USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 LYS NZ :NH3+ -129:sc= -1.16! (180deg=-1.69!) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.792 K(o=-1.2,f=-2.3!) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.381 K(o=-1.2,f=-2.4!) USER MOD Set 3.1: A 36 HIS : no HE2:sc= -8.55! C(o=-13!,f=-9.3!) USER MOD Set 3.2: A 55 GLN : amide:sc= -4.36! K(o=-13!,f=-9.3) USER MOD Set 4.1: A 29 HIS : no HE2:sc= -4.71! C(o=-4.3!,f=-7.4!) USER MOD Set 4.2: A 33 LYS NZ :NH3+ -175:sc= 0.363 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.18) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 24 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 28 ASN : amide:sc= -3.52! C(o=-3.5!,f=-10!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 34 SER OG : rot -56:sc= 0.114 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -5.36 K(o=-5.4,f=-2!) USER MOD Single : A 45 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.004) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0517 USER MOD Single : A 58 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.8!) USER MOD Single : A 62 ASN : amide:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0925) USER MOD Single : A 74 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -156:sc= 0 (180deg=-0.579) USER MOD Single : A 81 ASN : amide:sc= -1.33 K(o=-1.3,f=-9.5!) USER MOD Single : A 85 CYS SG : rot 63:sc= -0.253 USER MOD Single : A 87 ASN : amide:sc= 0.0682 X(o=0.068,f=-0.1) USER MOD Single : A 100 SER OG : rot 29:sc= 0.766 USER MOD Single : A 106 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.0098) USER MOD Single : A 108 ASN : amide:sc= -1.67 K(o=-1.7,f=-8.5!) USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= -1.01 (180deg=-2.56!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 63:sc= 0.294 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 1.971 16.857 -5.728 1.00 0.00 N ATOM 202 CA GLY A 15 1.349 17.180 -4.458 1.00 0.00 C ATOM 203 C GLY A 15 0.781 15.958 -3.764 1.00 0.00 C ATOM 204 O GLY A 15 0.623 14.902 -4.378 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.083 17.655 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.552 17.905 -4.621 1.00 0.00 H new ATOM 208 N LEU A 16 0.474 16.099 -2.479 1.00 0.00 N ATOM 209 CA LEU A 16 -0.079 14.997 -1.699 1.00 0.00 C ATOM 210 C LEU A 16 -1.080 14.194 -2.523 1.00 0.00 C ATOM 211 O LEU A 16 -0.929 12.985 -2.693 1.00 0.00 O ATOM 212 CB LEU A 16 -0.754 15.530 -0.434 1.00 0.00 C ATOM 213 CG LEU A 16 0.170 16.183 0.595 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.643 16.878 1.676 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.102 15.148 1.209 1.00 0.00 C ATOM 0 H LEU A 16 0.599 16.965 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 16 0.742 14.338 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.509 16.259 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.278 14.705 0.049 1.00 0.00 H new ATOM 0 HG LEU A 16 0.777 16.932 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.031 17.337 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.268 17.648 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.275 16.148 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.752 15.631 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.513 14.375 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.710 14.695 0.425 1.00 0.00 H new ATOM 227 N GLU A 17 -2.100 14.876 -3.034 1.00 0.00 N ATOM 228 CA GLU A 17 -3.125 14.226 -3.842 1.00 0.00 C ATOM 229 C GLU A 17 -2.499 13.479 -5.017 1.00 0.00 C ATOM 230 O GLU A 17 -2.894 12.358 -5.335 1.00 0.00 O ATOM 231 CB GLU A 17 -4.131 15.258 -4.357 1.00 0.00 C ATOM 232 CG GLU A 17 -5.019 15.837 -3.269 1.00 0.00 C ATOM 233 CD GLU A 17 -5.994 14.819 -2.709 1.00 0.00 C ATOM 234 OE1 GLU A 17 -7.029 14.566 -3.360 1.00 0.00 O ATOM 235 OE2 GLU A 17 -5.721 14.276 -1.618 1.00 0.00 O ATOM 0 H GLU A 17 -2.239 15.878 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.646 13.505 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.590 16.070 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.758 14.793 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.395 16.220 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.575 16.684 -3.671 1.00 0.00 H new ATOM 242 N ASP A 18 -1.521 14.110 -5.658 1.00 0.00 N ATOM 243 CA ASP A 18 -0.840 13.507 -6.797 1.00 0.00 C ATOM 244 C ASP A 18 -0.141 12.214 -6.389 1.00 0.00 C ATOM 245 O ASP A 18 -0.119 11.244 -7.146 1.00 0.00 O ATOM 246 CB ASP A 18 0.176 14.486 -7.388 1.00 0.00 C ATOM 247 CG ASP A 18 -0.453 15.445 -8.378 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.395 16.167 -7.989 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.003 15.475 -9.543 1.00 0.00 O ATOM 0 H ASP A 18 -1.182 15.039 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.588 13.272 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.641 15.054 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.970 13.927 -7.883 1.00 0.00 H new ATOM 254 N GLN A 19 0.430 12.209 -5.189 1.00 0.00 N ATOM 255 CA GLN A 19 1.132 11.035 -4.682 1.00 0.00 C ATOM 256 C GLN A 19 0.227 9.808 -4.705 1.00 0.00 C ATOM 257 O GLN A 19 0.573 8.778 -5.283 1.00 0.00 O ATOM 258 CB GLN A 19 1.632 11.289 -3.259 1.00 0.00 C ATOM 259 CG GLN A 19 2.496 12.533 -3.130 1.00 0.00 C ATOM 260 CD GLN A 19 3.531 12.413 -2.029 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.426 11.553 -1.154 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.537 13.278 -2.066 1.00 0.00 N ATOM 0 H GLN A 19 0.421 13.004 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 19 1.987 10.845 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.774 11.382 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.204 10.424 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.000 12.721 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.858 13.395 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.584 13.974 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.263 13.247 -1.350 1.00 0.00 H new ATOM 271 N LYS A 20 -0.935 9.924 -4.070 1.00 0.00 N ATOM 272 CA LYS A 20 -1.892 8.825 -4.018 1.00 0.00 C ATOM 273 C LYS A 20 -1.861 8.015 -5.309 1.00 0.00 C ATOM 274 O LYS A 20 -1.916 6.785 -5.283 1.00 0.00 O ATOM 275 CB LYS A 20 -3.304 9.363 -3.774 1.00 0.00 C ATOM 276 CG LYS A 20 -4.392 8.319 -3.956 1.00 0.00 C ATOM 277 CD LYS A 20 -5.708 8.951 -4.377 1.00 0.00 C ATOM 278 CE LYS A 20 -6.864 7.972 -4.246 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.050 8.406 -5.035 1.00 0.00 N ATOM 0 H LYS A 20 -1.237 10.769 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.611 8.170 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.362 9.763 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.491 10.193 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.079 7.594 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.532 7.772 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.903 9.830 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.635 9.293 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.545 6.986 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.141 7.876 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.893 7.893 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.196 9.428 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.891 8.201 -6.042 1.00 0.00 H new ATOM 293 N ARG A 21 -1.772 8.711 -6.438 1.00 0.00 N ATOM 294 CA ARG A 21 -1.734 8.055 -7.739 1.00 0.00 C ATOM 295 C ARG A 21 -0.438 7.268 -7.913 1.00 0.00 C ATOM 296 O ARG A 21 -0.460 6.051 -8.100 1.00 0.00 O ATOM 297 CB ARG A 21 -1.870 9.088 -8.859 1.00 0.00 C ATOM 298 CG ARG A 21 -2.349 8.500 -10.176 1.00 0.00 C ATOM 299 CD ARG A 21 -2.814 9.585 -11.135 1.00 0.00 C ATOM 300 NE ARG A 21 -2.950 9.086 -12.501 1.00 0.00 N ATOM 301 CZ ARG A 21 -3.982 8.362 -12.919 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.963 8.054 -12.082 1.00 0.00 N ATOM 303 NH2 ARG A 21 -4.034 7.945 -14.178 1.00 0.00 N ATOM 0 H ARG A 21 -1.725 9.729 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.572 7.359 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.567 9.864 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.905 9.570 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.542 7.929 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.166 7.804 -9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.771 9.982 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.103 10.411 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.212 9.306 -13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.927 8.373 -11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.754 7.498 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.281 8.181 -14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.827 7.389 -14.499 1.00 0.00 H new ATOM 317 N ILE A 22 0.688 7.971 -7.852 1.00 0.00 N ATOM 318 CA ILE A 22 1.992 7.339 -8.002 1.00 0.00 C ATOM 319 C ILE A 22 2.006 5.950 -7.372 1.00 0.00 C ATOM 320 O ILE A 22 2.355 4.965 -8.023 1.00 0.00 O ATOM 321 CB ILE A 22 3.107 8.190 -7.366 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.218 9.539 -8.079 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.434 7.447 -7.417 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.065 10.548 -7.334 1.00 0.00 C ATOM 0 H ILE A 22 0.723 8.979 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 22 2.179 7.252 -9.072 1.00 0.00 H new ATOM 0 HB ILE A 22 2.854 8.372 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.642 9.383 -9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.218 9.950 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.212 8.061 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.347 6.509 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.695 7.238 -8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.100 11.481 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.630 10.733 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.076 10.158 -7.216 1.00 0.00 H new ATOM 336 N TYR A 23 1.621 5.879 -6.103 1.00 0.00 N ATOM 337 CA TYR A 23 1.590 4.611 -5.383 1.00 0.00 C ATOM 338 C TYR A 23 0.535 3.678 -5.971 1.00 0.00 C ATOM 339 O TYR A 23 0.790 2.494 -6.194 1.00 0.00 O ATOM 340 CB TYR A 23 1.306 4.850 -3.899 1.00 0.00 C ATOM 341 CG TYR A 23 2.326 5.738 -3.223 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.687 5.530 -3.406 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.928 6.785 -2.401 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.623 6.339 -2.790 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.856 7.600 -1.782 1.00 0.00 C ATOM 346 CZ TYR A 23 4.202 7.373 -1.979 1.00 0.00 C ATOM 347 OH TYR A 23 5.130 8.181 -1.364 1.00 0.00 O ATOM 0 H TYR A 23 1.326 6.685 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 23 2.567 4.138 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.319 5.300 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.275 3.890 -3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.020 4.722 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.875 6.965 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.678 6.163 -2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.529 8.410 -1.147 1.00 0.00 H new ATOM 0 HH TYR A 23 4.669 8.861 -0.829 1.00 0.00 H new ATOM 357 N THR A 24 -0.653 4.221 -6.220 1.00 0.00 N ATOM 358 CA THR A 24 -1.748 3.439 -6.781 1.00 0.00 C ATOM 359 C THR A 24 -1.273 2.592 -7.956 1.00 0.00 C ATOM 360 O THR A 24 -1.451 1.374 -7.967 1.00 0.00 O ATOM 361 CB THR A 24 -2.902 4.345 -7.249 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.472 5.031 -6.129 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.978 3.530 -7.952 1.00 0.00 C ATOM 0 H THR A 24 -0.881 5.199 -6.042 1.00 0.00 H new ATOM 0 HA THR A 24 -2.108 2.784 -5.987 1.00 0.00 H new ATOM 0 HB THR A 24 -2.500 5.073 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.011 5.886 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.783 4.191 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.548 3.032 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.375 2.782 -7.265 1.00 0.00 H new ATOM 371 N ASP A 25 -0.667 3.243 -8.942 1.00 0.00 N ATOM 372 CA ASP A 25 -0.164 2.549 -10.122 1.00 0.00 C ATOM 373 C ASP A 25 0.918 1.544 -9.741 1.00 0.00 C ATOM 374 O ASP A 25 0.959 0.432 -10.267 1.00 0.00 O ATOM 375 CB ASP A 25 0.388 3.553 -11.134 1.00 0.00 C ATOM 376 CG ASP A 25 0.875 2.886 -12.405 1.00 0.00 C ATOM 377 OD1 ASP A 25 1.843 2.100 -12.330 1.00 0.00 O ATOM 378 OD2 ASP A 25 0.288 3.148 -13.476 1.00 0.00 O ATOM 0 H ASP A 25 -0.512 4.251 -8.948 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.994 2.007 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.387 4.278 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.210 4.107 -10.680 1.00 0.00 H new ATOM 383 N TRP A 26 1.793 1.944 -8.825 1.00 0.00 N ATOM 384 CA TRP A 26 2.877 1.079 -8.375 1.00 0.00 C ATOM 385 C TRP A 26 2.333 -0.234 -7.823 1.00 0.00 C ATOM 386 O TRP A 26 2.718 -1.313 -8.272 1.00 0.00 O ATOM 387 CB TRP A 26 3.713 1.787 -7.308 1.00 0.00 C ATOM 388 CG TRP A 26 4.761 0.908 -6.693 1.00 0.00 C ATOM 389 CD1 TRP A 26 6.002 0.640 -7.195 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.657 0.182 -5.464 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.676 -0.210 -6.351 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.873 -0.505 -5.282 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.656 0.047 -4.498 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.112 -1.314 -4.174 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.894 -0.757 -3.400 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.114 -1.428 -3.244 1.00 0.00 C ATOM 0 H TRP A 26 1.773 2.861 -8.380 1.00 0.00 H new ATOM 0 HA TRP A 26 3.510 0.856 -9.234 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.195 2.658 -7.753 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.052 2.155 -6.524 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.396 1.037 -8.119 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.621 -0.564 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.713 0.562 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.051 -1.833 -4.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.126 -0.870 -2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.270 -2.047 -2.373 1.00 0.00 H new ATOM 407 N ALA A 27 1.435 -0.134 -6.849 1.00 0.00 N ATOM 408 CA ALA A 27 0.836 -1.314 -6.238 1.00 0.00 C ATOM 409 C ALA A 27 0.016 -2.102 -7.254 1.00 0.00 C ATOM 410 O ALA A 27 0.177 -3.314 -7.390 1.00 0.00 O ATOM 411 CB ALA A 27 -0.032 -0.913 -5.054 1.00 0.00 C ATOM 0 H ALA A 27 1.106 0.752 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 27 1.641 -1.957 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.473 -1.804 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.580 -0.400 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.825 -0.247 -5.393 1.00 0.00 H new ATOM 417 N ASN A 28 -0.865 -1.405 -7.965 1.00 0.00 N ATOM 418 CA ASN A 28 -1.712 -2.040 -8.968 1.00 0.00 C ATOM 419 C ASN A 28 -0.925 -3.075 -9.767 1.00 0.00 C ATOM 420 O ASN A 28 -1.413 -4.174 -10.030 1.00 0.00 O ATOM 421 CB ASN A 28 -2.297 -0.988 -9.912 1.00 0.00 C ATOM 422 CG ASN A 28 -3.615 -0.430 -9.409 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.560 -1.176 -9.152 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.683 0.889 -9.267 1.00 0.00 N ATOM 0 H ASN A 28 -1.011 -0.400 -7.865 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.527 -2.548 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.583 -0.174 -10.032 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.445 -1.430 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.544 1.322 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.874 1.469 -9.492 1.00 0.00 H new ATOM 431 N HIS A 29 0.296 -2.715 -10.151 1.00 0.00 N ATOM 432 CA HIS A 29 1.151 -3.612 -10.920 1.00 0.00 C ATOM 433 C HIS A 29 1.256 -4.975 -10.242 1.00 0.00 C ATOM 434 O HIS A 29 1.121 -6.014 -10.890 1.00 0.00 O ATOM 435 CB HIS A 29 2.544 -3.004 -11.087 1.00 0.00 C ATOM 436 CG HIS A 29 3.597 -4.009 -11.439 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.462 -4.910 -12.474 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.810 -4.250 -10.888 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.546 -5.663 -12.543 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.379 -5.283 -11.591 1.00 0.00 N ATOM 0 H HIS A 29 0.715 -1.809 -9.942 1.00 0.00 H new ATOM 0 HA HIS A 29 0.702 -3.748 -11.904 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.508 -2.241 -11.864 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.826 -2.503 -10.161 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.652 -4.984 -13.090 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.249 -3.727 -10.051 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.721 -6.455 -13.257 1.00 0.00 H new ATOM 449 N TYR A 30 1.499 -4.964 -8.936 1.00 0.00 N ATOM 450 CA TYR A 30 1.625 -6.199 -8.172 1.00 0.00 C ATOM 451 C TYR A 30 0.315 -6.980 -8.176 1.00 0.00 C ATOM 452 O TYR A 30 0.302 -8.197 -7.987 1.00 0.00 O ATOM 453 CB TYR A 30 2.044 -5.892 -6.733 1.00 0.00 C ATOM 454 CG TYR A 30 3.474 -5.416 -6.607 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.523 -6.322 -6.517 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.775 -4.060 -6.577 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.831 -5.891 -6.401 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.079 -3.620 -6.463 1.00 0.00 C ATOM 459 CZ TYR A 30 6.104 -4.539 -6.375 1.00 0.00 C ATOM 460 OH TYR A 30 7.404 -4.105 -6.259 1.00 0.00 O ATOM 0 H TYR A 30 1.613 -4.113 -8.385 1.00 0.00 H new ATOM 0 HA TYR A 30 2.393 -6.811 -8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.379 -5.131 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.913 -6.788 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.313 -7.381 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.975 -3.337 -6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.635 -6.609 -6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.295 -2.562 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 30 7.423 -3.125 -6.257 1.00 0.00 H new ATOM 470 N LEU A 31 -0.787 -6.270 -8.394 1.00 0.00 N ATOM 471 CA LEU A 31 -2.105 -6.895 -8.424 1.00 0.00 C ATOM 472 C LEU A 31 -2.368 -7.547 -9.778 1.00 0.00 C ATOM 473 O LEU A 31 -2.923 -8.642 -9.854 1.00 0.00 O ATOM 474 CB LEU A 31 -3.190 -5.858 -8.126 1.00 0.00 C ATOM 475 CG LEU A 31 -3.416 -5.530 -6.650 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.533 -4.509 -6.495 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.735 -6.795 -5.865 1.00 0.00 C ATOM 0 H LEU A 31 -0.794 -5.262 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.130 -7.669 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.936 -4.935 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.130 -6.214 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.499 -5.099 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.680 -4.288 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.265 -3.594 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.455 -4.913 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.893 -6.542 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.638 -7.255 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.903 -7.494 -5.948 1.00 0.00 H new ATOM 489 N ALA A 32 -1.963 -6.866 -10.845 1.00 0.00 N ATOM 490 CA ALA A 32 -2.151 -7.380 -12.196 1.00 0.00 C ATOM 491 C ALA A 32 -1.219 -8.556 -12.470 1.00 0.00 C ATOM 492 O ALA A 32 -1.639 -9.585 -12.999 1.00 0.00 O ATOM 493 CB ALA A 32 -1.925 -6.276 -13.218 1.00 0.00 C ATOM 0 H ALA A 32 -1.503 -5.957 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.178 -7.735 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.069 -6.675 -14.222 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.635 -5.468 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.909 -5.893 -13.122 1.00 0.00 H new ATOM 499 N LYS A 33 0.049 -8.396 -12.108 1.00 0.00 N ATOM 500 CA LYS A 33 1.042 -9.444 -12.314 1.00 0.00 C ATOM 501 C LYS A 33 0.624 -10.734 -11.618 1.00 0.00 C ATOM 502 O LYS A 33 0.872 -11.831 -12.120 1.00 0.00 O ATOM 503 CB LYS A 33 2.408 -8.990 -11.793 1.00 0.00 C ATOM 504 CG LYS A 33 2.569 -9.148 -10.291 1.00 0.00 C ATOM 505 CD LYS A 33 4.023 -9.017 -9.869 1.00 0.00 C ATOM 506 CE LYS A 33 4.686 -7.813 -10.519 1.00 0.00 C ATOM 507 NZ LYS A 33 6.157 -7.797 -10.287 1.00 0.00 N ATOM 0 H LYS A 33 0.414 -7.550 -11.670 1.00 0.00 H new ATOM 0 HA LYS A 33 1.114 -9.637 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.188 -9.562 -12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.559 -7.944 -12.058 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.971 -8.394 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.186 -10.121 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.081 -8.924 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.565 -9.923 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.488 -7.824 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.246 -6.898 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.560 -6.919 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.348 -7.847 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.592 -8.614 -10.761 1.00 0.00 H new ATOM 521 N SER A 34 -0.014 -10.597 -10.459 1.00 0.00 N ATOM 522 CA SER A 34 -0.465 -11.752 -9.693 1.00 0.00 C ATOM 523 C SER A 34 -1.862 -12.182 -10.129 1.00 0.00 C ATOM 524 O SER A 34 -2.687 -12.578 -9.307 1.00 0.00 O ATOM 525 CB SER A 34 -0.461 -11.432 -8.197 1.00 0.00 C ATOM 526 OG SER A 34 -0.518 -12.616 -7.422 1.00 0.00 O ATOM 0 H SER A 34 -0.230 -9.697 -10.031 1.00 0.00 H new ATOM 0 HA SER A 34 0.225 -12.574 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.439 -10.871 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.312 -10.795 -7.956 1.00 0.00 H new ATOM 0 HG SER A 34 -1.305 -13.139 -7.682 1.00 0.00 H new ATOM 532 N GLY A 35 -2.120 -12.099 -11.431 1.00 0.00 N ATOM 533 CA GLY A 35 -3.418 -12.481 -11.956 1.00 0.00 C ATOM 534 C GLY A 35 -4.552 -12.128 -11.013 1.00 0.00 C ATOM 535 O GLY A 35 -5.229 -13.012 -10.486 1.00 0.00 O ATOM 0 H GLY A 35 -1.453 -11.774 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.579 -11.986 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.428 -13.554 -12.146 1.00 0.00 H new ATOM 539 N HIS A 36 -4.759 -10.833 -10.798 1.00 0.00 N ATOM 540 CA HIS A 36 -5.818 -10.365 -9.911 1.00 0.00 C ATOM 541 C HIS A 36 -6.914 -9.655 -10.701 1.00 0.00 C ATOM 542 O HIS A 36 -6.632 -8.847 -11.586 1.00 0.00 O ATOM 543 CB HIS A 36 -5.245 -9.423 -8.851 1.00 0.00 C ATOM 544 CG HIS A 36 -6.162 -9.203 -7.688 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.079 -9.925 -6.516 1.00 0.00 N ATOM 546 CD2 HIS A 36 -7.185 -8.333 -7.519 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.012 -9.511 -5.678 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.697 -8.544 -6.263 1.00 0.00 N ATOM 0 H HIS A 36 -4.208 -10.089 -11.226 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.255 -11.233 -9.417 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.301 -9.829 -8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.021 -8.462 -9.314 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -5.402 -10.664 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.534 -7.607 -8.239 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.186 -9.897 -4.684 1.00 0.00 H new ATOM 557 N LYS A 37 -8.165 -9.962 -10.375 1.00 0.00 N ATOM 558 CA LYS A 37 -9.304 -9.354 -11.052 1.00 0.00 C ATOM 559 C LYS A 37 -9.851 -8.179 -10.248 1.00 0.00 C ATOM 560 O LYS A 37 -11.042 -8.128 -9.938 1.00 0.00 O ATOM 561 CB LYS A 37 -10.406 -10.393 -11.273 1.00 0.00 C ATOM 562 CG LYS A 37 -9.995 -11.529 -12.193 1.00 0.00 C ATOM 563 CD LYS A 37 -11.200 -12.167 -12.864 1.00 0.00 C ATOM 564 CE LYS A 37 -10.789 -13.014 -14.059 1.00 0.00 C ATOM 565 NZ LYS A 37 -10.059 -14.243 -13.643 1.00 0.00 N ATOM 0 H LYS A 37 -8.416 -10.629 -9.645 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.965 -8.983 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.703 -10.806 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.283 -9.897 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.311 -11.153 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.454 -12.283 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.733 -12.787 -12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.891 -11.389 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.676 -13.293 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.157 -12.423 -14.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.796 -14.793 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.199 -13.977 -13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.671 -14.819 -13.030 1.00 0.00 H new ATOM 579 N ARG A 38 -8.975 -7.237 -9.914 1.00 0.00 N ATOM 580 CA ARG A 38 -9.372 -6.063 -9.146 1.00 0.00 C ATOM 581 C ARG A 38 -8.201 -5.098 -8.984 1.00 0.00 C ATOM 582 O ARG A 38 -7.089 -5.506 -8.646 1.00 0.00 O ATOM 583 CB ARG A 38 -9.897 -6.480 -7.771 1.00 0.00 C ATOM 584 CG ARG A 38 -9.866 -5.361 -6.742 1.00 0.00 C ATOM 585 CD ARG A 38 -10.497 -5.795 -5.428 1.00 0.00 C ATOM 586 NE ARG A 38 -10.100 -7.148 -5.051 1.00 0.00 N ATOM 587 CZ ARG A 38 -10.750 -8.240 -5.437 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.823 -8.139 -6.210 1.00 0.00 N ATOM 589 NH2 ARG A 38 -10.326 -9.437 -5.052 1.00 0.00 N ATOM 0 H ARG A 38 -7.986 -7.264 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.167 -5.555 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.921 -6.838 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.303 -7.317 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.835 -5.054 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.396 -4.492 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.208 -5.100 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.583 -5.746 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.278 -7.261 -4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.151 -7.221 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.320 -8.979 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.500 -9.519 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.826 -10.275 -5.349 1.00 0.00 H new ATOM 603 N LEU A 39 -8.458 -3.818 -9.228 1.00 0.00 N ATOM 604 CA LEU A 39 -7.426 -2.794 -9.110 1.00 0.00 C ATOM 605 C LEU A 39 -7.681 -1.900 -7.901 1.00 0.00 C ATOM 606 O LEU A 39 -8.609 -2.137 -7.126 1.00 0.00 O ATOM 607 CB LEU A 39 -7.371 -1.947 -10.382 1.00 0.00 C ATOM 608 CG LEU A 39 -6.857 -2.654 -11.637 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.735 -1.671 -12.791 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.520 -3.325 -11.361 1.00 0.00 C ATOM 0 H LEU A 39 -9.373 -3.464 -9.509 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.467 -3.295 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.373 -1.569 -10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.737 -1.081 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.576 -3.424 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.368 -2.192 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.712 -1.238 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.037 -0.878 -12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.169 -3.823 -12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.792 -2.574 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.639 -4.060 -10.565 1.00 0.00 H new ATOM 622 N ILE A 40 -6.854 -0.871 -7.747 1.00 0.00 N ATOM 623 CA ILE A 40 -6.993 0.060 -6.635 1.00 0.00 C ATOM 624 C ILE A 40 -7.644 1.364 -7.087 1.00 0.00 C ATOM 625 O ILE A 40 -7.060 2.125 -7.858 1.00 0.00 O ATOM 626 CB ILE A 40 -5.630 0.376 -5.991 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.035 -0.885 -5.361 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.778 1.476 -4.950 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.547 -0.788 -5.107 1.00 0.00 C ATOM 0 H ILE A 40 -6.081 -0.662 -8.379 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.631 -0.425 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.950 0.727 -6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.544 -1.086 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.229 -1.735 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.806 1.688 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.163 2.378 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.471 1.151 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.193 -1.717 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.027 -0.618 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.347 0.041 -4.428 1.00 0.00 H new ATOM 641 N ARG A 41 -8.855 1.614 -6.600 1.00 0.00 N ATOM 642 CA ARG A 41 -9.584 2.826 -6.954 1.00 0.00 C ATOM 643 C ARG A 41 -9.150 3.997 -6.077 1.00 0.00 C ATOM 644 O ARG A 41 -8.567 4.966 -6.564 1.00 0.00 O ATOM 645 CB ARG A 41 -11.091 2.599 -6.811 1.00 0.00 C ATOM 646 CG ARG A 41 -11.710 1.861 -7.987 1.00 0.00 C ATOM 647 CD ARG A 41 -12.171 2.825 -9.069 1.00 0.00 C ATOM 648 NE ARG A 41 -13.017 2.168 -10.062 1.00 0.00 N ATOM 649 CZ ARG A 41 -13.808 2.825 -10.903 1.00 0.00 C ATOM 650 NH1 ARG A 41 -13.861 4.150 -10.872 1.00 0.00 N ATOM 651 NH2 ARG A 41 -14.548 2.157 -11.779 1.00 0.00 N ATOM 0 H ARG A 41 -9.352 0.994 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.356 3.068 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.280 2.034 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.586 3.563 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.983 1.164 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.557 1.268 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.721 3.648 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.301 3.258 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.999 1.149 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.293 4.668 -10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.469 4.651 -11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.510 1.138 -11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.155 2.662 -12.424 1.00 0.00 H new ATOM 665 N ASP A 42 -9.439 3.901 -4.784 1.00 0.00 N ATOM 666 CA ASP A 42 -9.079 4.952 -3.840 1.00 0.00 C ATOM 667 C ASP A 42 -8.060 4.443 -2.824 1.00 0.00 C ATOM 668 O ASP A 42 -8.420 3.799 -1.838 1.00 0.00 O ATOM 669 CB ASP A 42 -10.324 5.468 -3.118 1.00 0.00 C ATOM 670 CG ASP A 42 -11.114 6.452 -3.957 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.377 6.147 -5.140 1.00 0.00 O ATOM 672 OD2 ASP A 42 -11.471 7.527 -3.432 1.00 0.00 O ATOM 0 H ASP A 42 -9.922 3.106 -4.366 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.629 5.771 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.963 4.625 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.027 5.947 -2.185 1.00 0.00 H new ATOM 677 N LEU A 43 -6.788 4.736 -3.072 1.00 0.00 N ATOM 678 CA LEU A 43 -5.717 4.308 -2.179 1.00 0.00 C ATOM 679 C LEU A 43 -6.153 4.402 -0.721 1.00 0.00 C ATOM 680 O LEU A 43 -5.816 3.544 0.094 1.00 0.00 O ATOM 681 CB LEU A 43 -4.467 5.160 -2.406 1.00 0.00 C ATOM 682 CG LEU A 43 -3.157 4.588 -1.862 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.743 3.357 -2.653 1.00 0.00 C ATOM 684 CD2 LEU A 43 -2.060 5.641 -1.897 1.00 0.00 C ATOM 0 H LEU A 43 -6.473 5.268 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.485 3.267 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.352 5.322 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.630 6.137 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.315 4.292 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.809 2.964 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.520 2.596 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.603 3.627 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.135 5.216 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.903 5.969 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.354 6.494 -1.285 1.00 0.00 H new ATOM 696 N GLN A 44 -6.906 5.450 -0.400 1.00 0.00 N ATOM 697 CA GLN A 44 -7.389 5.654 0.961 1.00 0.00 C ATOM 698 C GLN A 44 -8.382 4.567 1.355 1.00 0.00 C ATOM 699 O GLN A 44 -8.287 3.990 2.438 1.00 0.00 O ATOM 700 CB GLN A 44 -8.043 7.031 1.090 1.00 0.00 C ATOM 701 CG GLN A 44 -7.052 8.182 1.055 1.00 0.00 C ATOM 702 CD GLN A 44 -7.727 9.530 0.893 1.00 0.00 C ATOM 703 OE1 GLN A 44 -8.785 9.636 0.272 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.118 10.568 1.453 1.00 0.00 N ATOM 0 H GLN A 44 -7.194 6.170 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.534 5.600 1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.764 7.159 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.602 7.072 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.468 8.181 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.353 8.029 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.242 10.434 1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.526 11.500 1.378 1.00 0.00 H new ATOM 713 N GLN A 45 -9.334 4.292 0.469 1.00 0.00 N ATOM 714 CA GLN A 45 -10.345 3.273 0.726 1.00 0.00 C ATOM 715 C GLN A 45 -9.829 1.887 0.355 1.00 0.00 C ATOM 716 O GLN A 45 -10.475 0.878 0.636 1.00 0.00 O ATOM 717 CB GLN A 45 -11.621 3.582 -0.059 1.00 0.00 C ATOM 718 CG GLN A 45 -12.486 4.655 0.582 1.00 0.00 C ATOM 719 CD GLN A 45 -13.499 4.085 1.555 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.510 4.436 2.735 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.358 3.199 1.064 1.00 0.00 N ATOM 0 H GLN A 45 -9.426 4.760 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.571 3.282 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.350 3.899 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.206 2.668 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.847 5.367 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.009 5.209 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.313 2.937 0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.063 2.781 1.672 1.00 0.00 H new ATOM 730 N ASP A 46 -8.661 1.846 -0.277 1.00 0.00 N ATOM 731 CA ASP A 46 -8.057 0.583 -0.685 1.00 0.00 C ATOM 732 C ASP A 46 -7.148 0.036 0.411 1.00 0.00 C ATOM 733 O ASP A 46 -6.596 -1.057 0.285 1.00 0.00 O ATOM 734 CB ASP A 46 -7.261 0.769 -1.979 1.00 0.00 C ATOM 735 CG ASP A 46 -8.109 0.550 -3.216 1.00 0.00 C ATOM 736 OD1 ASP A 46 -8.783 1.507 -3.652 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.098 -0.579 -3.750 1.00 0.00 O ATOM 0 H ASP A 46 -8.114 2.673 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.858 -0.135 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.842 1.775 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.422 0.073 -1.989 1.00 0.00 H new ATOM 742 N VAL A 47 -6.997 0.803 1.486 1.00 0.00 N ATOM 743 CA VAL A 47 -6.156 0.395 2.604 1.00 0.00 C ATOM 744 C VAL A 47 -6.918 0.474 3.923 1.00 0.00 C ATOM 745 O VAL A 47 -6.447 -0.005 4.955 1.00 0.00 O ATOM 746 CB VAL A 47 -4.891 1.267 2.703 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.139 1.270 1.380 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.252 2.684 3.122 1.00 0.00 C ATOM 0 H VAL A 47 -7.447 1.711 1.606 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.863 -0.638 2.418 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.237 0.842 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.248 1.892 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.847 0.251 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.783 1.669 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.346 3.286 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.926 3.121 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.743 2.662 4.095 1.00 0.00 H new ATOM 758 N THR A 48 -8.100 1.082 3.881 1.00 0.00 N ATOM 759 CA THR A 48 -8.928 1.225 5.072 1.00 0.00 C ATOM 760 C THR A 48 -9.295 -0.136 5.653 1.00 0.00 C ATOM 761 O THR A 48 -9.265 -0.331 6.868 1.00 0.00 O ATOM 762 CB THR A 48 -10.220 2.006 4.768 1.00 0.00 C ATOM 763 OG1 THR A 48 -10.802 1.533 3.548 1.00 0.00 O ATOM 764 CG2 THR A 48 -9.938 3.496 4.656 1.00 0.00 C ATOM 0 H THR A 48 -8.505 1.483 3.035 1.00 0.00 H new ATOM 0 HA THR A 48 -8.339 1.782 5.801 1.00 0.00 H new ATOM 0 HB THR A 48 -10.918 1.845 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.624 2.033 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.865 4.027 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.522 3.859 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.224 3.672 3.851 1.00 0.00 H new ATOM 772 N ASP A 49 -9.639 -1.074 4.778 1.00 0.00 N ATOM 773 CA ASP A 49 -10.011 -2.418 5.204 1.00 0.00 C ATOM 774 C ASP A 49 -8.771 -3.265 5.474 1.00 0.00 C ATOM 775 O ASP A 49 -8.787 -4.156 6.322 1.00 0.00 O ATOM 776 CB ASP A 49 -10.881 -3.091 4.142 1.00 0.00 C ATOM 777 CG ASP A 49 -10.424 -2.773 2.732 1.00 0.00 C ATOM 778 OD1 ASP A 49 -9.478 -3.431 2.253 1.00 0.00 O ATOM 779 OD2 ASP A 49 -11.012 -1.864 2.108 1.00 0.00 O ATOM 0 H ASP A 49 -9.668 -0.928 3.769 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.581 -2.334 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.862 -4.170 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.915 -2.770 4.267 1.00 0.00 H new ATOM 784 N GLY A 50 -7.696 -2.980 4.745 1.00 0.00 N ATOM 785 CA GLY A 50 -6.462 -3.725 4.920 1.00 0.00 C ATOM 786 C GLY A 50 -6.408 -4.968 4.054 1.00 0.00 C ATOM 787 O GLY A 50 -5.329 -5.417 3.666 1.00 0.00 O ATOM 0 H GLY A 50 -7.657 -2.247 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.616 -3.082 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.359 -4.010 5.967 1.00 0.00 H new ATOM 791 N VAL A 51 -7.575 -5.528 3.752 1.00 0.00 N ATOM 792 CA VAL A 51 -7.657 -6.728 2.927 1.00 0.00 C ATOM 793 C VAL A 51 -6.965 -6.520 1.585 1.00 0.00 C ATOM 794 O VAL A 51 -5.935 -7.133 1.303 1.00 0.00 O ATOM 795 CB VAL A 51 -9.120 -7.141 2.680 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.183 -8.408 1.841 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.850 -7.330 4.002 1.00 0.00 C ATOM 0 H VAL A 51 -8.477 -5.170 4.066 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.151 -7.523 3.474 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.616 -6.343 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.225 -8.684 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.698 -8.233 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.671 -9.216 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.882 -7.622 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.355 -8.109 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.836 -6.395 4.562 1.00 0.00 H new ATOM 807 N LEU A 52 -7.538 -5.651 0.759 1.00 0.00 N ATOM 808 CA LEU A 52 -6.976 -5.361 -0.556 1.00 0.00 C ATOM 809 C LEU A 52 -5.519 -4.924 -0.441 1.00 0.00 C ATOM 810 O LEU A 52 -4.686 -5.282 -1.274 1.00 0.00 O ATOM 811 CB LEU A 52 -7.794 -4.271 -1.252 1.00 0.00 C ATOM 812 CG LEU A 52 -7.865 -4.357 -2.777 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.710 -3.222 -3.336 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.468 -4.330 -3.379 1.00 0.00 C ATOM 0 H LEU A 52 -8.391 -5.135 0.976 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.016 -6.273 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.810 -4.300 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.375 -3.302 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.337 -5.302 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.750 -3.299 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.720 -3.286 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.267 -2.266 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.539 -4.392 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.970 -3.402 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.894 -5.177 -3.004 1.00 0.00 H new ATOM 826 N LEU A 53 -5.219 -4.151 0.596 1.00 0.00 N ATOM 827 CA LEU A 53 -3.861 -3.667 0.822 1.00 0.00 C ATOM 828 C LEU A 53 -2.875 -4.829 0.900 1.00 0.00 C ATOM 829 O LEU A 53 -1.893 -4.873 0.159 1.00 0.00 O ATOM 830 CB LEU A 53 -3.799 -2.844 2.109 1.00 0.00 C ATOM 831 CG LEU A 53 -2.466 -2.867 2.858 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.334 -2.422 1.947 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.535 -1.986 4.097 1.00 0.00 C ATOM 0 H LEU A 53 -5.897 -3.846 1.294 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.583 -3.034 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.038 -1.809 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.578 -3.202 2.783 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.267 -3.891 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.394 -2.445 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.270 -3.094 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.525 -1.407 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.578 -2.015 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.757 -0.960 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.319 -2.351 4.760 1.00 0.00 H new ATOM 845 N ALA A 54 -3.145 -5.768 1.801 1.00 0.00 N ATOM 846 CA ALA A 54 -2.284 -6.931 1.973 1.00 0.00 C ATOM 847 C ALA A 54 -2.091 -7.671 0.653 1.00 0.00 C ATOM 848 O ALA A 54 -0.974 -8.050 0.302 1.00 0.00 O ATOM 849 CB ALA A 54 -2.864 -7.866 3.024 1.00 0.00 C ATOM 0 H ALA A 54 -3.953 -5.746 2.423 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.308 -6.583 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.211 -8.730 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.945 -7.339 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.853 -8.199 2.709 1.00 0.00 H new ATOM 855 N GLN A 55 -3.186 -7.873 -0.072 1.00 0.00 N ATOM 856 CA GLN A 55 -3.136 -8.569 -1.352 1.00 0.00 C ATOM 857 C GLN A 55 -1.891 -8.173 -2.139 1.00 0.00 C ATOM 858 O GLN A 55 -1.383 -8.950 -2.948 1.00 0.00 O ATOM 859 CB GLN A 55 -4.391 -8.263 -2.172 1.00 0.00 C ATOM 860 CG GLN A 55 -5.679 -8.723 -1.509 1.00 0.00 C ATOM 861 CD GLN A 55 -6.788 -8.988 -2.507 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.410 -10.051 -2.494 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.042 -8.021 -3.381 1.00 0.00 N ATOM 0 H GLN A 55 -4.118 -7.565 0.205 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.092 -9.640 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.447 -7.189 -2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.303 -8.742 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.485 -9.631 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.008 -7.964 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.502 -7.156 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.777 -8.143 -4.077 1.00 0.00 H new ATOM 872 N ILE A 56 -1.405 -6.961 -1.897 1.00 0.00 N ATOM 873 CA ILE A 56 -0.219 -6.462 -2.582 1.00 0.00 C ATOM 874 C ILE A 56 1.049 -6.809 -1.809 1.00 0.00 C ATOM 875 O ILE A 56 1.979 -7.401 -2.357 1.00 0.00 O ATOM 876 CB ILE A 56 -0.284 -4.937 -2.783 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.543 -4.556 -3.564 1.00 0.00 C ATOM 878 CG2 ILE A 56 0.962 -4.444 -3.503 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.067 -3.177 -3.232 1.00 0.00 C ATOM 0 H ILE A 56 -1.814 -6.306 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.191 -6.947 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.328 -4.458 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.328 -4.606 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.323 -5.290 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.901 -3.364 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.844 -4.687 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.035 -4.928 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.960 -2.975 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.315 -3.127 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.304 -2.433 -3.462 1.00 0.00 H new ATOM 891 N ILE A 57 1.078 -6.437 -0.534 1.00 0.00 N ATOM 892 CA ILE A 57 2.230 -6.711 0.315 1.00 0.00 C ATOM 893 C ILE A 57 2.677 -8.163 0.184 1.00 0.00 C ATOM 894 O ILE A 57 3.866 -8.446 0.039 1.00 0.00 O ATOM 895 CB ILE A 57 1.923 -6.413 1.795 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.453 -4.966 1.959 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.151 -6.677 2.654 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.021 -4.627 3.368 1.00 0.00 C ATOM 0 H ILE A 57 0.317 -5.945 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 57 3.032 -6.054 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 57 1.123 -7.075 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.260 -4.295 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.621 -4.783 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.919 -6.462 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.446 -7.722 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.969 -6.037 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.701 -3.586 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.193 -5.273 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.857 -4.777 4.051 1.00 0.00 H new ATOM 910 N GLN A 58 1.715 -9.080 0.234 1.00 0.00 N ATOM 911 CA GLN A 58 2.010 -10.503 0.119 1.00 0.00 C ATOM 912 C GLN A 58 2.716 -10.808 -1.199 1.00 0.00 C ATOM 913 O GLN A 58 3.499 -11.754 -1.291 1.00 0.00 O ATOM 914 CB GLN A 58 0.723 -11.322 0.223 1.00 0.00 C ATOM 915 CG GLN A 58 0.196 -11.450 1.644 1.00 0.00 C ATOM 916 CD GLN A 58 -0.955 -12.430 1.754 1.00 0.00 C ATOM 917 OE1 GLN A 58 -0.759 -13.644 1.695 1.00 0.00 O ATOM 918 NE2 GLN A 58 -2.165 -11.907 1.915 1.00 0.00 N ATOM 0 H GLN A 58 0.726 -8.862 0.353 1.00 0.00 H new ATOM 0 HA GLN A 58 2.674 -10.778 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.043 -10.860 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.903 -12.319 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.005 -11.771 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.130 -10.471 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.281 -10.895 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.978 -12.518 1.995 1.00 0.00 H new ATOM 927 N VAL A 59 2.433 -10.001 -2.216 1.00 0.00 N ATOM 928 CA VAL A 59 3.040 -10.185 -3.529 1.00 0.00 C ATOM 929 C VAL A 59 4.429 -9.557 -3.584 1.00 0.00 C ATOM 930 O VAL A 59 5.417 -10.233 -3.868 1.00 0.00 O ATOM 931 CB VAL A 59 2.168 -9.574 -4.642 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.835 -9.745 -5.998 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.782 -10.202 -4.637 1.00 0.00 C ATOM 0 H VAL A 59 1.787 -9.214 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 59 3.123 -11.260 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 59 2.059 -8.507 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.204 -9.307 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.803 -9.244 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.976 -10.806 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.179 -9.759 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.868 -11.276 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.304 -10.022 -3.674 1.00 0.00 H new ATOM 943 N VAL A 60 4.496 -8.258 -3.311 1.00 0.00 N ATOM 944 CA VAL A 60 5.763 -7.537 -3.328 1.00 0.00 C ATOM 945 C VAL A 60 6.722 -8.088 -2.279 1.00 0.00 C ATOM 946 O VAL A 60 7.940 -7.982 -2.420 1.00 0.00 O ATOM 947 CB VAL A 60 5.557 -6.031 -3.079 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.843 -5.802 -1.755 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.890 -5.299 -3.109 1.00 0.00 C ATOM 0 H VAL A 60 3.687 -7.683 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 60 6.193 -7.677 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 60 4.931 -5.630 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.706 -4.732 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.870 -6.293 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.441 -6.216 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.726 -4.236 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.543 -5.700 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.358 -5.436 -4.084 1.00 0.00 H new ATOM 959 N ALA A 61 6.164 -8.677 -1.226 1.00 0.00 N ATOM 960 CA ALA A 61 6.970 -9.247 -0.154 1.00 0.00 C ATOM 961 C ALA A 61 7.171 -10.745 -0.355 1.00 0.00 C ATOM 962 O ALA A 61 7.974 -11.371 0.335 1.00 0.00 O ATOM 963 CB ALA A 61 6.321 -8.976 1.196 1.00 0.00 C ATOM 0 H ALA A 61 5.157 -8.772 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 61 7.950 -8.769 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.934 -9.407 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.235 -7.900 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.329 -9.426 1.219 1.00 0.00 H new ATOM 969 N ASN A 62 6.433 -11.314 -1.303 1.00 0.00 N ATOM 970 CA ASN A 62 6.530 -12.740 -1.594 1.00 0.00 C ATOM 971 C ASN A 62 6.262 -13.570 -0.341 1.00 0.00 C ATOM 972 O ASN A 62 6.834 -14.644 -0.163 1.00 0.00 O ATOM 973 CB ASN A 62 7.913 -13.075 -2.155 1.00 0.00 C ATOM 974 CG ASN A 62 8.282 -12.205 -3.341 1.00 0.00 C ATOM 975 OD1 ASN A 62 8.013 -12.556 -4.490 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.902 -11.063 -3.066 1.00 0.00 N ATOM 0 H ASN A 62 5.762 -10.810 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 62 5.774 -12.985 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.660 -12.951 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.936 -14.123 -2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.175 -10.436 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.105 -10.813 -2.098 1.00 0.00 H new ATOM 983 N GLU A 63 5.388 -13.063 0.522 1.00 0.00 N ATOM 984 CA GLU A 63 5.045 -13.757 1.758 1.00 0.00 C ATOM 985 C GLU A 63 3.548 -13.663 2.037 1.00 0.00 C ATOM 986 O GLU A 63 2.825 -12.923 1.369 1.00 0.00 O ATOM 987 CB GLU A 63 5.832 -13.173 2.933 1.00 0.00 C ATOM 988 CG GLU A 63 6.125 -14.182 4.030 1.00 0.00 C ATOM 989 CD GLU A 63 6.712 -15.474 3.494 1.00 0.00 C ATOM 990 OE1 GLU A 63 7.738 -15.409 2.784 1.00 0.00 O ATOM 991 OE2 GLU A 63 6.146 -16.548 3.783 1.00 0.00 O ATOM 0 H GLU A 63 4.905 -12.175 0.389 1.00 0.00 H new ATOM 0 HA GLU A 63 5.310 -14.808 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.774 -12.767 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.271 -12.340 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.818 -13.742 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.205 -14.402 4.571 1.00 0.00 H new ATOM 998 N LYS A 64 3.088 -14.419 3.028 1.00 0.00 N ATOM 999 CA LYS A 64 1.678 -14.422 3.399 1.00 0.00 C ATOM 1000 C LYS A 64 1.494 -13.979 4.846 1.00 0.00 C ATOM 1001 O LYS A 64 2.248 -14.386 5.730 1.00 0.00 O ATOM 1002 CB LYS A 64 1.081 -15.817 3.202 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.326 -15.960 3.756 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.625 -17.395 4.156 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.601 -17.457 5.321 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.173 -18.821 5.494 1.00 0.00 N ATOM 0 H LYS A 64 3.672 -15.038 3.589 1.00 0.00 H new ATOM 0 HA LYS A 64 1.157 -13.715 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.069 -16.051 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.728 -16.551 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.445 -15.308 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.048 -15.632 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.040 -17.933 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.302 -17.898 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.092 -17.158 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.408 -16.743 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.833 -18.821 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.681 -19.097 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.405 -19.499 5.676 1.00 0.00 H new ATOM 1020 N ILE A 65 0.488 -13.143 5.082 1.00 0.00 N ATOM 1021 CA ILE A 65 0.205 -12.648 6.423 1.00 0.00 C ATOM 1022 C ILE A 65 -0.906 -13.456 7.084 1.00 0.00 C ATOM 1023 O ILE A 65 -2.055 -13.426 6.644 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.200 -11.162 6.400 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.772 -10.359 5.533 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.243 -10.603 7.814 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.323 -8.937 5.280 1.00 0.00 C ATOM 0 H ILE A 65 -0.144 -12.795 4.362 1.00 0.00 H new ATOM 0 HA ILE A 65 1.123 -12.757 7.000 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.197 -11.079 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.749 -10.342 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.898 -10.867 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.531 -9.552 7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.971 -11.160 8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.742 -10.695 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.060 -8.428 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.639 -8.945 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.224 -8.412 6.230 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.556 -14.175 8.145 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.525 -14.991 8.869 1.00 0.00 C ATOM 1041 C GLU A 66 -2.448 -14.118 9.713 1.00 0.00 C ATOM 1042 O GLU A 66 -3.592 -14.484 9.983 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.806 -16.005 9.761 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.116 -17.116 8.987 1.00 0.00 C ATOM 1045 CD GLU A 66 0.201 -18.320 9.853 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.800 -18.132 10.933 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.148 -19.449 9.450 1.00 0.00 O ATOM 0 H GLU A 66 0.391 -14.210 8.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.130 -15.527 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.066 -15.482 10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.527 -16.447 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.753 -17.426 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.807 -16.732 8.553 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.942 -12.961 10.128 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.721 -12.035 10.942 1.00 0.00 C ATOM 1056 C ASP A 67 -3.684 -11.228 10.077 1.00 0.00 C ATOM 1057 O ASP A 67 -3.815 -10.015 10.242 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.792 -11.091 11.708 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.308 -11.690 13.014 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -2.116 -12.350 13.701 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -0.121 -11.499 13.350 1.00 0.00 O ATOM 0 H ASP A 67 -0.997 -12.643 9.914 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.303 -12.619 11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.933 -10.845 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.315 -10.157 11.912 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.354 -11.910 9.154 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.305 -11.257 8.263 1.00 0.00 C ATOM 1068 C ILE A 68 -6.710 -11.817 8.452 1.00 0.00 C ATOM 1069 O ILE A 68 -6.916 -13.029 8.415 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.895 -11.418 6.787 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.506 -10.820 6.552 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.922 -10.759 5.877 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.463 -9.316 6.701 1.00 0.00 C ATOM 0 H ILE A 68 -4.256 -12.914 9.004 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.301 -10.198 8.520 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.857 -12.481 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.803 -11.267 7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.169 -11.088 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.618 -10.881 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.895 -11.226 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.989 -9.697 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.448 -8.961 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.141 -8.859 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.769 -9.041 7.710 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.675 -10.925 8.654 1.00 0.00 N ATOM 1086 CA ASN A 69 -9.062 -11.330 8.848 1.00 0.00 C ATOM 1087 C ASN A 69 -9.697 -11.749 7.526 1.00 0.00 C ATOM 1088 O ASN A 69 -10.165 -12.877 7.380 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.866 -10.188 9.474 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.321 -10.557 9.691 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.722 -11.700 9.474 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.118 -9.587 10.123 1.00 0.00 N ATOM 0 H ASN A 69 -7.521 -9.917 8.688 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.073 -12.186 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.418 -9.912 10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.809 -9.311 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.107 -9.775 10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.742 -8.654 10.290 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.708 -10.831 6.564 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.287 -11.124 5.266 1.00 0.00 C ATOM 1101 C GLY A 70 -11.701 -10.597 5.129 1.00 0.00 C ATOM 1102 O GLY A 70 -12.101 -10.142 4.057 1.00 0.00 O ATOM 0 H GLY A 70 -9.326 -9.890 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.663 -10.687 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.288 -12.202 5.107 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.461 -10.659 6.217 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.841 -10.186 6.214 1.00 0.00 C ATOM 1108 C CYS A 71 -14.095 -9.243 7.385 1.00 0.00 C ATOM 1109 O CYS A 71 -14.750 -9.594 8.367 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.808 -11.370 6.277 1.00 0.00 C ATOM 1111 SG CYS A 71 -15.035 -12.223 4.700 1.00 0.00 S ATOM 0 H CYS A 71 -12.145 -11.032 7.112 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.009 -9.638 5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.443 -12.084 7.015 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.777 -11.016 6.629 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.867 -13.209 4.856 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.565 -8.015 7.282 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.720 -6.996 8.324 1.00 0.00 C ATOM 1119 C PRO A 72 -15.151 -6.476 8.418 1.00 0.00 C ATOM 1120 O PRO A 72 -15.607 -5.724 7.557 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.775 -5.880 7.872 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.667 -6.049 6.396 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.773 -7.527 6.140 1.00 0.00 C ATOM 0 HA PRO A 72 -13.494 -7.389 9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.171 -4.898 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.801 -5.967 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.460 -5.506 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.720 -5.656 6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.266 -7.736 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.791 -7.999 6.100 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.854 -6.882 9.470 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.233 -6.456 9.679 1.00 0.00 C ATOM 1133 C LYS A 73 -17.332 -5.490 10.855 1.00 0.00 C ATOM 1134 O LYS A 73 -17.957 -4.435 10.752 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.131 -7.671 9.926 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.680 -8.290 8.652 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.945 -9.089 8.921 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.644 -10.366 9.692 1.00 0.00 C ATOM 1139 NZ LYS A 73 -18.943 -11.372 8.847 1.00 0.00 N ATOM 0 H LYS A 73 -15.491 -7.506 10.191 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.568 -5.940 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.565 -8.426 10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.963 -7.373 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.892 -7.505 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.926 -8.939 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.649 -8.479 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.427 -9.338 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.029 -10.129 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.575 -10.792 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.936 -12.291 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.438 -11.466 7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.965 -11.062 8.678 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.711 -5.857 11.971 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.728 -5.021 13.166 1.00 0.00 C ATOM 1155 C ASN A 74 -16.026 -3.691 12.910 1.00 0.00 C ATOM 1156 O ASN A 74 -15.354 -3.518 11.893 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.057 -5.749 14.332 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.633 -5.344 15.675 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -17.756 -4.846 15.756 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -15.865 -5.557 16.737 1.00 0.00 N ATOM 0 H ASN A 74 -16.190 -6.728 12.073 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.768 -4.819 13.423 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.172 -6.825 14.200 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.987 -5.539 14.320 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.200 -5.305 17.667 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.940 -5.972 16.623 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.188 -2.755 13.839 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.570 -1.440 13.714 1.00 0.00 C ATOM 1169 C ARG A 75 -14.062 -1.525 13.931 1.00 0.00 C ATOM 1170 O ARG A 75 -13.290 -0.826 13.274 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.187 -0.466 14.720 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.414 0.836 14.860 1.00 0.00 C ATOM 1173 CD ARG A 75 -15.733 1.797 13.725 1.00 0.00 C ATOM 1174 NE ARG A 75 -17.099 2.308 13.809 1.00 0.00 N ATOM 1175 CZ ARG A 75 -17.501 3.428 13.218 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -16.648 4.149 12.505 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -18.761 3.828 13.341 1.00 0.00 N ATOM 0 H ARG A 75 -16.742 -2.882 14.686 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.754 -1.074 12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.209 -0.241 14.415 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.245 -0.951 15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.657 1.304 15.814 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.344 0.626 14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.032 2.631 13.748 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.594 1.290 12.770 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.781 1.776 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.679 3.845 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.960 5.008 12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.420 3.275 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.070 4.688 12.887 1.00 0.00 H new ATOM 1191 N SER A 76 -13.650 -2.384 14.857 1.00 0.00 N ATOM 1192 CA SER A 76 -12.235 -2.557 15.164 1.00 0.00 C ATOM 1193 C SER A 76 -11.624 -3.660 14.305 1.00 0.00 C ATOM 1194 O SER A 76 -10.416 -3.681 14.070 1.00 0.00 O ATOM 1195 CB SER A 76 -12.049 -2.887 16.646 1.00 0.00 C ATOM 1196 OG SER A 76 -12.505 -4.197 16.938 1.00 0.00 O ATOM 0 H SER A 76 -14.276 -2.971 15.408 1.00 0.00 H new ATOM 0 HA SER A 76 -11.723 -1.621 14.941 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.996 -2.797 16.912 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.594 -2.165 17.254 1.00 0.00 H new ATOM 0 HG SER A 76 -12.374 -4.384 17.891 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.468 -4.576 13.840 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.011 -5.683 13.008 1.00 0.00 C ATOM 1204 C GLN A 77 -11.087 -5.186 11.901 1.00 0.00 C ATOM 1205 O GLN A 77 -10.016 -5.748 11.676 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.207 -6.418 12.400 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.724 -7.557 13.262 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.950 -8.845 13.054 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.734 -8.889 13.241 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.654 -9.901 12.664 1.00 0.00 N ATOM 0 H GLN A 77 -13.471 -4.573 14.025 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.452 -6.374 13.639 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.014 -5.705 12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.923 -6.812 11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.666 -7.268 14.312 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.776 -7.730 13.036 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.661 -9.818 12.521 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.188 -10.795 12.507 1.00 0.00 H new ATOM 1219 N MET A 78 -11.510 -4.131 11.213 1.00 0.00 N ATOM 1220 CA MET A 78 -10.719 -3.558 10.130 1.00 0.00 C ATOM 1221 C MET A 78 -9.300 -3.249 10.597 1.00 0.00 C ATOM 1222 O MET A 78 -8.326 -3.630 9.948 1.00 0.00 O ATOM 1223 CB MET A 78 -11.383 -2.286 9.601 1.00 0.00 C ATOM 1224 CG MET A 78 -12.695 -2.542 8.876 1.00 0.00 C ATOM 1225 SD MET A 78 -13.671 -1.042 8.658 1.00 0.00 S ATOM 1226 CE MET A 78 -15.295 -1.621 9.142 1.00 0.00 C ATOM 0 H MET A 78 -12.396 -3.656 11.386 1.00 0.00 H new ATOM 0 HA MET A 78 -10.666 -4.292 9.326 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.564 -1.607 10.434 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.695 -1.782 8.923 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.487 -2.981 7.900 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.279 -3.273 9.436 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.057 -0.994 8.680 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.426 -2.652 8.814 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.391 -1.570 10.227 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.192 -2.556 11.726 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.892 -2.196 12.280 1.00 0.00 C ATOM 1238 C ILE A 79 -6.908 -3.355 12.169 1.00 0.00 C ATOM 1239 O ILE A 79 -5.888 -3.253 11.488 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.007 -1.774 13.756 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -8.969 -0.592 13.898 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.636 -1.418 14.313 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.554 0.624 13.100 1.00 0.00 C ATOM 0 H ILE A 79 -9.989 -2.233 12.275 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.523 -1.352 11.697 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.404 -2.612 14.329 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.964 -0.903 13.579 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.042 -0.318 14.950 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.733 -1.122 15.357 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.978 -2.284 14.241 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.213 -0.593 13.740 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.281 1.422 13.248 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.573 0.961 13.434 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.508 0.367 12.042 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.222 -4.458 12.841 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.365 -5.637 12.817 1.00 0.00 C ATOM 1257 C GLU A 80 -5.709 -5.805 11.449 1.00 0.00 C ATOM 1258 O GLU A 80 -4.485 -5.789 11.331 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.173 -6.890 13.164 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.334 -7.115 14.658 1.00 0.00 C ATOM 1261 CD GLU A 80 -6.010 -7.355 15.358 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -5.481 -8.481 15.255 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.504 -6.416 16.008 1.00 0.00 O ATOM 0 H GLU A 80 -8.063 -4.560 13.409 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.582 -5.500 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.160 -6.814 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.685 -7.760 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.823 -6.248 15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.989 -7.970 14.824 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.534 -5.967 10.420 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.035 -6.139 9.060 1.00 0.00 C ATOM 1272 C ASN A 81 -4.835 -5.232 8.803 1.00 0.00 C ATOM 1273 O ASN A 81 -3.707 -5.705 8.659 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.141 -5.840 8.047 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.211 -6.914 8.025 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.267 -7.769 8.910 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.068 -6.876 7.011 1.00 0.00 N ATOM 0 H ASN A 81 -7.551 -5.983 10.502 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.717 -7.175 8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.599 -4.880 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.704 -5.746 7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.810 -7.573 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.985 -6.150 6.300 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.087 -3.929 8.746 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.027 -2.957 8.508 1.00 0.00 C ATOM 1286 C ILE A 82 -2.877 -3.145 9.490 1.00 0.00 C ATOM 1287 O ILE A 82 -1.708 -3.015 9.126 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.552 -1.513 8.620 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.658 -1.268 7.591 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.415 -0.520 8.431 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.571 -0.116 7.948 1.00 0.00 C ATOM 0 H ILE A 82 -6.015 -3.522 8.861 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.666 -3.127 7.494 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.971 -1.370 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.203 -1.073 6.620 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.254 -2.175 7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.802 0.496 8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.658 -0.683 9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.969 -0.660 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.330 -0.000 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.054 -0.318 8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.987 0.801 8.023 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.216 -3.454 10.737 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.211 -3.664 11.773 1.00 0.00 C ATOM 1305 C ASP A 83 -1.231 -4.760 11.366 1.00 0.00 C ATOM 1306 O ASP A 83 -0.016 -4.577 11.433 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.882 -4.028 13.098 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.079 -3.570 14.299 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.354 -2.560 14.178 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.174 -4.221 15.361 1.00 0.00 O ATOM 0 H ASP A 83 -4.179 -3.565 11.055 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.656 -2.735 11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.874 -3.578 13.135 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.020 -5.108 13.147 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.769 -5.901 10.946 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.943 -7.026 10.527 1.00 0.00 C ATOM 1317 C ALA A 84 0.099 -6.591 9.502 1.00 0.00 C ATOM 1318 O ALA A 84 1.264 -6.980 9.584 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.813 -8.138 9.960 1.00 0.00 C ATOM 0 H ALA A 84 -2.773 -6.070 10.887 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.416 -7.404 11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.182 -8.972 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.514 -8.476 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.367 -7.764 9.099 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.329 -5.785 8.537 1.00 0.00 N ATOM 1326 CA CYS A 85 0.567 -5.299 7.494 1.00 0.00 C ATOM 1327 C CYS A 85 1.702 -4.474 8.093 1.00 0.00 C ATOM 1328 O CYS A 85 2.863 -4.627 7.711 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.208 -4.459 6.477 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.644 -5.299 5.768 1.00 0.00 S ATOM 0 H CYS A 85 -1.290 -5.454 8.455 1.00 0.00 H new ATOM 0 HA CYS A 85 0.998 -6.163 6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.540 -3.539 6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.466 -4.171 5.670 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.507 -5.551 6.707 1.00 0.00 H new ATOM 1336 N LEU A 86 1.359 -3.600 9.031 1.00 0.00 N ATOM 1337 CA LEU A 86 2.348 -2.749 9.683 1.00 0.00 C ATOM 1338 C LEU A 86 3.355 -3.585 10.466 1.00 0.00 C ATOM 1339 O LEU A 86 4.563 -3.471 10.264 1.00 0.00 O ATOM 1340 CB LEU A 86 1.658 -1.754 10.617 1.00 0.00 C ATOM 1341 CG LEU A 86 0.605 -0.850 9.976 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.165 -0.087 11.043 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.256 0.114 8.994 1.00 0.00 C ATOM 0 H LEU A 86 0.403 -3.461 9.358 1.00 0.00 H new ATOM 0 HA LEU A 86 2.884 -2.199 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.185 -2.313 11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.422 -1.123 11.071 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.098 -1.477 9.428 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.910 0.551 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.663 -0.793 11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.525 0.529 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.492 0.750 8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.982 0.734 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.761 -0.451 8.211 1.00 0.00 H new ATOM 1355 N ASN A 87 2.847 -4.429 11.359 1.00 0.00 N ATOM 1356 CA ASN A 87 3.702 -5.287 12.172 1.00 0.00 C ATOM 1357 C ASN A 87 4.487 -6.259 11.296 1.00 0.00 C ATOM 1358 O ASN A 87 5.649 -6.560 11.571 1.00 0.00 O ATOM 1359 CB ASN A 87 2.862 -6.063 13.189 1.00 0.00 C ATOM 1360 CG ASN A 87 2.162 -5.150 14.177 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.773 -4.660 15.127 1.00 0.00 O ATOM 1362 ND2 ASN A 87 0.873 -4.917 13.956 1.00 0.00 N ATOM 0 H ASN A 87 1.849 -4.537 11.538 1.00 0.00 H new ATOM 0 HA ASN A 87 4.410 -4.653 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.119 -6.661 12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.503 -6.757 13.732 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.349 -4.310 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.407 -5.345 13.156 1.00 0.00 H new ATOM 1369 N PHE A 88 3.844 -6.747 10.241 1.00 0.00 N ATOM 1370 CA PHE A 88 4.481 -7.686 9.325 1.00 0.00 C ATOM 1371 C PHE A 88 5.616 -7.013 8.559 1.00 0.00 C ATOM 1372 O PHE A 88 6.639 -7.635 8.269 1.00 0.00 O ATOM 1373 CB PHE A 88 3.452 -8.250 8.342 1.00 0.00 C ATOM 1374 CG PHE A 88 4.068 -8.880 7.126 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.748 -10.083 7.221 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.966 -8.269 5.886 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.316 -10.664 6.103 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.532 -8.845 4.765 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.207 -10.045 4.873 1.00 0.00 C ATOM 0 H PHE A 88 2.882 -6.508 9.999 1.00 0.00 H new ATOM 0 HA PHE A 88 4.898 -8.503 9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.840 -8.992 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.784 -7.448 8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.835 -10.573 8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.438 -7.331 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.845 -11.602 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.447 -8.357 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.649 -10.498 3.998 1.00 0.00 H new ATOM 1389 N LEU A 89 5.428 -5.739 8.233 1.00 0.00 N ATOM 1390 CA LEU A 89 6.435 -4.980 7.500 1.00 0.00 C ATOM 1391 C LEU A 89 7.609 -4.618 8.404 1.00 0.00 C ATOM 1392 O LEU A 89 8.769 -4.739 8.011 1.00 0.00 O ATOM 1393 CB LEU A 89 5.818 -3.709 6.914 1.00 0.00 C ATOM 1394 CG LEU A 89 4.942 -3.898 5.675 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.337 -2.572 5.241 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.749 -4.514 4.541 1.00 0.00 C ATOM 0 H LEU A 89 4.587 -5.210 8.465 1.00 0.00 H new ATOM 0 HA LEU A 89 6.805 -5.605 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.219 -3.230 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.624 -3.020 6.663 1.00 0.00 H new ATOM 0 HG LEU A 89 4.129 -4.579 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.717 -2.727 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.725 -2.170 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.135 -1.868 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.110 -4.641 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.582 -3.858 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.134 -5.485 4.854 1.00 0.00 H new ATOM 1408 N ALA A 90 7.300 -4.175 9.618 1.00 0.00 N ATOM 1409 CA ALA A 90 8.329 -3.799 10.580 1.00 0.00 C ATOM 1410 C ALA A 90 9.372 -4.902 10.727 1.00 0.00 C ATOM 1411 O ALA A 90 10.573 -4.650 10.636 1.00 0.00 O ATOM 1412 CB ALA A 90 7.700 -3.482 11.929 1.00 0.00 C ATOM 0 H ALA A 90 6.345 -4.068 9.959 1.00 0.00 H new ATOM 0 HA ALA A 90 8.832 -2.907 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.480 -3.203 12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.998 -2.656 11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.171 -4.360 12.299 1.00 0.00 H new ATOM 1418 N ALA A 91 8.904 -6.126 10.955 1.00 0.00 N ATOM 1419 CA ALA A 91 9.797 -7.267 11.113 1.00 0.00 C ATOM 1420 C ALA A 91 10.793 -7.348 9.961 1.00 0.00 C ATOM 1421 O ALA A 91 11.916 -7.825 10.130 1.00 0.00 O ATOM 1422 CB ALA A 91 8.994 -8.556 11.210 1.00 0.00 C ATOM 0 H ALA A 91 7.912 -6.352 11.034 1.00 0.00 H new ATOM 0 HA ALA A 91 10.360 -7.132 12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.674 -9.400 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.326 -8.505 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.406 -8.688 10.302 1.00 0.00 H new ATOM 1428 N LYS A 92 10.376 -6.880 8.790 1.00 0.00 N ATOM 1429 CA LYS A 92 11.232 -6.899 7.609 1.00 0.00 C ATOM 1430 C LYS A 92 12.304 -5.817 7.697 1.00 0.00 C ATOM 1431 O LYS A 92 13.367 -5.932 7.090 1.00 0.00 O ATOM 1432 CB LYS A 92 10.394 -6.700 6.344 1.00 0.00 C ATOM 1433 CG LYS A 92 9.273 -7.713 6.192 1.00 0.00 C ATOM 1434 CD LYS A 92 9.793 -9.050 5.692 1.00 0.00 C ATOM 1435 CE LYS A 92 8.656 -9.964 5.261 1.00 0.00 C ATOM 1436 NZ LYS A 92 8.257 -9.724 3.847 1.00 0.00 N ATOM 0 H LYS A 92 9.450 -6.482 8.633 1.00 0.00 H new ATOM 0 HA LYS A 92 11.724 -7.870 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.967 -5.697 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.047 -6.759 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.774 -7.851 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.526 -7.329 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.469 -8.888 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.372 -9.534 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.961 -11.004 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.797 -9.806 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.227 -9.587 3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.738 -8.874 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.527 -10.544 3.266 1.00 0.00 H new ATOM 1450 N GLY A 93 12.017 -4.766 8.459 1.00 0.00 N ATOM 1451 CA GLY A 93 12.967 -3.680 8.614 1.00 0.00 C ATOM 1452 C GLY A 93 12.423 -2.358 8.110 1.00 0.00 C ATOM 1453 O GLY A 93 13.152 -1.566 7.513 1.00 0.00 O ATOM 0 H GLY A 93 11.143 -4.647 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.234 -3.582 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.882 -3.922 8.074 1.00 0.00 H new ATOM 1457 N ILE A 94 11.138 -2.119 8.350 1.00 0.00 N ATOM 1458 CA ILE A 94 10.497 -0.883 7.916 1.00 0.00 C ATOM 1459 C ILE A 94 9.885 -0.137 9.097 1.00 0.00 C ATOM 1460 O ILE A 94 9.310 -0.745 9.998 1.00 0.00 O ATOM 1461 CB ILE A 94 9.399 -1.156 6.871 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.981 -1.908 5.672 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.757 0.149 6.424 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.928 -2.514 4.770 1.00 0.00 C ATOM 0 H ILE A 94 10.520 -2.764 8.842 1.00 0.00 H new ATOM 0 HA ILE A 94 11.274 -0.267 7.463 1.00 0.00 H new ATOM 0 HB ILE A 94 8.630 -1.779 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.598 -1.224 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.637 -2.699 6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.983 -0.060 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.312 0.649 7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.515 0.795 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.412 -3.031 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.326 -3.223 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.286 -1.725 4.379 1.00 0.00 H new ATOM 1526 N GLY A 98 5.704 5.619 13.270 1.00 0.00 N ATOM 1527 CA GLY A 98 5.118 6.861 12.801 1.00 0.00 C ATOM 1528 C GLY A 98 3.695 6.681 12.308 1.00 0.00 C ATOM 1529 O GLY A 98 2.815 7.482 12.625 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.130 7.593 13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.730 7.266 11.995 1.00 0.00 H new ATOM 1533 N LEU A 99 3.469 5.628 11.531 1.00 0.00 N ATOM 1534 CA LEU A 99 2.143 5.346 10.992 1.00 0.00 C ATOM 1535 C LEU A 99 1.155 5.036 12.111 1.00 0.00 C ATOM 1536 O LEU A 99 1.525 4.990 13.284 1.00 0.00 O ATOM 1537 CB LEU A 99 2.208 4.171 10.014 1.00 0.00 C ATOM 1538 CG LEU A 99 3.209 4.307 8.867 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.355 2.987 8.126 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.779 5.411 7.912 1.00 0.00 C ATOM 0 H LEU A 99 4.186 4.955 11.260 1.00 0.00 H new ATOM 0 HA LEU A 99 1.797 6.234 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.451 3.269 10.576 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.216 4.024 9.588 1.00 0.00 H new ATOM 0 HG LEU A 99 4.179 4.574 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.072 3.103 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.709 2.220 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.389 2.690 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.503 5.494 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.798 5.174 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.727 6.358 8.450 1.00 0.00 H new ATOM 1552 N SER A 100 -0.104 4.823 11.741 1.00 0.00 N ATOM 1553 CA SER A 100 -1.146 4.520 12.714 1.00 0.00 C ATOM 1554 C SER A 100 -2.324 3.815 12.047 1.00 0.00 C ATOM 1555 O SER A 100 -3.032 4.404 11.231 1.00 0.00 O ATOM 1556 CB SER A 100 -1.626 5.802 13.396 1.00 0.00 C ATOM 1557 OG SER A 100 -0.760 6.170 14.457 1.00 0.00 O ATOM 0 H SER A 100 -0.427 4.855 10.774 1.00 0.00 H new ATOM 0 HA SER A 100 -0.723 3.853 13.466 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.675 6.610 12.666 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.636 5.657 13.780 1.00 0.00 H new ATOM 0 HG SER A 100 0.146 5.849 14.266 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.525 2.550 12.400 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.617 1.764 11.838 1.00 0.00 C ATOM 1565 C ALA A 101 -4.928 2.541 11.876 1.00 0.00 C ATOM 1566 O ALA A 101 -5.661 2.586 10.888 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.759 0.448 12.588 1.00 0.00 C ATOM 0 H ALA A 101 -1.946 2.047 13.073 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.381 1.552 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.578 -0.129 12.158 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.832 -0.120 12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.969 0.649 13.639 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.217 3.150 13.021 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.442 3.924 13.186 1.00 0.00 C ATOM 1575 C GLU A 102 -6.565 4.987 12.099 1.00 0.00 C ATOM 1576 O GLU A 102 -7.585 5.078 11.417 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.473 4.584 14.566 1.00 0.00 C ATOM 1578 CG GLU A 102 -7.875 4.908 15.055 1.00 0.00 C ATOM 1579 CD GLU A 102 -7.875 5.839 16.252 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.226 5.505 17.265 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -8.524 6.904 16.174 1.00 0.00 O ATOM 0 H GLU A 102 -4.620 3.123 13.848 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.287 3.241 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.990 3.924 15.286 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.887 5.503 14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.442 5.365 14.244 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.386 3.982 15.319 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.516 5.790 11.944 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.507 6.848 10.940 1.00 0.00 C ATOM 1590 C GLU A 103 -5.721 6.275 9.542 1.00 0.00 C ATOM 1591 O GLU A 103 -6.532 6.784 8.768 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.186 7.618 10.991 1.00 0.00 C ATOM 1593 CG GLU A 103 -3.946 8.330 12.311 1.00 0.00 C ATOM 1594 CD GLU A 103 -4.700 9.642 12.412 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -5.939 9.604 12.560 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.051 10.707 12.342 1.00 0.00 O ATOM 0 H GLU A 103 -4.663 5.728 12.500 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.327 7.531 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.365 6.926 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.171 8.351 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.247 7.678 13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.879 8.519 12.429 1.00 0.00 H new ATOM 1603 N ILE A 104 -4.988 5.212 9.227 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.098 4.569 7.924 1.00 0.00 C ATOM 1605 C ILE A 104 -6.527 4.107 7.657 1.00 0.00 C ATOM 1606 O ILE A 104 -7.044 4.263 6.551 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.150 3.360 7.811 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.692 3.820 7.874 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.416 2.597 6.522 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.696 2.698 7.683 1.00 0.00 C ATOM 0 H ILE A 104 -4.312 4.778 9.856 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.815 5.314 7.180 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.336 2.691 8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.525 4.578 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.511 4.296 8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.738 1.746 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.447 2.242 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.254 3.256 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.683 3.097 7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.836 1.951 8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.850 2.237 6.708 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.159 3.539 8.679 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.529 3.055 8.555 1.00 0.00 C ATOM 1624 C ARG A 105 -9.488 4.205 8.260 1.00 0.00 C ATOM 1625 O ARG A 105 -10.526 4.014 7.629 1.00 0.00 O ATOM 1626 CB ARG A 105 -8.956 2.336 9.836 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.210 1.492 9.672 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.803 1.109 11.019 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.252 0.935 10.949 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.097 1.919 10.662 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.641 3.140 10.420 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.402 1.682 10.617 1.00 0.00 N ATOM 0 H ARG A 105 -6.745 3.403 9.601 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.566 2.352 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.140 1.697 10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.126 3.076 10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.949 2.045 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.972 0.590 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.343 0.184 11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.565 1.880 11.752 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.636 0.007 11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.639 3.326 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.292 3.893 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.757 0.744 10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.050 2.438 10.397 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.131 5.399 8.722 1.00 0.00 N ATOM 1647 CA ASN A 106 -9.960 6.580 8.509 1.00 0.00 C ATOM 1648 C ASN A 106 -9.883 7.044 7.058 1.00 0.00 C ATOM 1649 O ASN A 106 -10.824 7.639 6.534 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.523 7.710 9.442 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.048 7.531 10.854 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.256 7.568 11.088 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.140 7.337 11.803 1.00 0.00 N ATOM 0 H ASN A 106 -8.274 5.574 9.246 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.993 6.313 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.434 7.757 9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.875 8.662 9.045 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.434 7.211 12.772 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.149 7.314 11.563 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.753 6.767 6.413 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.574 7.162 5.028 1.00 0.00 C ATOM 1662 C GLY A 107 -7.803 8.461 4.892 1.00 0.00 C ATOM 1663 O GLY A 107 -7.943 9.171 3.898 1.00 0.00 O ATOM 0 H GLY A 107 -7.959 6.276 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.047 6.372 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.550 7.271 4.555 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.989 8.772 5.895 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.195 9.995 5.883 1.00 0.00 C ATOM 1669 C ASN A 108 -5.026 9.876 4.910 1.00 0.00 C ATOM 1670 O ASN A 108 -4.069 9.141 5.159 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.674 10.303 7.288 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.063 11.688 7.388 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -4.406 12.157 6.458 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -5.276 12.348 8.520 1.00 0.00 N ATOM 0 H ASN A 108 -6.862 8.194 6.726 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.837 10.812 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.492 10.218 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.928 9.559 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.889 13.283 8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -5.827 11.920 9.264 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.109 10.603 3.802 1.00 0.00 N ATOM 1682 CA LEU A 109 -4.058 10.580 2.790 1.00 0.00 C ATOM 1683 C LEU A 109 -2.678 10.634 3.438 1.00 0.00 C ATOM 1684 O LEU A 109 -1.807 9.818 3.137 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.227 11.754 1.824 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.772 11.510 0.385 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.855 10.790 -0.403 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.404 12.824 -0.288 1.00 0.00 C ATOM 0 H LEU A 109 -5.893 11.216 3.581 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.142 9.646 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.280 12.037 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.674 12.606 2.219 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.886 10.876 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.513 10.625 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.070 9.830 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.760 11.398 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.082 12.631 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.272 13.483 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.593 13.301 0.263 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.487 11.600 4.330 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.214 11.760 5.024 1.00 0.00 C ATOM 1702 C LYS A 110 -0.768 10.443 5.651 1.00 0.00 C ATOM 1703 O LYS A 110 0.425 10.142 5.703 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.330 12.838 6.104 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.211 14.253 5.566 1.00 0.00 C ATOM 1706 CD LYS A 110 0.211 14.566 5.131 1.00 0.00 C ATOM 1707 CE LYS A 110 1.059 15.044 6.300 1.00 0.00 C ATOM 1708 NZ LYS A 110 1.447 13.923 7.200 1.00 0.00 N ATOM 0 H LYS A 110 -3.198 12.284 4.590 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.466 12.066 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.289 12.731 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.554 12.676 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.887 14.380 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.522 14.962 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.663 13.676 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.195 15.331 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.957 15.533 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.505 15.791 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.402 14.094 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.771 13.860 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.440 13.031 6.666 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.732 9.661 6.126 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.438 8.375 6.746 1.00 0.00 C ATOM 1724 C ALA A 111 -1.088 7.327 5.696 1.00 0.00 C ATOM 1725 O ALA A 111 0.013 6.775 5.699 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.620 7.911 7.585 1.00 0.00 C ATOM 0 H ALA A 111 -2.724 9.896 6.093 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.573 8.502 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.387 6.949 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.822 8.644 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.499 7.807 6.949 1.00 0.00 H new ATOM 1732 N ILE A 112 -2.031 7.056 4.800 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.821 6.073 3.744 1.00 0.00 C ATOM 1734 C ILE A 112 -0.532 6.354 2.980 1.00 0.00 C ATOM 1735 O ILE A 112 0.383 5.529 2.958 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.999 6.053 2.751 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.306 5.745 3.484 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.748 5.030 1.653 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -5.028 6.980 3.976 1.00 0.00 C ATOM 0 H ILE A 112 -2.948 7.503 4.784 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.748 5.100 4.229 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.085 7.038 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.965 5.190 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.093 5.096 4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.589 5.027 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.835 5.289 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.640 4.040 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.946 6.686 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.387 7.525 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.273 7.620 3.128 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.464 7.525 2.355 1.00 0.00 N ATOM 1752 CA LEU A 113 0.715 7.917 1.591 1.00 0.00 C ATOM 1753 C LEU A 113 1.993 7.476 2.296 1.00 0.00 C ATOM 1754 O LEU A 113 2.923 6.976 1.664 1.00 0.00 O ATOM 1755 CB LEU A 113 0.731 9.432 1.383 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.392 10.003 0.516 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.394 11.522 0.578 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.252 9.525 -0.922 1.00 0.00 C ATOM 0 H LEU A 113 -1.211 8.219 2.363 1.00 0.00 H new ATOM 0 HA LEU A 113 0.669 7.423 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.689 9.913 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.685 9.707 0.933 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.344 9.643 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.200 11.911 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.545 11.844 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.561 11.902 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.060 9.941 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.707 9.854 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.302 8.437 -0.950 1.00 0.00 H new ATOM 1770 N GLY A 114 2.031 7.661 3.613 1.00 0.00 N ATOM 1771 CA GLY A 114 3.199 7.275 4.383 1.00 0.00 C ATOM 1772 C GLY A 114 3.517 5.799 4.253 1.00 0.00 C ATOM 1773 O GLY A 114 4.657 5.424 3.975 1.00 0.00 O ATOM 0 H GLY A 114 1.274 8.071 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.058 7.859 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.034 7.517 5.433 1.00 0.00 H new ATOM 1777 N LEU A 115 2.509 4.958 4.455 1.00 0.00 N ATOM 1778 CA LEU A 115 2.687 3.513 4.360 1.00 0.00 C ATOM 1779 C LEU A 115 3.346 3.131 3.039 1.00 0.00 C ATOM 1780 O LEU A 115 4.418 2.528 3.019 1.00 0.00 O ATOM 1781 CB LEU A 115 1.338 2.804 4.495 1.00 0.00 C ATOM 1782 CG LEU A 115 1.244 1.415 3.860 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.259 0.545 4.625 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.839 1.524 2.398 1.00 0.00 C ATOM 0 H LEU A 115 1.560 5.252 4.686 1.00 0.00 H new ATOM 0 HA LEU A 115 3.340 3.197 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.102 2.714 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.571 3.438 4.050 1.00 0.00 H new ATOM 0 HG LEU A 115 2.227 0.946 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.205 -0.439 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.592 0.440 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.727 1.010 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.777 0.527 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.132 2.013 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.582 2.111 1.857 1.00 0.00 H new ATOM 1796 N PHE A 116 2.697 3.488 1.935 1.00 0.00 N ATOM 1797 CA PHE A 116 3.221 3.184 0.608 1.00 0.00 C ATOM 1798 C PHE A 116 4.537 3.916 0.362 1.00 0.00 C ATOM 1799 O PHE A 116 5.386 3.450 -0.398 1.00 0.00 O ATOM 1800 CB PHE A 116 2.201 3.570 -0.466 1.00 0.00 C ATOM 1801 CG PHE A 116 1.253 2.460 -0.818 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.620 1.478 -1.724 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.006 2.398 -0.243 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.750 0.455 -2.050 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.881 1.378 -0.565 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.503 0.406 -1.470 1.00 0.00 C ATOM 0 H PHE A 116 1.808 3.988 1.933 1.00 0.00 H new ATOM 0 HA PHE A 116 3.407 2.111 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.628 4.430 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.732 3.882 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.598 1.512 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.307 3.156 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.049 -0.305 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.859 1.341 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.186 -0.391 -1.724 1.00 0.00 H new ATOM 1816 N PHE A 117 4.699 5.064 1.011 1.00 0.00 N ATOM 1817 CA PHE A 117 5.911 5.862 0.862 1.00 0.00 C ATOM 1818 C PHE A 117 7.131 5.096 1.364 1.00 0.00 C ATOM 1819 O PHE A 117 8.229 5.234 0.825 1.00 0.00 O ATOM 1820 CB PHE A 117 5.774 7.182 1.623 1.00 0.00 C ATOM 1821 CG PHE A 117 7.087 7.869 1.872 1.00 0.00 C ATOM 1822 CD1 PHE A 117 7.953 7.403 2.848 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.454 8.980 1.131 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.162 8.032 3.080 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.662 9.613 1.358 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.516 9.139 2.334 1.00 0.00 C ATOM 0 H PHE A 117 4.007 5.463 1.645 1.00 0.00 H new ATOM 0 HA PHE A 117 6.049 6.075 -0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.124 7.851 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.285 6.992 2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.680 6.538 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.789 9.356 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.828 7.658 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.937 10.478 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.459 9.633 2.514 1.00 0.00 H new ATOM 1836 N SER A 118 6.930 4.288 2.401 1.00 0.00 N ATOM 1837 CA SER A 118 8.014 3.503 2.980 1.00 0.00 C ATOM 1838 C SER A 118 8.043 2.098 2.387 1.00 0.00 C ATOM 1839 O SER A 118 9.095 1.607 1.974 1.00 0.00 O ATOM 1840 CB SER A 118 7.860 3.426 4.500 1.00 0.00 C ATOM 1841 OG SER A 118 7.836 4.720 5.077 1.00 0.00 O ATOM 0 H SER A 118 6.027 4.160 2.857 1.00 0.00 H new ATOM 0 HA SER A 118 8.956 3.998 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.940 2.896 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.684 2.851 4.923 1.00 0.00 H new ATOM 0 HG SER A 118 7.735 4.643 6.049 1.00 0.00 H new ATOM 1847 N LEU A 119 6.881 1.454 2.350 1.00 0.00 N ATOM 1848 CA LEU A 119 6.771 0.104 1.808 1.00 0.00 C ATOM 1849 C LEU A 119 7.597 -0.040 0.534 1.00 0.00 C ATOM 1850 O LEU A 119 8.457 -0.916 0.435 1.00 0.00 O ATOM 1851 CB LEU A 119 5.307 -0.234 1.522 1.00 0.00 C ATOM 1852 CG LEU A 119 5.063 -1.375 0.534 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.639 -2.677 1.069 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.575 -1.525 0.250 1.00 0.00 C ATOM 0 H LEU A 119 6.002 1.845 2.689 1.00 0.00 H new ATOM 0 HA LEU A 119 7.159 -0.592 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.822 -0.487 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.816 0.661 1.141 1.00 0.00 H new ATOM 0 HG LEU A 119 5.569 -1.135 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.456 -3.478 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.713 -2.565 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.162 -2.923 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.420 -2.342 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.047 -1.742 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.191 -0.599 -0.177 1.00 0.00 H new ATOM 1866 N SER A 120 7.332 0.826 -0.438 1.00 0.00 N ATOM 1867 CA SER A 120 8.049 0.794 -1.708 1.00 0.00 C ATOM 1868 C SER A 120 9.551 0.653 -1.479 1.00 0.00 C ATOM 1869 O SER A 120 10.221 -0.130 -2.153 1.00 0.00 O ATOM 1870 CB SER A 120 7.761 2.063 -2.512 1.00 0.00 C ATOM 1871 OG SER A 120 7.973 1.848 -3.897 1.00 0.00 O ATOM 0 H SER A 120 6.626 1.559 -0.371 1.00 0.00 H new ATOM 0 HA SER A 120 7.702 -0.071 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.731 2.379 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.403 2.872 -2.164 1.00 0.00 H new ATOM 0 HG SER A 120 7.346 1.169 -4.222 1.00 0.00 H new ATOM 1877 N ARG A 121 10.072 1.416 -0.525 1.00 0.00 N ATOM 1878 CA ARG A 121 11.495 1.378 -0.208 1.00 0.00 C ATOM 1879 C ARG A 121 11.968 -0.059 -0.006 1.00 0.00 C ATOM 1880 O ARG A 121 12.916 -0.507 -0.652 1.00 0.00 O ATOM 1881 CB ARG A 121 11.781 2.202 1.049 1.00 0.00 C ATOM 1882 CG ARG A 121 11.303 3.641 0.956 1.00 0.00 C ATOM 1883 CD ARG A 121 11.879 4.493 2.077 1.00 0.00 C ATOM 1884 NE ARG A 121 13.208 5.002 1.749 1.00 0.00 N ATOM 1885 CZ ARG A 121 14.334 4.366 2.052 1.00 0.00 C ATOM 1886 NH1 ARG A 121 14.292 3.202 2.685 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.506 4.894 1.721 1.00 0.00 N ATOM 0 H ARG A 121 9.531 2.068 0.042 1.00 0.00 H new ATOM 0 HA ARG A 121 12.041 1.808 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.302 1.724 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.854 2.196 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.593 4.060 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.214 3.667 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.210 5.330 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.933 3.902 2.991 1.00 0.00 H new ATOM 0 HE ARG A 121 13.275 5.895 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.393 2.793 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 121 15.158 2.716 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.543 5.789 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.370 4.405 1.954 1.00 0.00 H new ATOM 1901 N TYR A 122 11.303 -0.775 0.893 1.00 0.00 N ATOM 1902 CA TYR A 122 11.657 -2.159 1.182 1.00 0.00 C ATOM 1903 C TYR A 122 12.030 -2.904 -0.097 1.00 0.00 C ATOM 1904 O TYR A 122 13.018 -3.637 -0.137 1.00 0.00 O ATOM 1905 CB TYR A 122 10.496 -2.870 1.879 1.00 0.00 C ATOM 1906 CG TYR A 122 10.543 -4.376 1.750 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.026 -5.012 0.628 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.102 -5.162 2.750 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.065 -6.388 0.506 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.147 -6.538 2.635 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.627 -7.146 1.512 1.00 0.00 C ATOM 1912 OH TYR A 122 10.669 -8.517 1.394 1.00 0.00 O ATOM 0 H TYR A 122 10.515 -0.420 1.435 1.00 0.00 H new ATOM 0 HA TYR A 122 12.522 -2.155 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.500 -2.604 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.556 -2.507 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.586 -4.421 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.508 -4.689 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.658 -6.867 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.587 -7.134 3.421 1.00 0.00 H new ATOM 0 HH TYR A 122 11.098 -8.901 2.187 1.00 0.00 H new ATOM 1922 N LYS A 123 11.231 -2.711 -1.140 1.00 0.00 N ATOM 1923 CA LYS A 123 11.475 -3.361 -2.422 1.00 0.00 C ATOM 1924 C LYS A 123 12.567 -2.635 -3.202 1.00 0.00 C ATOM 1925 O LYS A 123 13.462 -3.264 -3.764 1.00 0.00 O ATOM 1926 CB LYS A 123 10.187 -3.405 -3.248 1.00 0.00 C ATOM 1927 CG LYS A 123 10.310 -4.224 -4.522 1.00 0.00 C ATOM 1928 CD LYS A 123 10.251 -5.715 -4.235 1.00 0.00 C ATOM 1929 CE LYS A 123 9.839 -6.504 -5.468 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.966 -6.661 -6.428 1.00 0.00 N ATOM 0 H LYS A 123 10.408 -2.109 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 123 11.809 -4.380 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.386 -3.819 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.896 -2.387 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.508 -3.953 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.250 -3.985 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.226 -6.059 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.543 -5.903 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.479 -7.488 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.009 -5.999 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.645 -7.204 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.293 -5.723 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.749 -7.166 -5.965 1.00 0.00 H new ATOM 1944 N GLN A 124 12.486 -1.309 -3.229 1.00 0.00 N ATOM 1945 CA GLN A 124 13.468 -0.498 -3.938 1.00 0.00 C ATOM 1946 C GLN A 124 14.870 -1.076 -3.775 1.00 0.00 C ATOM 1947 O GLN A 124 15.663 -1.079 -4.716 1.00 0.00 O ATOM 1948 CB GLN A 124 13.435 0.944 -3.429 1.00 0.00 C ATOM 1949 CG GLN A 124 12.207 1.719 -3.878 1.00 0.00 C ATOM 1950 CD GLN A 124 12.147 1.898 -5.382 1.00 0.00 C ATOM 1951 OE1 GLN A 124 11.681 1.016 -6.105 1.00 0.00 O ATOM 1952 NE2 GLN A 124 12.618 3.042 -5.862 1.00 0.00 N ATOM 0 H GLN A 124 11.750 -0.773 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 124 13.212 -0.506 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.472 0.937 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.329 1.463 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.310 1.198 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.205 2.698 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.995 3.745 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.603 3.218 -6.867 1.00 0.00 H new