USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 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 Single : A 16 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.024) USER MOD Single : A 19 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.0066) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 170:sc= -0.0313 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 37 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.16) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 41 THR OG1 : rot -170:sc= -0.0784 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 47 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 48 SER OG : rot -121:sc= -0.896 USER MOD Single : A 53 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 57 MET CE :methyl -162:sc= -0.214 (180deg=-0.924) USER MOD Single : A 58 SER OG : rot 74:sc= 1.03 USER MOD Single : A 60 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.1!) USER MOD Single : A 61 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 140:sc= -0.62 USER MOD Single : A 89 TYR OH : rot 74:sc= 0.812 USER MOD Single : A 90 GLN : amide:sc= -3.26 K(o=-3.3,f=-6.8!) USER MOD Single : A 94 CYS SG : rot -118:sc= 0.881 USER MOD Single : A 97 ASN : amide:sc= -9.9! C(o=-9.9!,f=-21!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc=-0.00497 (180deg=-0.00497) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 160:sc= -1.21 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 100:sc= -0.0562 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 18.039 -14.688 0.773 1.00 0.00 N ATOM 212 CA GLN A 16 16.878 -15.171 0.044 1.00 0.00 C ATOM 213 C GLN A 16 15.863 -14.041 -0.146 1.00 0.00 C ATOM 214 O GLN A 16 16.007 -12.968 0.438 1.00 0.00 O ATOM 215 CB GLN A 16 16.241 -16.365 0.757 1.00 0.00 C ATOM 216 CG GLN A 16 15.325 -15.902 1.892 1.00 0.00 C ATOM 217 CD GLN A 16 14.845 -17.090 2.729 1.00 0.00 C ATOM 218 OE1 GLN A 16 13.662 -17.295 2.942 1.00 0.00 O ATOM 219 NE2 GLN A 16 15.828 -17.858 3.190 1.00 0.00 N ATOM 0 HA GLN A 16 17.205 -15.509 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.669 -16.957 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.021 -17.013 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.858 -15.196 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.466 -15.373 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.798 -17.629 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.612 -18.676 3.760 1.00 0.00 H new ATOM 228 N LEU A 17 14.860 -14.321 -0.965 1.00 0.00 N ATOM 229 CA LEU A 17 13.822 -13.342 -1.239 1.00 0.00 C ATOM 230 C LEU A 17 13.005 -13.102 0.032 1.00 0.00 C ATOM 231 O LEU A 17 12.799 -14.019 0.825 1.00 0.00 O ATOM 232 CB LEU A 17 12.979 -13.778 -2.439 1.00 0.00 C ATOM 233 CG LEU A 17 13.643 -13.642 -3.811 1.00 0.00 C ATOM 234 CD1 LEU A 17 12.718 -14.146 -4.920 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.103 -12.204 -4.057 1.00 0.00 C ATOM 0 H LEU A 17 14.744 -15.212 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 17 14.264 -12.386 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.693 -14.820 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.059 -13.193 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 17 14.533 -14.271 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.214 -14.038 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.483 -15.196 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.797 -13.563 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.571 -12.135 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.243 -11.535 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.823 -11.916 -3.291 1.00 0.00 H new ATOM 247 N PRO A 18 12.550 -11.830 0.191 1.00 0.00 N ATOM 248 CA PRO A 18 11.760 -11.457 1.352 1.00 0.00 C ATOM 249 C PRO A 18 10.331 -11.991 1.237 1.00 0.00 C ATOM 250 O PRO A 18 10.046 -12.835 0.390 1.00 0.00 O ATOM 251 CB PRO A 18 11.825 -9.939 1.400 1.00 0.00 C ATOM 252 CG PRO A 18 12.256 -9.495 0.012 1.00 0.00 C ATOM 253 CD PRO A 18 12.775 -10.717 -0.728 1.00 0.00 C ATOM 0 HA PRO A 18 12.142 -11.888 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.856 -9.515 1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.535 -9.602 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.417 -9.052 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.031 -8.732 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.244 -10.866 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.832 -10.613 -0.972 1.00 0.00 H new ATOM 261 N HIS A 19 9.470 -11.476 2.103 1.00 0.00 N ATOM 262 CA HIS A 19 8.078 -11.890 2.109 1.00 0.00 C ATOM 263 C HIS A 19 7.177 -10.666 1.929 1.00 0.00 C ATOM 264 O HIS A 19 7.558 -9.553 2.288 1.00 0.00 O ATOM 265 CB HIS A 19 7.753 -12.684 3.376 1.00 0.00 C ATOM 266 CG HIS A 19 7.982 -14.171 3.245 1.00 0.00 C ATOM 267 ND1 HIS A 19 7.097 -15.112 3.741 1.00 0.00 N ATOM 268 CD2 HIS A 19 9.004 -14.868 2.669 1.00 0.00 C ATOM 269 CE1 HIS A 19 7.575 -16.318 3.470 1.00 0.00 C ATOM 270 NE2 HIS A 19 8.757 -16.165 2.807 1.00 0.00 N ATOM 0 H HIS A 19 9.710 -10.776 2.805 1.00 0.00 H new ATOM 0 HA HIS A 19 7.891 -12.561 1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.362 -12.304 4.197 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.711 -12.510 3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.867 -14.438 2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.110 -17.258 3.729 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.353 -16.922 2.472 1.00 0.00 H new ATOM 278 N ALA A 20 6.000 -10.914 1.374 1.00 0.00 N ATOM 279 CA ALA A 20 5.042 -9.846 1.142 1.00 0.00 C ATOM 280 C ALA A 20 4.599 -9.264 2.486 1.00 0.00 C ATOM 281 O ALA A 20 4.776 -9.894 3.528 1.00 0.00 O ATOM 282 CB ALA A 20 3.867 -10.383 0.323 1.00 0.00 C ATOM 0 H ALA A 20 5.688 -11.839 1.078 1.00 0.00 H new ATOM 0 HA ALA A 20 5.498 -9.039 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.149 -9.582 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.231 -10.758 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.383 -11.193 0.869 1.00 0.00 H new ATOM 288 N PRO A 21 4.015 -8.038 2.416 1.00 0.00 N ATOM 289 CA PRO A 21 3.545 -7.364 3.614 1.00 0.00 C ATOM 290 C PRO A 21 2.245 -7.992 4.122 1.00 0.00 C ATOM 291 O PRO A 21 1.295 -8.163 3.360 1.00 0.00 O ATOM 292 CB PRO A 21 3.382 -5.908 3.209 1.00 0.00 C ATOM 293 CG PRO A 21 3.319 -5.903 1.690 1.00 0.00 C ATOM 294 CD PRO A 21 3.788 -7.263 1.200 1.00 0.00 C ATOM 0 HA PRO A 21 4.241 -7.456 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.475 -5.482 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.218 -5.307 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.302 -5.705 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.950 -5.112 1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.039 -7.735 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.700 -7.178 0.609 1.00 0.00 H new ATOM 302 N GLU A 22 2.245 -8.318 5.406 1.00 0.00 N ATOM 303 CA GLU A 22 1.078 -8.923 6.025 1.00 0.00 C ATOM 304 C GLU A 22 0.181 -7.845 6.636 1.00 0.00 C ATOM 305 O GLU A 22 0.579 -6.685 6.733 1.00 0.00 O ATOM 306 CB GLU A 22 1.488 -9.956 7.077 1.00 0.00 C ATOM 307 CG GLU A 22 1.801 -11.306 6.428 1.00 0.00 C ATOM 308 CD GLU A 22 0.875 -12.399 6.964 1.00 0.00 C ATOM 309 OE1 GLU A 22 -0.337 -12.114 7.072 1.00 0.00 O ATOM 310 OE2 GLU A 22 1.400 -13.496 7.253 1.00 0.00 O ATOM 0 H GLU A 22 3.035 -8.175 6.035 1.00 0.00 H new ATOM 0 HA GLU A 22 0.512 -9.444 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.362 -9.599 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.686 -10.076 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.690 -11.228 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.839 -11.576 6.623 1.00 0.00 H new ATOM 317 N HIS A 23 -1.011 -8.265 7.031 1.00 0.00 N ATOM 318 CA HIS A 23 -1.968 -7.349 7.629 1.00 0.00 C ATOM 319 C HIS A 23 -2.029 -6.061 6.806 1.00 0.00 C ATOM 320 O HIS A 23 -1.911 -4.965 7.351 1.00 0.00 O ATOM 321 CB HIS A 23 -1.631 -7.097 9.100 1.00 0.00 C ATOM 322 CG HIS A 23 -2.427 -7.941 10.066 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.595 -7.497 10.663 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.213 -9.205 10.532 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.053 -8.459 11.451 1.00 0.00 C ATOM 326 NE2 HIS A 23 -3.195 -9.516 11.369 1.00 0.00 N ATOM 0 H HIS A 23 -1.337 -9.228 6.949 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.962 -7.795 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.569 -7.288 9.257 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.803 -6.045 9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.385 -9.845 10.265 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.949 -8.414 12.053 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.292 -10.400 11.869 1.00 0.00 H new ATOM 334 N PRO A 24 -2.219 -6.241 5.471 1.00 0.00 N ATOM 335 CA PRO A 24 -2.298 -5.106 4.567 1.00 0.00 C ATOM 336 C PRO A 24 -3.646 -4.394 4.698 1.00 0.00 C ATOM 337 O PRO A 24 -4.625 -4.789 4.068 1.00 0.00 O ATOM 338 CB PRO A 24 -2.067 -5.690 3.183 1.00 0.00 C ATOM 339 CG PRO A 24 -2.330 -7.182 3.310 1.00 0.00 C ATOM 340 CD PRO A 24 -2.364 -7.524 4.790 1.00 0.00 C ATOM 0 HA PRO A 24 -1.558 -4.338 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.736 -5.237 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.048 -5.501 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.275 -7.445 2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.550 -7.752 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.299 -8.013 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.558 -8.207 5.057 1.00 0.00 H new ATOM 348 N VAL A 25 -3.652 -3.355 5.520 1.00 0.00 N ATOM 349 CA VAL A 25 -4.863 -2.583 5.742 1.00 0.00 C ATOM 350 C VAL A 25 -4.834 -1.333 4.860 1.00 0.00 C ATOM 351 O VAL A 25 -3.781 -0.727 4.669 1.00 0.00 O ATOM 352 CB VAL A 25 -5.013 -2.261 7.230 1.00 0.00 C ATOM 353 CG1 VAL A 25 -4.167 -3.208 8.084 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.658 -0.801 7.514 1.00 0.00 C ATOM 0 H VAL A 25 -2.837 -3.030 6.041 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.742 -3.161 5.458 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.058 -2.410 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.292 -2.957 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.489 -4.236 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.117 -3.106 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.773 -0.599 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.626 -0.613 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.322 -0.148 6.947 1.00 0.00 H new ATOM 364 N ALA A 26 -6.004 -0.984 4.346 1.00 0.00 N ATOM 365 CA ALA A 26 -6.127 0.183 3.489 1.00 0.00 C ATOM 366 C ALA A 26 -7.382 0.967 3.879 1.00 0.00 C ATOM 367 O ALA A 26 -8.497 0.557 3.563 1.00 0.00 O ATOM 368 CB ALA A 26 -6.147 -0.258 2.025 1.00 0.00 C ATOM 0 H ALA A 26 -6.876 -1.489 4.507 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.271 0.845 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.239 0.618 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.222 -0.784 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.995 -0.922 1.857 1.00 0.00 H new ATOM 374 N THR A 27 -7.157 2.082 4.559 1.00 0.00 N ATOM 375 CA THR A 27 -8.256 2.927 4.995 1.00 0.00 C ATOM 376 C THR A 27 -8.043 4.366 4.519 1.00 0.00 C ATOM 377 O THR A 27 -6.911 4.783 4.280 1.00 0.00 O ATOM 378 CB THR A 27 -8.375 2.801 6.515 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.051 2.496 6.943 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.194 1.580 6.939 1.00 0.00 C ATOM 0 H THR A 27 -6.230 2.420 4.819 1.00 0.00 H new ATOM 0 HA THR A 27 -9.200 2.608 4.553 1.00 0.00 H new ATOM 0 HB THR A 27 -8.833 3.704 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.037 2.399 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.247 1.538 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.201 1.657 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.718 0.674 6.564 1.00 0.00 H new ATOM 388 N LEU A 28 -9.150 5.084 4.397 1.00 0.00 N ATOM 389 CA LEU A 28 -9.099 6.467 3.954 1.00 0.00 C ATOM 390 C LEU A 28 -8.650 7.354 5.117 1.00 0.00 C ATOM 391 O LEU A 28 -8.609 6.908 6.263 1.00 0.00 O ATOM 392 CB LEU A 28 -10.438 6.884 3.344 1.00 0.00 C ATOM 393 CG LEU A 28 -10.467 7.026 1.821 1.00 0.00 C ATOM 394 CD1 LEU A 28 -11.890 7.276 1.320 1.00 0.00 C ATOM 395 CD2 LEU A 28 -9.496 8.113 1.354 1.00 0.00 C ATOM 0 H LEU A 28 -10.087 4.734 4.597 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.363 6.586 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.191 6.151 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.734 7.837 3.783 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.133 6.085 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.882 7.373 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.528 6.439 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.276 8.194 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.536 8.194 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.777 9.067 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.483 7.853 1.662 1.00 0.00 H new ATOM 407 N SER A 29 -8.324 8.594 4.783 1.00 0.00 N ATOM 408 CA SER A 29 -7.880 9.548 5.785 1.00 0.00 C ATOM 409 C SER A 29 -9.045 10.445 6.206 1.00 0.00 C ATOM 410 O SER A 29 -9.564 11.215 5.398 1.00 0.00 O ATOM 411 CB SER A 29 -6.719 10.395 5.262 1.00 0.00 C ATOM 412 OG SER A 29 -5.836 10.794 6.307 1.00 0.00 O ATOM 0 H SER A 29 -8.359 8.960 3.832 1.00 0.00 H new ATOM 0 HA SER A 29 -7.526 8.992 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.164 9.827 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.112 11.280 4.762 1.00 0.00 H new ATOM 0 HG SER A 29 -5.029 11.192 5.919 1.00 0.00 H new ATOM 418 N THR A 30 -9.423 10.317 7.469 1.00 0.00 N ATOM 419 CA THR A 30 -10.517 11.107 8.007 1.00 0.00 C ATOM 420 C THR A 30 -10.020 12.493 8.425 1.00 0.00 C ATOM 421 O THR A 30 -10.748 13.251 9.064 1.00 0.00 O ATOM 422 CB THR A 30 -11.151 10.318 9.155 1.00 0.00 C ATOM 423 OG1 THR A 30 -10.102 10.192 10.111 1.00 0.00 O ATOM 424 CG2 THR A 30 -11.474 8.874 8.764 1.00 0.00 C ATOM 0 H THR A 30 -8.991 9.678 8.136 1.00 0.00 H new ATOM 0 HA THR A 30 -11.284 11.285 7.253 1.00 0.00 H new ATOM 0 HB THR A 30 -12.063 10.819 9.480 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.427 9.694 10.890 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.922 8.358 9.614 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.174 8.871 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.557 8.362 8.471 1.00 0.00 H new ATOM 432 N VAL A 31 -8.783 12.781 8.047 1.00 0.00 N ATOM 433 CA VAL A 31 -8.180 14.061 8.374 1.00 0.00 C ATOM 434 C VAL A 31 -7.745 14.760 7.084 1.00 0.00 C ATOM 435 O VAL A 31 -7.980 15.955 6.912 1.00 0.00 O ATOM 436 CB VAL A 31 -7.029 13.861 9.363 1.00 0.00 C ATOM 437 CG1 VAL A 31 -7.522 13.196 10.650 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.896 13.053 8.728 1.00 0.00 C ATOM 0 H VAL A 31 -8.182 12.149 7.517 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.905 14.709 8.867 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.635 14.844 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.685 13.065 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.279 13.825 11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.954 12.223 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.091 12.925 9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.271 12.075 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.517 13.582 7.854 1.00 0.00 H new ATOM 448 N GLU A 32 -7.118 13.984 6.211 1.00 0.00 N ATOM 449 CA GLU A 32 -6.648 14.514 4.943 1.00 0.00 C ATOM 450 C GLU A 32 -7.602 14.114 3.815 1.00 0.00 C ATOM 451 O GLU A 32 -8.037 12.965 3.743 1.00 0.00 O ATOM 452 CB GLU A 32 -5.222 14.045 4.647 1.00 0.00 C ATOM 453 CG GLU A 32 -4.272 15.236 4.503 1.00 0.00 C ATOM 454 CD GLU A 32 -4.716 16.157 3.365 1.00 0.00 C ATOM 455 OE1 GLU A 32 -4.946 15.621 2.259 1.00 0.00 O ATOM 456 OE2 GLU A 32 -4.816 17.375 3.627 1.00 0.00 O ATOM 0 H GLU A 32 -6.925 12.993 6.357 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.631 15.602 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.876 13.394 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.212 13.455 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.241 15.796 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.260 14.878 4.312 1.00 0.00 H new ATOM 463 N ARG A 33 -7.898 15.083 2.961 1.00 0.00 N ATOM 464 CA ARG A 33 -8.792 14.846 1.841 1.00 0.00 C ATOM 465 C ARG A 33 -8.055 14.109 0.721 1.00 0.00 C ATOM 466 O ARG A 33 -6.851 14.287 0.543 1.00 0.00 O ATOM 467 CB ARG A 33 -9.351 16.161 1.294 1.00 0.00 C ATOM 468 CG ARG A 33 -10.615 16.575 2.049 1.00 0.00 C ATOM 469 CD ARG A 33 -11.779 15.635 1.727 1.00 0.00 C ATOM 470 NE ARG A 33 -13.003 16.088 2.424 1.00 0.00 N ATOM 471 CZ ARG A 33 -13.679 17.201 2.108 1.00 0.00 C ATOM 472 NH1 ARG A 33 -13.254 17.982 1.105 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.781 17.534 2.795 1.00 0.00 N ATOM 0 H ARG A 33 -7.534 16.034 3.023 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.619 14.234 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.598 16.944 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.576 16.051 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.422 16.566 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.884 17.597 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.951 15.611 0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.532 14.618 2.033 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.354 15.517 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.416 17.729 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.769 18.829 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.105 16.940 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.295 18.381 2.554 1.00 0.00 H new ATOM 487 N ARG A 34 -8.809 13.296 -0.005 1.00 0.00 N ATOM 488 CA ARG A 34 -8.242 12.531 -1.103 1.00 0.00 C ATOM 489 C ARG A 34 -6.908 11.910 -0.684 1.00 0.00 C ATOM 490 O ARG A 34 -5.916 12.017 -1.404 1.00 0.00 O ATOM 491 CB ARG A 34 -8.023 13.413 -2.334 1.00 0.00 C ATOM 492 CG ARG A 34 -9.181 14.395 -2.517 1.00 0.00 C ATOM 493 CD ARG A 34 -9.224 14.930 -3.951 1.00 0.00 C ATOM 494 NE ARG A 34 -7.990 15.691 -4.245 1.00 0.00 N ATOM 495 CZ ARG A 34 -7.764 16.341 -5.394 1.00 0.00 C ATOM 496 NH1 ARG A 34 -8.688 16.326 -6.365 1.00 0.00 N ATOM 497 NH2 ARG A 34 -6.615 17.006 -5.573 1.00 0.00 N ATOM 0 H ARG A 34 -9.807 13.150 0.146 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.950 11.742 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.088 13.963 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.928 12.788 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.123 13.900 -2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.073 15.225 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.327 14.103 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.096 15.571 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.266 15.723 -3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.563 15.820 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.516 16.821 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.912 17.017 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.443 17.501 -6.448 1.00 0.00 H new ATOM 511 N ALA A 35 -6.926 11.275 0.479 1.00 0.00 N ATOM 512 CA ALA A 35 -5.730 10.638 1.002 1.00 0.00 C ATOM 513 C ALA A 35 -6.120 9.351 1.731 1.00 0.00 C ATOM 514 O ALA A 35 -7.051 9.347 2.535 1.00 0.00 O ATOM 515 CB ALA A 35 -4.983 11.618 1.909 1.00 0.00 C ATOM 0 H ALA A 35 -7.750 11.188 1.074 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.055 10.366 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.086 11.139 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.702 12.502 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.628 11.912 2.737 1.00 0.00 H new ATOM 521 N ILE A 36 -5.389 8.289 1.424 1.00 0.00 N ATOM 522 CA ILE A 36 -5.648 6.999 2.041 1.00 0.00 C ATOM 523 C ILE A 36 -4.470 6.624 2.942 1.00 0.00 C ATOM 524 O ILE A 36 -3.337 7.035 2.693 1.00 0.00 O ATOM 525 CB ILE A 36 -5.964 5.949 0.974 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.285 6.264 0.269 1.00 0.00 C ATOM 527 CG2 ILE A 36 -5.954 4.540 1.571 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.495 5.348 -0.938 1.00 0.00 C ATOM 0 H ILE A 36 -4.618 8.296 0.756 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.532 7.051 2.676 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.180 5.983 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.112 6.145 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.289 7.305 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.182 3.813 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.969 4.329 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.704 4.473 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.441 5.593 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.679 5.488 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.515 4.309 -0.608 1.00 0.00 H new ATOM 540 N ASN A 37 -4.777 5.848 3.971 1.00 0.00 N ATOM 541 CA ASN A 37 -3.758 5.413 4.911 1.00 0.00 C ATOM 542 C ASN A 37 -3.626 3.891 4.845 1.00 0.00 C ATOM 543 O ASN A 37 -4.580 3.168 5.130 1.00 0.00 O ATOM 544 CB ASN A 37 -4.132 5.794 6.345 1.00 0.00 C ATOM 545 CG ASN A 37 -3.247 6.931 6.859 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.034 6.916 6.731 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.920 7.916 7.447 1.00 0.00 N ATOM 0 H ASN A 37 -5.717 5.509 4.174 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.821 5.900 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.178 6.097 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.028 4.925 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.420 8.721 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.936 7.866 7.521 1.00 0.00 H new ATOM 554 N LEU A 38 -2.435 3.447 4.469 1.00 0.00 N ATOM 555 CA LEU A 38 -2.166 2.023 4.362 1.00 0.00 C ATOM 556 C LEU A 38 -1.146 1.620 5.428 1.00 0.00 C ATOM 557 O LEU A 38 -0.171 2.333 5.661 1.00 0.00 O ATOM 558 CB LEU A 38 -1.740 1.664 2.937 1.00 0.00 C ATOM 559 CG LEU A 38 -1.761 0.175 2.586 1.00 0.00 C ATOM 560 CD1 LEU A 38 -3.027 -0.188 1.809 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.491 -0.229 1.834 1.00 0.00 C ATOM 0 H LEU A 38 -1.645 4.049 4.235 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.072 1.449 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.392 2.190 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.730 2.041 2.775 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.780 -0.394 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.016 -1.252 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.904 0.040 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.065 0.389 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.531 -1.292 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.416 0.346 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.380 -0.029 2.458 1.00 0.00 H new ATOM 573 N THR A 39 -1.406 0.479 6.049 1.00 0.00 N ATOM 574 CA THR A 39 -0.523 -0.028 7.085 1.00 0.00 C ATOM 575 C THR A 39 -0.410 -1.551 6.992 1.00 0.00 C ATOM 576 O THR A 39 -1.419 -2.254 7.005 1.00 0.00 O ATOM 577 CB THR A 39 -1.050 0.461 8.436 1.00 0.00 C ATOM 578 OG1 THR A 39 -1.922 -0.581 8.866 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.964 1.681 8.301 1.00 0.00 C ATOM 0 H THR A 39 -2.216 -0.109 5.854 1.00 0.00 H new ATOM 0 HA THR A 39 0.492 0.350 6.959 1.00 0.00 H new ATOM 0 HB THR A 39 -0.210 0.707 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.307 -0.347 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.310 1.987 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.412 2.500 7.840 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.822 1.426 7.679 1.00 0.00 H new ATOM 587 N TRP A 40 0.827 -2.016 6.901 1.00 0.00 N ATOM 588 CA TRP A 40 1.085 -3.443 6.806 1.00 0.00 C ATOM 589 C TRP A 40 2.070 -3.820 7.914 1.00 0.00 C ATOM 590 O TRP A 40 2.527 -2.958 8.664 1.00 0.00 O ATOM 591 CB TRP A 40 1.585 -3.818 5.409 1.00 0.00 C ATOM 592 CG TRP A 40 2.854 -3.078 4.983 1.00 0.00 C ATOM 593 CD1 TRP A 40 4.118 -3.523 5.014 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.932 -1.736 4.457 1.00 0.00 C ATOM 595 NE1 TRP A 40 5.001 -2.570 4.548 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.257 -1.449 4.199 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.917 -0.796 4.207 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.688 -0.223 3.678 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.364 0.424 3.687 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.694 0.729 3.422 1.00 0.00 C ATOM 0 H TRP A 40 1.662 -1.430 6.891 1.00 0.00 H new ATOM 0 HA TRP A 40 0.166 -4.011 6.949 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.775 -4.891 5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.797 -3.613 4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.409 -4.504 5.360 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.013 -2.670 4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.874 -0.999 4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.731 -0.022 3.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.624 1.182 3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.959 1.696 3.020 1.00 0.00 H new ATOM 611 N THR A 41 2.368 -5.109 7.983 1.00 0.00 N ATOM 612 CA THR A 41 3.291 -5.611 8.987 1.00 0.00 C ATOM 613 C THR A 41 4.664 -5.872 8.367 1.00 0.00 C ATOM 614 O THR A 41 4.775 -6.078 7.159 1.00 0.00 O ATOM 615 CB THR A 41 2.666 -6.853 9.625 1.00 0.00 C ATOM 616 OG1 THR A 41 1.493 -6.361 10.267 1.00 0.00 O ATOM 617 CG2 THR A 41 3.511 -7.413 10.771 1.00 0.00 C ATOM 0 H THR A 41 1.987 -5.821 7.360 1.00 0.00 H new ATOM 0 HA THR A 41 3.459 -4.874 9.772 1.00 0.00 H new ATOM 0 HB THR A 41 2.532 -7.622 8.864 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.112 -7.063 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.021 -8.293 11.188 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.496 -7.689 10.395 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.618 -6.656 11.548 1.00 0.00 H new ATOM 625 N LYS A 42 5.677 -5.856 9.221 1.00 0.00 N ATOM 626 CA LYS A 42 7.039 -6.089 8.772 1.00 0.00 C ATOM 627 C LYS A 42 7.248 -7.587 8.546 1.00 0.00 C ATOM 628 O LYS A 42 7.255 -8.367 9.497 1.00 0.00 O ATOM 629 CB LYS A 42 8.039 -5.469 9.750 1.00 0.00 C ATOM 630 CG LYS A 42 9.296 -4.990 9.019 1.00 0.00 C ATOM 631 CD LYS A 42 10.462 -5.955 9.244 1.00 0.00 C ATOM 632 CE LYS A 42 11.712 -5.487 8.497 1.00 0.00 C ATOM 633 NZ LYS A 42 12.257 -4.258 9.117 1.00 0.00 N ATOM 0 H LYS A 42 5.582 -5.685 10.222 1.00 0.00 H new ATOM 0 HA LYS A 42 7.215 -5.595 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.574 -4.631 10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.312 -6.202 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.090 -4.905 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.569 -3.995 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.677 -6.029 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.184 -6.953 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.467 -6.273 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.468 -5.297 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.199 -4.058 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.622 -3.458 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.334 -4.393 10.145 1.00 0.00 H new ATOM 647 N PRO A 43 7.418 -7.955 7.247 1.00 0.00 N ATOM 648 CA PRO A 43 7.626 -9.346 6.885 1.00 0.00 C ATOM 649 C PRO A 43 9.046 -9.797 7.234 1.00 0.00 C ATOM 650 O PRO A 43 9.862 -8.996 7.686 1.00 0.00 O ATOM 651 CB PRO A 43 7.331 -9.413 5.395 1.00 0.00 C ATOM 652 CG PRO A 43 7.422 -7.983 4.888 1.00 0.00 C ATOM 653 CD PRO A 43 7.415 -7.059 6.095 1.00 0.00 C ATOM 0 HA PRO A 43 6.977 -10.026 7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.048 -10.055 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.341 -9.830 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.332 -7.842 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.583 -7.757 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.288 -6.406 6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.535 -6.415 6.096 1.00 0.00 H new ATOM 661 N PHE A 44 9.297 -11.079 7.011 1.00 0.00 N ATOM 662 CA PHE A 44 10.604 -11.646 7.296 1.00 0.00 C ATOM 663 C PHE A 44 11.582 -11.373 6.152 1.00 0.00 C ATOM 664 O PHE A 44 11.290 -11.675 4.996 1.00 0.00 O ATOM 665 CB PHE A 44 10.414 -13.157 7.440 1.00 0.00 C ATOM 666 CG PHE A 44 11.723 -13.939 7.573 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.566 -14.040 6.511 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.043 -14.532 8.754 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.780 -14.765 6.635 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.257 -15.258 8.878 1.00 0.00 C ATOM 671 CZ PHE A 44 14.100 -15.359 7.816 1.00 0.00 C ATOM 0 H PHE A 44 8.617 -11.741 6.636 1.00 0.00 H new ATOM 0 HA PHE A 44 11.014 -11.199 8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.795 -13.353 8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.867 -13.528 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.312 -13.569 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.374 -14.451 9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.450 -14.845 5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.511 -15.730 9.816 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.024 -15.911 7.910 1.00 0.00 H new ATOM 681 N ASP A 45 12.723 -10.804 6.514 1.00 0.00 N ATOM 682 CA ASP A 45 13.746 -10.487 5.531 1.00 0.00 C ATOM 683 C ASP A 45 14.603 -11.728 5.276 1.00 0.00 C ATOM 684 O ASP A 45 14.921 -12.469 6.204 1.00 0.00 O ATOM 685 CB ASP A 45 14.665 -9.372 6.034 1.00 0.00 C ATOM 686 CG ASP A 45 15.745 -9.820 7.021 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.406 -10.643 7.899 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.886 -9.331 6.874 1.00 0.00 O ATOM 0 H ASP A 45 12.962 -10.554 7.474 1.00 0.00 H new ATOM 0 HA ASP A 45 13.248 -10.160 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.149 -8.906 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.054 -8.605 6.511 1.00 0.00 H new ATOM 693 N GLY A 46 14.953 -11.916 4.012 1.00 0.00 N ATOM 694 CA GLY A 46 15.768 -13.054 3.622 1.00 0.00 C ATOM 695 C GLY A 46 17.243 -12.810 3.948 1.00 0.00 C ATOM 696 O GLY A 46 18.103 -12.933 3.078 1.00 0.00 O ATOM 0 H GLY A 46 14.687 -11.299 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.421 -13.949 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.654 -13.239 2.554 1.00 0.00 H new ATOM 700 N ASN A 47 17.489 -12.469 5.204 1.00 0.00 N ATOM 701 CA ASN A 47 18.845 -12.207 5.656 1.00 0.00 C ATOM 702 C ASN A 47 19.416 -11.019 4.879 1.00 0.00 C ATOM 703 O ASN A 47 20.633 -10.869 4.773 1.00 0.00 O ATOM 704 CB ASN A 47 19.752 -13.414 5.408 1.00 0.00 C ATOM 705 CG ASN A 47 19.380 -14.577 6.330 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.544 -14.524 7.537 1.00 0.00 O ATOM 707 ND2 ASN A 47 18.871 -15.629 5.694 1.00 0.00 N ATOM 0 H ASN A 47 16.773 -12.368 5.923 1.00 0.00 H new ATOM 0 HA ASN A 47 18.809 -11.997 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.669 -13.729 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.792 -13.132 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.591 -16.457 6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.760 -15.608 4.680 1.00 0.00 H new ATOM 714 N SER A 48 18.511 -10.205 4.355 1.00 0.00 N ATOM 715 CA SER A 48 18.910 -9.036 3.591 1.00 0.00 C ATOM 716 C SER A 48 18.105 -7.816 4.043 1.00 0.00 C ATOM 717 O SER A 48 16.914 -7.925 4.331 1.00 0.00 O ATOM 718 CB SER A 48 18.723 -9.268 2.090 1.00 0.00 C ATOM 719 OG SER A 48 19.945 -9.126 1.371 1.00 0.00 O ATOM 0 H SER A 48 17.503 -10.332 4.445 1.00 0.00 H new ATOM 0 HA SER A 48 19.969 -8.854 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.320 -10.267 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 48 17.990 -8.560 1.702 1.00 0.00 H new ATOM 0 HG SER A 48 19.848 -8.420 0.698 1.00 0.00 H new ATOM 725 N PRO A 49 18.805 -6.651 4.093 1.00 0.00 N ATOM 726 CA PRO A 49 18.168 -5.412 4.505 1.00 0.00 C ATOM 727 C PRO A 49 17.268 -4.863 3.397 1.00 0.00 C ATOM 728 O PRO A 49 17.741 -4.548 2.306 1.00 0.00 O ATOM 729 CB PRO A 49 19.315 -4.478 4.855 1.00 0.00 C ATOM 730 CG PRO A 49 20.549 -5.064 4.188 1.00 0.00 C ATOM 731 CD PRO A 49 20.217 -6.484 3.759 1.00 0.00 C ATOM 0 HA PRO A 49 17.504 -5.544 5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.119 -3.468 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.449 -4.412 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.839 -4.463 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.393 -5.061 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.391 -6.627 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.837 -7.211 4.283 1.00 0.00 H new ATOM 739 N LEU A 50 15.985 -4.765 3.715 1.00 0.00 N ATOM 740 CA LEU A 50 15.014 -4.260 2.760 1.00 0.00 C ATOM 741 C LEU A 50 15.593 -3.035 2.049 1.00 0.00 C ATOM 742 O LEU A 50 16.375 -2.287 2.633 1.00 0.00 O ATOM 743 CB LEU A 50 13.673 -3.995 3.448 1.00 0.00 C ATOM 744 CG LEU A 50 12.972 -5.217 4.045 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.799 -4.796 4.932 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.540 -6.191 2.947 1.00 0.00 C ATOM 0 H LEU A 50 15.596 -5.027 4.621 1.00 0.00 H new ATOM 0 HA LEU A 50 14.810 -5.007 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.833 -3.268 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.001 -3.533 2.725 1.00 0.00 H new ATOM 0 HG LEU A 50 13.684 -5.744 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.318 -5.683 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.165 -4.170 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.077 -4.234 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.044 -7.051 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.851 -5.690 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.417 -6.527 2.393 1.00 0.00 H new ATOM 758 N ILE A 51 15.187 -2.869 0.799 1.00 0.00 N ATOM 759 CA ILE A 51 15.656 -1.748 0.002 1.00 0.00 C ATOM 760 C ILE A 51 14.492 -0.791 -0.259 1.00 0.00 C ATOM 761 O ILE A 51 14.554 0.382 0.106 1.00 0.00 O ATOM 762 CB ILE A 51 16.341 -2.246 -1.272 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.709 -2.855 -0.958 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.437 -1.130 -2.315 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.387 -3.366 -2.231 1.00 0.00 C ATOM 0 H ILE A 51 14.538 -3.492 0.318 1.00 0.00 H new ATOM 0 HA ILE A 51 16.415 -1.186 0.545 1.00 0.00 H new ATOM 0 HB ILE A 51 15.727 -3.038 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.342 -2.108 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.592 -3.675 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.928 -1.510 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.436 -0.783 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.016 -0.301 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.358 -3.794 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.763 -4.130 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.525 -2.539 -2.927 1.00 0.00 H new ATOM 777 N ARG A 52 13.456 -1.327 -0.888 1.00 0.00 N ATOM 778 CA ARG A 52 12.279 -0.535 -1.203 1.00 0.00 C ATOM 779 C ARG A 52 11.079 -1.448 -1.460 1.00 0.00 C ATOM 780 O ARG A 52 11.225 -2.667 -1.527 1.00 0.00 O ATOM 781 CB ARG A 52 12.518 0.342 -2.433 1.00 0.00 C ATOM 782 CG ARG A 52 12.406 -0.477 -3.721 1.00 0.00 C ATOM 783 CD ARG A 52 12.682 0.391 -4.949 1.00 0.00 C ATOM 784 NE ARG A 52 14.139 0.468 -5.198 1.00 0.00 N ATOM 785 CZ ARG A 52 14.684 0.920 -6.336 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.896 1.339 -7.336 1.00 0.00 N ATOM 787 NH2 ARG A 52 16.016 0.954 -6.473 1.00 0.00 N ATOM 0 H ARG A 52 13.407 -2.301 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 52 12.073 0.109 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.792 1.155 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.506 0.798 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.113 -1.306 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.409 -0.911 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.177 -0.027 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.278 1.392 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 52 14.768 0.158 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.882 1.314 -7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.311 1.683 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.615 0.636 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.431 1.298 -7.339 1.00 0.00 H new ATOM 801 N TYR A 53 9.919 -0.822 -1.598 1.00 0.00 N ATOM 802 CA TYR A 53 8.694 -1.563 -1.847 1.00 0.00 C ATOM 803 C TYR A 53 7.898 -0.937 -2.994 1.00 0.00 C ATOM 804 O TYR A 53 7.654 0.269 -3.000 1.00 0.00 O ATOM 805 CB TYR A 53 7.873 -1.465 -0.560 1.00 0.00 C ATOM 806 CG TYR A 53 8.301 -2.452 0.528 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.552 -2.348 1.101 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.435 -3.447 0.936 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.955 -3.278 2.124 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.838 -4.376 1.959 1.00 0.00 C ATOM 811 CZ TYR A 53 9.078 -4.246 2.503 1.00 0.00 C ATOM 812 OH TYR A 53 9.458 -5.123 3.470 1.00 0.00 O ATOM 0 H TYR A 53 9.802 0.190 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 53 8.918 -2.593 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.951 -0.451 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.823 -1.635 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.229 -1.569 0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.456 -3.528 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.932 -3.208 2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.171 -5.159 2.287 1.00 0.00 H new ATOM 0 HH TYR A 53 8.731 -5.758 3.640 1.00 0.00 H new ATOM 822 N ILE A 54 7.516 -1.784 -3.938 1.00 0.00 N ATOM 823 CA ILE A 54 6.753 -1.329 -5.088 1.00 0.00 C ATOM 824 C ILE A 54 5.258 -1.438 -4.778 1.00 0.00 C ATOM 825 O ILE A 54 4.678 -2.518 -4.871 1.00 0.00 O ATOM 826 CB ILE A 54 7.176 -2.088 -6.347 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.675 -1.924 -6.608 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.335 -1.664 -7.552 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.130 -2.811 -7.768 1.00 0.00 C ATOM 0 H ILE A 54 7.721 -2.783 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 54 6.962 -0.279 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 54 6.991 -3.150 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.896 -0.881 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.235 -2.180 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.657 -2.219 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.284 -1.874 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.464 -0.596 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.199 -2.675 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.930 -3.855 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.586 -2.536 -8.672 1.00 0.00 H new ATOM 841 N LEU A 55 4.677 -0.303 -4.416 1.00 0.00 N ATOM 842 CA LEU A 55 3.262 -0.257 -4.092 1.00 0.00 C ATOM 843 C LEU A 55 2.458 -0.017 -5.371 1.00 0.00 C ATOM 844 O LEU A 55 2.569 1.042 -5.989 1.00 0.00 O ATOM 845 CB LEU A 55 2.996 0.776 -2.996 1.00 0.00 C ATOM 846 CG LEU A 55 1.529 1.136 -2.754 1.00 0.00 C ATOM 847 CD1 LEU A 55 1.054 2.197 -3.749 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.646 -0.113 -2.783 1.00 0.00 C ATOM 0 H LEU A 55 5.161 0.592 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 55 2.934 -1.213 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.416 0.402 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.537 1.689 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 55 1.443 1.568 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.008 2.435 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.658 3.097 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.157 1.815 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.392 0.171 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.731 -0.596 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.969 -0.805 -2.005 1.00 0.00 H new ATOM 860 N GLU A 56 1.666 -1.016 -5.732 1.00 0.00 N ATOM 861 CA GLU A 56 0.844 -0.927 -6.926 1.00 0.00 C ATOM 862 C GLU A 56 -0.633 -0.811 -6.546 1.00 0.00 C ATOM 863 O GLU A 56 -1.112 -1.533 -5.672 1.00 0.00 O ATOM 864 CB GLU A 56 1.081 -2.126 -7.846 1.00 0.00 C ATOM 865 CG GLU A 56 2.303 -1.898 -8.740 1.00 0.00 C ATOM 866 CD GLU A 56 2.569 -3.117 -9.625 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.244 -4.044 -9.128 1.00 0.00 O ATOM 868 OE2 GLU A 56 2.090 -3.095 -10.780 1.00 0.00 O ATOM 0 H GLU A 56 1.576 -1.892 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 56 1.130 -0.029 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.227 -3.025 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.199 -2.294 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.143 -1.019 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.178 -1.695 -8.122 1.00 0.00 H new ATOM 875 N MET A 57 -1.315 0.102 -7.221 1.00 0.00 N ATOM 876 CA MET A 57 -2.729 0.322 -6.965 1.00 0.00 C ATOM 877 C MET A 57 -3.577 -0.114 -8.162 1.00 0.00 C ATOM 878 O MET A 57 -3.134 -0.026 -9.306 1.00 0.00 O ATOM 879 CB MET A 57 -2.972 1.805 -6.681 1.00 0.00 C ATOM 880 CG MET A 57 -4.426 2.187 -6.964 1.00 0.00 C ATOM 881 SD MET A 57 -4.634 2.553 -8.698 1.00 0.00 S ATOM 882 CE MET A 57 -3.948 4.200 -8.752 1.00 0.00 C ATOM 0 H MET A 57 -0.915 0.699 -7.945 1.00 0.00 H new ATOM 0 HA MET A 57 -3.020 -0.275 -6.100 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.731 2.024 -5.641 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.307 2.410 -7.297 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.088 1.371 -6.674 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.706 3.053 -6.365 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.277 4.702 -9.662 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.288 4.764 -7.883 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.860 4.141 -8.744 1.00 0.00 H new ATOM 892 N SER A 58 -4.781 -0.576 -7.856 1.00 0.00 N ATOM 893 CA SER A 58 -5.695 -1.026 -8.892 1.00 0.00 C ATOM 894 C SER A 58 -7.031 -0.292 -8.766 1.00 0.00 C ATOM 895 O SER A 58 -7.940 -0.763 -8.084 1.00 0.00 O ATOM 896 CB SER A 58 -5.911 -2.539 -8.817 1.00 0.00 C ATOM 897 OG SER A 58 -6.826 -2.997 -9.809 1.00 0.00 O ATOM 0 H SER A 58 -5.144 -0.648 -6.906 1.00 0.00 H new ATOM 0 HA SER A 58 -5.252 -0.797 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.956 -3.048 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.286 -2.803 -7.828 1.00 0.00 H new ATOM 0 HG SER A 58 -6.392 -2.980 -10.687 1.00 0.00 H new ATOM 903 N GLU A 59 -7.109 0.850 -9.434 1.00 0.00 N ATOM 904 CA GLU A 59 -8.319 1.653 -9.405 1.00 0.00 C ATOM 905 C GLU A 59 -9.496 0.861 -9.977 1.00 0.00 C ATOM 906 O GLU A 59 -9.515 -0.367 -9.906 1.00 0.00 O ATOM 907 CB GLU A 59 -8.123 2.968 -10.163 1.00 0.00 C ATOM 908 CG GLU A 59 -8.988 4.079 -9.567 1.00 0.00 C ATOM 909 CD GLU A 59 -9.364 5.112 -10.631 1.00 0.00 C ATOM 910 OE1 GLU A 59 -9.971 4.692 -11.640 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.037 6.298 -10.412 1.00 0.00 O ATOM 0 H GLU A 59 -6.353 1.238 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.543 1.900 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.074 3.260 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.378 2.828 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.893 3.649 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.450 4.568 -8.755 1.00 0.00 H new ATOM 918 N ASN A 60 -10.449 1.596 -10.531 1.00 0.00 N ATOM 919 CA ASN A 60 -11.627 0.977 -11.115 1.00 0.00 C ATOM 920 C ASN A 60 -11.202 0.077 -12.277 1.00 0.00 C ATOM 921 O ASN A 60 -10.853 0.566 -13.350 1.00 0.00 O ATOM 922 CB ASN A 60 -12.590 2.032 -11.662 1.00 0.00 C ATOM 923 CG ASN A 60 -13.670 2.375 -10.634 1.00 0.00 C ATOM 924 OD1 ASN A 60 -13.879 1.674 -9.658 1.00 0.00 O ATOM 925 ND2 ASN A 60 -14.342 3.489 -10.907 1.00 0.00 N ATOM 0 H ASN A 60 -10.430 2.614 -10.588 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.127 0.402 -10.335 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.036 2.933 -11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.057 1.664 -12.576 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.084 3.803 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.116 4.029 -11.742 1.00 0.00 H new ATOM 932 N ASN A 61 -11.245 -1.223 -12.023 1.00 0.00 N ATOM 933 CA ASN A 61 -10.869 -2.196 -13.035 1.00 0.00 C ATOM 934 C ASN A 61 -9.550 -1.769 -13.681 1.00 0.00 C ATOM 935 O ASN A 61 -9.263 -2.139 -14.819 1.00 0.00 O ATOM 936 CB ASN A 61 -11.928 -2.284 -14.135 1.00 0.00 C ATOM 937 CG ASN A 61 -12.648 -3.633 -14.097 1.00 0.00 C ATOM 938 OD1 ASN A 61 -13.315 -3.983 -13.137 1.00 0.00 O ATOM 939 ND2 ASN A 61 -12.478 -4.369 -15.191 1.00 0.00 N ATOM 0 H ASN A 61 -11.534 -1.625 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.772 -3.167 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.652 -1.478 -14.013 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.458 -2.146 -15.109 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.919 -5.286 -15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.907 -4.017 -15.959 1.00 0.00 H new ATOM 946 N ALA A 62 -8.781 -0.996 -12.928 1.00 0.00 N ATOM 947 CA ALA A 62 -7.499 -0.515 -13.413 1.00 0.00 C ATOM 948 C ALA A 62 -6.422 -1.561 -13.118 1.00 0.00 C ATOM 949 O ALA A 62 -6.489 -2.258 -12.107 1.00 0.00 O ATOM 950 CB ALA A 62 -7.187 0.840 -12.774 1.00 0.00 C ATOM 0 H ALA A 62 -9.022 -0.691 -11.985 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.528 -0.367 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.225 1.201 -13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.966 1.555 -13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.147 0.731 -11.690 1.00 0.00 H new ATOM 956 N PRO A 63 -5.428 -1.639 -14.044 1.00 0.00 N ATOM 957 CA PRO A 63 -4.339 -2.588 -13.893 1.00 0.00 C ATOM 958 C PRO A 63 -3.351 -2.123 -12.821 1.00 0.00 C ATOM 959 O PRO A 63 -3.114 -0.925 -12.667 1.00 0.00 O ATOM 960 CB PRO A 63 -3.712 -2.690 -15.274 1.00 0.00 C ATOM 961 CG PRO A 63 -4.172 -1.455 -16.032 1.00 0.00 C ATOM 962 CD PRO A 63 -5.317 -0.829 -15.253 1.00 0.00 C ATOM 0 HA PRO A 63 -4.678 -3.566 -13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.625 -2.725 -15.208 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.030 -3.601 -15.781 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.351 -0.746 -16.140 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.496 -1.723 -17.038 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.110 0.214 -15.013 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.243 -0.846 -15.828 1.00 0.00 H new ATOM 970 N TRP A 64 -2.800 -3.094 -12.108 1.00 0.00 N ATOM 971 CA TRP A 64 -1.843 -2.799 -11.055 1.00 0.00 C ATOM 972 C TRP A 64 -0.875 -1.737 -11.580 1.00 0.00 C ATOM 973 O TRP A 64 -0.032 -2.026 -12.428 1.00 0.00 O ATOM 974 CB TRP A 64 -1.137 -4.072 -10.584 1.00 0.00 C ATOM 975 CG TRP A 64 -2.082 -5.140 -10.030 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.321 -6.364 -10.519 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.911 -5.028 -8.854 1.00 0.00 C ATOM 978 NE1 TRP A 64 -3.239 -7.047 -9.748 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.609 -6.208 -8.703 1.00 0.00 C ATOM 980 CE3 TRP A 64 -3.066 -3.964 -7.948 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.510 -6.438 -7.656 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.969 -4.209 -6.907 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.680 -5.392 -6.741 1.00 0.00 C ATOM 0 H TRP A 64 -2.998 -4.086 -12.239 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.348 -2.404 -10.174 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.577 -4.495 -11.418 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.412 -3.809 -9.814 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.854 -6.766 -11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.583 -7.993 -9.914 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.531 -3.031 -8.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.045 -7.371 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.124 -3.424 -6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.361 -5.504 -5.910 1.00 0.00 H new ATOM 994 N THR A 65 -1.027 -0.531 -11.054 1.00 0.00 N ATOM 995 CA THR A 65 -0.177 0.575 -11.459 1.00 0.00 C ATOM 996 C THR A 65 0.793 0.942 -10.334 1.00 0.00 C ATOM 997 O THR A 65 0.390 1.067 -9.178 1.00 0.00 O ATOM 998 CB THR A 65 -1.080 1.734 -11.885 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.174 2.804 -12.142 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.951 2.251 -10.738 1.00 0.00 C ATOM 0 H THR A 65 -1.727 -0.295 -10.350 1.00 0.00 H new ATOM 0 HA THR A 65 0.449 0.302 -12.309 1.00 0.00 H new ATOM 0 HB THR A 65 -1.718 1.413 -12.708 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.676 3.596 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.572 3.073 -11.095 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.589 1.446 -10.374 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.313 2.604 -9.927 1.00 0.00 H new ATOM 1008 N VAL A 66 2.052 1.105 -10.711 1.00 0.00 N ATOM 1009 CA VAL A 66 3.083 1.455 -9.748 1.00 0.00 C ATOM 1010 C VAL A 66 2.818 2.865 -9.215 1.00 0.00 C ATOM 1011 O VAL A 66 3.135 3.852 -9.877 1.00 0.00 O ATOM 1012 CB VAL A 66 4.466 1.307 -10.384 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.551 1.899 -9.483 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.765 -0.158 -10.711 1.00 0.00 C ATOM 0 H VAL A 66 2.382 1.001 -11.670 1.00 0.00 H new ATOM 0 HA VAL A 66 3.058 0.775 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 66 4.465 1.867 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.524 1.780 -9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.352 2.959 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.551 1.380 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.754 -0.236 -11.162 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.737 -0.748 -9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.017 -0.535 -11.409 1.00 0.00 H new ATOM 1024 N LEU A 67 2.241 2.914 -8.023 1.00 0.00 N ATOM 1025 CA LEU A 67 1.930 4.186 -7.394 1.00 0.00 C ATOM 1026 C LEU A 67 3.192 4.745 -6.734 1.00 0.00 C ATOM 1027 O LEU A 67 3.599 5.870 -7.018 1.00 0.00 O ATOM 1028 CB LEU A 67 0.750 4.034 -6.432 1.00 0.00 C ATOM 1029 CG LEU A 67 -0.620 4.438 -6.982 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.695 4.346 -5.898 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -0.566 5.827 -7.621 1.00 0.00 C ATOM 0 H LEU A 67 1.981 2.093 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 67 1.611 4.912 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.699 2.993 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.953 4.631 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.895 3.733 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.659 4.638 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.755 3.322 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.439 5.012 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.552 6.090 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.260 6.559 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.152 5.823 -8.441 1.00 0.00 H new ATOM 1043 N LEU A 68 3.777 3.933 -5.865 1.00 0.00 N ATOM 1044 CA LEU A 68 4.985 4.332 -5.163 1.00 0.00 C ATOM 1045 C LEU A 68 6.107 3.343 -5.484 1.00 0.00 C ATOM 1046 O LEU A 68 6.077 2.198 -5.035 1.00 0.00 O ATOM 1047 CB LEU A 68 4.708 4.485 -3.666 1.00 0.00 C ATOM 1048 CG LEU A 68 5.015 5.857 -3.064 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.428 5.982 -1.656 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.518 6.143 -3.086 1.00 0.00 C ATOM 0 H LEU A 68 3.436 3.000 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 68 5.318 5.312 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.657 4.258 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.292 3.736 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 68 4.535 6.616 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.661 6.967 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.346 5.854 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.858 5.214 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.708 7.125 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.042 5.383 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.877 6.126 -4.115 1.00 0.00 H new ATOM 1062 N ALA A 69 7.070 3.821 -6.258 1.00 0.00 N ATOM 1063 CA ALA A 69 8.200 2.993 -6.644 1.00 0.00 C ATOM 1064 C ALA A 69 9.193 2.919 -5.483 1.00 0.00 C ATOM 1065 O ALA A 69 9.344 1.871 -4.856 1.00 0.00 O ATOM 1066 CB ALA A 69 8.834 3.555 -7.918 1.00 0.00 C ATOM 0 H ALA A 69 7.091 4.771 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 69 7.873 1.977 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.682 2.934 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.096 3.559 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.176 4.574 -7.735 1.00 0.00 H new ATOM 1072 N SER A 70 9.844 4.045 -5.230 1.00 0.00 N ATOM 1073 CA SER A 70 10.818 4.120 -4.154 1.00 0.00 C ATOM 1074 C SER A 70 10.106 4.341 -2.818 1.00 0.00 C ATOM 1075 O SER A 70 9.719 5.463 -2.494 1.00 0.00 O ATOM 1076 CB SER A 70 11.831 5.239 -4.407 1.00 0.00 C ATOM 1077 OG SER A 70 11.668 5.826 -5.695 1.00 0.00 O ATOM 0 H SER A 70 9.716 4.912 -5.751 1.00 0.00 H new ATOM 0 HA SER A 70 11.361 3.176 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.721 6.007 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.841 4.841 -4.315 1.00 0.00 H new ATOM 0 HG SER A 70 12.332 6.537 -5.817 1.00 0.00 H new ATOM 1083 N VAL A 71 9.955 3.252 -2.078 1.00 0.00 N ATOM 1084 CA VAL A 71 9.296 3.313 -0.784 1.00 0.00 C ATOM 1085 C VAL A 71 10.308 2.979 0.314 1.00 0.00 C ATOM 1086 O VAL A 71 11.273 2.255 0.075 1.00 0.00 O ATOM 1087 CB VAL A 71 8.076 2.389 -0.774 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.677 2.024 0.657 1.00 0.00 C ATOM 1089 CG2 VAL A 71 6.904 3.022 -1.526 1.00 0.00 C ATOM 0 H VAL A 71 10.277 2.323 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 71 8.926 4.320 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 71 8.348 1.469 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.808 1.367 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.506 1.513 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.433 2.931 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.050 2.345 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.633 3.964 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.193 3.208 -2.560 1.00 0.00 H new ATOM 1099 N ASP A 72 10.052 3.522 1.495 1.00 0.00 N ATOM 1100 CA ASP A 72 10.928 3.291 2.631 1.00 0.00 C ATOM 1101 C ASP A 72 10.815 1.829 3.067 1.00 0.00 C ATOM 1102 O ASP A 72 9.712 1.308 3.225 1.00 0.00 O ATOM 1103 CB ASP A 72 10.534 4.171 3.819 1.00 0.00 C ATOM 1104 CG ASP A 72 11.591 5.191 4.247 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.450 5.510 3.396 1.00 0.00 O ATOM 1106 OD2 ASP A 72 11.517 5.629 5.415 1.00 0.00 O ATOM 0 H ASP A 72 9.250 4.122 1.690 1.00 0.00 H new ATOM 0 HA ASP A 72 11.946 3.532 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.617 4.704 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.307 3.527 4.669 1.00 0.00 H new ATOM 1111 N PRO A 73 12.002 1.192 3.256 1.00 0.00 N ATOM 1112 CA PRO A 73 12.046 -0.200 3.671 1.00 0.00 C ATOM 1113 C PRO A 73 11.695 -0.341 5.154 1.00 0.00 C ATOM 1114 O PRO A 73 11.234 -1.395 5.589 1.00 0.00 O ATOM 1115 CB PRO A 73 13.458 -0.662 3.348 1.00 0.00 C ATOM 1116 CG PRO A 73 14.286 0.604 3.197 1.00 0.00 C ATOM 1117 CD PRO A 73 13.327 1.777 3.079 1.00 0.00 C ATOM 0 HA PRO A 73 11.311 -0.817 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.853 -1.295 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.476 -1.252 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.944 0.734 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.922 0.541 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.531 2.533 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.417 2.266 2.109 1.00 0.00 H new ATOM 1125 N LYS A 74 11.927 0.736 5.889 1.00 0.00 N ATOM 1126 CA LYS A 74 11.642 0.746 7.314 1.00 0.00 C ATOM 1127 C LYS A 74 10.237 1.307 7.544 1.00 0.00 C ATOM 1128 O LYS A 74 9.883 1.661 8.668 1.00 0.00 O ATOM 1129 CB LYS A 74 12.736 1.497 8.075 1.00 0.00 C ATOM 1130 CG LYS A 74 14.122 0.959 7.714 1.00 0.00 C ATOM 1131 CD LYS A 74 15.093 1.115 8.886 1.00 0.00 C ATOM 1132 CE LYS A 74 15.227 2.583 9.295 1.00 0.00 C ATOM 1133 NZ LYS A 74 16.354 3.220 8.577 1.00 0.00 N ATOM 0 H LYS A 74 12.309 1.609 5.525 1.00 0.00 H new ATOM 0 HA LYS A 74 11.650 -0.269 7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.682 2.560 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.571 1.398 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.047 -0.092 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.507 1.491 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.742 0.528 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.070 0.720 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.301 3.114 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.387 2.654 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.431 4.216 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.238 2.723 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.186 3.169 7.552 1.00 0.00 H new ATOM 1147 N ALA A 75 9.475 1.371 6.462 1.00 0.00 N ATOM 1148 CA ALA A 75 8.117 1.883 6.532 1.00 0.00 C ATOM 1149 C ALA A 75 7.131 0.721 6.404 1.00 0.00 C ATOM 1150 O ALA A 75 7.358 -0.208 5.630 1.00 0.00 O ATOM 1151 CB ALA A 75 7.914 2.942 5.446 1.00 0.00 C ATOM 0 H ALA A 75 9.772 1.077 5.532 1.00 0.00 H new ATOM 0 HA ALA A 75 7.937 2.363 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.895 3.326 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.618 3.760 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.083 2.495 4.466 1.00 0.00 H new ATOM 1157 N THR A 76 6.058 0.810 7.176 1.00 0.00 N ATOM 1158 CA THR A 76 5.036 -0.224 7.159 1.00 0.00 C ATOM 1159 C THR A 76 3.688 0.366 6.741 1.00 0.00 C ATOM 1160 O THR A 76 2.700 -0.356 6.622 1.00 0.00 O ATOM 1161 CB THR A 76 5.009 -0.884 8.538 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.307 0.179 9.439 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.159 -1.874 8.737 1.00 0.00 C ATOM 0 H THR A 76 5.874 1.582 7.817 1.00 0.00 H new ATOM 0 HA THR A 76 5.262 -0.992 6.420 1.00 0.00 H new ATOM 0 HB THR A 76 4.058 -1.400 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.308 -0.162 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.092 -2.314 9.732 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.094 -2.662 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.110 -1.352 8.634 1.00 0.00 H new ATOM 1171 N SER A 77 3.691 1.674 6.529 1.00 0.00 N ATOM 1172 CA SER A 77 2.480 2.370 6.126 1.00 0.00 C ATOM 1173 C SER A 77 2.817 3.461 5.109 1.00 0.00 C ATOM 1174 O SER A 77 3.905 4.033 5.144 1.00 0.00 O ATOM 1175 CB SER A 77 1.764 2.975 7.336 1.00 0.00 C ATOM 1176 OG SER A 77 2.673 3.614 8.229 1.00 0.00 O ATOM 0 H SER A 77 4.513 2.270 6.629 1.00 0.00 H new ATOM 0 HA SER A 77 1.808 1.647 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.023 3.697 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.224 2.191 7.867 1.00 0.00 H new ATOM 0 HG SER A 77 2.178 3.989 8.987 1.00 0.00 H new ATOM 1182 N VAL A 78 1.863 3.717 4.226 1.00 0.00 N ATOM 1183 CA VAL A 78 2.045 4.730 3.200 1.00 0.00 C ATOM 1184 C VAL A 78 0.728 5.479 2.989 1.00 0.00 C ATOM 1185 O VAL A 78 -0.343 4.958 3.299 1.00 0.00 O ATOM 1186 CB VAL A 78 2.579 4.087 1.918 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.495 3.256 1.229 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.146 5.144 0.969 1.00 0.00 C ATOM 0 H VAL A 78 0.962 3.240 4.200 1.00 0.00 H new ATOM 0 HA VAL A 78 2.789 5.462 3.515 1.00 0.00 H new ATOM 0 HB VAL A 78 3.392 3.415 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.901 2.810 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.159 2.467 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.652 3.898 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.519 4.660 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.362 5.853 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.962 5.673 1.460 1.00 0.00 H new ATOM 1198 N THR A 79 0.850 6.689 2.463 1.00 0.00 N ATOM 1199 CA THR A 79 -0.318 7.515 2.207 1.00 0.00 C ATOM 1200 C THR A 79 -0.501 7.729 0.703 1.00 0.00 C ATOM 1201 O THR A 79 0.444 8.092 0.005 1.00 0.00 O ATOM 1202 CB THR A 79 -0.157 8.819 2.991 1.00 0.00 C ATOM 1203 OG1 THR A 79 0.043 8.392 4.336 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.451 9.633 3.047 1.00 0.00 C ATOM 0 H THR A 79 1.740 7.117 2.207 1.00 0.00 H new ATOM 0 HA THR A 79 -1.230 7.025 2.547 1.00 0.00 H new ATOM 0 HB THR A 79 0.630 9.421 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.158 9.175 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.281 10.548 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.765 9.887 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.230 9.045 3.532 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.723 7.494 0.249 1.00 0.00 N ATOM 1213 CA VAL A 80 -2.042 7.657 -1.159 1.00 0.00 C ATOM 1214 C VAL A 80 -2.878 8.925 -1.345 1.00 0.00 C ATOM 1215 O VAL A 80 -4.082 8.921 -1.093 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.736 6.400 -1.687 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.985 6.503 -3.193 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.929 5.145 -1.349 1.00 0.00 C ATOM 0 H VAL A 80 -2.504 7.192 0.831 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.131 7.780 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.704 6.319 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.479 5.597 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.620 7.365 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.034 6.621 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.444 4.266 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.940 5.215 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.826 5.059 -0.267 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.207 9.979 -1.785 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.873 11.251 -2.008 1.00 0.00 C ATOM 1230 C LYS A 81 -3.157 11.418 -3.502 1.00 0.00 C ATOM 1231 O LYS A 81 -2.560 10.734 -4.332 1.00 0.00 O ATOM 1232 CB LYS A 81 -2.058 12.396 -1.405 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.655 12.082 0.038 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.272 12.653 0.357 1.00 0.00 C ATOM 1235 CE LYS A 81 0.699 11.542 0.761 1.00 0.00 C ATOM 1236 NZ LYS A 81 1.547 11.152 -0.388 1.00 0.00 N ATOM 0 H LYS A 81 -1.208 9.978 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.835 11.272 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.165 12.568 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.642 13.316 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.392 12.499 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.651 11.003 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.117 13.182 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.353 13.382 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.327 11.881 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.142 10.677 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.200 10.397 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.945 10.809 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.093 11.976 -0.712 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.068 12.332 -3.800 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.438 12.598 -5.180 1.00 0.00 C ATOM 1252 C GLY A 82 -5.304 11.470 -5.743 1.00 0.00 C ATOM 1253 O GLY A 82 -4.962 10.868 -6.760 1.00 0.00 O ATOM 0 H GLY A 82 -4.561 12.898 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.980 13.542 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.539 12.708 -5.786 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.410 11.217 -5.057 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.327 10.171 -5.476 1.00 0.00 C ATOM 1259 C LEU A 83 -8.597 10.810 -6.041 1.00 0.00 C ATOM 1260 O LEU A 83 -8.912 11.957 -5.728 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.589 9.196 -4.326 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.407 8.319 -3.909 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.881 7.106 -3.106 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.571 7.911 -5.123 1.00 0.00 C ATOM 0 H LEU A 83 -6.691 11.718 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.886 9.575 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.915 9.768 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.417 8.546 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.761 8.905 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.021 6.499 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.399 7.444 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.561 6.510 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.737 7.288 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.193 7.350 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.186 8.804 -5.616 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.293 10.039 -6.865 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.521 10.516 -7.478 1.00 0.00 C ATOM 1278 C VAL A 84 -11.695 10.242 -6.535 1.00 0.00 C ATOM 1279 O VAL A 84 -11.743 9.199 -5.884 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.700 9.878 -8.857 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.027 10.303 -9.489 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.523 10.214 -9.773 1.00 0.00 C ATOM 0 H VAL A 84 -9.030 9.088 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.476 11.593 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.723 8.796 -8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.130 9.836 -10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.852 9.989 -8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.046 11.387 -9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.675 9.748 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.454 11.295 -9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.600 9.839 -9.332 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.638 11.221 -6.491 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.808 11.096 -5.639 1.00 0.00 C ATOM 1294 C PRO A 85 -14.814 10.106 -6.232 1.00 0.00 C ATOM 1295 O PRO A 85 -14.990 10.048 -7.448 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.361 12.506 -5.521 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.760 13.288 -6.678 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.614 12.469 -7.248 1.00 0.00 C ATOM 0 HA PRO A 85 -13.571 10.692 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.450 12.504 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.090 12.953 -4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.513 13.476 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.402 14.260 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.749 12.288 -8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.661 12.985 -7.130 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.447 9.353 -5.345 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.430 8.369 -5.765 1.00 0.00 C ATOM 1308 C ALA A 86 -15.770 7.368 -6.716 1.00 0.00 C ATOM 1309 O ALA A 86 -16.292 7.097 -7.796 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.624 9.081 -6.404 1.00 0.00 C ATOM 0 H ALA A 86 -15.298 9.404 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.804 7.810 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.362 8.343 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.075 9.758 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.287 9.650 -7.270 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.633 6.847 -6.279 1.00 0.00 N ATOM 1317 CA ARG A 87 -13.897 5.883 -7.078 1.00 0.00 C ATOM 1318 C ARG A 87 -13.176 4.883 -6.172 1.00 0.00 C ATOM 1319 O ARG A 87 -12.652 5.256 -5.123 1.00 0.00 O ATOM 1320 CB ARG A 87 -12.871 6.579 -7.975 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.498 6.986 -9.310 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.446 7.022 -10.421 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.040 7.564 -11.663 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.498 7.420 -12.880 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -11.347 6.750 -13.026 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -13.108 7.946 -13.952 1.00 0.00 N ATOM 0 H ARG A 87 -14.204 7.074 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.615 5.357 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.479 7.461 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.027 5.913 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.288 6.283 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.964 7.967 -9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.601 7.638 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.060 6.018 -10.600 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.917 8.080 -11.588 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.883 6.349 -12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.935 6.640 -13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.985 8.456 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.695 7.836 -14.878 1.00 0.00 H new ATOM 1340 N SER A 88 -13.172 3.632 -6.609 1.00 0.00 N ATOM 1341 CA SER A 88 -12.524 2.576 -5.850 1.00 0.00 C ATOM 1342 C SER A 88 -11.015 2.600 -6.104 1.00 0.00 C ATOM 1343 O SER A 88 -10.571 2.947 -7.197 1.00 0.00 O ATOM 1344 CB SER A 88 -13.101 1.206 -6.210 1.00 0.00 C ATOM 1345 OG SER A 88 -14.280 0.911 -5.466 1.00 0.00 O ATOM 0 H SER A 88 -13.607 3.326 -7.479 1.00 0.00 H new ATOM 0 HA SER A 88 -12.711 2.752 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.328 1.177 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.352 0.437 -6.023 1.00 0.00 H new ATOM 0 HG SER A 88 -14.933 0.471 -6.049 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.269 2.226 -5.075 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.819 2.200 -5.173 1.00 0.00 C ATOM 1353 C TYR A 89 -8.237 1.034 -4.371 1.00 0.00 C ATOM 1354 O TYR A 89 -8.584 0.841 -3.207 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.332 3.516 -4.563 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.369 4.701 -5.530 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.323 4.911 -6.405 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.450 5.560 -5.527 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.359 6.027 -7.315 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.485 6.676 -6.437 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.438 6.854 -7.286 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.471 7.908 -8.145 1.00 0.00 O ATOM 0 H TYR A 89 -10.641 1.939 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.506 2.079 -6.210 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.946 3.751 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.311 3.383 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.478 4.239 -6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.269 5.395 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.547 6.203 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.324 7.356 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.661 7.586 -9.051 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.360 0.287 -5.027 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.726 -0.855 -4.390 1.00 0.00 C ATOM 1374 C GLN A 90 -5.246 -0.565 -4.133 1.00 0.00 C ATOM 1375 O GLN A 90 -4.713 0.436 -4.611 1.00 0.00 O ATOM 1376 CB GLN A 90 -6.898 -2.119 -5.234 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.080 -2.954 -4.737 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.111 -4.323 -5.420 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.346 -4.610 -6.326 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.034 -5.148 -4.936 1.00 0.00 N ATOM 0 H GLN A 90 -7.074 0.450 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.214 -1.029 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.055 -1.845 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.986 -2.714 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.009 -3.084 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.012 -2.424 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.642 -4.843 -4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.134 -6.086 -5.325 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.623 -1.458 -3.377 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.215 -1.310 -3.051 1.00 0.00 C ATOM 1391 C PHE A 91 -2.568 -2.671 -2.786 1.00 0.00 C ATOM 1392 O PHE A 91 -3.195 -3.559 -2.210 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.138 -0.465 -1.777 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.633 0.971 -1.952 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -2.921 1.849 -2.708 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.786 1.371 -1.352 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.380 3.183 -2.870 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.246 2.704 -1.514 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.534 3.582 -2.270 1.00 0.00 C ATOM 0 H PHE A 91 -5.068 -2.286 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.687 -0.842 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.726 -0.948 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.105 -0.443 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.006 1.531 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.352 0.674 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.813 3.880 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.162 3.021 -1.037 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.885 4.596 -2.394 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.322 -2.792 -3.220 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.583 -4.030 -3.037 1.00 0.00 C ATOM 1411 C ARG A 92 0.906 -3.804 -3.307 1.00 0.00 C ATOM 1412 O ARG A 92 1.325 -3.714 -4.460 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.103 -5.125 -3.970 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.236 -4.606 -5.404 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.230 -5.761 -6.407 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.363 -5.426 -7.559 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.204 -6.337 -8.362 1.00 0.00 C ATOM 1418 NH1 ARG A 92 -0.001 -7.643 -8.144 1.00 0.00 N ATOM 1419 NH2 ARG A 92 0.976 -5.941 -9.384 1.00 0.00 N ATOM 0 H ARG A 92 -0.806 -2.053 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.724 -4.351 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.424 -5.978 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.071 -5.480 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.160 -4.037 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.416 -3.923 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.872 -6.671 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.245 -5.960 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.186 -4.441 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.589 -7.944 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.431 -8.336 -8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.132 -4.947 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.408 -6.634 -9.995 1.00 0.00 H new ATOM 1433 N LEU A 93 1.665 -3.718 -2.224 1.00 0.00 N ATOM 1434 CA LEU A 93 3.098 -3.505 -2.330 1.00 0.00 C ATOM 1435 C LEU A 93 3.830 -4.800 -1.974 1.00 0.00 C ATOM 1436 O LEU A 93 3.278 -5.662 -1.292 1.00 0.00 O ATOM 1437 CB LEU A 93 3.525 -2.305 -1.482 1.00 0.00 C ATOM 1438 CG LEU A 93 3.507 -2.514 0.034 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.289 -1.411 0.749 1.00 0.00 C ATOM 1440 CD2 LEU A 93 2.072 -2.629 0.554 1.00 0.00 C ATOM 0 H LEU A 93 1.314 -3.792 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 93 3.371 -3.256 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.534 -2.018 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.872 -1.466 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 93 4.007 -3.457 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.260 -1.584 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.324 -1.419 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.841 -0.443 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.087 -2.777 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.526 -1.715 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.580 -3.477 0.078 1.00 0.00 H new ATOM 1452 N CYS A 94 5.062 -4.896 -2.452 1.00 0.00 N ATOM 1453 CA CYS A 94 5.875 -6.072 -2.193 1.00 0.00 C ATOM 1454 C CYS A 94 7.184 -5.618 -1.543 1.00 0.00 C ATOM 1455 O CYS A 94 7.438 -4.420 -1.422 1.00 0.00 O ATOM 1456 CB CYS A 94 6.122 -6.881 -3.468 1.00 0.00 C ATOM 1457 SG CYS A 94 7.085 -5.886 -4.664 1.00 0.00 S ATOM 0 H CYS A 94 5.517 -4.179 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 94 5.346 -6.740 -1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.661 -7.798 -3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.171 -7.177 -3.911 1.00 0.00 H new ATOM 0 HG CYS A 94 6.382 -5.704 -5.742 1.00 0.00 H new ATOM 1463 N ALA A 95 7.979 -6.598 -1.141 1.00 0.00 N ATOM 1464 CA ALA A 95 9.255 -6.314 -0.507 1.00 0.00 C ATOM 1465 C ALA A 95 10.379 -6.492 -1.529 1.00 0.00 C ATOM 1466 O ALA A 95 10.506 -7.553 -2.139 1.00 0.00 O ATOM 1467 CB ALA A 95 9.430 -7.217 0.716 1.00 0.00 C ATOM 0 H ALA A 95 7.764 -7.590 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 95 9.288 -5.282 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.387 -7.004 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.623 -7.030 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.404 -8.261 0.404 1.00 0.00 H new ATOM 1473 N VAL A 96 11.168 -5.439 -1.684 1.00 0.00 N ATOM 1474 CA VAL A 96 12.277 -5.466 -2.622 1.00 0.00 C ATOM 1475 C VAL A 96 13.577 -5.155 -1.877 1.00 0.00 C ATOM 1476 O VAL A 96 13.700 -4.106 -1.246 1.00 0.00 O ATOM 1477 CB VAL A 96 12.007 -4.503 -3.780 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.113 -4.589 -4.834 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.634 -4.765 -4.402 1.00 0.00 C ATOM 0 H VAL A 96 11.061 -4.561 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 96 12.382 -6.459 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 96 12.005 -3.489 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.897 -3.895 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.069 -4.330 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.162 -5.604 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.467 -4.067 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.595 -5.786 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.860 -4.628 -3.647 1.00 0.00 H new ATOM 1489 N ASN A 97 14.514 -6.086 -1.974 1.00 0.00 N ATOM 1490 CA ASN A 97 15.800 -5.925 -1.317 1.00 0.00 C ATOM 1491 C ASN A 97 16.919 -6.253 -2.308 1.00 0.00 C ATOM 1492 O ASN A 97 16.655 -6.544 -3.474 1.00 0.00 O ATOM 1493 CB ASN A 97 15.932 -6.874 -0.125 1.00 0.00 C ATOM 1494 CG ASN A 97 15.260 -8.218 -0.416 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.667 -8.431 -1.461 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.385 -9.109 0.564 1.00 0.00 N ATOM 0 H ASN A 97 14.409 -6.955 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 97 15.874 -4.895 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.986 -7.032 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.480 -6.421 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.971 -10.036 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.895 -8.865 1.413 1.00 0.00 H new ATOM 1503 N ASP A 98 18.145 -6.194 -1.809 1.00 0.00 N ATOM 1504 CA ASP A 98 19.304 -6.480 -2.636 1.00 0.00 C ATOM 1505 C ASP A 98 19.099 -7.819 -3.348 1.00 0.00 C ATOM 1506 O ASP A 98 19.195 -7.896 -4.572 1.00 0.00 O ATOM 1507 CB ASP A 98 20.573 -6.586 -1.787 1.00 0.00 C ATOM 1508 CG ASP A 98 21.880 -6.639 -2.582 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.810 -6.394 -3.806 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.918 -6.924 -1.947 1.00 0.00 O ATOM 0 H ASP A 98 18.361 -5.952 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 98 19.416 -5.667 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.611 -5.733 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.505 -7.481 -1.169 1.00 0.00 H new ATOM 1515 N VAL A 99 18.821 -8.840 -2.551 1.00 0.00 N ATOM 1516 CA VAL A 99 18.602 -10.172 -3.090 1.00 0.00 C ATOM 1517 C VAL A 99 17.697 -10.077 -4.320 1.00 0.00 C ATOM 1518 O VAL A 99 17.940 -10.741 -5.326 1.00 0.00 O ATOM 1519 CB VAL A 99 18.039 -11.090 -2.003 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.851 -10.972 -0.711 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.559 -10.796 -1.749 1.00 0.00 C ATOM 0 H VAL A 99 18.742 -8.772 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 99 19.545 -10.613 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 99 18.120 -12.118 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.430 -11.635 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.886 -11.254 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.816 -9.943 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.184 -11.462 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.444 -9.761 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.994 -10.955 -2.667 1.00 0.00 H new ATOM 1531 N GLY A 100 16.672 -9.245 -4.198 1.00 0.00 N ATOM 1532 CA GLY A 100 15.730 -9.055 -5.288 1.00 0.00 C ATOM 1533 C GLY A 100 14.364 -8.611 -4.760 1.00 0.00 C ATOM 1534 O GLY A 100 14.282 -7.918 -3.747 1.00 0.00 O ATOM 0 H GLY A 100 16.474 -8.696 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.116 -8.308 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.623 -9.984 -5.848 1.00 0.00 H new ATOM 1538 N LYS A 101 13.327 -9.028 -5.471 1.00 0.00 N ATOM 1539 CA LYS A 101 11.969 -8.681 -5.087 1.00 0.00 C ATOM 1540 C LYS A 101 11.227 -9.947 -4.653 1.00 0.00 C ATOM 1541 O LYS A 101 11.529 -11.041 -5.129 1.00 0.00 O ATOM 1542 CB LYS A 101 11.272 -7.916 -6.214 1.00 0.00 C ATOM 1543 CG LYS A 101 9.765 -7.827 -5.966 1.00 0.00 C ATOM 1544 CD LYS A 101 9.024 -7.407 -7.237 1.00 0.00 C ATOM 1545 CE LYS A 101 9.426 -5.994 -7.664 1.00 0.00 C ATOM 1546 NZ LYS A 101 9.401 -5.871 -9.139 1.00 0.00 N ATOM 0 H LYS A 101 13.399 -9.603 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 101 11.976 -8.006 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.691 -6.913 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.459 -8.413 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.391 -8.793 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.566 -7.109 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.245 -8.110 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.948 -7.447 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.746 -5.267 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.424 -5.765 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.676 -4.906 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.068 -6.552 -9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.441 -6.069 -9.488 1.00 0.00 H new ATOM 1560 N GLY A 102 10.271 -9.757 -3.756 1.00 0.00 N ATOM 1561 CA GLY A 102 9.484 -10.870 -3.253 1.00 0.00 C ATOM 1562 C GLY A 102 8.126 -10.942 -3.954 1.00 0.00 C ATOM 1563 O GLY A 102 8.060 -11.111 -5.171 1.00 0.00 O ATOM 0 H GLY A 102 10.023 -8.848 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.027 -11.803 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.337 -10.760 -2.179 1.00 0.00 H new ATOM 1567 N GLN A 103 7.077 -10.811 -3.156 1.00 0.00 N ATOM 1568 CA GLN A 103 5.724 -10.860 -3.685 1.00 0.00 C ATOM 1569 C GLN A 103 4.900 -9.691 -3.141 1.00 0.00 C ATOM 1570 O GLN A 103 5.269 -9.079 -2.140 1.00 0.00 O ATOM 1571 CB GLN A 103 5.057 -12.198 -3.363 1.00 0.00 C ATOM 1572 CG GLN A 103 5.057 -12.462 -1.855 1.00 0.00 C ATOM 1573 CD GLN A 103 5.838 -13.735 -1.521 1.00 0.00 C ATOM 1574 OE1 GLN A 103 7.049 -13.730 -1.376 1.00 0.00 O ATOM 1575 NE2 GLN A 103 5.079 -14.821 -1.408 1.00 0.00 N ATOM 0 H GLN A 103 7.136 -10.671 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 103 5.775 -10.770 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.033 -12.197 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.582 -13.003 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.499 -11.613 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.031 -12.556 -1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.070 -14.754 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.506 -15.721 -1.187 1.00 0.00 H new ATOM 1584 N PHE A 104 3.799 -9.417 -3.825 1.00 0.00 N ATOM 1585 CA PHE A 104 2.919 -8.332 -3.423 1.00 0.00 C ATOM 1586 C PHE A 104 1.826 -8.835 -2.477 1.00 0.00 C ATOM 1587 O PHE A 104 1.365 -9.968 -2.602 1.00 0.00 O ATOM 1588 CB PHE A 104 2.265 -7.791 -4.696 1.00 0.00 C ATOM 1589 CG PHE A 104 3.256 -7.197 -5.699 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.029 -8.018 -6.459 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.363 -5.848 -5.832 1.00 0.00 C ATOM 1592 CE1 PHE A 104 4.948 -7.467 -7.391 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.282 -5.297 -6.763 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.055 -6.118 -7.523 1.00 0.00 C ATOM 0 H PHE A 104 3.496 -9.927 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 104 3.490 -7.564 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.713 -8.597 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.538 -7.026 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.944 -9.089 -6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.749 -5.196 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.562 -8.119 -7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.367 -4.225 -6.868 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.754 -5.699 -8.231 1.00 0.00 H new ATOM 1604 N SER A 105 1.444 -7.967 -1.552 1.00 0.00 N ATOM 1605 CA SER A 105 0.414 -8.308 -0.585 1.00 0.00 C ATOM 1606 C SER A 105 -0.951 -8.366 -1.273 1.00 0.00 C ATOM 1607 O SER A 105 -1.154 -7.739 -2.312 1.00 0.00 O ATOM 1608 CB SER A 105 0.385 -7.303 0.568 1.00 0.00 C ATOM 1609 OG SER A 105 0.530 -5.961 0.110 1.00 0.00 O ATOM 0 H SER A 105 1.829 -7.028 -1.451 1.00 0.00 H new ATOM 0 HA SER A 105 0.647 -9.289 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.555 -7.401 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.185 -7.535 1.271 1.00 0.00 H new ATOM 0 HG SER A 105 0.195 -5.344 0.794 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.853 -9.124 -0.667 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.193 -9.272 -1.208 1.00 0.00 C ATOM 1617 C LYS A 106 -3.807 -7.887 -1.423 1.00 0.00 C ATOM 1618 O LYS A 106 -3.297 -6.892 -0.911 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.034 -10.185 -0.314 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.439 -9.469 0.975 1.00 0.00 C ATOM 1621 CD LYS A 106 -5.755 -8.710 0.791 1.00 0.00 C ATOM 1622 CE LYS A 106 -6.921 -9.471 1.424 1.00 0.00 C ATOM 1623 NZ LYS A 106 -7.627 -8.617 2.405 1.00 0.00 N ATOM 0 H LYS A 106 -1.682 -9.643 0.194 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.159 -9.761 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.926 -10.505 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.468 -11.085 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.544 -10.195 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.653 -8.775 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.674 -7.721 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.947 -8.561 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.615 -9.794 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.551 -10.371 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.415 -9.150 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.966 -8.329 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.997 -7.771 1.926 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.893 -7.868 -2.182 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.582 -6.622 -2.471 1.00 0.00 C ATOM 1639 C ASP A 107 -6.316 -6.147 -1.216 1.00 0.00 C ATOM 1640 O ASP A 107 -7.312 -6.745 -0.811 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.617 -6.809 -3.582 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.559 -8.000 -3.393 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.137 -9.120 -3.752 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.680 -7.762 -2.895 1.00 0.00 O ATOM 0 H ASP A 107 -5.313 -8.696 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.838 -5.892 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.215 -5.901 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.093 -6.926 -4.531 1.00 0.00 H new ATOM 1649 N THR A 108 -5.797 -5.076 -0.635 1.00 0.00 N ATOM 1650 CA THR A 108 -6.391 -4.514 0.566 1.00 0.00 C ATOM 1651 C THR A 108 -7.873 -4.212 0.337 1.00 0.00 C ATOM 1652 O THR A 108 -8.286 -3.928 -0.786 1.00 0.00 O ATOM 1653 CB THR A 108 -5.575 -3.282 0.966 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.486 -2.520 -0.235 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.121 -3.626 1.298 1.00 0.00 C ATOM 0 H THR A 108 -4.971 -4.582 -0.974 1.00 0.00 H new ATOM 0 HA THR A 108 -6.360 -5.225 1.392 1.00 0.00 H new ATOM 0 HB THR A 108 -6.040 -2.802 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.148 -1.798 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.586 -2.717 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.094 -4.331 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.645 -4.075 0.426 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.633 -4.284 1.420 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.061 -4.023 1.351 1.00 0.00 C ATOM 1665 C GLU A 109 -10.342 -2.865 0.391 1.00 0.00 C ATOM 1666 O GLU A 109 -9.870 -1.749 0.604 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.633 -3.735 2.741 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.896 -4.560 2.995 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.798 -3.878 4.025 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.298 -2.778 3.703 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -12.968 -4.471 5.112 1.00 0.00 O ATOM 0 H GLU A 109 -8.287 -4.519 2.350 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.557 -4.915 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.886 -3.964 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.863 -2.673 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.441 -4.694 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.621 -5.554 3.349 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.111 -3.170 -0.644 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.461 -2.169 -1.637 1.00 0.00 C ATOM 1680 C ARG A 110 -11.721 -0.820 -0.962 1.00 0.00 C ATOM 1681 O ARG A 110 -12.668 -0.681 -0.190 1.00 0.00 O ATOM 1682 CB ARG A 110 -12.705 -2.585 -2.424 1.00 0.00 C ATOM 1683 CG ARG A 110 -12.597 -2.154 -3.888 1.00 0.00 C ATOM 1684 CD ARG A 110 -13.963 -2.203 -4.576 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.126 -3.490 -5.288 1.00 0.00 N ATOM 1686 CZ ARG A 110 -13.629 -3.743 -6.506 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -12.935 -2.799 -7.156 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -13.826 -4.941 -7.075 1.00 0.00 N ATOM 0 H ARG A 110 -11.502 -4.096 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.622 -2.079 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -12.831 -3.666 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.591 -2.137 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.193 -1.143 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -11.898 -2.806 -4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -14.756 -2.084 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.055 -1.375 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.650 -4.231 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -12.785 -1.888 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.557 -2.992 -8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.354 -5.660 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -13.448 -5.134 -8.002 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.863 0.138 -1.278 1.00 0.00 N ATOM 1703 CA VAL A 111 -10.987 1.471 -0.712 1.00 0.00 C ATOM 1704 C VAL A 111 -11.757 2.364 -1.687 1.00 0.00 C ATOM 1705 O VAL A 111 -11.382 2.484 -2.853 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.604 2.022 -0.361 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.714 3.203 0.605 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.707 0.924 0.214 1.00 0.00 C ATOM 0 H VAL A 111 -10.079 0.018 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.554 1.440 0.218 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.143 2.383 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.717 3.576 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.300 3.998 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.204 2.878 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.730 1.342 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.162 0.519 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.590 0.128 -0.521 1.00 0.00 H new ATOM 1718 N SER A 112 -12.819 2.969 -1.174 1.00 0.00 N ATOM 1719 CA SER A 112 -13.644 3.848 -1.985 1.00 0.00 C ATOM 1720 C SER A 112 -13.391 5.306 -1.599 1.00 0.00 C ATOM 1721 O SER A 112 -13.287 5.630 -0.417 1.00 0.00 O ATOM 1722 CB SER A 112 -15.128 3.508 -1.830 1.00 0.00 C ATOM 1723 OG SER A 112 -15.668 4.016 -0.614 1.00 0.00 O ATOM 0 H SER A 112 -13.127 2.868 -0.207 1.00 0.00 H new ATOM 0 HA SER A 112 -13.373 3.703 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.684 3.919 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.257 2.426 -1.860 1.00 0.00 H new ATOM 0 HG SER A 112 -16.617 3.780 -0.554 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.298 6.147 -2.619 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.059 7.564 -2.401 1.00 0.00 C ATOM 1731 C LEU A 113 -14.370 8.242 -1.999 1.00 0.00 C ATOM 1732 O LEU A 113 -15.445 7.826 -2.427 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.394 8.190 -3.629 1.00 0.00 C ATOM 1734 CG LEU A 113 -10.981 8.739 -3.420 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -11.001 10.262 -3.272 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.298 8.057 -2.233 1.00 0.00 C ATOM 0 H LEU A 113 -13.384 5.874 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.359 7.710 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.358 7.441 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.028 9.001 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.391 8.509 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.984 10.627 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.420 10.710 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.613 10.536 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.295 8.465 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.879 8.234 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -10.232 6.985 -2.418 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.234 9.303 -1.159 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.395 10.043 -0.694 1.00 0.00 C ATOM 1750 C PRO A 114 -15.949 10.945 -1.800 1.00 0.00 C ATOM 1751 O PRO A 114 -15.233 11.792 -2.331 1.00 0.00 O ATOM 1752 CB PRO A 114 -14.907 10.820 0.517 1.00 0.00 C ATOM 1753 CG PRO A 114 -13.391 10.851 0.410 1.00 0.00 C ATOM 1754 CD PRO A 114 -12.976 9.824 -0.632 1.00 0.00 C ATOM 0 HA PRO A 114 -16.228 9.393 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -15.319 11.829 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.223 10.339 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.049 11.845 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -12.936 10.623 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.375 10.279 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -12.373 9.031 -0.189 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.218 10.731 -2.112 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.877 11.514 -3.144 1.00 0.00 C ATOM 1764 C GLU A 115 -17.924 12.990 -2.743 1.00 0.00 C ATOM 1765 O GLU A 115 -18.735 13.384 -1.907 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.281 10.978 -3.427 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.720 11.315 -4.854 1.00 0.00 C ATOM 1768 CD GLU A 115 -20.165 12.775 -4.960 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -21.039 13.162 -4.156 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -19.620 13.471 -5.844 1.00 0.00 O ATOM 0 H GLU A 115 -17.808 10.027 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.298 11.426 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.297 9.898 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.987 11.405 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.897 11.131 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.538 10.659 -5.151 1.00 0.00 H new