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 26:sc= 0.183 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.156 X(o=0.027,f=0.15) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.766 K(o=0.77,f=-0.019) USER MOD Set 3.1: A 44 THR OG1 : rot -160:sc= 0.793 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 145:sc= 0.902 (180deg=0) USER MOD Set 4.1: A 12 CYS SG : rot 74:sc= 0.738 USER MOD Set 4.2: A 14 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.21) USER MOD Set 5.1: A 9 SER OG : rot -175:sc= 0.997 USER MOD Set 5.2: A 52 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0045 USER MOD Single : A 20 TYR OH : rot 15:sc= -0.0139 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= -0.0189 X(o=-0.019,f=-0.019) 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 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.287 X(o=0.29,f=-0.14) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 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 -140:sc= 0.745 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.344 USER MOD Single : A 97 GLN : amide:sc= 0.736 K(o=0.74,f=-3.4!) USER MOD Single : A 103 SER OG : rot -30:sc= 0.0227 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.4) USER MOD Single : A 122 SER OG : rot -88:sc= 1.02 USER MOD Single : A 124 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.761 9.148 6.869 1.00 0.00 N ATOM 187 CA SER A 9 -12.810 8.135 6.662 1.00 0.00 C ATOM 188 C SER A 9 -12.193 6.792 6.272 1.00 0.00 C ATOM 189 O SER A 9 -11.596 6.672 5.205 1.00 0.00 O ATOM 190 CB SER A 9 -13.805 8.610 5.602 1.00 0.00 C ATOM 191 OG SER A 9 -14.626 9.630 6.150 1.00 0.00 O ATOM 0 HA SER A 9 -13.350 7.996 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.271 8.987 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.419 7.775 5.264 1.00 0.00 H new ATOM 0 HG SER A 9 -15.314 9.881 5.499 1.00 0.00 H new ATOM 197 N VAL A 10 -12.310 5.788 7.146 1.00 0.00 N ATOM 198 CA VAL A 10 -11.733 4.440 6.955 1.00 0.00 C ATOM 199 C VAL A 10 -12.427 3.644 5.833 1.00 0.00 C ATOM 200 O VAL A 10 -13.620 3.819 5.578 1.00 0.00 O ATOM 201 CB VAL A 10 -11.678 3.685 8.301 1.00 0.00 C ATOM 202 CG1 VAL A 10 -13.057 3.265 8.823 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.770 2.452 8.243 1.00 0.00 C ATOM 0 H VAL A 10 -12.817 5.884 8.026 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.707 4.560 6.608 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.258 4.409 8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.943 2.740 9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.675 4.150 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.535 2.606 8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.766 1.957 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.141 1.762 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.756 2.759 7.988 1.00 0.00 H new ATOM 213 N LEU A 11 -11.665 2.775 5.157 1.00 0.00 N ATOM 214 CA LEU A 11 -12.060 2.043 3.941 1.00 0.00 C ATOM 215 C LEU A 11 -11.655 0.559 3.995 1.00 0.00 C ATOM 216 O LEU A 11 -12.423 -0.306 3.572 1.00 0.00 O ATOM 217 CB LEU A 11 -11.408 2.709 2.710 1.00 0.00 C ATOM 218 CG LEU A 11 -11.852 4.149 2.395 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.065 4.668 1.190 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.341 4.242 2.056 1.00 0.00 C ATOM 0 H LEU A 11 -10.715 2.551 5.453 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.147 2.084 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.327 2.708 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.614 2.089 1.837 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.663 4.744 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.377 5.688 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.999 4.657 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.258 4.030 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.601 5.279 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.554 3.627 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.930 3.887 2.902 1.00 0.00 H new ATOM 232 N CYS A 12 -10.472 0.263 4.541 1.00 0.00 N ATOM 233 CA CYS A 12 -9.967 -1.089 4.791 1.00 0.00 C ATOM 234 C CYS A 12 -9.101 -1.092 6.048 1.00 0.00 C ATOM 235 O CYS A 12 -8.302 -0.180 6.261 1.00 0.00 O ATOM 236 CB CYS A 12 -9.148 -1.560 3.583 1.00 0.00 C ATOM 237 SG CYS A 12 -8.578 -3.271 3.772 1.00 0.00 S ATOM 0 H CYS A 12 -9.815 0.987 4.832 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.805 -1.769 4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.754 -1.478 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.288 -0.904 3.451 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.578 -4.083 3.597 1.00 0.00 H new ATOM 243 N VAL A 13 -9.222 -2.141 6.855 1.00 0.00 N ATOM 244 CA VAL A 13 -8.298 -2.454 7.951 1.00 0.00 C ATOM 245 C VAL A 13 -7.912 -3.930 7.858 1.00 0.00 C ATOM 246 O VAL A 13 -8.778 -4.792 7.683 1.00 0.00 O ATOM 247 CB VAL A 13 -8.905 -2.084 9.320 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.951 -2.407 10.479 1.00 0.00 C ATOM 249 CG2 VAL A 13 -9.231 -0.586 9.397 1.00 0.00 C ATOM 0 H VAL A 13 -9.982 -2.816 6.767 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.394 -1.853 7.858 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.813 -2.679 9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.419 -2.130 11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.731 -3.475 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.025 -1.846 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.657 -0.356 10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.318 -0.007 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.949 -0.329 8.618 1.00 0.00 H new ATOM 259 N LYS A 14 -6.609 -4.220 7.950 1.00 0.00 N ATOM 260 CA LYS A 14 -6.048 -5.586 7.925 1.00 0.00 C ATOM 261 C LYS A 14 -4.954 -5.763 8.997 1.00 0.00 C ATOM 262 O LYS A 14 -4.071 -4.908 9.085 1.00 0.00 O ATOM 263 CB LYS A 14 -5.538 -5.916 6.500 1.00 0.00 C ATOM 264 CG LYS A 14 -5.932 -7.310 5.974 1.00 0.00 C ATOM 265 CD LYS A 14 -7.448 -7.571 5.866 1.00 0.00 C ATOM 266 CE LYS A 14 -8.186 -6.546 4.996 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.651 -6.617 5.215 1.00 0.00 N ATOM 0 H LYS A 14 -5.895 -3.498 8.046 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.835 -6.299 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.919 -5.163 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.451 -5.835 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.486 -7.448 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.496 -8.064 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.608 -8.567 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.881 -7.566 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.829 -5.543 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.963 -6.729 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.138 -6.053 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.964 -7.607 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.880 -6.241 6.157 1.00 0.00 H new ATOM 281 N PRO A 15 -4.978 -6.836 9.814 1.00 0.00 N ATOM 282 CA PRO A 15 -4.095 -6.969 10.981 1.00 0.00 C ATOM 283 C PRO A 15 -2.669 -7.454 10.674 1.00 0.00 C ATOM 284 O PRO A 15 -1.797 -7.340 11.536 1.00 0.00 O ATOM 285 CB PRO A 15 -4.798 -7.970 11.898 1.00 0.00 C ATOM 286 CG PRO A 15 -5.565 -8.861 10.925 1.00 0.00 C ATOM 287 CD PRO A 15 -5.990 -7.884 9.834 1.00 0.00 C ATOM 0 HA PRO A 15 -3.946 -5.984 11.422 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.084 -8.543 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.467 -7.472 12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.939 -9.661 10.530 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.424 -9.334 11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.053 -8.383 8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.976 -7.470 10.044 1.00 0.00 H new ATOM 295 N ASP A 16 -2.421 -8.011 9.486 1.00 0.00 N ATOM 296 CA ASP A 16 -1.131 -8.591 9.096 1.00 0.00 C ATOM 297 C ASP A 16 -0.684 -8.057 7.729 1.00 0.00 C ATOM 298 O ASP A 16 -1.222 -8.440 6.684 1.00 0.00 O ATOM 299 CB ASP A 16 -1.220 -10.125 9.092 1.00 0.00 C ATOM 300 CG ASP A 16 -1.263 -10.710 10.513 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.193 -10.782 11.166 1.00 0.00 O ATOM 302 OD2 ASP A 16 -2.352 -11.134 10.968 1.00 0.00 O ATOM 0 H ASP A 16 -3.126 -8.073 8.752 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.379 -8.294 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.112 -10.434 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.363 -10.535 8.558 1.00 0.00 H new ATOM 307 N VAL A 17 0.320 -7.179 7.745 1.00 0.00 N ATOM 308 CA VAL A 17 0.997 -6.649 6.552 1.00 0.00 C ATOM 309 C VAL A 17 2.493 -6.456 6.829 1.00 0.00 C ATOM 310 O VAL A 17 2.893 -6.067 7.932 1.00 0.00 O ATOM 311 CB VAL A 17 0.305 -5.368 6.032 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.449 -4.157 6.960 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.806 -4.965 4.642 1.00 0.00 C ATOM 0 H VAL A 17 0.699 -6.803 8.614 1.00 0.00 H new ATOM 0 HA VAL A 17 0.914 -7.379 5.747 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.749 -5.641 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.064 -3.300 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.008 -4.387 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.505 -3.920 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.292 -4.060 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.879 -4.778 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.604 -5.770 3.935 1.00 0.00 H new ATOM 323 N SER A 18 3.321 -6.742 5.826 1.00 0.00 N ATOM 324 CA SER A 18 4.787 -6.753 5.928 1.00 0.00 C ATOM 325 C SER A 18 5.419 -5.853 4.870 1.00 0.00 C ATOM 326 O SER A 18 5.054 -5.950 3.700 1.00 0.00 O ATOM 327 CB SER A 18 5.309 -8.185 5.760 1.00 0.00 C ATOM 328 OG SER A 18 4.750 -9.053 6.735 1.00 0.00 O ATOM 0 H SER A 18 2.986 -6.980 4.892 1.00 0.00 H new ATOM 0 HA SER A 18 5.061 -6.373 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.065 -8.549 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.396 -8.191 5.844 1.00 0.00 H new ATOM 0 HG SER A 18 5.098 -9.960 6.604 1.00 0.00 H new ATOM 334 N VAL A 19 6.364 -4.994 5.267 1.00 0.00 N ATOM 335 CA VAL A 19 7.068 -4.056 4.374 1.00 0.00 C ATOM 336 C VAL A 19 8.414 -4.615 3.939 1.00 0.00 C ATOM 337 O VAL A 19 9.246 -4.978 4.770 1.00 0.00 O ATOM 338 CB VAL A 19 7.260 -2.669 5.020 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.150 -1.731 4.186 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.914 -1.964 5.187 1.00 0.00 C ATOM 0 H VAL A 19 6.670 -4.927 6.238 1.00 0.00 H new ATOM 0 HA VAL A 19 6.435 -3.932 3.495 1.00 0.00 H new ATOM 0 HB VAL A 19 7.740 -2.862 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.245 -0.772 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.137 -2.178 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.699 -1.578 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.069 -0.987 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.446 -1.837 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.266 -2.564 5.825 1.00 0.00 H new ATOM 350 N TYR A 20 8.666 -4.574 2.635 1.00 0.00 N ATOM 351 CA TYR A 20 9.967 -4.834 2.025 1.00 0.00 C ATOM 352 C TYR A 20 10.264 -3.709 1.027 1.00 0.00 C ATOM 353 O TYR A 20 9.530 -3.510 0.057 1.00 0.00 O ATOM 354 CB TYR A 20 10.025 -6.235 1.377 1.00 0.00 C ATOM 355 CG TYR A 20 8.859 -7.168 1.666 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.918 -8.068 2.747 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.710 -7.123 0.855 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.839 -8.929 3.016 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.627 -7.982 1.118 1.00 0.00 C ATOM 360 CZ TYR A 20 6.692 -8.894 2.194 1.00 0.00 C ATOM 361 OH TYR A 20 5.663 -9.756 2.422 1.00 0.00 O ATOM 0 H TYR A 20 7.945 -4.351 1.949 1.00 0.00 H new ATOM 0 HA TYR A 20 10.742 -4.840 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.100 -6.108 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.942 -6.724 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.797 -8.097 3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.659 -6.428 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.888 -9.615 3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.745 -7.944 0.496 1.00 0.00 H new ATOM 0 HH TYR A 20 5.763 -10.157 3.310 1.00 0.00 H new ATOM 371 N ARG A 21 11.326 -2.938 1.278 1.00 0.00 N ATOM 372 CA ARG A 21 11.723 -1.815 0.412 1.00 0.00 C ATOM 373 C ARG A 21 12.298 -2.353 -0.901 1.00 0.00 C ATOM 374 O ARG A 21 13.150 -3.244 -0.898 1.00 0.00 O ATOM 375 CB ARG A 21 12.681 -0.861 1.141 1.00 0.00 C ATOM 376 CG ARG A 21 12.045 -0.310 2.428 1.00 0.00 C ATOM 377 CD ARG A 21 12.921 0.771 3.063 1.00 0.00 C ATOM 378 NE ARG A 21 12.476 1.048 4.441 1.00 0.00 N ATOM 379 CZ ARG A 21 11.883 2.113 4.936 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.554 2.090 6.191 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.612 3.177 4.234 1.00 0.00 N ATOM 0 H ARG A 21 11.936 -3.071 2.085 1.00 0.00 H new ATOM 0 HA ARG A 21 10.843 -1.221 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.605 -1.385 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.948 -0.035 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.062 0.102 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.895 -1.123 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.962 0.448 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.873 1.683 2.468 1.00 0.00 H new ATOM 0 HE ARG A 21 12.655 0.301 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.757 1.266 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.093 2.896 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.862 3.213 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.150 3.974 4.673 1.00 0.00 H new ATOM 395 N ILE A 22 11.783 -1.849 -2.018 1.00 0.00 N ATOM 396 CA ILE A 22 11.941 -2.481 -3.338 1.00 0.00 C ATOM 397 C ILE A 22 13.235 -2.061 -4.065 1.00 0.00 C ATOM 398 O ILE A 22 13.696 -0.927 -3.890 1.00 0.00 O ATOM 399 CB ILE A 22 10.692 -2.271 -4.228 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.426 -0.782 -4.544 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.473 -2.949 -3.579 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.241 -0.570 -5.489 1.00 0.00 C ATOM 0 H ILE A 22 11.240 -0.986 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 22 12.037 -3.550 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 22 10.884 -2.742 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.240 -0.247 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.320 -0.346 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.596 -2.799 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.665 -4.017 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.294 -2.512 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.107 0.496 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.434 -1.078 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.337 -0.977 -5.036 1.00 0.00 H new ATOM 532 N TYR A 31 7.543 -5.365 -11.292 1.00 0.00 N ATOM 533 CA TYR A 31 7.663 -5.994 -9.985 1.00 0.00 C ATOM 534 C TYR A 31 6.936 -7.344 -9.967 1.00 0.00 C ATOM 535 O TYR A 31 5.791 -7.432 -10.397 1.00 0.00 O ATOM 536 CB TYR A 31 7.072 -5.068 -8.923 1.00 0.00 C ATOM 537 CG TYR A 31 7.508 -3.614 -8.966 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.572 -2.626 -8.606 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.818 -3.242 -9.343 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.935 -1.269 -8.601 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.195 -1.886 -9.288 1.00 0.00 C ATOM 542 CZ TYR A 31 8.256 -0.894 -8.933 1.00 0.00 C ATOM 543 OH TYR A 31 8.633 0.414 -8.915 1.00 0.00 O ATOM 0 HA TYR A 31 8.717 -6.170 -9.771 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.986 -5.100 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.325 -5.470 -7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.568 -2.913 -8.332 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.524 -3.991 -9.670 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.206 -0.514 -8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.211 -1.603 -9.519 1.00 0.00 H new ATOM 0 HH TYR A 31 9.577 0.486 -9.169 1.00 0.00 H new ATOM 553 N ARG A 32 7.558 -8.388 -9.419 1.00 0.00 N ATOM 554 CA ARG A 32 7.043 -9.779 -9.439 1.00 0.00 C ATOM 555 C ARG A 32 6.934 -10.430 -8.065 1.00 0.00 C ATOM 556 O ARG A 32 6.904 -11.651 -7.968 1.00 0.00 O ATOM 557 CB ARG A 32 7.781 -10.659 -10.475 1.00 0.00 C ATOM 558 CG ARG A 32 9.317 -10.688 -10.422 1.00 0.00 C ATOM 559 CD ARG A 32 9.945 -9.499 -11.165 1.00 0.00 C ATOM 560 NE ARG A 32 11.403 -9.655 -11.323 1.00 0.00 N ATOM 561 CZ ARG A 32 12.258 -8.697 -11.628 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.535 -8.945 -11.661 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.875 -7.484 -11.910 1.00 0.00 N ATOM 0 H ARG A 32 8.452 -8.301 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 32 6.009 -9.699 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.422 -11.682 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.486 -10.325 -11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.643 -10.678 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.677 -11.619 -10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.482 -9.400 -12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.736 -8.579 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 32 11.786 -10.590 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.878 -9.882 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.193 -8.202 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.883 -7.247 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.567 -6.771 -12.141 1.00 0.00 H new ATOM 577 N ALA A 33 6.873 -9.606 -7.020 1.00 0.00 N ATOM 578 CA ALA A 33 6.946 -9.940 -5.594 1.00 0.00 C ATOM 579 C ALA A 33 8.217 -10.705 -5.156 1.00 0.00 C ATOM 580 O ALA A 33 8.908 -10.278 -4.234 1.00 0.00 O ATOM 581 CB ALA A 33 5.642 -10.643 -5.219 1.00 0.00 C ATOM 0 H ALA A 33 6.762 -8.602 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 33 7.050 -9.014 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.662 -10.907 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.801 -9.977 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.532 -11.548 -5.817 1.00 0.00 H new ATOM 587 N SER A 34 8.581 -11.787 -5.848 1.00 0.00 N ATOM 588 CA SER A 34 9.731 -12.659 -5.559 1.00 0.00 C ATOM 589 C SER A 34 11.101 -11.978 -5.703 1.00 0.00 C ATOM 590 O SER A 34 12.107 -12.500 -5.224 1.00 0.00 O ATOM 591 CB SER A 34 9.686 -13.895 -6.465 1.00 0.00 C ATOM 592 OG SER A 34 8.477 -14.612 -6.269 1.00 0.00 O ATOM 0 H SER A 34 8.058 -12.098 -6.667 1.00 0.00 H new ATOM 0 HA SER A 34 9.635 -12.933 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.770 -13.591 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.537 -14.541 -6.251 1.00 0.00 H new ATOM 0 HG SER A 34 8.463 -15.397 -6.856 1.00 0.00 H new ATOM 598 N ASP A 35 11.150 -10.806 -6.345 1.00 0.00 N ATOM 599 CA ASP A 35 12.350 -9.966 -6.466 1.00 0.00 C ATOM 600 C ASP A 35 12.571 -9.046 -5.242 1.00 0.00 C ATOM 601 O ASP A 35 13.614 -8.397 -5.131 1.00 0.00 O ATOM 602 CB ASP A 35 12.241 -9.176 -7.779 1.00 0.00 C ATOM 603 CG ASP A 35 13.573 -8.547 -8.223 1.00 0.00 C ATOM 604 OD1 ASP A 35 14.590 -9.277 -8.314 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.583 -7.341 -8.560 1.00 0.00 O ATOM 0 H ASP A 35 10.335 -10.403 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 35 13.234 -10.604 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.880 -9.839 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.497 -8.388 -7.660 1.00 0.00 H new ATOM 610 N TRP A 36 11.609 -8.983 -4.312 1.00 0.00 N ATOM 611 CA TRP A 36 11.675 -8.222 -3.066 1.00 0.00 C ATOM 612 C TRP A 36 12.183 -9.099 -1.905 1.00 0.00 C ATOM 613 O TRP A 36 12.250 -10.328 -1.996 1.00 0.00 O ATOM 614 CB TRP A 36 10.283 -7.651 -2.741 1.00 0.00 C ATOM 615 CG TRP A 36 9.515 -6.917 -3.809 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.984 -6.436 -4.988 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.101 -6.546 -3.770 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.961 -5.810 -5.677 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.797 -5.801 -4.947 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.047 -6.751 -2.852 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.536 -5.246 -5.180 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.772 -6.193 -3.072 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.521 -5.435 -4.228 1.00 0.00 C ATOM 0 H TRP A 36 10.727 -9.484 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 36 12.382 -7.402 -3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.661 -8.480 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.397 -6.972 -1.896 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.002 -6.528 -5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.058 -5.406 -6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.221 -7.345 -1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.345 -4.680 -6.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.985 -6.349 -2.349 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.546 -4.997 -4.385 1.00 0.00 H new ATOM 634 N LYS A 37 12.493 -8.465 -0.772 1.00 0.00 N ATOM 635 CA LYS A 37 12.955 -9.095 0.482 1.00 0.00 C ATOM 636 C LYS A 37 11.839 -9.773 1.295 1.00 0.00 C ATOM 637 O LYS A 37 11.711 -9.560 2.499 1.00 0.00 O ATOM 638 CB LYS A 37 13.759 -8.062 1.295 1.00 0.00 C ATOM 639 CG LYS A 37 15.133 -7.740 0.698 1.00 0.00 C ATOM 640 CD LYS A 37 16.013 -8.982 0.470 1.00 0.00 C ATOM 641 CE LYS A 37 17.507 -8.683 0.621 1.00 0.00 C ATOM 642 NZ LYS A 37 18.022 -7.784 -0.447 1.00 0.00 N ATOM 0 H LYS A 37 12.428 -7.450 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 37 13.609 -9.926 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.180 -7.141 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.893 -8.437 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.995 -7.224 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.656 -7.052 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.729 -9.759 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.825 -9.377 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.685 -8.225 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.065 -9.619 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.037 -7.614 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.878 -8.230 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.511 -6.879 -0.415 1.00 0.00 H new ATOM 656 N LEU A 38 11.064 -10.642 0.645 1.00 0.00 N ATOM 657 CA LEU A 38 9.915 -11.355 1.227 1.00 0.00 C ATOM 658 C LEU A 38 10.242 -12.165 2.492 1.00 0.00 C ATOM 659 O LEU A 38 9.375 -12.360 3.343 1.00 0.00 O ATOM 660 CB LEU A 38 9.348 -12.328 0.181 1.00 0.00 C ATOM 661 CG LEU A 38 8.857 -11.692 -1.130 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.166 -12.773 -1.965 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.877 -10.544 -0.904 1.00 0.00 C ATOM 0 H LEU A 38 11.220 -10.880 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 38 9.202 -10.583 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.117 -13.062 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.518 -12.872 0.631 1.00 0.00 H new ATOM 0 HG LEU A 38 9.727 -11.279 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.811 -12.339 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.874 -13.573 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.321 -13.178 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.566 -10.136 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.003 -10.912 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.361 -9.763 -0.318 1.00 0.00 H new ATOM 675 N ASP A 39 11.485 -12.639 2.620 1.00 0.00 N ATOM 676 CA ASP A 39 11.919 -13.485 3.745 1.00 0.00 C ATOM 677 C ASP A 39 12.425 -12.658 4.947 1.00 0.00 C ATOM 678 O ASP A 39 12.718 -13.203 6.012 1.00 0.00 O ATOM 679 CB ASP A 39 12.977 -14.472 3.226 1.00 0.00 C ATOM 680 CG ASP A 39 13.321 -15.578 4.241 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.412 -16.354 4.625 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.510 -15.710 4.618 1.00 0.00 O ATOM 0 H ASP A 39 12.225 -12.448 1.945 1.00 0.00 H new ATOM 0 HA ASP A 39 11.063 -14.040 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.616 -14.931 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.885 -13.923 2.974 1.00 0.00 H new ATOM 687 N GLN A 40 12.551 -11.338 4.768 1.00 0.00 N ATOM 688 CA GLN A 40 13.241 -10.426 5.689 1.00 0.00 C ATOM 689 C GLN A 40 12.669 -8.987 5.614 1.00 0.00 C ATOM 690 O GLN A 40 13.361 -8.068 5.161 1.00 0.00 O ATOM 691 CB GLN A 40 14.765 -10.528 5.438 1.00 0.00 C ATOM 692 CG GLN A 40 15.228 -10.239 3.998 1.00 0.00 C ATOM 693 CD GLN A 40 16.377 -11.143 3.562 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.513 -11.016 3.998 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.129 -12.085 2.671 1.00 0.00 N ATOM 0 H GLN A 40 12.164 -10.860 3.954 1.00 0.00 H new ATOM 0 HA GLN A 40 13.061 -10.723 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.272 -9.834 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.093 -11.531 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.388 -10.370 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.540 -9.197 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.186 -12.201 2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.881 -12.697 2.353 1.00 0.00 H new ATOM 704 N PRO A 41 11.401 -8.767 6.034 1.00 0.00 N ATOM 705 CA PRO A 41 10.775 -7.443 6.049 1.00 0.00 C ATOM 706 C PRO A 41 11.547 -6.428 6.904 1.00 0.00 C ATOM 707 O PRO A 41 12.102 -6.753 7.956 1.00 0.00 O ATOM 708 CB PRO A 41 9.338 -7.643 6.560 1.00 0.00 C ATOM 709 CG PRO A 41 9.421 -8.952 7.344 1.00 0.00 C ATOM 710 CD PRO A 41 10.478 -9.752 6.583 1.00 0.00 C ATOM 0 HA PRO A 41 10.780 -7.017 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.017 -6.815 7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.625 -7.711 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.714 -8.782 8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.462 -9.470 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.995 -10.446 7.245 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.023 -10.346 5.791 1.00 0.00 H new ATOM 718 N ASP A 42 11.539 -5.172 6.458 1.00 0.00 N ATOM 719 CA ASP A 42 12.109 -4.028 7.181 1.00 0.00 C ATOM 720 C ASP A 42 11.245 -3.635 8.396 1.00 0.00 C ATOM 721 O ASP A 42 11.756 -3.140 9.404 1.00 0.00 O ATOM 722 CB ASP A 42 12.238 -2.860 6.191 1.00 0.00 C ATOM 723 CG ASP A 42 12.934 -1.636 6.808 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.333 -0.535 6.792 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.104 -1.756 7.244 1.00 0.00 O ATOM 0 H ASP A 42 11.126 -4.912 5.562 1.00 0.00 H new ATOM 0 HA ASP A 42 13.089 -4.295 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.799 -3.190 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.246 -2.572 5.843 1.00 0.00 H new ATOM 730 N TRP A 43 9.935 -3.895 8.307 1.00 0.00 N ATOM 731 CA TRP A 43 8.931 -3.670 9.349 1.00 0.00 C ATOM 732 C TRP A 43 7.700 -4.560 9.103 1.00 0.00 C ATOM 733 O TRP A 43 7.384 -4.885 7.955 1.00 0.00 O ATOM 734 CB TRP A 43 8.548 -2.182 9.338 1.00 0.00 C ATOM 735 CG TRP A 43 7.368 -1.788 10.170 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.400 -1.303 11.432 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.961 -1.800 9.782 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.115 -0.995 11.841 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.193 -1.246 10.846 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.265 -2.222 8.631 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.807 -1.062 10.744 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.873 -2.032 8.519 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.143 -1.453 9.571 1.00 0.00 C ATOM 0 H TRP A 43 9.527 -4.289 7.459 1.00 0.00 H new ATOM 0 HA TRP A 43 9.336 -3.933 10.326 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.410 -1.606 9.675 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.351 -1.888 8.307 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.291 -1.176 12.028 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.879 -0.628 12.763 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.805 -2.697 7.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.255 -0.623 11.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.363 -2.334 7.616 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.077 -1.310 9.477 1.00 0.00 H new ATOM 754 N THR A 44 6.974 -4.926 10.164 1.00 0.00 N ATOM 755 CA THR A 44 5.657 -5.580 10.072 1.00 0.00 C ATOM 756 C THR A 44 4.642 -4.952 11.026 1.00 0.00 C ATOM 757 O THR A 44 4.993 -4.457 12.100 1.00 0.00 O ATOM 758 CB THR A 44 5.720 -7.093 10.324 1.00 0.00 C ATOM 759 OG1 THR A 44 6.195 -7.403 11.620 1.00 0.00 O ATOM 760 CG2 THR A 44 6.593 -7.830 9.324 1.00 0.00 C ATOM 0 H THR A 44 7.285 -4.776 11.124 1.00 0.00 H new ATOM 0 HA THR A 44 5.330 -5.422 9.044 1.00 0.00 H new ATOM 0 HB THR A 44 4.688 -7.426 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.518 -8.328 11.637 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.595 -8.895 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.200 -7.680 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.611 -7.445 9.377 1.00 0.00 H new ATOM 768 N GLY A 45 3.364 -4.999 10.648 1.00 0.00 N ATOM 769 CA GLY A 45 2.277 -4.406 11.424 1.00 0.00 C ATOM 770 C GLY A 45 0.912 -4.537 10.751 1.00 0.00 C ATOM 771 O GLY A 45 0.583 -5.590 10.201 1.00 0.00 O ATOM 0 H GLY A 45 3.053 -5.453 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.238 -4.882 12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.492 -3.351 11.590 1.00 0.00 H new ATOM 775 N ARG A 46 0.120 -3.465 10.828 1.00 0.00 N ATOM 776 CA ARG A 46 -1.281 -3.375 10.394 1.00 0.00 C ATOM 777 C ARG A 46 -1.462 -2.383 9.244 1.00 0.00 C ATOM 778 O ARG A 46 -0.759 -1.375 9.152 1.00 0.00 O ATOM 779 CB ARG A 46 -2.166 -2.957 11.580 1.00 0.00 C ATOM 780 CG ARG A 46 -2.035 -3.865 12.816 1.00 0.00 C ATOM 781 CD ARG A 46 -3.001 -3.454 13.937 1.00 0.00 C ATOM 782 NE ARG A 46 -2.614 -2.164 14.541 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.074 -0.961 14.260 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.529 0.070 14.817 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.030 -0.711 13.417 1.00 0.00 N ATOM 0 H ARG A 46 0.456 -2.584 11.217 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.578 -4.360 10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.913 -1.936 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.207 -2.950 11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.231 -4.898 12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.011 -3.826 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.013 -3.381 13.538 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.017 -4.226 14.706 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.900 -2.209 15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.752 -0.052 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.876 1.006 14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.482 -1.476 12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.329 0.251 13.255 1.00 0.00 H new ATOM 799 N LEU A 47 -2.458 -2.651 8.407 1.00 0.00 N ATOM 800 CA LEU A 47 -2.951 -1.778 7.343 1.00 0.00 C ATOM 801 C LEU A 47 -4.141 -0.947 7.847 1.00 0.00 C ATOM 802 O LEU A 47 -5.062 -1.499 8.455 1.00 0.00 O ATOM 803 CB LEU A 47 -3.391 -2.676 6.172 1.00 0.00 C ATOM 804 CG LEU A 47 -3.948 -1.923 4.947 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.825 -1.428 4.039 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.872 -2.855 4.173 1.00 0.00 C ATOM 0 H LEU A 47 -2.972 -3.531 8.453 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.170 -1.087 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.539 -3.276 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.152 -3.369 6.531 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.500 -1.050 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.252 -0.902 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.178 -0.750 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.241 -2.278 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.272 -2.332 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.313 -3.731 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.694 -3.170 4.817 1.00 0.00 H new ATOM 818 N ARG A 48 -4.178 0.339 7.484 1.00 0.00 N ATOM 819 CA ARG A 48 -5.382 1.182 7.502 1.00 0.00 C ATOM 820 C ARG A 48 -5.459 2.004 6.213 1.00 0.00 C ATOM 821 O ARG A 48 -4.675 2.927 6.006 1.00 0.00 O ATOM 822 CB ARG A 48 -5.384 2.084 8.752 1.00 0.00 C ATOM 823 CG ARG A 48 -6.714 2.852 8.884 1.00 0.00 C ATOM 824 CD ARG A 48 -6.688 3.946 9.959 1.00 0.00 C ATOM 825 NE ARG A 48 -6.288 3.434 11.282 1.00 0.00 N ATOM 826 CZ ARG A 48 -7.007 2.787 12.174 1.00 0.00 C ATOM 827 NH1 ARG A 48 -6.433 2.352 13.255 1.00 0.00 N ATOM 828 NH2 ARG A 48 -8.281 2.555 12.020 1.00 0.00 N ATOM 0 H ARG A 48 -3.349 0.838 7.160 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.268 0.549 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.222 1.476 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.557 2.791 8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.959 3.304 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.510 2.145 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.998 4.733 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.676 4.400 10.033 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.317 3.605 11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.437 2.514 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.978 1.849 13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.761 2.880 11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.798 2.049 12.739 1.00 0.00 H new ATOM 842 N ILE A 49 -6.427 1.694 5.359 1.00 0.00 N ATOM 843 CA ILE A 49 -6.786 2.540 4.215 1.00 0.00 C ATOM 844 C ILE A 49 -7.882 3.504 4.659 1.00 0.00 C ATOM 845 O ILE A 49 -8.878 3.101 5.263 1.00 0.00 O ATOM 846 CB ILE A 49 -7.188 1.735 2.967 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.132 0.652 2.661 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.365 2.677 1.761 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.448 -0.158 1.405 1.00 0.00 C ATOM 0 H ILE A 49 -6.990 0.847 5.436 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.905 3.101 3.904 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.139 1.239 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.158 1.126 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.057 -0.024 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.649 2.096 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.144 3.407 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.427 3.196 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.667 -0.902 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.408 -0.660 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.494 0.509 0.544 1.00 0.00 H new ATOM 861 N THR A 50 -7.679 4.773 4.345 1.00 0.00 N ATOM 862 CA THR A 50 -8.477 5.929 4.756 1.00 0.00 C ATOM 863 C THR A 50 -8.640 6.903 3.581 1.00 0.00 C ATOM 864 O THR A 50 -8.013 6.725 2.537 1.00 0.00 O ATOM 865 CB THR A 50 -7.817 6.623 5.970 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.428 6.427 6.069 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.414 6.134 7.288 1.00 0.00 C ATOM 0 H THR A 50 -6.896 5.048 3.753 1.00 0.00 H new ATOM 0 HA THR A 50 -9.470 5.593 5.055 1.00 0.00 H new ATOM 0 HB THR A 50 -8.015 7.681 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.087 6.897 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.926 6.643 8.119 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.482 6.351 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.260 5.059 7.380 1.00 0.00 H new ATOM 875 N SER A 51 -9.494 7.924 3.691 1.00 0.00 N ATOM 876 CA SER A 51 -9.673 8.945 2.651 1.00 0.00 C ATOM 877 C SER A 51 -10.272 10.224 3.213 1.00 0.00 C ATOM 878 O SER A 51 -11.055 10.192 4.169 1.00 0.00 O ATOM 879 CB SER A 51 -10.565 8.397 1.531 1.00 0.00 C ATOM 880 OG SER A 51 -10.650 9.312 0.456 1.00 0.00 O ATOM 0 H SER A 51 -10.086 8.068 4.509 1.00 0.00 H new ATOM 0 HA SER A 51 -8.689 9.189 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.165 7.448 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.563 8.196 1.922 1.00 0.00 H new ATOM 0 HG SER A 51 -9.846 9.872 0.438 1.00 0.00 H new ATOM 886 N LYS A 52 -9.914 11.354 2.599 1.00 0.00 N ATOM 887 CA LYS A 52 -10.681 12.593 2.675 1.00 0.00 C ATOM 888 C LYS A 52 -10.510 13.472 1.428 1.00 0.00 C ATOM 889 O LYS A 52 -9.394 13.792 1.024 1.00 0.00 O ATOM 890 CB LYS A 52 -10.308 13.342 3.957 1.00 0.00 C ATOM 891 CG LYS A 52 -11.334 14.410 4.354 1.00 0.00 C ATOM 892 CD LYS A 52 -12.775 13.913 4.553 1.00 0.00 C ATOM 893 CE LYS A 52 -12.899 12.775 5.572 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.323 12.404 5.776 1.00 0.00 N ATOM 0 H LYS A 52 -9.072 11.432 2.029 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.740 12.337 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.206 12.625 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.335 13.814 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.001 14.880 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.340 15.184 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.396 14.748 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.169 13.575 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.338 11.907 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.458 13.081 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.384 11.408 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.737 13.009 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.847 12.535 4.887 1.00 0.00 H new ATOM 908 N GLY A 53 -11.634 13.899 0.852 1.00 0.00 N ATOM 909 CA GLY A 53 -11.703 14.998 -0.127 1.00 0.00 C ATOM 910 C GLY A 53 -11.087 14.685 -1.495 1.00 0.00 C ATOM 911 O GLY A 53 -10.320 15.492 -2.023 1.00 0.00 O ATOM 0 H GLY A 53 -12.544 13.485 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.748 15.272 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.199 15.869 0.291 1.00 0.00 H new ATOM 915 N LYS A 54 -11.402 13.505 -2.049 1.00 0.00 N ATOM 916 CA LYS A 54 -10.832 12.941 -3.295 1.00 0.00 C ATOM 917 C LYS A 54 -9.319 12.674 -3.205 1.00 0.00 C ATOM 918 O LYS A 54 -8.626 12.621 -4.220 1.00 0.00 O ATOM 919 CB LYS A 54 -11.247 13.748 -4.546 1.00 0.00 C ATOM 920 CG LYS A 54 -12.771 13.875 -4.719 1.00 0.00 C ATOM 921 CD LYS A 54 -13.162 14.639 -5.993 1.00 0.00 C ATOM 922 CE LYS A 54 -12.728 16.112 -5.946 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.172 16.853 -7.157 1.00 0.00 N ATOM 0 H LYS A 54 -12.092 12.884 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.278 11.954 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.812 14.746 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.828 13.271 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.213 12.879 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.190 14.385 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.707 14.156 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.242 14.585 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.143 16.586 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.643 16.170 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.862 17.843 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.756 16.415 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.209 16.819 -7.224 1.00 0.00 H new ATOM 937 N THR A 55 -8.827 12.447 -1.989 1.00 0.00 N ATOM 938 CA THR A 55 -7.480 11.944 -1.705 1.00 0.00 C ATOM 939 C THR A 55 -7.588 10.785 -0.721 1.00 0.00 C ATOM 940 O THR A 55 -7.981 10.972 0.432 1.00 0.00 O ATOM 941 CB THR A 55 -6.567 13.038 -1.134 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.522 14.155 -2.002 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.134 12.537 -0.985 1.00 0.00 C ATOM 0 H THR A 55 -9.372 12.613 -1.143 1.00 0.00 H new ATOM 0 HA THR A 55 -7.031 11.609 -2.640 1.00 0.00 H new ATOM 0 HB THR A 55 -6.979 13.314 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.937 14.842 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.511 13.333 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.116 11.682 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.750 12.238 -1.960 1.00 0.00 H new ATOM 951 N ALA A 56 -7.231 9.586 -1.176 1.00 0.00 N ATOM 952 CA ALA A 56 -7.114 8.408 -0.330 1.00 0.00 C ATOM 953 C ALA A 56 -5.738 8.370 0.350 1.00 0.00 C ATOM 954 O ALA A 56 -4.782 8.988 -0.113 1.00 0.00 O ATOM 955 CB ALA A 56 -7.403 7.155 -1.156 1.00 0.00 C ATOM 0 H ALA A 56 -7.013 9.406 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.853 8.449 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.315 6.273 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.413 7.211 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.687 7.086 -1.975 1.00 0.00 H new ATOM 961 N TYR A 57 -5.641 7.624 1.442 1.00 0.00 N ATOM 962 CA TYR A 57 -4.469 7.510 2.298 1.00 0.00 C ATOM 963 C TYR A 57 -4.258 6.030 2.649 1.00 0.00 C ATOM 964 O TYR A 57 -5.096 5.422 3.312 1.00 0.00 O ATOM 965 CB TYR A 57 -4.690 8.377 3.557 1.00 0.00 C ATOM 966 CG TYR A 57 -4.969 9.854 3.302 1.00 0.00 C ATOM 967 CD1 TYR A 57 -6.238 10.416 3.574 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.942 10.673 2.791 1.00 0.00 C ATOM 969 CE1 TYR A 57 -6.484 11.777 3.303 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.186 12.035 2.526 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.461 12.587 2.766 1.00 0.00 C ATOM 972 OH TYR A 57 -5.693 13.899 2.485 1.00 0.00 O ATOM 0 H TYR A 57 -6.419 7.052 1.771 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.572 7.869 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.525 7.960 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.807 8.297 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.021 9.800 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.964 10.255 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.456 12.200 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.394 12.658 2.138 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.878 14.305 2.123 1.00 0.00 H new ATOM 982 N ILE A 58 -3.149 5.428 2.216 1.00 0.00 N ATOM 983 CA ILE A 58 -2.723 4.103 2.693 1.00 0.00 C ATOM 984 C ILE A 58 -1.787 4.340 3.874 1.00 0.00 C ATOM 985 O ILE A 58 -0.617 4.673 3.678 1.00 0.00 O ATOM 986 CB ILE A 58 -2.081 3.243 1.574 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.057 2.856 0.437 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.530 1.931 2.170 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.340 3.968 -0.577 1.00 0.00 C ATOM 0 H ILE A 58 -2.520 5.840 1.527 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.586 3.517 3.011 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.295 3.867 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.650 1.995 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.001 2.540 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.081 1.332 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.776 2.162 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.344 1.371 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.034 3.602 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.780 4.824 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.408 4.271 -1.055 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.307 4.210 5.097 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.519 4.311 6.332 1.00 0.00 C ATOM 1003 C LYS A 59 -1.165 2.936 6.907 1.00 0.00 C ATOM 1004 O LYS A 59 -1.971 2.007 6.912 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.219 5.232 7.344 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.490 6.610 6.715 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.624 7.730 7.751 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.848 9.052 7.008 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.936 10.199 7.939 1.00 0.00 N ATOM 0 H LYS A 59 -3.297 4.030 5.261 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.562 4.773 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.157 4.782 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.598 5.346 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.680 6.854 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.405 6.559 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.458 7.527 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.726 7.788 8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.031 9.217 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.765 8.989 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.088 11.074 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.731 10.054 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.051 10.275 8.480 1.00 0.00 H new ATOM 1023 N LEU A 60 0.064 2.820 7.395 1.00 0.00 N ATOM 1024 CA LEU A 60 0.621 1.639 8.058 1.00 0.00 C ATOM 1025 C LEU A 60 0.833 1.928 9.548 1.00 0.00 C ATOM 1026 O LEU A 60 1.392 2.965 9.904 1.00 0.00 O ATOM 1027 CB LEU A 60 1.933 1.244 7.357 1.00 0.00 C ATOM 1028 CG LEU A 60 1.781 0.133 6.306 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.757 0.431 5.209 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.129 -0.082 5.626 1.00 0.00 C ATOM 0 H LEU A 60 0.737 3.585 7.338 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.072 0.801 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.354 2.127 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.650 0.919 8.111 1.00 0.00 H new ATOM 0 HG LEU A 60 1.427 -0.744 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.716 -0.406 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.225 0.578 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.050 1.334 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.037 -0.868 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.445 0.843 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.869 -0.375 6.370 1.00 0.00 H new ATOM 1042 N GLU A 61 0.404 1.017 10.420 1.00 0.00 N ATOM 1043 CA GLU A 61 0.376 1.221 11.876 1.00 0.00 C ATOM 1044 C GLU A 61 0.919 0.022 12.660 1.00 0.00 C ATOM 1045 O GLU A 61 0.810 -1.126 12.232 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.050 1.497 12.359 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.732 2.740 11.785 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.118 2.966 12.419 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.659 2.073 13.123 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.718 4.037 12.184 1.00 0.00 O ATOM 0 H GLU A 61 0.060 0.100 10.135 1.00 0.00 H new ATOM 0 HA GLU A 61 1.022 2.079 12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.665 0.629 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.032 1.588 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.104 3.614 11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.837 2.633 10.705 1.00 0.00 H new ATOM 1057 N ASP A 62 1.485 0.270 13.840 1.00 0.00 N ATOM 1058 CA ASP A 62 2.070 -0.763 14.684 1.00 0.00 C ATOM 1059 C ASP A 62 0.998 -1.639 15.354 1.00 0.00 C ATOM 1060 O ASP A 62 -0.071 -1.168 15.761 1.00 0.00 O ATOM 1061 CB ASP A 62 2.978 -0.088 15.709 1.00 0.00 C ATOM 1062 CG ASP A 62 3.940 -1.089 16.344 1.00 0.00 C ATOM 1063 OD1 ASP A 62 5.081 -1.244 15.853 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.511 -1.740 17.320 1.00 0.00 O ATOM 0 H ASP A 62 1.549 1.206 14.239 1.00 0.00 H new ATOM 0 HA ASP A 62 2.659 -1.443 14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.545 0.708 15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.370 0.378 16.485 1.00 0.00 H new ATOM 1069 N LYS A 63 1.312 -2.928 15.491 1.00 0.00 N ATOM 1070 CA LYS A 63 0.456 -3.975 16.076 1.00 0.00 C ATOM 1071 C LYS A 63 0.509 -4.081 17.603 1.00 0.00 C ATOM 1072 O LYS A 63 -0.286 -4.818 18.187 1.00 0.00 O ATOM 1073 CB LYS A 63 0.746 -5.325 15.383 1.00 0.00 C ATOM 1074 CG LYS A 63 2.251 -5.627 15.271 1.00 0.00 C ATOM 1075 CD LYS A 63 2.534 -7.017 14.697 1.00 0.00 C ATOM 1076 CE LYS A 63 3.995 -7.073 14.234 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.331 -8.371 13.596 1.00 0.00 N ATOM 0 H LYS A 63 2.213 -3.294 15.184 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.574 -3.677 15.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.260 -6.126 15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.306 -5.318 14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.722 -4.875 14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.708 -5.546 16.257 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.348 -7.782 15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.865 -7.224 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.182 -6.264 13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.652 -6.909 15.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.011 -8.213 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.751 -9.007 14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.466 -8.803 13.212 1.00 0.00 H new ATOM 1091 N VAL A 64 1.402 -3.331 18.245 1.00 0.00 N ATOM 1092 CA VAL A 64 1.577 -3.284 19.703 1.00 0.00 C ATOM 1093 C VAL A 64 1.414 -1.862 20.240 1.00 0.00 C ATOM 1094 O VAL A 64 0.717 -1.666 21.238 1.00 0.00 O ATOM 1095 CB VAL A 64 2.955 -3.865 20.081 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.253 -3.760 21.582 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.063 -5.347 19.691 1.00 0.00 C ATOM 0 H VAL A 64 2.049 -2.716 17.751 1.00 0.00 H new ATOM 0 HA VAL A 64 0.799 -3.892 20.165 1.00 0.00 H new ATOM 0 HB VAL A 64 3.679 -3.266 19.528 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.235 -4.185 21.788 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.240 -2.713 21.883 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.496 -4.308 22.142 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.046 -5.726 19.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.293 -5.917 20.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.927 -5.451 18.614 1.00 0.00 H new ATOM 1107 N SER A 65 2.007 -0.861 19.578 1.00 0.00 N ATOM 1108 CA SER A 65 2.006 0.530 20.061 1.00 0.00 C ATOM 1109 C SER A 65 0.867 1.373 19.479 1.00 0.00 C ATOM 1110 O SER A 65 0.498 2.397 20.055 1.00 0.00 O ATOM 1111 CB SER A 65 3.353 1.195 19.759 1.00 0.00 C ATOM 1112 OG SER A 65 4.404 0.534 20.449 1.00 0.00 O ATOM 0 H SER A 65 2.500 -0.989 18.695 1.00 0.00 H new ATOM 0 HA SER A 65 1.844 0.483 21.138 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.544 1.171 18.686 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.321 2.244 20.054 1.00 0.00 H new ATOM 0 HG SER A 65 5.256 0.971 20.243 1.00 0.00 H new ATOM 1118 N GLY A 66 0.310 0.962 18.332 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.751 1.691 17.621 1.00 0.00 C ATOM 1120 C GLY A 66 -0.248 2.911 16.837 1.00 0.00 C ATOM 1121 O GLY A 66 -1.047 3.679 16.301 1.00 0.00 O ATOM 0 H GLY A 66 0.588 0.100 17.864 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.249 1.008 16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.500 2.018 18.342 1.00 0.00 H new ATOM 1125 N GLU A 67 1.071 3.104 16.782 1.00 0.00 N ATOM 1126 CA GLU A 67 1.731 4.276 16.202 1.00 0.00 C ATOM 1127 C GLU A 67 1.865 4.187 14.673 1.00 0.00 C ATOM 1128 O GLU A 67 1.920 3.094 14.107 1.00 0.00 O ATOM 1129 CB GLU A 67 3.078 4.499 16.912 1.00 0.00 C ATOM 1130 CG GLU A 67 4.169 3.474 16.568 1.00 0.00 C ATOM 1131 CD GLU A 67 5.471 3.789 17.330 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.323 4.545 16.803 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.652 3.285 18.464 1.00 0.00 O ATOM 0 H GLU A 67 1.734 2.424 17.154 1.00 0.00 H new ATOM 0 HA GLU A 67 1.103 5.151 16.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.444 5.495 16.661 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.911 4.483 17.989 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.826 2.471 16.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.358 3.483 15.495 1.00 0.00 H new ATOM 1140 N LEU A 68 1.936 5.337 14.000 1.00 0.00 N ATOM 1141 CA LEU A 68 2.090 5.427 12.544 1.00 0.00 C ATOM 1142 C LEU A 68 3.523 5.054 12.113 1.00 0.00 C ATOM 1143 O LEU A 68 4.493 5.661 12.574 1.00 0.00 O ATOM 1144 CB LEU A 68 1.708 6.855 12.101 1.00 0.00 C ATOM 1145 CG LEU A 68 1.688 7.078 10.575 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.498 6.387 9.912 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.576 8.571 10.269 1.00 0.00 C ATOM 0 H LEU A 68 1.887 6.247 14.457 1.00 0.00 H new ATOM 0 HA LEU A 68 1.428 4.713 12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.722 7.092 12.501 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.411 7.558 12.547 1.00 0.00 H new ATOM 0 HG LEU A 68 2.615 6.659 10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.523 6.570 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.550 5.314 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.429 6.783 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.562 8.721 9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.655 8.963 10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.430 9.095 10.698 1.00 0.00 H new ATOM 1159 N PHE A 69 3.655 4.099 11.189 1.00 0.00 N ATOM 1160 CA PHE A 69 4.916 3.762 10.518 1.00 0.00 C ATOM 1161 C PHE A 69 5.145 4.655 9.289 1.00 0.00 C ATOM 1162 O PHE A 69 6.167 5.339 9.201 1.00 0.00 O ATOM 1163 CB PHE A 69 4.922 2.269 10.148 1.00 0.00 C ATOM 1164 CG PHE A 69 6.069 1.856 9.239 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.837 1.588 7.875 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.380 1.776 9.747 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.909 1.263 7.024 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.449 1.427 8.900 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.212 1.172 7.538 1.00 0.00 C ATOM 0 H PHE A 69 2.871 3.525 10.879 1.00 0.00 H new ATOM 0 HA PHE A 69 5.744 3.949 11.202 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.969 1.680 11.064 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.979 2.024 9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.832 1.632 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.566 1.983 10.790 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.729 1.083 5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.451 1.355 9.297 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.032 0.906 6.887 1.00 0.00 H new ATOM 1179 N ALA A 70 4.183 4.671 8.359 1.00 0.00 N ATOM 1180 CA ALA A 70 4.229 5.456 7.124 1.00 0.00 C ATOM 1181 C ALA A 70 2.820 5.723 6.562 1.00 0.00 C ATOM 1182 O ALA A 70 1.854 5.051 6.930 1.00 0.00 O ATOM 1183 CB ALA A 70 5.087 4.700 6.100 1.00 0.00 C ATOM 0 H ALA A 70 3.328 4.122 8.449 1.00 0.00 H new ATOM 0 HA ALA A 70 4.670 6.430 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.133 5.270 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.094 4.569 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.644 3.724 5.904 1.00 0.00 H new ATOM 1189 N GLN A 71 2.712 6.687 5.644 1.00 0.00 N ATOM 1190 CA GLN A 71 1.468 7.055 4.957 1.00 0.00 C ATOM 1191 C GLN A 71 1.709 7.380 3.474 1.00 0.00 C ATOM 1192 O GLN A 71 2.653 8.097 3.148 1.00 0.00 O ATOM 1193 CB GLN A 71 0.796 8.238 5.680 1.00 0.00 C ATOM 1194 CG GLN A 71 1.748 9.410 5.984 1.00 0.00 C ATOM 1195 CD GLN A 71 1.029 10.752 6.049 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.012 10.924 6.711 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.529 11.744 5.343 1.00 0.00 N ATOM 0 H GLN A 71 3.510 7.250 5.349 1.00 0.00 H new ATOM 0 HA GLN A 71 0.798 6.196 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.029 8.603 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.365 7.881 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.252 9.226 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.520 9.453 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.375 11.602 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.070 12.655 5.347 1.00 0.00 H new ATOM 1206 N ALA A 72 0.851 6.892 2.575 1.00 0.00 N ATOM 1207 CA ALA A 72 0.900 7.169 1.135 1.00 0.00 C ATOM 1208 C ALA A 72 -0.410 7.821 0.635 1.00 0.00 C ATOM 1209 O ALA A 72 -1.433 7.132 0.557 1.00 0.00 O ATOM 1210 CB ALA A 72 1.217 5.864 0.394 1.00 0.00 C ATOM 0 H ALA A 72 0.081 6.276 2.835 1.00 0.00 H new ATOM 0 HA ALA A 72 1.689 7.893 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.257 6.055 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.180 5.480 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.440 5.129 0.603 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.410 9.128 0.300 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.554 9.807 -0.306 1.00 0.00 C ATOM 1218 C PRO A 73 -1.701 9.464 -1.799 1.00 0.00 C ATOM 1219 O PRO A 73 -0.723 9.468 -2.549 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.309 11.301 -0.078 1.00 0.00 C ATOM 1221 CG PRO A 73 0.215 11.409 -0.073 1.00 0.00 C ATOM 1222 CD PRO A 73 0.658 10.086 0.553 1.00 0.00 C ATOM 0 HA PRO A 73 -2.493 9.487 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.753 11.907 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.740 11.640 0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.613 11.531 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.556 12.264 0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.596 9.745 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.829 10.202 1.623 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.937 9.206 -2.232 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.338 8.817 -3.596 1.00 0.00 C ATOM 1232 C VAL A 74 -4.454 9.755 -4.068 1.00 0.00 C ATOM 1233 O VAL A 74 -5.518 9.805 -3.456 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.818 7.346 -3.610 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.357 6.917 -4.981 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.711 6.354 -3.234 1.00 0.00 C ATOM 0 H VAL A 74 -3.739 9.265 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.487 8.900 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.612 7.318 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.680 5.877 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.203 7.548 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.571 7.020 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.107 5.339 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.888 6.441 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.350 6.576 -2.230 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.237 10.498 -5.157 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.193 11.515 -5.648 1.00 0.00 C ATOM 1248 C GLU A 75 -6.257 10.959 -6.617 1.00 0.00 C ATOM 1249 O GLU A 75 -7.286 11.594 -6.852 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.423 12.674 -6.305 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.547 13.440 -5.305 1.00 0.00 C ATOM 1252 CD GLU A 75 -2.862 14.641 -5.986 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -1.734 14.482 -6.515 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.440 15.755 -5.996 1.00 0.00 O ATOM 0 H GLU A 75 -3.396 10.417 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.743 11.870 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.796 12.282 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.132 13.363 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.158 13.788 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.792 12.772 -4.890 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.014 9.776 -7.189 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.954 9.000 -8.011 1.00 0.00 C ATOM 1263 C GLN A 76 -6.493 7.537 -8.094 1.00 0.00 C ATOM 1264 O GLN A 76 -5.286 7.283 -8.045 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.120 9.610 -9.423 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.952 9.444 -10.416 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.657 10.137 -9.994 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.398 11.289 -10.316 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.792 9.464 -9.265 1.00 0.00 N ATOM 0 H GLN A 76 -5.113 9.309 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.932 9.036 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.010 9.172 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.313 10.676 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.753 8.381 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.259 9.835 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.995 8.503 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.918 9.903 -8.975 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.419 6.590 -8.261 1.00 0.00 N ATOM 1279 CA TYR A 77 -7.111 5.159 -8.338 1.00 0.00 C ATOM 1280 C TYR A 77 -7.466 4.538 -9.706 1.00 0.00 C ATOM 1281 O TYR A 77 -8.601 4.708 -10.163 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.804 4.408 -7.195 1.00 0.00 C ATOM 1283 CG TYR A 77 -7.218 3.030 -6.982 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.815 1.883 -7.536 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -6.013 2.922 -6.272 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.194 0.626 -7.382 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -5.370 1.677 -6.143 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.961 0.523 -6.696 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.331 -0.676 -6.582 1.00 0.00 O ATOM 0 H TYR A 77 -8.414 6.797 -8.348 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.031 5.057 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.714 4.986 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.868 4.319 -7.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.746 1.965 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.576 3.801 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.660 -0.259 -7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.427 1.606 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.497 -0.561 -6.081 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.550 3.778 -10.343 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.121 3.663 -10.024 1.00 0.00 C ATOM 1301 C PRO A 78 -4.357 4.986 -10.231 1.00 0.00 C ATOM 1302 O PRO A 78 -4.729 5.801 -11.079 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.574 2.556 -10.938 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.819 1.766 -11.340 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.882 2.858 -11.420 1.00 0.00 C ATOM 0 HA PRO A 78 -4.986 3.422 -8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.065 2.971 -11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.852 1.927 -10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.687 1.256 -12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.073 1.004 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.863 3.359 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.883 2.446 -11.294 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.279 5.190 -9.467 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.379 6.350 -9.566 1.00 0.00 C ATOM 1315 C GLY A 79 -0.894 5.967 -9.594 1.00 0.00 C ATOM 1316 O GLY A 79 -0.545 4.808 -9.816 1.00 0.00 O ATOM 0 H GLY A 79 -2.998 4.533 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.619 6.911 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.560 7.014 -8.721 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.012 6.938 -9.334 1.00 0.00 N ATOM 1321 CA ILE A 80 1.435 6.698 -9.143 1.00 0.00 C ATOM 1322 C ILE A 80 1.758 6.180 -7.733 1.00 0.00 C ATOM 1323 O ILE A 80 2.643 5.345 -7.563 1.00 0.00 O ATOM 1324 CB ILE A 80 2.260 7.963 -9.491 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.772 7.660 -9.359 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.856 9.179 -8.632 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.706 8.745 -9.901 1.00 0.00 C ATOM 0 H ILE A 80 -0.276 7.919 -9.248 1.00 0.00 H new ATOM 0 HA ILE A 80 1.725 5.909 -9.837 1.00 0.00 H new ATOM 0 HB ILE A 80 2.042 8.230 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.003 7.498 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.986 6.726 -9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.462 10.040 -8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.803 9.407 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.017 8.950 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.742 8.436 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.512 8.895 -10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.530 9.678 -9.365 1.00 0.00 H new ATOM 1339 N ALA A 81 1.024 6.634 -6.713 1.00 0.00 N ATOM 1340 CA ALA A 81 1.303 6.356 -5.302 1.00 0.00 C ATOM 1341 C ALA A 81 0.798 4.981 -4.833 1.00 0.00 C ATOM 1342 O ALA A 81 0.798 4.701 -3.636 1.00 0.00 O ATOM 1343 CB ALA A 81 0.779 7.540 -4.482 1.00 0.00 C ATOM 0 H ALA A 81 0.200 7.219 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 81 2.379 6.271 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.972 7.363 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.286 8.453 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.294 7.647 -4.642 1.00 0.00 H new ATOM 1349 N VAL A 82 0.401 4.125 -5.777 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.110 2.770 -5.561 1.00 0.00 C ATOM 1351 C VAL A 82 0.086 1.908 -6.813 1.00 0.00 C ATOM 1352 O VAL A 82 -0.057 2.385 -7.937 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.586 2.807 -5.136 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.497 3.403 -6.214 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.041 1.422 -4.663 1.00 0.00 C ATOM 0 H VAL A 82 0.429 4.372 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 82 0.460 2.314 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.673 3.487 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.528 3.404 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.186 4.425 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.426 2.804 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.089 1.465 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.924 0.704 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.435 1.111 -3.812 1.00 0.00 H new ATOM 1365 N GLU A 83 0.427 0.636 -6.624 1.00 0.00 N ATOM 1366 CA GLU A 83 0.746 -0.310 -7.704 1.00 0.00 C ATOM 1367 C GLU A 83 0.613 -1.786 -7.288 1.00 0.00 C ATOM 1368 O GLU A 83 0.663 -2.117 -6.105 1.00 0.00 O ATOM 1369 CB GLU A 83 2.180 -0.057 -8.226 1.00 0.00 C ATOM 1370 CG GLU A 83 2.164 0.324 -9.709 1.00 0.00 C ATOM 1371 CD GLU A 83 3.581 0.323 -10.298 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.358 1.279 -10.063 1.00 0.00 O ATOM 1373 OE2 GLU A 83 3.938 -0.632 -11.024 1.00 0.00 O ATOM 0 H GLU A 83 0.492 0.219 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 83 0.012 -0.131 -8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.646 0.740 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.786 -0.952 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.538 -0.377 -10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.718 1.312 -9.829 1.00 0.00 H new ATOM 1380 N THR A 84 0.504 -2.680 -8.273 1.00 0.00 N ATOM 1381 CA THR A 84 0.472 -4.152 -8.142 1.00 0.00 C ATOM 1382 C THR A 84 1.744 -4.800 -8.705 1.00 0.00 C ATOM 1383 O THR A 84 2.451 -4.219 -9.534 1.00 0.00 O ATOM 1384 CB THR A 84 -0.742 -4.740 -8.890 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.877 -4.165 -10.176 1.00 0.00 O ATOM 1386 CG2 THR A 84 -2.045 -4.500 -8.133 1.00 0.00 C ATOM 0 H THR A 84 0.431 -2.385 -9.247 1.00 0.00 H new ATOM 0 HA THR A 84 0.400 -4.370 -7.076 1.00 0.00 H new ATOM 0 HB THR A 84 -0.558 -5.811 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.653 -4.556 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.876 -4.929 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.988 -4.971 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.204 -3.428 -8.013 1.00 0.00 H new ATOM 1394 N VAL A 85 2.024 -6.035 -8.278 1.00 0.00 N ATOM 1395 CA VAL A 85 3.018 -6.931 -8.897 1.00 0.00 C ATOM 1396 C VAL A 85 2.408 -7.711 -10.079 1.00 0.00 C ATOM 1397 O VAL A 85 1.201 -7.645 -10.329 1.00 0.00 O ATOM 1398 CB VAL A 85 3.590 -7.906 -7.854 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.230 -7.140 -6.697 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.521 -8.854 -7.318 1.00 0.00 C ATOM 0 H VAL A 85 1.557 -6.454 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 85 3.829 -6.313 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 85 4.351 -8.504 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.629 -7.847 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.038 -6.515 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.480 -6.511 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.966 -9.526 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.726 -8.276 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.107 -9.437 -8.140 1.00 0.00 H new ATOM 1410 N THR A 86 3.220 -8.507 -10.775 1.00 0.00 N ATOM 1411 CA THR A 86 2.797 -9.365 -11.900 1.00 0.00 C ATOM 1412 C THR A 86 2.416 -10.785 -11.474 1.00 0.00 C ATOM 1413 O THR A 86 1.531 -11.395 -12.076 1.00 0.00 O ATOM 1414 CB THR A 86 3.910 -9.462 -12.955 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.051 -10.087 -12.410 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.356 -8.092 -13.452 1.00 0.00 C ATOM 0 H THR A 86 4.217 -8.580 -10.573 1.00 0.00 H new ATOM 0 HA THR A 86 1.908 -8.887 -12.312 1.00 0.00 H new ATOM 0 HB THR A 86 3.492 -10.036 -13.782 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.751 -10.143 -13.094 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.144 -8.213 -14.196 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.509 -7.575 -13.902 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.735 -7.507 -12.614 1.00 0.00 H new ATOM 1424 N ASP A 87 3.085 -11.328 -10.450 1.00 0.00 N ATOM 1425 CA ASP A 87 3.088 -12.770 -10.170 1.00 0.00 C ATOM 1426 C ASP A 87 1.997 -13.214 -9.184 1.00 0.00 C ATOM 1427 O ASP A 87 1.366 -14.253 -9.400 1.00 0.00 O ATOM 1428 CB ASP A 87 4.475 -13.177 -9.662 1.00 0.00 C ATOM 1429 CG ASP A 87 4.605 -14.705 -9.538 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.826 -15.377 -10.573 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.487 -15.238 -8.408 1.00 0.00 O ATOM 0 H ASP A 87 3.640 -10.781 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 87 2.857 -13.280 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.238 -12.800 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.658 -12.715 -8.692 1.00 0.00 H new ATOM 1436 N SER A 88 1.762 -12.437 -8.118 1.00 0.00 N ATOM 1437 CA SER A 88 0.788 -12.809 -7.065 1.00 0.00 C ATOM 1438 C SER A 88 -0.032 -11.638 -6.515 1.00 0.00 C ATOM 1439 O SER A 88 0.507 -10.600 -6.141 1.00 0.00 O ATOM 1440 CB SER A 88 1.496 -13.549 -5.925 1.00 0.00 C ATOM 1441 OG SER A 88 0.558 -13.906 -4.922 1.00 0.00 O ATOM 0 H SER A 88 2.230 -11.545 -7.956 1.00 0.00 H new ATOM 0 HA SER A 88 0.067 -13.467 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.987 -14.443 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.274 -12.917 -5.498 1.00 0.00 H new ATOM 0 HG SER A 88 1.018 -14.380 -4.198 1.00 0.00 H new ATOM 1447 N SER A 89 -1.353 -11.817 -6.406 1.00 0.00 N ATOM 1448 CA SER A 89 -2.313 -10.756 -6.046 1.00 0.00 C ATOM 1449 C SER A 89 -2.146 -10.180 -4.630 1.00 0.00 C ATOM 1450 O SER A 89 -2.761 -9.158 -4.325 1.00 0.00 O ATOM 1451 CB SER A 89 -3.756 -11.265 -6.181 1.00 0.00 C ATOM 1452 OG SER A 89 -3.919 -12.090 -7.326 1.00 0.00 O ATOM 0 H SER A 89 -1.798 -12.720 -6.568 1.00 0.00 H new ATOM 0 HA SER A 89 -2.098 -9.950 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.029 -11.826 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.437 -10.416 -6.245 1.00 0.00 H new ATOM 0 HG SER A 89 -4.779 -11.892 -7.752 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.348 -10.815 -3.754 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.198 -10.422 -2.341 1.00 0.00 C ATOM 1460 C ARG A 90 -0.099 -9.387 -2.055 1.00 0.00 C ATOM 1461 O ARG A 90 0.268 -9.205 -0.894 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.215 -11.656 -1.415 1.00 0.00 C ATOM 1463 CG ARG A 90 0.117 -12.410 -1.316 1.00 0.00 C ATOM 1464 CD ARG A 90 0.041 -13.588 -0.334 1.00 0.00 C ATOM 1465 NE ARG A 90 1.373 -14.193 -0.155 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.709 -15.218 0.606 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.928 -15.669 0.556 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.882 -15.812 1.417 1.00 0.00 N ATOM 0 H ARG A 90 -0.783 -11.625 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.086 -9.843 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.510 -11.337 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.981 -12.346 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.399 -12.778 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.900 -11.722 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.342 -13.245 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.658 -14.336 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 90 2.131 -13.765 -0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.609 -15.231 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.203 -16.460 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.083 -15.489 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.199 -16.600 1.981 1.00 0.00 H new ATOM 1482 N TYR A 91 0.419 -8.712 -3.086 1.00 0.00 N ATOM 1483 CA TYR A 91 1.556 -7.802 -2.990 1.00 0.00 C ATOM 1484 C TYR A 91 1.315 -6.501 -3.770 1.00 0.00 C ATOM 1485 O TYR A 91 0.846 -6.524 -4.913 1.00 0.00 O ATOM 1486 CB TYR A 91 2.811 -8.513 -3.501 1.00 0.00 C ATOM 1487 CG TYR A 91 3.182 -9.781 -2.756 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.923 -9.696 -1.563 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.795 -11.040 -3.256 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.271 -10.866 -0.863 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.180 -12.215 -2.583 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.912 -12.130 -1.380 1.00 0.00 C ATOM 1493 OH TYR A 91 4.240 -13.268 -0.707 1.00 0.00 O ATOM 0 H TYR A 91 0.047 -8.788 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 91 1.689 -7.524 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.668 -8.758 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.650 -7.819 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.225 -8.731 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.202 -11.104 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.812 -10.797 0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.915 -13.181 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 91 4.268 -13.083 0.255 1.00 0.00 H new ATOM 1503 N PHE A 92 1.674 -5.368 -3.161 1.00 0.00 N ATOM 1504 CA PHE A 92 1.493 -4.021 -3.711 1.00 0.00 C ATOM 1505 C PHE A 92 2.720 -3.140 -3.463 1.00 0.00 C ATOM 1506 O PHE A 92 3.508 -3.406 -2.560 1.00 0.00 O ATOM 1507 CB PHE A 92 0.261 -3.350 -3.082 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.016 -4.152 -3.196 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.491 -4.857 -2.077 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.718 -4.209 -4.412 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.671 -5.609 -2.168 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.884 -4.989 -4.512 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.363 -5.687 -3.390 1.00 0.00 C ATOM 0 H PHE A 92 2.113 -5.362 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 92 1.352 -4.127 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.464 -3.162 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.110 -2.380 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.946 -4.820 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.363 -3.655 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.049 -6.128 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.412 -5.052 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.261 -6.282 -3.466 1.00 0.00 H new ATOM 1523 N VAL A 93 2.852 -2.056 -4.222 1.00 0.00 N ATOM 1524 CA VAL A 93 3.784 -0.953 -3.944 1.00 0.00 C ATOM 1525 C VAL A 93 2.984 0.306 -3.643 1.00 0.00 C ATOM 1526 O VAL A 93 1.957 0.529 -4.279 1.00 0.00 O ATOM 1527 CB VAL A 93 4.767 -0.747 -5.112 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.676 0.478 -4.946 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.655 -1.985 -5.246 1.00 0.00 C ATOM 0 H VAL A 93 2.303 -1.911 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 93 4.390 -1.198 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 93 4.157 -0.582 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.340 0.558 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.065 1.378 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.270 0.370 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.353 -1.845 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.212 -2.135 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.034 -2.859 -5.441 1.00 0.00 H new ATOM 1539 N ILE A 94 3.443 1.144 -2.710 1.00 0.00 N ATOM 1540 CA ILE A 94 2.880 2.481 -2.489 1.00 0.00 C ATOM 1541 C ILE A 94 3.979 3.532 -2.297 1.00 0.00 C ATOM 1542 O ILE A 94 5.066 3.227 -1.797 1.00 0.00 O ATOM 1543 CB ILE A 94 1.834 2.536 -1.350 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.361 2.198 0.066 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.555 1.747 -1.665 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.567 0.711 0.396 1.00 0.00 C ATOM 0 H ILE A 94 4.216 0.916 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 94 2.335 2.725 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 94 1.581 3.596 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.313 2.711 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.665 2.614 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.137 1.826 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.087 2.155 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.805 0.699 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.938 0.613 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.618 0.183 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.291 0.282 -0.296 1.00 0.00 H new ATOM 1558 N ARG A 95 3.692 4.780 -2.688 1.00 0.00 N ATOM 1559 CA ARG A 95 4.608 5.924 -2.532 1.00 0.00 C ATOM 1560 C ARG A 95 4.326 6.657 -1.222 1.00 0.00 C ATOM 1561 O ARG A 95 3.511 7.578 -1.182 1.00 0.00 O ATOM 1562 CB ARG A 95 4.553 6.845 -3.764 1.00 0.00 C ATOM 1563 CG ARG A 95 5.765 7.786 -3.812 1.00 0.00 C ATOM 1564 CD ARG A 95 5.709 8.738 -5.014 1.00 0.00 C ATOM 1565 NE ARG A 95 4.778 9.868 -4.801 1.00 0.00 N ATOM 1566 CZ ARG A 95 4.594 10.891 -5.620 1.00 0.00 C ATOM 1567 NH1 ARG A 95 3.837 11.891 -5.276 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.165 10.952 -6.789 1.00 0.00 N ATOM 0 H ARG A 95 2.806 5.030 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 95 5.632 5.556 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.523 6.241 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.635 7.432 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.809 8.368 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.680 7.196 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.708 9.127 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.403 8.182 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 95 4.227 9.858 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.377 11.893 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.703 12.673 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.776 10.196 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.001 11.756 -7.395 1.00 0.00 H new ATOM 1582 N ILE A 96 4.987 6.245 -0.145 1.00 0.00 N ATOM 1583 CA ILE A 96 4.848 6.900 1.162 1.00 0.00 C ATOM 1584 C ILE A 96 5.519 8.283 1.158 1.00 0.00 C ATOM 1585 O ILE A 96 6.582 8.465 0.562 1.00 0.00 O ATOM 1586 CB ILE A 96 5.247 5.996 2.350 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.738 5.593 2.405 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.372 4.732 2.374 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.587 6.521 3.281 1.00 0.00 C ATOM 0 H ILE A 96 5.631 5.454 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 96 3.785 7.077 1.329 1.00 0.00 H new ATOM 0 HB ILE A 96 5.078 6.610 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.818 4.574 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.143 5.589 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.663 4.104 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.325 5.016 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.507 4.179 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.622 6.180 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.537 7.537 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.206 6.506 4.302 1.00 0.00 H new ATOM 1601 N GLN A 97 4.853 9.269 1.759 1.00 0.00 N ATOM 1602 CA GLN A 97 5.168 10.702 1.676 1.00 0.00 C ATOM 1603 C GLN A 97 4.863 11.408 3.004 1.00 0.00 C ATOM 1604 O GLN A 97 3.848 11.145 3.653 1.00 0.00 O ATOM 1605 CB GLN A 97 4.335 11.368 0.564 1.00 0.00 C ATOM 1606 CG GLN A 97 4.775 11.012 -0.865 1.00 0.00 C ATOM 1607 CD GLN A 97 3.652 11.189 -1.877 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.441 12.239 -2.461 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.916 10.144 -2.175 1.00 0.00 N ATOM 0 H GLN A 97 4.039 9.085 2.346 1.00 0.00 H new ATOM 0 HA GLN A 97 6.231 10.794 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.291 11.083 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.387 12.450 0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.620 11.640 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.123 9.979 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.075 9.256 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.185 10.220 -2.882 1.00 0.00 H new ATOM 1682 N SER A 103 9.409 11.697 -0.641 1.00 0.00 N ATOM 1683 CA SER A 103 8.759 10.459 -1.076 1.00 0.00 C ATOM 1684 C SER A 103 9.689 9.238 -1.081 1.00 0.00 C ATOM 1685 O SER A 103 10.903 9.359 -1.278 1.00 0.00 O ATOM 1686 CB SER A 103 8.128 10.642 -2.465 1.00 0.00 C ATOM 1687 OG SER A 103 9.108 10.936 -3.450 1.00 0.00 O ATOM 0 HA SER A 103 7.985 10.254 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.592 9.735 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.395 11.448 -2.429 1.00 0.00 H new ATOM 0 HG SER A 103 9.856 11.414 -3.035 1.00 0.00 H new ATOM 1693 N ALA A 104 9.109 8.050 -0.890 1.00 0.00 N ATOM 1694 CA ALA A 104 9.754 6.750 -1.091 1.00 0.00 C ATOM 1695 C ALA A 104 8.742 5.703 -1.580 1.00 0.00 C ATOM 1696 O ALA A 104 7.607 5.662 -1.106 1.00 0.00 O ATOM 1697 CB ALA A 104 10.417 6.307 0.221 1.00 0.00 C ATOM 0 H ALA A 104 8.141 7.964 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 104 10.518 6.845 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.899 5.340 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.164 7.043 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.660 6.223 1.001 1.00 0.00 H new ATOM 1703 N PHE A 105 9.147 4.831 -2.505 1.00 0.00 N ATOM 1704 CA PHE A 105 8.349 3.676 -2.926 1.00 0.00 C ATOM 1705 C PHE A 105 8.685 2.463 -2.048 1.00 0.00 C ATOM 1706 O PHE A 105 9.833 2.010 -2.019 1.00 0.00 O ATOM 1707 CB PHE A 105 8.570 3.383 -4.416 1.00 0.00 C ATOM 1708 CG PHE A 105 7.956 4.400 -5.364 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.717 5.479 -5.856 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.622 4.246 -5.789 1.00 0.00 C ATOM 1711 CE1 PHE A 105 8.156 6.382 -6.776 1.00 0.00 C ATOM 1712 CE2 PHE A 105 6.063 5.143 -6.717 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.833 6.207 -7.216 1.00 0.00 C ATOM 0 H PHE A 105 10.043 4.906 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 105 7.291 3.901 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.642 3.331 -4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.158 2.400 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.736 5.613 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.025 3.434 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.742 7.211 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.042 5.014 -7.046 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.408 6.890 -7.937 1.00 0.00 H new ATOM 1723 N ILE A 106 7.686 1.932 -1.339 1.00 0.00 N ATOM 1724 CA ILE A 106 7.807 0.733 -0.491 1.00 0.00 C ATOM 1725 C ILE A 106 6.896 -0.389 -0.996 1.00 0.00 C ATOM 1726 O ILE A 106 5.799 -0.123 -1.486 1.00 0.00 O ATOM 1727 CB ILE A 106 7.585 1.038 1.011 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.112 1.333 1.379 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.506 2.192 1.441 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.858 1.466 2.887 1.00 0.00 C ATOM 0 H ILE A 106 6.747 2.330 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 106 8.837 0.384 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 106 7.841 0.133 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.803 2.255 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.483 0.535 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.350 2.407 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.546 1.908 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.276 3.080 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.802 1.672 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.133 0.537 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.458 2.284 3.286 1.00 0.00 H new ATOM 1742 N GLY A 107 7.342 -1.638 -0.863 1.00 0.00 N ATOM 1743 CA GLY A 107 6.547 -2.824 -1.173 1.00 0.00 C ATOM 1744 C GLY A 107 5.868 -3.351 0.087 1.00 0.00 C ATOM 1745 O GLY A 107 6.484 -3.366 1.154 1.00 0.00 O ATOM 0 H GLY A 107 8.281 -1.857 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.796 -2.580 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.186 -3.597 -1.600 1.00 0.00 H new ATOM 1749 N ILE A 108 4.617 -3.790 -0.030 1.00 0.00 N ATOM 1750 CA ILE A 108 3.860 -4.457 1.033 1.00 0.00 C ATOM 1751 C ILE A 108 3.322 -5.813 0.577 1.00 0.00 C ATOM 1752 O ILE A 108 2.880 -5.966 -0.563 1.00 0.00 O ATOM 1753 CB ILE A 108 2.744 -3.576 1.639 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.680 -3.097 0.628 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.381 -2.405 2.397 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.466 -2.419 1.288 1.00 0.00 C ATOM 0 H ILE A 108 4.083 -3.689 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 108 4.572 -4.633 1.839 1.00 0.00 H new ATOM 0 HB ILE A 108 2.184 -4.206 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.142 -2.398 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.336 -3.950 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.598 -1.780 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.016 -2.790 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.983 -1.811 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.240 -2.108 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.020 -3.122 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.798 -1.546 1.850 1.00 0.00 H new ATOM 1768 N GLY A 109 3.344 -6.791 1.481 1.00 0.00 N ATOM 1769 CA GLY A 109 2.781 -8.127 1.293 1.00 0.00 C ATOM 1770 C GLY A 109 1.783 -8.502 2.387 1.00 0.00 C ATOM 1771 O GLY A 109 1.966 -8.163 3.561 1.00 0.00 O ATOM 0 H GLY A 109 3.771 -6.670 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.287 -8.176 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.589 -8.859 1.276 1.00 0.00 H new ATOM 1775 N PHE A 110 0.719 -9.193 1.982 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.396 -9.637 2.824 1.00 0.00 C ATOM 1777 C PHE A 110 -0.275 -11.129 3.175 1.00 0.00 C ATOM 1778 O PHE A 110 0.540 -11.862 2.610 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.716 -9.350 2.085 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.175 -7.903 2.081 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.403 -6.899 1.463 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.415 -7.566 2.660 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.849 -5.567 1.460 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.880 -6.240 2.619 1.00 0.00 C ATOM 1785 CZ PHE A 110 -3.091 -5.243 2.021 1.00 0.00 C ATOM 0 H PHE A 110 0.603 -9.474 1.008 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.375 -9.088 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.610 -9.680 1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.501 -9.958 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.466 -7.154 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.011 -8.330 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.234 -4.793 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.840 -5.989 3.045 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.444 -4.223 1.994 1.00 0.00 H new ATOM 1795 N THR A 111 -1.131 -11.596 4.087 1.00 0.00 N ATOM 1796 CA THR A 111 -1.221 -13.016 4.459 1.00 0.00 C ATOM 1797 C THR A 111 -1.818 -13.877 3.333 1.00 0.00 C ATOM 1798 O THR A 111 -1.328 -14.977 3.068 1.00 0.00 O ATOM 1799 CB THR A 111 -1.976 -13.166 5.793 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.885 -14.495 6.255 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.459 -12.785 5.741 1.00 0.00 C ATOM 0 H THR A 111 -1.786 -10.999 4.593 1.00 0.00 H new ATOM 0 HA THR A 111 -0.211 -13.397 4.606 1.00 0.00 H new ATOM 0 HB THR A 111 -1.489 -12.463 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.367 -14.580 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.905 -12.923 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.556 -11.741 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.972 -13.419 5.018 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.811 -13.366 2.593 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.493 -14.101 1.520 1.00 0.00 C ATOM 1811 C ASP A 112 -4.074 -13.172 0.437 1.00 0.00 C ATOM 1812 O ASP A 112 -4.420 -12.017 0.702 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.598 -14.980 2.133 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.157 -15.985 1.115 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.202 -15.691 0.491 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -4.520 -17.043 0.898 1.00 0.00 O ATOM 0 H ASP A 112 -3.167 -12.419 2.724 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.753 -14.726 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.200 -15.518 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.406 -14.346 2.499 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.229 -13.695 -0.787 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.829 -12.998 -1.946 1.00 0.00 C ATOM 1823 C ARG A 113 -6.250 -12.534 -1.663 1.00 0.00 C ATOM 1824 O ARG A 113 -6.619 -11.427 -2.042 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.851 -13.935 -3.166 1.00 0.00 C ATOM 1826 CG ARG A 113 -3.430 -14.335 -3.563 1.00 0.00 C ATOM 1827 CD ARG A 113 -3.376 -15.338 -4.724 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.881 -14.777 -5.995 1.00 0.00 N ATOM 1829 CZ ARG A 113 -4.280 -15.450 -7.059 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.669 -14.796 -8.112 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.298 -16.752 -7.105 1.00 0.00 N ATOM 0 H ARG A 113 -3.933 -14.645 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.214 -12.120 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -5.435 -14.826 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.342 -13.439 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.874 -13.440 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.928 -14.767 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.347 -15.670 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.963 -16.219 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.926 -13.760 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.664 -13.776 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.980 -15.303 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.995 -17.295 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.615 -17.228 -7.950 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.021 -13.353 -0.955 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.392 -13.051 -0.570 1.00 0.00 C ATOM 1847 C GLY A 114 -8.515 -11.960 0.507 1.00 0.00 C ATOM 1848 O GLY A 114 -9.599 -11.406 0.689 1.00 0.00 O ATOM 0 H GLY A 114 -6.702 -14.264 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.946 -12.737 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.865 -13.963 -0.204 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.412 -11.609 1.181 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.343 -10.476 2.120 1.00 0.00 C ATOM 1854 C ASP A 115 -6.766 -9.218 1.451 1.00 0.00 C ATOM 1855 O ASP A 115 -7.257 -8.111 1.680 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.542 -10.875 3.368 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.374 -11.772 4.302 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -7.097 -12.991 4.390 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.305 -11.251 4.960 1.00 0.00 O ATOM 0 H ASP A 115 -6.528 -12.110 1.090 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.357 -10.225 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.635 -11.400 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.229 -9.979 3.904 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.784 -9.386 0.560 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.262 -8.325 -0.301 1.00 0.00 C ATOM 1866 C ALA A 116 -6.285 -7.793 -1.311 1.00 0.00 C ATOM 1867 O ALA A 116 -6.249 -6.611 -1.634 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.064 -8.889 -1.046 1.00 0.00 C ATOM 0 H ALA A 116 -5.321 -10.283 0.416 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.996 -7.479 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.648 -8.122 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.306 -9.205 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.377 -9.745 -1.644 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.227 -8.612 -1.784 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.286 -8.130 -2.684 1.00 0.00 C ATOM 1876 C PHE A 117 -9.095 -6.958 -2.089 1.00 0.00 C ATOM 1877 O PHE A 117 -9.549 -6.080 -2.822 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.195 -9.288 -3.126 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.105 -9.544 -4.618 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -8.082 -10.364 -5.134 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.007 -8.916 -5.499 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.969 -10.565 -6.522 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.894 -9.117 -6.886 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.875 -9.942 -7.398 1.00 0.00 C ATOM 0 H PHE A 117 -7.281 -9.606 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.793 -7.729 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.918 -10.193 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.227 -9.061 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.383 -10.840 -4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.787 -8.279 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.187 -11.198 -6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.590 -8.638 -7.559 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.789 -10.096 -8.463 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.217 -6.885 -0.758 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.889 -5.782 -0.062 1.00 0.00 C ATOM 1896 C ASP A 118 -9.105 -4.453 -0.141 1.00 0.00 C ATOM 1897 O ASP A 118 -9.714 -3.385 -0.159 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.151 -6.220 1.389 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.223 -5.382 2.105 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.258 -5.035 1.489 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.056 -5.148 3.326 1.00 0.00 O ATOM 0 H ASP A 118 -8.848 -7.597 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.836 -5.572 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.458 -7.266 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.219 -6.159 1.951 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.772 -4.494 -0.283 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.922 -3.313 -0.504 1.00 0.00 C ATOM 1908 C PHE A 119 -7.267 -2.615 -1.830 1.00 0.00 C ATOM 1909 O PHE A 119 -7.562 -1.420 -1.854 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.441 -3.736 -0.442 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.426 -2.673 -0.809 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.100 -2.455 -2.160 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.773 -1.934 0.188 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.186 -1.450 -2.516 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.867 -0.922 -0.164 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.575 -0.674 -1.516 1.00 0.00 C ATOM 0 H PHE A 119 -7.244 -5.366 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.108 -2.583 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.225 -4.081 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.300 -4.588 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.555 -3.064 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.968 -2.144 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.953 -1.274 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.393 -0.332 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.883 0.110 -1.786 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.285 -3.364 -2.938 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.511 -2.793 -4.272 1.00 0.00 C ATOM 1928 C ASN A 120 -8.994 -2.532 -4.593 1.00 0.00 C ATOM 1929 O ASN A 120 -9.293 -1.665 -5.417 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.800 -3.643 -5.342 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.261 -5.089 -5.418 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.646 -5.983 -4.864 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.340 -5.376 -6.112 1.00 0.00 N ATOM 0 H ASN A 120 -7.145 -4.374 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.063 -1.799 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.951 -3.177 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.728 -3.628 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.658 -6.343 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.859 -4.632 -6.578 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.932 -3.239 -3.952 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.376 -2.980 -4.106 1.00 0.00 C ATOM 1942 C VAL A 121 -11.823 -1.774 -3.274 1.00 0.00 C ATOM 1943 O VAL A 121 -12.554 -0.928 -3.785 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.205 -4.243 -3.793 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.715 -3.974 -3.729 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.988 -5.304 -4.881 1.00 0.00 C ATOM 0 H VAL A 121 -9.717 -4.005 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.560 -2.726 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.862 -4.583 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.241 -4.902 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.921 -3.243 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.056 -3.586 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.579 -6.190 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.299 -4.904 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.932 -5.572 -4.922 1.00 0.00 H new ATOM 1956 N SER A 122 -11.361 -1.628 -2.027 1.00 0.00 N ATOM 1957 CA SER A 122 -11.766 -0.495 -1.174 1.00 0.00 C ATOM 1958 C SER A 122 -11.282 0.864 -1.698 1.00 0.00 C ATOM 1959 O SER A 122 -11.990 1.862 -1.550 1.00 0.00 O ATOM 1960 CB SER A 122 -11.291 -0.700 0.264 1.00 0.00 C ATOM 1961 OG SER A 122 -9.882 -0.693 0.328 1.00 0.00 O ATOM 0 H SER A 122 -10.709 -2.275 -1.584 1.00 0.00 H new ATOM 0 HA SER A 122 -12.856 -0.475 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.693 0.088 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.673 -1.646 0.647 1.00 0.00 H new ATOM 0 HG SER A 122 -9.543 -1.600 0.178 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.125 0.904 -2.374 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.622 2.098 -3.057 1.00 0.00 C ATOM 1969 C LEU A 123 -10.476 2.443 -4.287 1.00 0.00 C ATOM 1970 O LEU A 123 -11.006 3.552 -4.372 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.139 1.894 -3.423 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.174 1.984 -2.223 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.775 1.517 -2.624 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.050 3.421 -1.704 1.00 0.00 C ATOM 0 H LEU A 123 -9.507 0.097 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.696 2.951 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.024 0.918 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.853 2.642 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.587 1.346 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.108 1.587 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.820 0.483 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.398 2.148 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.362 3.445 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.671 4.063 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.029 3.778 -1.385 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.678 1.500 -5.216 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.429 1.775 -6.452 1.00 0.00 C ATOM 1988 C GLN A 124 -12.914 2.095 -6.189 1.00 0.00 C ATOM 1989 O GLN A 124 -13.501 2.924 -6.884 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.227 0.633 -7.466 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.126 -0.591 -7.266 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.717 -1.746 -8.175 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.372 -2.070 -9.157 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.613 -2.403 -7.891 1.00 0.00 N ATOM 0 H GLN A 124 -10.334 0.543 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.023 2.684 -6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.395 1.026 -8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.187 0.310 -7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.077 -0.912 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.162 -0.318 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.059 -2.141 -7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.311 -3.174 -8.487 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.510 1.514 -5.142 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.898 1.753 -4.745 1.00 0.00 C ATOM 2005 C ASP A 125 -15.069 3.050 -3.925 1.00 0.00 C ATOM 2006 O ASP A 125 -16.198 3.458 -3.647 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.439 0.518 -4.006 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.958 0.586 -3.761 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.717 0.861 -4.722 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.401 0.334 -2.616 1.00 0.00 O ATOM 0 H ASP A 125 -13.029 0.850 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.490 1.907 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.209 -0.376 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.926 0.419 -3.050 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.973 3.746 -3.594 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.026 5.131 -3.113 1.00 0.00 C ATOM 2017 C HIS A 126 -13.800 6.174 -4.221 1.00 0.00 C ATOM 2018 O HIS A 126 -14.169 7.334 -4.046 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.097 5.334 -1.908 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.513 6.528 -1.080 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.852 7.759 -1.009 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.660 6.603 -0.343 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.626 8.544 -0.236 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.710 7.873 0.185 1.00 0.00 N ATOM 0 H HIS A 126 -13.028 3.365 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.047 5.304 -2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.105 4.439 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.073 5.471 -2.256 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.388 5.817 -0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.405 9.572 0.011 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -15.443 8.241 0.791 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.273 5.770 -5.384 1.00 0.00 N ATOM 2033 CA PHE A 127 -13.020 6.642 -6.541 1.00 0.00 C ATOM 2034 C PHE A 127 -13.981 6.471 -7.729 1.00 0.00 C ATOM 2035 O PHE A 127 -13.914 7.284 -8.650 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.557 6.486 -6.982 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.572 7.238 -6.111 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.655 6.544 -5.303 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.551 8.646 -6.132 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.702 7.248 -4.550 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.607 9.352 -5.369 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.676 8.654 -4.583 1.00 0.00 C ATOM 0 H PHE A 127 -13.003 4.801 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.216 7.657 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.297 5.427 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.458 6.834 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.684 5.465 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.264 9.185 -6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.988 6.709 -3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.597 10.432 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.942 9.195 -4.005 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.905 5.496 -7.747 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.781 5.247 -8.920 1.00 0.00 C ATOM 2054 C LYS A 128 -16.599 6.455 -9.406 1.00 0.00 C ATOM 2055 O LYS A 128 -16.860 6.574 -10.602 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.651 3.986 -8.749 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.909 4.121 -7.874 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.577 4.250 -6.386 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.826 4.259 -5.504 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.462 2.918 -5.415 1.00 0.00 N ATOM 0 H LYS A 128 -15.070 4.863 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.078 5.059 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.961 3.651 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.027 3.198 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.477 4.995 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.548 3.252 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.932 3.423 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -17.014 5.169 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.559 4.600 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.545 4.974 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.060 2.873 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -20.047 2.754 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.724 2.187 -5.358 1.00 0.00 H new