 -3.166 1.00 0.00 N ATOM 1504 CA PHE A 92 1.479 -4.133 -3.766 1.00 0.00 C ATOM 1505 C PHE A 92 2.698 -3.274 -3.445 1.00 0.00 C ATOM 1506 O PHE A 92 3.402 -3.524 -2.472 1.00 0.00 O ATOM 1507 CB PHE A 92 0.216 -3.428 -3.249 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.067 -4.170 -3.547 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.618 -5.019 -2.574 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.695 -4.032 -4.798 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.794 -5.731 -2.844 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.863 -4.766 -5.075 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.411 -5.618 -4.102 1.00 0.00 C ATOM 0 H PHE A 92 1.979 -5.439 -2.215 1.00 0.00 H new ATOM 0 HA PHE A 92 1.404 -4.262 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.303 -3.292 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.160 -2.434 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.134 -5.124 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.283 -3.366 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.227 -6.367 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.340 -4.674 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.304 -6.185 -4.320 1.00 0.00 H new ATOM 1523 N VAL A 93 2.924 -2.226 -4.228 1.00 0.00 N ATOM 1524 CA VAL A 93 3.847 -1.134 -3.901 1.00 0.00 C ATOM 1525 C VAL A 93 3.043 0.131 -3.666 1.00 0.00 C ATOM 1526 O VAL A 93 2.052 0.353 -4.361 1.00 0.00 O ATOM 1527 CB VAL A 93 4.903 -0.950 -5.005 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.755 0.314 -4.856 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.830 -2.161 -4.998 1.00 0.00 C ATOM 0 H VAL A 93 2.463 -2.104 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 93 4.395 -1.376 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 93 4.356 -0.849 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.473 0.367 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.110 1.192 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.289 0.283 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.585 -2.046 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.319 -2.240 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.250 -3.064 -5.186 1.00 0.00 H new ATOM 1539 N ILE A 94 3.470 0.982 -2.733 1.00 0.00 N ATOM 1540 CA ILE A 94 2.926 2.333 -2.596 1.00 0.00 C ATOM 1541 C ILE A 94 4.033 3.378 -2.455 1.00 0.00 C ATOM 1542 O ILE A 94 5.092 3.102 -1.888 1.00 0.00 O ATOM 1543 CB ILE A 94 1.863 2.459 -1.480 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.368 2.181 -0.044 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.597 1.649 -1.791 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.451 0.712 0.392 1.00 0.00 C ATOM 0 H ILE A 94 4.198 0.756 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 94 2.398 2.538 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 94 1.609 3.519 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.360 2.621 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.714 2.705 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.120 1.769 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.155 2.007 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.856 0.595 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.819 0.657 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.461 0.260 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.133 0.175 -0.267 1.00 0.00 H new ATOM 1558 N ARG A 95 3.779 4.591 -2.965 1.00 0.00 N ATOM 1559 CA ARG A 95 4.665 5.751 -2.772 1.00 0.00 C ATOM 1560 C ARG A 95 4.254 6.503 -1.508 1.00 0.00 C ATOM 1561 O ARG A 95 3.288 7.261 -1.539 1.00 0.00 O ATOM 1562 CB ARG A 95 4.696 6.660 -4.012 1.00 0.00 C ATOM 1563 CG ARG A 95 5.935 7.569 -3.978 1.00 0.00 C ATOM 1564 CD ARG A 95 5.935 8.551 -5.153 1.00 0.00 C ATOM 1565 NE ARG A 95 7.147 9.393 -5.142 1.00 0.00 N ATOM 1566 CZ ARG A 95 7.664 10.064 -6.154 1.00 0.00 C ATOM 1567 NH1 ARG A 95 8.751 10.750 -5.968 1.00 0.00 N ATOM 1568 NH2 ARG A 95 7.129 10.073 -7.342 1.00 0.00 N ATOM 0 H ARG A 95 2.952 4.798 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 95 5.687 5.396 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.708 6.052 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.792 7.268 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.958 8.122 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.838 6.959 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.880 8.000 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.049 9.183 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 95 7.641 9.464 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.194 10.765 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.162 11.274 -6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.274 9.546 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.565 10.607 -8.094 1.00 0.00 H new ATOM 1582 N ILE A 96 4.975 6.270 -0.415 1.00 0.00 N ATOM 1583 CA ILE A 96 4.778 6.950 0.875 1.00 0.00 C ATOM 1584 C ILE A 96 5.525 8.288 0.920 1.00 0.00 C ATOM 1585 O ILE A 96 6.523 8.466 0.217 1.00 0.00 O ATOM 1586 CB ILE A 96 5.110 6.039 2.085 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.595 5.618 2.215 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.241 4.771 2.067 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.450 6.578 3.049 1.00 0.00 C ATOM 0 H ILE A 96 5.733 5.587 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 96 3.715 7.175 0.960 1.00 0.00 H new ATOM 0 HB ILE A 96 4.891 6.662 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.642 4.625 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.027 5.538 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.491 4.147 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.189 5.050 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.427 4.216 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.475 6.210 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.438 7.567 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.046 6.640 4.060 1.00 0.00 H new ATOM 1601 N GLN A 97 5.062 9.220 1.757 1.00 0.00 N ATOM 1602 CA GLN A 97 5.667 10.543 1.962 1.00 0.00 C ATOM 1603 C GLN A 97 5.871 10.846 3.453 1.00 0.00 C ATOM 1604 O GLN A 97 5.043 10.491 4.295 1.00 0.00 O ATOM 1605 CB GLN A 97 4.835 11.665 1.305 1.00 0.00 C ATOM 1606 CG GLN A 97 4.853 11.676 -0.236 1.00 0.00 C ATOM 1607 CD GLN A 97 4.005 10.595 -0.903 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.133 9.986 -0.306 1.00 0.00 O ATOM 1609 NE2 GLN A 97 4.199 10.323 -2.177 1.00 0.00 N ATOM 0 H GLN A 97 4.231 9.072 2.329 1.00 0.00 H new ATOM 0 HA GLN A 97 6.643 10.515 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.802 11.574 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.203 12.626 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.508 12.651 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.884 11.566 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.922 10.818 -2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.627 9.618 -2.641 1.00 0.00 H new ATOM 1682 N SER A 103 9.902 11.331 -0.253 1.00 0.00 N ATOM 1683 CA SER A 103 9.100 10.148 -0.611 1.00 0.00 C ATOM 1684 C SER A 103 9.933 8.880 -0.830 1.00 0.00 C ATOM 1685 O SER A 103 11.140 8.946 -1.080 1.00 0.00 O ATOM 1686 CB SER A 103 8.234 10.430 -1.848 1.00 0.00 C ATOM 1687 OG SER A 103 9.013 10.579 -3.025 1.00 0.00 O ATOM 0 HA SER A 103 8.460 9.954 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.523 9.615 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.651 11.336 -1.683 1.00 0.00 H new ATOM 0 HG SER A 103 9.883 10.966 -2.794 1.00 0.00 H new ATOM 1693 N ALA A 104 9.273 7.721 -0.753 1.00 0.00 N ATOM 1694 CA ALA A 104 9.838 6.412 -1.085 1.00 0.00 C ATOM 1695 C ALA A 104 8.767 5.473 -1.665 1.00 0.00 C ATOM 1696 O ALA A 104 7.620 5.485 -1.220 1.00 0.00 O ATOM 1697 CB ALA A 104 10.475 5.805 0.173 1.00 0.00 C ATOM 0 H ALA A 104 8.301 7.667 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 104 10.602 6.540 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.898 4.830 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.265 6.463 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.715 5.690 0.946 1.00 0.00 H new ATOM 1703 N PHE A 105 9.146 4.622 -2.619 1.00 0.00 N ATOM 1704 CA PHE A 105 8.332 3.478 -3.041 1.00 0.00 C ATOM 1705 C PHE A 105 8.659 2.266 -2.156 1.00 0.00 C ATOM 1706 O PHE A 105 9.808 1.814 -2.122 1.00 0.00 O ATOM 1707 CB PHE A 105 8.560 3.169 -4.527 1.00 0.00 C ATOM 1708 CG PHE A 105 7.914 4.143 -5.500 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.649 5.216 -6.040 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.582 3.941 -5.910 1.00 0.00 C ATOM 1711 CE1 PHE A 105 8.061 6.064 -6.997 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.995 4.778 -6.874 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.739 5.838 -7.423 1.00 0.00 C ATOM 0 H PHE A 105 10.029 4.706 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 105 7.276 3.720 -2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.633 3.150 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.182 2.168 -4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.666 5.388 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.006 3.135 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.625 6.890 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.977 4.608 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.296 6.478 -8.171 1.00 0.00 H new ATOM 1723 N ILE A 106 7.660 1.740 -1.445 1.00 0.00 N ATOM 1724 CA ILE A 106 7.791 0.575 -0.550 1.00 0.00 C ATOM 1725 C ILE A 106 6.863 -0.561 -0.981 1.00 0.00 C ATOM 1726 O ILE A 106 5.738 -0.309 -1.413 1.00 0.00 O ATOM 1727 CB ILE A 106 7.595 0.952 0.938 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.148 1.362 1.299 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.596 2.056 1.314 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.910 1.537 2.806 1.00 0.00 C ATOM 0 H ILE A 106 6.713 2.117 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 106 8.815 0.213 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 106 7.786 0.054 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.908 2.297 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.461 0.607 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.463 2.326 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.612 1.694 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.424 2.932 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.873 1.825 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.117 0.597 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.571 2.313 3.191 1.00 0.00 H new ATOM 1742 N GLY A 107 7.323 -1.805 -0.854 1.00 0.00 N ATOM 1743 CA GLY A 107 6.540 -3.003 -1.152 1.00 0.00 C ATOM 1744 C GLY A 107 5.862 -3.530 0.106 1.00 0.00 C ATOM 1745 O GLY A 107 6.489 -3.577 1.164 1.00 0.00 O ATOM 0 H GLY A 107 8.269 -2.012 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.788 -2.774 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.188 -3.772 -1.571 1.00 0.00 H new ATOM 1749 N ILE A 108 4.597 -3.932 -0.006 1.00 0.00 N ATOM 1750 CA ILE A 108 3.812 -4.556 1.060 1.00 0.00 C ATOM 1751 C ILE A 108 3.242 -5.908 0.626 1.00 0.00 C ATOM 1752 O ILE A 108 2.772 -6.064 -0.503 1.00 0.00 O ATOM 1753 CB ILE A 108 2.722 -3.625 1.636 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.678 -3.141 0.604 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.387 -2.444 2.353 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.451 -2.475 1.249 1.00 0.00 C ATOM 0 H ILE A 108 4.070 -3.829 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 108 4.506 -4.742 1.879 1.00 0.00 H new ATOM 0 HB ILE A 108 2.147 -4.220 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.151 -2.434 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.349 -3.990 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.619 -1.786 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.013 -2.816 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.003 -1.889 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.243 -2.158 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.045 -3.187 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.770 -1.607 1.826 1.00 0.00 H new ATOM 1768 N GLY A 109 3.280 -6.883 1.535 1.00 0.00 N ATOM 1769 CA GLY A 109 2.749 -8.233 1.333 1.00 0.00 C ATOM 1770 C GLY A 109 1.655 -8.602 2.333 1.00 0.00 C ATOM 1771 O GLY A 109 1.737 -8.269 3.519 1.00 0.00 O ATOM 0 H GLY A 109 3.693 -6.752 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.350 -8.313 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.563 -8.953 1.412 1.00 0.00 H new ATOM 1775 N PHE A 110 0.629 -9.292 1.833 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.567 -9.710 2.567 1.00 0.00 C ATOM 1777 C PHE A 110 -0.495 -11.191 2.955 1.00 0.00 C ATOM 1778 O PHE A 110 0.224 -11.978 2.334 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.815 -9.416 1.716 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.172 -7.945 1.643 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.316 -7.028 0.999 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.349 -7.481 2.261 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.599 -5.655 1.036 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.660 -6.112 2.246 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.771 -5.199 1.652 1.00 0.00 C ATOM 0 H PHE A 110 0.608 -9.589 0.857 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.628 -9.142 3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.651 -9.791 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.662 -9.966 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.441 -7.384 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.014 -8.179 2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.914 -4.950 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.580 -5.761 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.993 -4.142 1.671 1.00 0.00 H new ATOM 1795 N THR A 111 -1.278 -11.595 3.956 1.00 0.00 N ATOM 1796 CA THR A 111 -1.338 -12.991 4.424 1.00 0.00 C ATOM 1797 C THR A 111 -2.027 -13.923 3.417 1.00 0.00 C ATOM 1798 O THR A 111 -1.698 -15.108 3.343 1.00 0.00 O ATOM 1799 CB THR A 111 -2.001 -13.050 5.814 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.850 -14.325 6.404 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.496 -12.719 5.814 1.00 0.00 C ATOM 0 H THR A 111 -1.893 -10.965 4.471 1.00 0.00 H new ATOM 0 HA THR A 111 -0.316 -13.359 4.511 1.00 0.00 H new ATOM 0 HB THR A 111 -1.481 -12.283 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.279 -14.331 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.883 -12.784 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.645 -11.709 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.026 -13.428 5.178 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.939 -13.390 2.593 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.680 -14.145 1.580 1.00 0.00 C ATOM 1811 C ASP A 112 -4.223 -13.233 0.463 1.00 0.00 C ATOM 1812 O ASP A 112 -4.470 -12.038 0.668 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.833 -14.915 2.251 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.469 -15.935 1.296 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -4.869 -17.014 1.076 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.543 -15.637 0.723 1.00 0.00 O ATOM 0 H ASP A 112 -3.186 -12.401 2.614 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.991 -14.849 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.460 -15.430 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.593 -14.210 2.589 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.463 -13.812 -0.719 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.097 -13.142 -1.866 1.00 0.00 C ATOM 1823 C ARG A 113 -6.470 -12.567 -1.521 1.00 0.00 C ATOM 1824 O ARG A 113 -6.769 -11.447 -1.927 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.152 -14.147 -3.027 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.565 -13.532 -4.373 1.00 0.00 C ATOM 1827 CD ARG A 113 -7.072 -13.392 -4.640 1.00 0.00 C ATOM 1828 NE ARG A 113 -7.815 -14.661 -4.523 1.00 0.00 N ATOM 1829 CZ ARG A 113 -9.126 -14.795 -4.629 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -9.684 -15.963 -4.479 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -9.907 -13.783 -4.887 1.00 0.00 N ATOM 0 H ARG A 113 -4.217 -14.783 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.503 -12.277 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.172 -14.611 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.854 -14.941 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -5.114 -12.542 -4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -5.134 -14.139 -5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.491 -12.670 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.219 -12.986 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.272 -15.506 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.109 -16.781 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.696 -16.059 -4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.510 -12.852 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.915 -13.923 -4.962 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.265 -13.265 -0.713 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.577 -12.809 -0.239 1.00 0.00 C ATOM 1847 C GLY A 114 -8.545 -11.571 0.672 1.00 0.00 C ATOM 1848 O GLY A 114 -9.596 -10.985 0.927 1.00 0.00 O ATOM 0 H GLY A 114 -7.011 -14.187 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.202 -12.589 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.056 -13.626 0.301 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.363 -11.140 1.132 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.171 -9.925 1.942 1.00 0.00 C ATOM 1854 C ASP A 115 -6.561 -8.781 1.117 1.00 0.00 C ATOM 1855 O ASP A 115 -6.984 -7.631 1.242 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.330 -10.254 3.184 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.111 -11.136 4.171 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -6.757 -12.324 4.351 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.080 -10.625 4.779 1.00 0.00 O ATOM 0 H ASP A 115 -6.491 -11.637 0.948 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.147 -9.572 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.416 -10.765 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.030 -9.330 3.678 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.660 -9.097 0.184 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.249 -8.187 -0.890 1.00 0.00 C ATOM 1866 C ALA A 116 -6.422 -7.774 -1.808 1.00 0.00 C ATOM 1867 O ALA A 116 -6.455 -6.664 -2.351 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.167 -8.920 -1.673 1.00 0.00 C ATOM 0 H ALA A 116 -5.190 -10.001 0.152 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.880 -7.252 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.819 -8.289 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.332 -9.150 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.575 -9.846 -2.078 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.427 -8.644 -1.928 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.712 -8.352 -2.575 1.00 0.00 C ATOM 1876 C PHE A 117 -9.625 -7.388 -1.794 1.00 0.00 C ATOM 1877 O PHE A 117 -10.625 -6.940 -2.350 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.421 -9.657 -2.974 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.156 -10.062 -4.416 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.238 -10.290 -5.290 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.838 -10.163 -4.905 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -10.003 -10.628 -6.635 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -7.604 -10.483 -6.253 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.686 -10.723 -7.118 1.00 0.00 C ATOM 0 H PHE A 117 -7.370 -9.597 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.477 -7.796 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.094 -10.459 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.495 -9.540 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.251 -10.205 -4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.004 -9.994 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.835 -10.815 -7.298 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.592 -10.545 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.506 -10.980 -8.151 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.280 -6.991 -0.563 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.897 -5.832 0.101 1.00 0.00 C ATOM 1896 C ASP A 118 -9.090 -4.539 -0.114 1.00 0.00 C ATOM 1897 O ASP A 118 -9.691 -3.482 -0.304 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.128 -6.121 1.592 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.310 -7.075 1.834 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.132 -8.058 2.590 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.430 -6.812 1.334 1.00 0.00 O ATOM 0 H ASP A 118 -8.570 -7.460 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.869 -5.666 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.223 -6.554 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.310 -5.183 2.116 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.751 -4.602 -0.168 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.885 -3.438 -0.419 1.00 0.00 C ATOM 1908 C PHE A 119 -7.254 -2.707 -1.721 1.00 0.00 C ATOM 1909 O PHE A 119 -7.565 -1.516 -1.706 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.411 -3.889 -0.432 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.410 -2.817 -0.835 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.102 -2.604 -2.194 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.781 -2.023 0.141 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.203 -1.592 -2.571 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.886 -1.007 -0.234 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.596 -0.788 -1.590 1.00 0.00 C ATOM 0 H PHE A 119 -7.233 -5.471 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.036 -2.721 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.150 -4.252 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.312 -4.732 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.560 -3.223 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.988 -2.196 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.978 -1.432 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.420 -0.393 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.910 -0.006 -1.878 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.269 -3.423 -2.849 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.474 -2.796 -4.160 1.00 0.00 C ATOM 1928 C ASN A 120 -8.948 -2.467 -4.452 1.00 0.00 C ATOM 1929 O ASN A 120 -9.240 -1.531 -5.201 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.839 -3.659 -5.265 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.684 -4.840 -5.702 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.432 -4.769 -6.665 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.628 -5.955 -5.014 1.00 0.00 N ATOM 0 H ASN A 120 -7.142 -4.435 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.968 -1.831 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.641 -3.029 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.876 -4.028 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.205 -6.751 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.007 -6.026 -4.208 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.886 -3.218 -3.866 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.326 -3.018 -4.086 1.00 0.00 C ATOM 1942 C VAL A 121 -11.854 -1.855 -3.244 1.00 0.00 C ATOM 1943 O VAL A 121 -12.617 -1.033 -3.749 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.114 -4.323 -3.853 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.630 -4.124 -3.978 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.705 -5.380 -4.889 1.00 0.00 C ATOM 0 H VAL A 121 -9.671 -3.982 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.477 -2.746 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.878 -4.645 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.137 -5.073 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.963 -3.395 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.868 -3.763 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.268 -6.297 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.918 -5.009 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.639 -5.586 -4.797 1.00 0.00 H new ATOM 1956 N SER A 122 -11.396 -1.710 -1.996 1.00 0.00 N ATOM 1957 CA SER A 122 -11.757 -0.559 -1.155 1.00 0.00 C ATOM 1958 C SER A 122 -11.206 0.766 -1.703 1.00 0.00 C ATOM 1959 O SER A 122 -11.886 1.792 -1.620 1.00 0.00 O ATOM 1960 CB SER A 122 -11.299 -0.786 0.284 1.00 0.00 C ATOM 1961 OG SER A 122 -9.890 -0.790 0.378 1.00 0.00 O ATOM 0 H SER A 122 -10.772 -2.377 -1.543 1.00 0.00 H new ATOM 0 HA SER A 122 -12.844 -0.476 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.706 -0.005 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.693 -1.735 0.648 1.00 0.00 H new ATOM 0 HG SER A 122 -9.551 -1.686 0.171 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.026 0.742 -2.340 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.457 1.887 -3.056 1.00 0.00 C ATOM 1969 C LEU A 123 -10.280 2.262 -4.293 1.00 0.00 C ATOM 1970 O LEU A 123 -10.742 3.398 -4.390 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.990 1.603 -3.428 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.000 1.763 -2.260 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.624 1.250 -2.684 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.850 3.229 -1.841 1.00 0.00 C ATOM 0 H LEU A 123 -9.433 -0.088 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.490 2.747 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.916 0.587 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.695 2.275 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.392 1.192 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.923 1.363 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.696 0.197 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.270 1.823 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.143 3.301 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.482 3.813 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.818 3.618 -1.525 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.517 1.330 -5.226 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.228 1.651 -6.476 1.00 0.00 C ATOM 1988 C GLN A 124 -12.692 2.075 -6.241 1.00 0.00 C ATOM 1989 O GLN A 124 -13.232 2.894 -6.985 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.083 0.499 -7.488 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.969 -0.719 -7.205 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.537 -1.938 -8.016 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.168 -2.339 -8.987 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.445 -2.571 -7.645 1.00 0.00 N ATOM 0 H GLN A 124 -10.230 0.355 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.754 2.530 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.316 0.877 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.042 0.177 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.930 -0.958 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.006 -0.476 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.915 -2.243 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.129 -3.390 -8.165 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.316 1.605 -5.154 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.676 1.977 -4.756 1.00 0.00 C ATOM 2005 C ASP A 125 -14.742 3.353 -4.058 1.00 0.00 C ATOM 2006 O ASP A 125 -15.832 3.893 -3.864 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.262 0.855 -3.885 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.756 1.054 -3.573 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.134 1.068 -2.377 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.564 1.162 -4.527 1.00 0.00 O ATOM 0 H ASP A 125 -12.879 0.942 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.282 2.089 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.127 -0.100 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.705 0.800 -2.950 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.596 3.975 -3.746 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.545 5.395 -3.377 1.00 0.00 C ATOM 2017 C HIS A 126 -13.468 6.325 -4.597 1.00 0.00 C ATOM 2018 O HIS A 126 -13.742 7.517 -4.473 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.408 5.668 -2.378 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.548 7.021 -1.713 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.531 7.351 -0.774 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.819 8.142 -1.998 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.386 8.664 -0.532 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.364 9.163 -1.245 1.00 0.00 N ATOM 0 H HIS A 126 -12.687 3.512 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.488 5.625 -2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.401 4.889 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.450 5.616 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -10.983 8.215 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.005 9.238 0.142 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.044 10.132 -1.233 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.138 5.794 -5.783 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.885 6.585 -6.995 1.00 0.00 C ATOM 2034 C PHE A 127 -13.879 6.370 -8.147 1.00 0.00 C ATOM 2035 O PHE A 127 -13.862 7.158 -9.097 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.430 6.377 -7.435 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.421 6.927 -6.445 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.545 6.066 -5.758 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.366 8.312 -6.199 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.604 6.584 -4.852 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.428 8.831 -5.292 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.545 7.968 -4.624 1.00 0.00 C ATOM 0 H PHE A 127 -13.038 4.789 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.051 7.628 -6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.248 5.311 -7.575 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.278 6.856 -8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.596 5.001 -5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.047 8.977 -6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.929 5.920 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.386 9.894 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.819 8.370 -3.933 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.798 5.392 -8.066 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.777 5.107 -9.142 1.00 0.00 C ATOM 2054 C LYS A 128 -16.671 6.294 -9.539 1.00 0.00 C ATOM 2055 O LYS A 128 -17.159 6.341 -10.667 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.604 3.833 -8.860 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.840 3.991 -7.954 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.474 4.208 -6.486 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.702 4.359 -5.584 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.403 3.065 -5.379 1.00 0.00 N ATOM 0 H LYS A 128 -14.887 4.776 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.160 4.919 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.934 3.424 -9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.944 3.093 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.436 4.834 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.464 3.102 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.874 3.367 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.853 5.100 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.396 4.763 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.391 5.079 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.177 3.194 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.792 2.733 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.732 2.361 -5.012 1.00 0.00 H new