USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl -120:sc= -0.484 (180deg=0) USER MOD Set 1.2: A 86 CYS SG : rot -77:sc= -1.79 USER MOD Set 2.1: A 68 TYR OH : rot -145:sc= -0.888 USER MOD Set 2.2: A 72 GLN : amide:sc= 0.0197 K(o=-0.87,f=-2.2) USER MOD Set 3.1: A 50 ASN : amide:sc= -0.676 K(o=-0.68,f=0) USER MOD Set 3.2: A 69 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= -0.274 USER MOD Set 4.2: A 33 SER OG : rot -32:sc= 0.508 USER MOD Single : A 22 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.77) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.41 K(o=-4.4,f=-3.4!) USER MOD Single : A 35 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00529) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0963) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 123:sc= -0.0297 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -0.165 (180deg=-1.4!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -108:sc= -1.65! (180deg=-4.5!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -0.237 (180deg=-1.02) USER MOD Single : A 91 SER OG : rot -149:sc= 1.42 USER MOD Single : A 94 ASN : amide:sc= -0.997 K(o=-1,f=-9.2!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 99 SER OG : rot -74:sc= -0.131 USER MOD Single : A 102 SER OG : rot 120:sc= 1.04 USER MOD Single : A 107 TYR OH : rot 21:sc= 0.045 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -158:sc= -0.555 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.463 13.402 -0.632 1.00 0.00 N ATOM 215 CA PRO A 18 0.849 12.713 -1.771 1.00 0.00 C ATOM 216 C PRO A 18 -0.387 11.915 -1.369 1.00 0.00 C ATOM 217 O PRO A 18 -0.613 11.657 -0.187 1.00 0.00 O ATOM 218 CB PRO A 18 1.957 11.774 -2.256 1.00 0.00 C ATOM 219 CG PRO A 18 2.807 11.540 -1.055 1.00 0.00 C ATOM 220 CD PRO A 18 2.761 12.815 -0.260 1.00 0.00 C ATOM 0 HA PRO A 18 0.500 13.413 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.545 10.840 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.531 12.224 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.432 10.701 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.830 11.296 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.823 12.623 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.589 13.477 -0.514 1.00 0.00 H new ATOM 228 N ASP A 19 -1.182 11.527 -2.359 1.00 0.00 N ATOM 229 CA ASP A 19 -2.395 10.757 -2.109 1.00 0.00 C ATOM 230 C ASP A 19 -2.057 9.366 -1.582 1.00 0.00 C ATOM 231 O ASP A 19 -1.024 8.794 -1.931 1.00 0.00 O ATOM 232 CB ASP A 19 -3.226 10.643 -3.388 1.00 0.00 C ATOM 233 CG ASP A 19 -4.103 11.858 -3.618 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.424 12.554 -2.632 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.468 12.113 -4.785 1.00 0.00 O ATOM 0 H ASP A 19 -1.009 11.733 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.978 11.281 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.559 10.513 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.851 9.752 -3.333 1.00 0.00 H new ATOM 240 N ILE A 20 -2.933 8.828 -0.740 1.00 0.00 N ATOM 241 CA ILE A 20 -2.726 7.505 -0.165 1.00 0.00 C ATOM 242 C ILE A 20 -2.719 6.431 -1.247 1.00 0.00 C ATOM 243 O ILE A 20 -3.702 6.226 -1.960 1.00 0.00 O ATOM 244 CB ILE A 20 -3.813 7.166 0.872 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.764 8.157 2.037 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.638 5.740 1.375 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.943 8.042 2.978 1.00 0.00 C ATOM 0 H ILE A 20 -3.793 9.288 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.756 7.524 0.331 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.789 7.245 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.844 7.999 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.724 9.171 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.413 5.515 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.717 5.047 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.658 5.636 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.842 8.774 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.866 8.230 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.972 7.039 3.404 1.00 0.00 H new ATOM 259 N PRO A 21 -1.585 5.725 -1.374 1.00 0.00 N ATOM 260 CA PRO A 21 -1.424 4.658 -2.365 1.00 0.00 C ATOM 261 C PRO A 21 -2.266 3.430 -2.038 1.00 0.00 C ATOM 262 O PRO A 21 -2.517 3.131 -0.872 1.00 0.00 O ATOM 263 CB PRO A 21 0.067 4.321 -2.283 1.00 0.00 C ATOM 264 CG PRO A 21 0.471 4.721 -0.907 1.00 0.00 C ATOM 265 CD PRO A 21 -0.374 5.915 -0.558 1.00 0.00 C ATOM 0 HA PRO A 21 -1.751 4.970 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.243 3.259 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.638 4.864 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.308 3.907 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.532 4.969 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.607 5.945 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.131 6.850 -0.800 1.00 0.00 H new ATOM 273 N ASN A 22 -2.700 2.722 -3.076 1.00 0.00 N ATOM 274 CA ASN A 22 -3.515 1.526 -2.898 1.00 0.00 C ATOM 275 C ASN A 22 -2.784 0.491 -2.048 1.00 0.00 C ATOM 276 O ASN A 22 -1.555 0.461 -1.982 1.00 0.00 O ATOM 277 CB ASN A 22 -3.877 0.923 -4.257 1.00 0.00 C ATOM 278 CG ASN A 22 -4.016 1.977 -5.338 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.052 2.302 -6.031 1.00 0.00 O ATOM 280 ND2 ASN A 22 -5.221 2.515 -5.488 1.00 0.00 N ATOM 0 H ASN A 22 -2.501 2.956 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.430 1.814 -2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.110 0.206 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.813 0.371 -4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.376 3.228 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.991 2.215 -4.891 1.00 0.00 H new ATOM 287 N PRO A 23 -3.557 -0.380 -1.381 1.00 0.00 N ATOM 288 CA PRO A 23 -3.004 -1.433 -0.524 1.00 0.00 C ATOM 289 C PRO A 23 -2.299 -2.522 -1.326 1.00 0.00 C ATOM 290 O PRO A 23 -2.649 -2.809 -2.471 1.00 0.00 O ATOM 291 CB PRO A 23 -4.239 -2.002 0.179 1.00 0.00 C ATOM 292 CG PRO A 23 -5.371 -1.705 -0.743 1.00 0.00 C ATOM 293 CD PRO A 23 -5.029 -0.403 -1.413 1.00 0.00 C ATOM 0 HA PRO A 23 -2.247 -1.048 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.138 -3.074 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.389 -1.537 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.495 -2.501 -1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.310 -1.627 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.410 -0.364 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.456 0.447 -0.881 1.00 0.00 H new ATOM 301 N PRO A 24 -1.282 -3.145 -0.712 1.00 0.00 N ATOM 302 CA PRO A 24 -0.507 -4.213 -1.351 1.00 0.00 C ATOM 303 C PRO A 24 -1.317 -5.494 -1.521 1.00 0.00 C ATOM 304 O PRO A 24 -2.085 -5.876 -0.639 1.00 0.00 O ATOM 305 CB PRO A 24 0.653 -4.440 -0.378 1.00 0.00 C ATOM 306 CG PRO A 24 0.133 -3.989 0.943 1.00 0.00 C ATOM 307 CD PRO A 24 -0.810 -2.854 0.652 1.00 0.00 C ATOM 0 HA PRO A 24 -0.190 -3.941 -2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.947 -5.489 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.534 -3.870 -0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.381 -4.801 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.946 -3.664 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.634 -2.823 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.306 -1.889 0.706 1.00 0.00 H new ATOM 315 N ARG A 25 -1.139 -6.153 -2.662 1.00 0.00 N ATOM 316 CA ARG A 25 -1.855 -7.391 -2.948 1.00 0.00 C ATOM 317 C ARG A 25 -0.940 -8.600 -2.772 1.00 0.00 C ATOM 318 O ARG A 25 0.251 -8.455 -2.496 1.00 0.00 O ATOM 319 CB ARG A 25 -2.415 -7.364 -4.371 1.00 0.00 C ATOM 320 CG ARG A 25 -3.861 -6.903 -4.448 1.00 0.00 C ATOM 321 CD ARG A 25 -4.360 -6.870 -5.884 1.00 0.00 C ATOM 322 NE ARG A 25 -5.814 -6.755 -5.956 1.00 0.00 N ATOM 323 CZ ARG A 25 -6.475 -6.484 -7.075 1.00 0.00 C ATOM 324 NH1 ARG A 25 -5.816 -6.301 -8.211 1.00 0.00 N ATOM 325 NH2 ARG A 25 -7.799 -6.396 -7.061 1.00 0.00 N ATOM 0 H ARG A 25 -0.506 -5.851 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.681 -7.476 -2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.799 -6.704 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.337 -8.362 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.489 -7.571 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.951 -5.910 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.904 -6.030 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.042 -7.777 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.351 -6.890 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.798 -6.368 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.327 -6.093 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.310 -6.537 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.305 -6.188 -7.922 1.00 0.00 H new ATOM 339 N ILE A 26 -1.506 -9.791 -2.934 1.00 0.00 N ATOM 340 CA ILE A 26 -0.742 -11.025 -2.793 1.00 0.00 C ATOM 341 C ILE A 26 -0.471 -11.661 -4.153 1.00 0.00 C ATOM 342 O ILE A 26 -1.373 -11.790 -4.980 1.00 0.00 O ATOM 343 CB ILE A 26 -1.475 -12.043 -1.900 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.210 -11.742 -0.423 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.039 -13.459 -2.244 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.186 -12.109 0.027 1.00 0.00 C ATOM 0 H ILE A 26 -2.491 -9.928 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 26 0.205 -10.758 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.546 -11.959 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.374 -10.680 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.934 -12.284 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.566 -14.167 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.274 -13.668 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.035 -13.557 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.303 -11.868 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.347 -13.177 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.916 -11.547 -0.556 1.00 0.00 H new ATOM 358 N ALA A 27 0.778 -12.057 -4.376 1.00 0.00 N ATOM 359 CA ALA A 27 1.168 -12.684 -5.633 1.00 0.00 C ATOM 360 C ALA A 27 1.726 -14.083 -5.399 1.00 0.00 C ATOM 361 O ALA A 27 1.830 -14.883 -6.328 1.00 0.00 O ATOM 362 CB ALA A 27 2.189 -11.820 -6.358 1.00 0.00 C ATOM 0 H ALA A 27 1.537 -11.955 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 27 0.279 -12.777 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.472 -12.300 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.755 -10.842 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.073 -11.698 -5.732 1.00 0.00 H new ATOM 368 N ASN A 28 2.084 -14.372 -4.152 1.00 0.00 N ATOM 369 CA ASN A 28 2.634 -15.675 -3.796 1.00 0.00 C ATOM 370 C ASN A 28 2.846 -15.783 -2.290 1.00 0.00 C ATOM 371 O ASN A 28 3.679 -15.080 -1.718 1.00 0.00 O ATOM 372 CB ASN A 28 3.957 -15.911 -4.528 1.00 0.00 C ATOM 373 CG ASN A 28 4.341 -17.377 -4.570 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.577 -18.217 -5.046 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.531 -17.692 -4.071 1.00 0.00 N ATOM 0 H ASN A 28 2.003 -13.721 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 28 1.918 -16.439 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.879 -15.529 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.748 -15.345 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.844 -18.663 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.132 -16.963 -3.686 1.00 0.00 H new ATOM 382 N ARG A 29 2.087 -16.669 -1.653 1.00 0.00 N ATOM 383 CA ARG A 29 2.192 -16.869 -0.212 1.00 0.00 C ATOM 384 C ARG A 29 2.404 -18.344 0.118 1.00 0.00 C ATOM 385 O ARG A 29 1.619 -19.202 -0.288 1.00 0.00 O ATOM 386 CB ARG A 29 0.933 -16.355 0.488 1.00 0.00 C ATOM 387 CG ARG A 29 -0.357 -16.920 -0.084 1.00 0.00 C ATOM 388 CD ARG A 29 -1.466 -16.941 0.956 1.00 0.00 C ATOM 389 NE ARG A 29 -2.447 -17.990 0.688 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.384 -17.898 -0.249 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.467 -16.811 -1.004 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.241 -18.894 -0.432 1.00 0.00 N ATOM 0 H ARG A 29 1.393 -17.259 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 29 3.054 -16.307 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.990 -16.604 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.906 -15.268 0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.670 -16.321 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.181 -17.931 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.033 -17.093 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.966 -15.973 0.973 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.410 -18.840 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.810 -16.043 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.188 -16.743 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.181 -19.731 0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.960 -18.822 -1.152 1.00 0.00 H new ATOM 406 N THR A 30 3.471 -18.632 0.856 1.00 0.00 N ATOM 407 CA THR A 30 3.788 -20.002 1.239 1.00 0.00 C ATOM 408 C THR A 30 3.528 -20.232 2.723 1.00 0.00 C ATOM 409 O THR A 30 3.088 -19.329 3.435 1.00 0.00 O ATOM 410 CB THR A 30 5.257 -20.347 0.928 1.00 0.00 C ATOM 411 OG1 THR A 30 6.084 -20.028 2.053 1.00 0.00 O ATOM 412 CG2 THR A 30 5.743 -19.587 -0.297 1.00 0.00 C ATOM 0 H THR A 30 4.131 -17.934 1.201 1.00 0.00 H new ATOM 0 HA THR A 30 3.138 -20.652 0.654 1.00 0.00 H new ATOM 0 HB THR A 30 5.321 -21.416 0.722 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.016 -20.252 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.783 -19.846 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.130 -19.854 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.665 -18.515 -0.115 1.00 0.00 H new ATOM 420 N LYS A 31 3.802 -21.447 3.186 1.00 0.00 N ATOM 421 CA LYS A 31 3.599 -21.797 4.587 1.00 0.00 C ATOM 422 C LYS A 31 4.568 -21.034 5.484 1.00 0.00 C ATOM 423 O LYS A 31 4.292 -20.808 6.661 1.00 0.00 O ATOM 424 CB LYS A 31 3.778 -23.303 4.789 1.00 0.00 C ATOM 425 CG LYS A 31 3.029 -24.147 3.772 1.00 0.00 C ATOM 426 CD LYS A 31 1.602 -24.421 4.218 1.00 0.00 C ATOM 427 CE LYS A 31 1.546 -25.532 5.255 1.00 0.00 C ATOM 428 NZ LYS A 31 0.172 -26.089 5.396 1.00 0.00 N ATOM 0 H LYS A 31 4.166 -22.207 2.611 1.00 0.00 H new ATOM 0 HA LYS A 31 2.582 -21.519 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.840 -23.544 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.439 -23.570 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.019 -23.635 2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.553 -25.091 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.169 -23.511 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.996 -24.697 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.234 -26.329 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.883 -25.148 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.175 -26.843 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.480 -25.334 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.140 -26.479 4.484 1.00 0.00 H new ATOM 442 N ASN A 32 5.705 -20.639 4.919 1.00 0.00 N ATOM 443 CA ASN A 32 6.715 -19.900 5.668 1.00 0.00 C ATOM 444 C ASN A 32 7.220 -18.705 4.866 1.00 0.00 C ATOM 445 O ASN A 32 8.397 -18.351 4.935 1.00 0.00 O ATOM 446 CB ASN A 32 7.885 -20.818 6.028 1.00 0.00 C ATOM 447 CG ASN A 32 7.549 -21.764 7.165 1.00 0.00 C ATOM 448 OD1 ASN A 32 8.150 -21.702 8.238 1.00 0.00 O ATOM 449 ND2 ASN A 32 6.583 -22.646 6.935 1.00 0.00 N ATOM 0 H ASN A 32 5.950 -20.818 3.945 1.00 0.00 H new ATOM 0 HA ASN A 32 6.255 -19.531 6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.173 -21.397 5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.747 -20.212 6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.313 -23.308 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.112 -22.662 6.031 1.00 0.00 H new ATOM 456 N SER A 33 6.322 -18.086 4.107 1.00 0.00 N ATOM 457 CA SER A 33 6.676 -16.932 3.289 1.00 0.00 C ATOM 458 C SER A 33 5.426 -16.199 2.812 1.00 0.00 C ATOM 459 O SER A 33 4.346 -16.783 2.724 1.00 0.00 O ATOM 460 CB SER A 33 7.515 -17.370 2.087 1.00 0.00 C ATOM 461 OG SER A 33 8.615 -18.164 2.495 1.00 0.00 O ATOM 0 H SER A 33 5.343 -18.365 4.041 1.00 0.00 H new ATOM 0 HA SER A 33 7.263 -16.249 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.893 -17.934 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.875 -16.492 1.552 1.00 0.00 H new ATOM 0 HG SER A 33 8.915 -17.876 3.382 1.00 0.00 H new ATOM 467 N LEU A 34 5.581 -14.916 2.505 1.00 0.00 N ATOM 468 CA LEU A 34 4.466 -14.101 2.036 1.00 0.00 C ATOM 469 C LEU A 34 4.946 -13.029 1.063 1.00 0.00 C ATOM 470 O LEU A 34 5.707 -12.135 1.432 1.00 0.00 O ATOM 471 CB LEU A 34 3.752 -13.448 3.221 1.00 0.00 C ATOM 472 CG LEU A 34 2.597 -14.243 3.831 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.181 -13.642 5.165 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.417 -14.288 2.872 1.00 0.00 C ATOM 0 H LEU A 34 6.468 -14.417 2.572 1.00 0.00 H new ATOM 0 HA LEU A 34 3.767 -14.753 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.488 -13.257 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.370 -12.479 2.900 1.00 0.00 H new ATOM 0 HG LEU A 34 2.936 -15.264 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.358 -14.221 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.026 -13.663 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.860 -12.611 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.604 -14.858 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.078 -13.273 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.723 -14.766 1.941 1.00 0.00 H new ATOM 486 N THR A 35 4.494 -13.124 -0.184 1.00 0.00 N ATOM 487 CA THR A 35 4.875 -12.163 -1.210 1.00 0.00 C ATOM 488 C THR A 35 3.769 -11.140 -1.445 1.00 0.00 C ATOM 489 O THR A 35 2.628 -11.501 -1.736 1.00 0.00 O ATOM 490 CB THR A 35 5.202 -12.863 -2.543 1.00 0.00 C ATOM 491 OG1 THR A 35 5.954 -14.057 -2.297 1.00 0.00 O ATOM 492 CG2 THR A 35 5.990 -11.941 -3.460 1.00 0.00 C ATOM 0 H THR A 35 3.863 -13.858 -0.507 1.00 0.00 H new ATOM 0 HA THR A 35 5.767 -11.653 -0.847 1.00 0.00 H new ATOM 0 HB THR A 35 4.263 -13.120 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.344 -14.782 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.209 -12.458 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.403 -11.047 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.924 -11.657 -2.975 1.00 0.00 H new ATOM 500 N LEU A 36 4.114 -9.863 -1.318 1.00 0.00 N ATOM 501 CA LEU A 36 3.149 -8.787 -1.517 1.00 0.00 C ATOM 502 C LEU A 36 3.617 -7.832 -2.610 1.00 0.00 C ATOM 503 O LEU A 36 4.783 -7.441 -2.648 1.00 0.00 O ATOM 504 CB LEU A 36 2.935 -8.020 -0.211 1.00 0.00 C ATOM 505 CG LEU A 36 2.431 -8.842 0.976 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.898 -8.229 2.287 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.914 -8.949 0.945 1.00 0.00 C ATOM 0 H LEU A 36 5.054 -9.548 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 36 2.204 -9.232 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.878 -7.553 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.224 -7.215 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 36 2.847 -9.847 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.530 -8.828 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.988 -8.206 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.512 -7.213 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.573 -9.537 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.478 -7.951 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.602 -9.435 0.021 1.00 0.00 H new ATOM 519 N GLN A 37 2.699 -7.460 -3.496 1.00 0.00 N ATOM 520 CA GLN A 37 3.018 -6.549 -4.589 1.00 0.00 C ATOM 521 C GLN A 37 2.032 -5.386 -4.634 1.00 0.00 C ATOM 522 O GLN A 37 0.818 -5.587 -4.596 1.00 0.00 O ATOM 523 CB GLN A 37 3.004 -7.296 -5.924 1.00 0.00 C ATOM 524 CG GLN A 37 4.089 -8.354 -6.039 1.00 0.00 C ATOM 525 CD GLN A 37 4.213 -8.911 -7.444 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.614 -8.392 -8.386 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.995 -9.975 -7.592 1.00 0.00 N ATOM 0 H GLN A 37 1.729 -7.775 -3.479 1.00 0.00 H new ATOM 0 HA GLN A 37 4.017 -6.149 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.031 -7.769 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.122 -6.577 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.044 -7.924 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.873 -9.168 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.473 -10.373 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.117 -10.394 -8.514 1.00 0.00 H new ATOM 536 N TRP A 38 2.562 -4.171 -4.713 1.00 0.00 N ATOM 537 CA TRP A 38 1.728 -2.975 -4.763 1.00 0.00 C ATOM 538 C TRP A 38 2.106 -2.096 -5.950 1.00 0.00 C ATOM 539 O TRP A 38 3.091 -2.359 -6.641 1.00 0.00 O ATOM 540 CB TRP A 38 1.861 -2.182 -3.462 1.00 0.00 C ATOM 541 CG TRP A 38 3.270 -1.770 -3.158 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.889 -0.617 -3.548 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.235 -2.510 -2.403 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.181 -0.596 -3.081 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.417 -1.745 -2.374 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.215 -3.744 -1.746 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.566 -2.176 -1.716 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.356 -4.169 -1.093 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.518 -3.387 -1.081 1.00 0.00 C ATOM 0 H TRP A 38 3.565 -3.988 -4.744 1.00 0.00 H new ATOM 0 HA TRP A 38 0.692 -3.290 -4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.235 -1.292 -3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.480 -2.784 -2.637 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.430 0.164 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.855 0.154 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.324 -4.354 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.464 -1.575 -1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.352 -5.121 -0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.393 -3.747 -0.560 1.00 0.00 H new ATOM 560 N LYS A 39 1.319 -1.051 -6.181 1.00 0.00 N ATOM 561 CA LYS A 39 1.572 -0.132 -7.284 1.00 0.00 C ATOM 562 C LYS A 39 1.883 1.268 -6.765 1.00 0.00 C ATOM 563 O LYS A 39 1.703 1.556 -5.582 1.00 0.00 O ATOM 564 CB LYS A 39 0.363 -0.083 -8.222 1.00 0.00 C ATOM 565 CG LYS A 39 0.114 -1.386 -8.962 1.00 0.00 C ATOM 566 CD LYS A 39 -0.790 -1.180 -10.165 1.00 0.00 C ATOM 567 CE LYS A 39 -2.259 -1.237 -9.775 1.00 0.00 C ATOM 568 NZ LYS A 39 -3.149 -1.272 -10.968 1.00 0.00 N ATOM 0 H LYS A 39 0.500 -0.819 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 39 2.438 -0.496 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.525 0.172 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.510 0.716 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.065 -1.808 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.340 -2.109 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.572 -0.216 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.581 -1.944 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.438 -2.121 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.506 -0.370 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.142 -1.310 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.997 -0.417 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.931 -2.113 -11.539 1.00 0.00 H new ATOM 582 N ALA A 40 2.348 2.136 -7.658 1.00 0.00 N ATOM 583 CA ALA A 40 2.680 3.506 -7.290 1.00 0.00 C ATOM 584 C ALA A 40 1.475 4.426 -7.455 1.00 0.00 C ATOM 585 O ALA A 40 0.748 4.365 -8.447 1.00 0.00 O ATOM 586 CB ALA A 40 3.848 4.009 -8.125 1.00 0.00 C ATOM 0 H ALA A 40 2.503 1.914 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 40 2.969 3.513 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.085 5.034 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.718 3.374 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.580 3.980 -9.181 1.00 0.00 H new ATOM 592 N PRO A 41 1.256 5.299 -6.461 1.00 0.00 N ATOM 593 CA PRO A 41 0.139 6.249 -6.473 1.00 0.00 C ATOM 594 C PRO A 41 0.317 7.340 -7.523 1.00 0.00 C ATOM 595 O PRO A 41 1.144 7.216 -8.426 1.00 0.00 O ATOM 596 CB PRO A 41 0.170 6.851 -5.066 1.00 0.00 C ATOM 597 CG PRO A 41 1.583 6.700 -4.620 1.00 0.00 C ATOM 598 CD PRO A 41 2.082 5.427 -5.248 1.00 0.00 C ATOM 0 HA PRO A 41 -0.805 5.765 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.132 7.898 -5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.514 6.329 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.185 7.552 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.646 6.650 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.143 5.487 -5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.954 4.573 -4.582 1.00 0.00 H new ATOM 606 N SER A 42 -0.464 8.408 -7.398 1.00 0.00 N ATOM 607 CA SER A 42 -0.395 9.520 -8.340 1.00 0.00 C ATOM 608 C SER A 42 0.557 10.600 -7.835 1.00 0.00 C ATOM 609 O SER A 42 0.304 11.238 -6.814 1.00 0.00 O ATOM 610 CB SER A 42 -1.787 10.114 -8.562 1.00 0.00 C ATOM 611 OG SER A 42 -2.631 9.198 -9.239 1.00 0.00 O ATOM 0 H SER A 42 -1.152 8.527 -6.654 1.00 0.00 H new ATOM 0 HA SER A 42 -0.015 9.139 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.230 10.380 -7.602 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.705 11.034 -9.141 1.00 0.00 H new ATOM 0 HG SER A 42 -3.515 9.601 -9.367 1.00 0.00 H new ATOM 617 N ASP A 43 1.653 10.798 -8.560 1.00 0.00 N ATOM 618 CA ASP A 43 2.644 11.801 -8.188 1.00 0.00 C ATOM 619 C ASP A 43 2.089 13.210 -8.377 1.00 0.00 C ATOM 620 O ASP A 43 2.477 13.920 -9.304 1.00 0.00 O ATOM 621 CB ASP A 43 3.916 11.625 -9.018 1.00 0.00 C ATOM 622 CG ASP A 43 3.721 12.024 -10.468 1.00 0.00 C ATOM 623 OD1 ASP A 43 2.582 11.910 -10.967 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.707 12.452 -11.103 1.00 0.00 O ATOM 0 H ASP A 43 1.877 10.277 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 43 2.886 11.663 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.716 12.225 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.236 10.584 -8.970 1.00 0.00 H new ATOM 661 N LYS A 47 8.021 13.725 -6.593 1.00 0.00 N ATOM 662 CA LYS A 47 8.540 12.368 -6.704 1.00 0.00 C ATOM 663 C LYS A 47 8.599 11.694 -5.337 1.00 0.00 C ATOM 664 O LYS A 47 9.133 12.256 -4.380 1.00 0.00 O ATOM 665 CB LYS A 47 9.933 12.383 -7.337 1.00 0.00 C ATOM 666 CG LYS A 47 10.575 11.009 -7.429 1.00 0.00 C ATOM 667 CD LYS A 47 11.530 10.917 -8.607 1.00 0.00 C ATOM 668 CE LYS A 47 11.706 9.479 -9.070 1.00 0.00 C ATOM 669 NZ LYS A 47 12.349 8.635 -8.025 1.00 0.00 N ATOM 0 HA LYS A 47 7.864 11.798 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.864 12.810 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.580 13.039 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.113 10.796 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.799 10.250 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.152 11.522 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.498 11.331 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.734 9.059 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.312 9.461 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.498 7.675 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.265 9.049 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.734 8.590 -7.188 1.00 0.00 H new ATOM 683 N ILE A 48 8.048 10.487 -5.253 1.00 0.00 N ATOM 684 CA ILE A 48 8.041 9.737 -4.003 1.00 0.00 C ATOM 685 C ILE A 48 9.397 9.090 -3.743 1.00 0.00 C ATOM 686 O ILE A 48 9.792 8.153 -4.437 1.00 0.00 O ATOM 687 CB ILE A 48 6.956 8.644 -4.010 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.563 9.277 -3.996 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.134 7.715 -2.818 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.503 8.418 -4.648 1.00 0.00 C ATOM 0 H ILE A 48 7.601 10.008 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 48 7.823 10.450 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 48 7.058 8.057 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.274 9.476 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.605 10.239 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.360 6.948 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.115 7.242 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.055 8.289 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.541 8.929 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.769 8.240 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.433 7.465 -4.123 1.00 0.00 H new ATOM 702 N GLN A 49 10.104 9.595 -2.737 1.00 0.00 N ATOM 703 CA GLN A 49 11.416 9.066 -2.384 1.00 0.00 C ATOM 704 C GLN A 49 11.420 7.541 -2.436 1.00 0.00 C ATOM 705 O GLN A 49 12.079 6.941 -3.283 1.00 0.00 O ATOM 706 CB GLN A 49 11.823 9.541 -0.989 1.00 0.00 C ATOM 707 CG GLN A 49 12.029 11.044 -0.894 1.00 0.00 C ATOM 708 CD GLN A 49 12.805 11.450 0.343 1.00 0.00 C ATOM 709 OE1 GLN A 49 13.996 11.752 0.272 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.132 11.460 1.488 1.00 0.00 N ATOM 0 H GLN A 49 9.790 10.370 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 49 12.137 9.439 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.056 9.242 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.745 9.037 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.559 11.391 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.058 11.540 -0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.145 11.202 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.602 11.725 2.354 1.00 0.00 H new ATOM 719 N ASN A 50 10.678 6.921 -1.524 1.00 0.00 N ATOM 720 CA ASN A 50 10.596 5.467 -1.465 1.00 0.00 C ATOM 721 C ASN A 50 9.308 5.021 -0.780 1.00 0.00 C ATOM 722 O ASN A 50 8.622 5.821 -0.144 1.00 0.00 O ATOM 723 CB ASN A 50 11.806 4.897 -0.722 1.00 0.00 C ATOM 724 CG ASN A 50 12.320 5.836 0.352 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.511 6.143 0.405 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.422 6.298 1.213 1.00 0.00 N ATOM 0 H ASN A 50 10.125 7.404 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 50 10.593 5.087 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.534 3.944 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.604 4.694 -1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.709 6.935 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.445 6.017 1.131 1.00 0.00 H new ATOM 733 N PHE A 51 8.986 3.739 -0.913 1.00 0.00 N ATOM 734 CA PHE A 51 7.781 3.186 -0.307 1.00 0.00 C ATOM 735 C PHE A 51 8.074 2.640 1.087 1.00 0.00 C ATOM 736 O PHE A 51 9.044 1.910 1.289 1.00 0.00 O ATOM 737 CB PHE A 51 7.202 2.078 -1.190 1.00 0.00 C ATOM 738 CG PHE A 51 6.544 2.589 -2.440 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.352 3.292 -2.372 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.118 2.368 -3.681 1.00 0.00 C ATOM 741 CE1 PHE A 51 4.744 3.763 -3.521 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.515 2.837 -4.833 1.00 0.00 C ATOM 743 CZ PHE A 51 5.326 3.536 -4.752 1.00 0.00 C ATOM 0 H PHE A 51 9.543 3.063 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 51 7.049 3.989 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.001 1.389 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.474 1.508 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.893 3.474 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.048 1.823 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.814 4.308 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.972 2.657 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.853 3.904 -5.650 1.00 0.00 H new ATOM 753 N VAL A 52 7.228 3.000 2.047 1.00 0.00 N ATOM 754 CA VAL A 52 7.395 2.546 3.423 1.00 0.00 C ATOM 755 C VAL A 52 6.325 1.528 3.799 1.00 0.00 C ATOM 756 O VAL A 52 5.136 1.848 3.846 1.00 0.00 O ATOM 757 CB VAL A 52 7.338 3.725 4.413 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.606 3.244 5.831 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.329 4.806 4.011 1.00 0.00 C ATOM 0 H VAL A 52 6.420 3.605 1.897 1.00 0.00 H new ATOM 0 HA VAL A 52 8.377 2.076 3.485 1.00 0.00 H new ATOM 0 HB VAL A 52 6.336 4.154 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.562 4.090 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.853 2.508 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.595 2.789 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.275 5.631 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.338 4.393 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.085 5.170 3.013 1.00 0.00 H new ATOM 769 N LEU A 53 6.754 0.300 4.068 1.00 0.00 N ATOM 770 CA LEU A 53 5.832 -0.768 4.442 1.00 0.00 C ATOM 771 C LEU A 53 5.959 -1.103 5.925 1.00 0.00 C ATOM 772 O LEU A 53 7.001 -0.868 6.536 1.00 0.00 O ATOM 773 CB LEU A 53 6.099 -2.017 3.601 1.00 0.00 C ATOM 774 CG LEU A 53 5.214 -3.228 3.897 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.801 -2.994 3.387 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.806 -4.486 3.277 1.00 0.00 C ATOM 0 H LEU A 53 7.734 0.019 4.034 1.00 0.00 H new ATOM 0 HA LEU A 53 4.816 -0.420 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.981 -1.755 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.140 -2.310 3.742 1.00 0.00 H new ATOM 0 HG LEU A 53 5.170 -3.366 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.186 -3.867 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.377 -2.118 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.826 -2.829 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.163 -5.338 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.881 -4.359 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.798 -4.664 3.691 1.00 0.00 H new ATOM 788 N GLU A 54 4.892 -1.654 6.495 1.00 0.00 N ATOM 789 CA GLU A 54 4.886 -2.022 7.906 1.00 0.00 C ATOM 790 C GLU A 54 3.962 -3.210 8.154 1.00 0.00 C ATOM 791 O GLU A 54 3.024 -3.449 7.394 1.00 0.00 O ATOM 792 CB GLU A 54 4.448 -0.833 8.764 1.00 0.00 C ATOM 793 CG GLU A 54 5.411 0.341 8.714 1.00 0.00 C ATOM 794 CD GLU A 54 5.082 1.319 7.603 1.00 0.00 C ATOM 795 OE1 GLU A 54 4.192 1.008 6.784 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.715 2.394 7.551 1.00 0.00 O ATOM 0 H GLU A 54 4.022 -1.855 6.002 1.00 0.00 H new ATOM 0 HA GLU A 54 5.900 -2.308 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.464 -0.500 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.342 -1.161 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.391 0.863 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.426 -0.032 8.576 1.00 0.00 H new ATOM 803 N TRP A 55 4.234 -3.951 9.223 1.00 0.00 N ATOM 804 CA TRP A 55 3.427 -5.115 9.571 1.00 0.00 C ATOM 805 C TRP A 55 3.540 -5.429 11.059 1.00 0.00 C ATOM 806 O TRP A 55 4.476 -4.989 11.727 1.00 0.00 O ATOM 807 CB TRP A 55 3.862 -6.328 8.747 1.00 0.00 C ATOM 808 CG TRP A 55 5.131 -6.956 9.239 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.244 -6.308 9.694 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.417 -8.357 9.323 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.204 -7.222 10.056 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.721 -8.485 9.839 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.697 -9.514 9.015 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.318 -9.725 10.051 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.291 -10.744 9.226 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.591 -10.842 9.741 1.00 0.00 C ATOM 0 H TRP A 55 5.006 -3.766 9.863 1.00 0.00 H new ATOM 0 HA TRP A 55 2.386 -4.886 9.344 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.067 -7.073 8.763 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.994 -6.024 7.709 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.353 -5.236 9.760 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.127 -6.996 10.426 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.694 -9.448 8.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.320 -9.802 10.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.744 -11.645 8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.027 -11.818 9.896 1.00 0.00 H new ATOM 827 N ASP A 56 2.581 -6.192 11.572 1.00 0.00 N ATOM 828 CA ASP A 56 2.573 -6.566 12.981 1.00 0.00 C ATOM 829 C ASP A 56 3.213 -7.936 13.183 1.00 0.00 C ATOM 830 O ASP A 56 2.799 -8.702 14.053 1.00 0.00 O ATOM 831 CB ASP A 56 1.142 -6.573 13.522 1.00 0.00 C ATOM 832 CG ASP A 56 0.222 -7.464 12.711 1.00 0.00 C ATOM 833 OD1 ASP A 56 -0.113 -7.089 11.568 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.163 -8.538 13.220 1.00 0.00 O ATOM 0 H ASP A 56 1.799 -6.564 11.033 1.00 0.00 H new ATOM 0 HA ASP A 56 3.157 -5.827 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.150 -6.911 14.558 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.751 -5.555 13.521 1.00 0.00 H new ATOM 839 N GLU A 57 4.223 -8.237 12.373 1.00 0.00 N ATOM 840 CA GLU A 57 4.918 -9.516 12.463 1.00 0.00 C ATOM 841 C GLU A 57 3.937 -10.649 12.752 1.00 0.00 C ATOM 842 O GLU A 57 4.264 -11.602 13.458 1.00 0.00 O ATOM 843 CB GLU A 57 5.990 -9.464 13.553 1.00 0.00 C ATOM 844 CG GLU A 57 7.108 -8.477 13.260 1.00 0.00 C ATOM 845 CD GLU A 57 8.293 -8.644 14.192 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.493 -9.766 14.702 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.020 -7.652 14.409 1.00 0.00 O ATOM 0 H GLU A 57 4.578 -7.614 11.648 1.00 0.00 H new ATOM 0 HA GLU A 57 5.396 -9.709 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.521 -9.198 14.500 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.418 -10.459 13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.440 -8.605 12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.723 -7.461 13.347 1.00 0.00 H new ATOM 854 N GLY A 58 2.732 -10.537 12.202 1.00 0.00 N ATOM 855 CA GLY A 58 1.722 -11.557 12.413 1.00 0.00 C ATOM 856 C GLY A 58 1.632 -11.992 13.862 1.00 0.00 C ATOM 857 O GLY A 58 1.547 -13.185 14.156 1.00 0.00 O ATOM 0 H GLY A 58 2.437 -9.758 11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.753 -11.177 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.948 -12.423 11.790 1.00 0.00 H new ATOM 861 N LYS A 59 1.651 -11.024 14.771 1.00 0.00 N ATOM 862 CA LYS A 59 1.571 -11.312 16.198 1.00 0.00 C ATOM 863 C LYS A 59 0.126 -11.257 16.684 1.00 0.00 C ATOM 864 O LYS A 59 -0.386 -12.222 17.249 1.00 0.00 O ATOM 865 CB LYS A 59 2.425 -10.318 16.989 1.00 0.00 C ATOM 866 CG LYS A 59 3.881 -10.289 16.558 1.00 0.00 C ATOM 867 CD LYS A 59 4.797 -9.917 17.712 1.00 0.00 C ATOM 868 CE LYS A 59 6.200 -10.470 17.511 1.00 0.00 C ATOM 869 NZ LYS A 59 6.253 -11.941 17.736 1.00 0.00 N ATOM 0 H LYS A 59 1.721 -10.032 14.545 1.00 0.00 H new ATOM 0 HA LYS A 59 1.953 -12.320 16.362 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.002 -9.320 16.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.373 -10.570 18.048 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.165 -11.266 16.167 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.007 -9.572 15.747 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.843 -8.832 17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.384 -10.301 18.645 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.538 -10.245 16.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.888 -9.973 18.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.245 -12.246 17.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.754 -12.176 18.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.798 -12.431 16.940 1.00 0.00 H new ATOM 883 N GLY A 60 -0.526 -10.120 16.460 1.00 0.00 N ATOM 884 CA GLY A 60 -1.906 -9.961 16.880 1.00 0.00 C ATOM 885 C GLY A 60 -2.051 -8.998 18.042 1.00 0.00 C ATOM 886 O GLY A 60 -2.837 -9.234 18.958 1.00 0.00 O ATOM 0 H GLY A 60 -0.123 -9.306 15.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.500 -9.603 16.039 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.310 -10.932 17.165 1.00 0.00 H new ATOM 890 N ASN A 61 -1.289 -7.909 18.005 1.00 0.00 N ATOM 891 CA ASN A 61 -1.335 -6.908 19.064 1.00 0.00 C ATOM 892 C ASN A 61 -1.835 -5.570 18.527 1.00 0.00 C ATOM 893 O ASN A 61 -2.660 -4.907 19.154 1.00 0.00 O ATOM 894 CB ASN A 61 0.050 -6.733 19.689 1.00 0.00 C ATOM 895 CG ASN A 61 0.723 -8.060 19.984 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.094 -8.988 20.492 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.009 -8.154 19.666 1.00 0.00 N ATOM 0 H ASN A 61 -0.633 -7.698 17.253 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.030 -7.256 19.828 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.679 -6.152 19.015 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.041 -6.161 20.613 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.516 -9.022 19.841 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.490 -7.358 19.246 1.00 0.00 H new ATOM 904 N GLY A 62 -1.330 -5.181 17.360 1.00 0.00 N ATOM 905 CA GLY A 62 -1.737 -3.925 16.758 1.00 0.00 C ATOM 906 C GLY A 62 -0.592 -2.940 16.640 1.00 0.00 C ATOM 907 O GLY A 62 -0.805 -1.728 16.638 1.00 0.00 O ATOM 0 H GLY A 62 -0.647 -5.713 16.821 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.150 -4.117 15.768 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.534 -3.481 17.355 1.00 0.00 H new ATOM 911 N GLU A 63 0.627 -3.461 16.543 1.00 0.00 N ATOM 912 CA GLU A 63 1.811 -2.617 16.427 1.00 0.00 C ATOM 913 C GLU A 63 2.445 -2.756 15.046 1.00 0.00 C ATOM 914 O GLU A 63 2.795 -3.857 14.619 1.00 0.00 O ATOM 915 CB GLU A 63 2.832 -2.981 17.508 1.00 0.00 C ATOM 916 CG GLU A 63 2.459 -2.476 18.891 1.00 0.00 C ATOM 917 CD GLU A 63 2.810 -1.015 19.094 1.00 0.00 C ATOM 918 OE1 GLU A 63 3.976 -0.644 18.843 1.00 0.00 O ATOM 919 OE2 GLU A 63 1.918 -0.243 19.503 1.00 0.00 O ATOM 0 H GLU A 63 0.821 -4.462 16.542 1.00 0.00 H new ATOM 0 HA GLU A 63 1.502 -1.581 16.563 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.941 -4.065 17.543 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.804 -2.572 17.231 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.389 -2.614 19.047 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.971 -3.076 19.643 1.00 0.00 H new ATOM 926 N PHE A 64 2.590 -1.632 14.352 1.00 0.00 N ATOM 927 CA PHE A 64 3.180 -1.627 13.018 1.00 0.00 C ATOM 928 C PHE A 64 4.560 -0.978 13.037 1.00 0.00 C ATOM 929 O PHE A 64 4.736 0.115 13.576 1.00 0.00 O ATOM 930 CB PHE A 64 2.268 -0.887 12.037 1.00 0.00 C ATOM 931 CG PHE A 64 1.023 -1.649 11.684 1.00 0.00 C ATOM 932 CD1 PHE A 64 0.030 -1.855 12.629 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.845 -2.159 10.409 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.117 -2.556 12.307 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.300 -2.861 10.081 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.283 -3.059 11.031 1.00 0.00 C ATOM 0 H PHE A 64 2.307 -0.713 14.691 1.00 0.00 H new ATOM 0 HA PHE A 64 3.289 -2.661 12.691 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.986 0.073 12.469 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.825 -0.675 11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.154 -1.463 13.628 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.610 -2.007 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.883 -2.710 13.053 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.426 -3.254 9.083 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.179 -3.606 10.777 1.00 0.00 H new ATOM 946 N CYS A 65 5.535 -1.659 12.445 1.00 0.00 N ATOM 947 CA CYS A 65 6.901 -1.149 12.394 1.00 0.00 C ATOM 948 C CYS A 65 7.468 -1.252 10.982 1.00 0.00 C ATOM 949 O CYS A 65 6.963 -2.011 10.155 1.00 0.00 O ATOM 950 CB CYS A 65 7.791 -1.919 13.371 1.00 0.00 C ATOM 951 SG CYS A 65 7.423 -1.603 15.112 1.00 0.00 S ATOM 0 H CYS A 65 5.405 -2.565 11.994 1.00 0.00 H new ATOM 0 HA CYS A 65 6.881 -0.098 12.682 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.686 -2.986 13.177 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.832 -1.660 13.178 1.00 0.00 H new ATOM 0 HG CYS A 65 8.226 -2.301 15.859 1.00 0.00 H new ATOM 957 N GLN A 66 8.517 -0.482 10.713 1.00 0.00 N ATOM 958 CA GLN A 66 9.150 -0.485 9.399 1.00 0.00 C ATOM 959 C GLN A 66 9.653 -1.880 9.041 1.00 0.00 C ATOM 960 O GLN A 66 10.570 -2.402 9.676 1.00 0.00 O ATOM 961 CB GLN A 66 10.309 0.512 9.366 1.00 0.00 C ATOM 962 CG GLN A 66 10.617 1.041 7.974 1.00 0.00 C ATOM 963 CD GLN A 66 11.349 2.369 8.003 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.729 3.431 8.069 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.674 2.315 7.954 1.00 0.00 N ATOM 0 H GLN A 66 8.947 0.152 11.387 1.00 0.00 H new ATOM 0 HA GLN A 66 8.403 -0.188 8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.074 1.351 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.201 0.033 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.221 0.309 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.686 1.156 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.146 1.412 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.220 3.176 7.971 1.00 0.00 H new ATOM 974 N CYS A 67 9.047 -2.477 8.021 1.00 0.00 N ATOM 975 CA CYS A 67 9.433 -3.813 7.578 1.00 0.00 C ATOM 976 C CYS A 67 10.207 -3.748 6.265 1.00 0.00 C ATOM 977 O CYS A 67 11.193 -4.461 6.078 1.00 0.00 O ATOM 978 CB CYS A 67 8.195 -4.695 7.412 1.00 0.00 C ATOM 979 SG CYS A 67 8.514 -6.462 7.624 1.00 0.00 S ATOM 0 H CYS A 67 8.287 -2.058 7.485 1.00 0.00 H new ATOM 0 HA CYS A 67 10.081 -4.249 8.339 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.441 -4.384 8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.774 -4.529 6.420 1.00 0.00 H new ATOM 0 HG CYS A 67 7.756 -6.929 8.571 1.00 0.00 H new ATOM 985 N TYR A 68 9.752 -2.890 5.359 1.00 0.00 N ATOM 986 CA TYR A 68 10.398 -2.736 4.061 1.00 0.00 C ATOM 987 C TYR A 68 10.339 -1.285 3.593 1.00 0.00 C ATOM 988 O TYR A 68 9.263 -0.697 3.492 1.00 0.00 O ATOM 989 CB TYR A 68 9.735 -3.645 3.025 1.00 0.00 C ATOM 990 CG TYR A 68 10.459 -3.681 1.699 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.247 -2.696 0.742 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.357 -4.699 1.402 1.00 0.00 C ATOM 993 CE1 TYR A 68 10.906 -2.725 -0.472 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.021 -4.736 0.191 1.00 0.00 C ATOM 995 CZ TYR A 68 11.792 -3.747 -0.742 1.00 0.00 C ATOM 996 OH TYR A 68 12.451 -3.779 -1.950 1.00 0.00 O ATOM 0 H TYR A 68 8.939 -2.291 5.499 1.00 0.00 H new ATOM 0 HA TYR A 68 11.444 -3.023 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.678 -4.657 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.711 -3.309 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.555 -1.894 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.539 -5.475 2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.728 -1.952 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 68 12.715 -5.535 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 68 12.570 -4.710 -2.233 1.00 0.00 H new ATOM 1006 N MET A 69 11.505 -0.714 3.307 1.00 0.00 N ATOM 1007 CA MET A 69 11.587 0.667 2.847 1.00 0.00 C ATOM 1008 C MET A 69 12.528 0.788 1.653 1.00 0.00 C ATOM 1009 O MET A 69 13.737 0.601 1.781 1.00 0.00 O ATOM 1010 CB MET A 69 12.064 1.577 3.981 1.00 0.00 C ATOM 1011 CG MET A 69 12.485 2.961 3.513 1.00 0.00 C ATOM 1012 SD MET A 69 12.996 4.028 4.873 1.00 0.00 S ATOM 1013 CE MET A 69 12.804 5.645 4.126 1.00 0.00 C ATOM 0 H MET A 69 12.406 -1.187 3.386 1.00 0.00 H new ATOM 0 HA MET A 69 10.590 0.979 2.534 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.265 1.678 4.715 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.904 1.102 4.488 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.306 2.866 2.803 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.656 3.428 2.981 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.133 6.411 4.828 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.406 5.701 3.219 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.756 5.808 3.876 1.00 0.00 H new ATOM 1023 N GLY A 70 11.964 1.101 0.490 1.00 0.00 N ATOM 1024 CA GLY A 70 12.768 1.240 -0.711 1.00 0.00 C ATOM 1025 C GLY A 70 11.931 1.555 -1.935 1.00 0.00 C ATOM 1026 O GLY A 70 10.706 1.449 -1.902 1.00 0.00 O ATOM 0 H GLY A 70 10.965 1.261 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.503 2.032 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.323 0.318 -0.882 1.00 0.00 H new ATOM 1030 N SER A 71 12.595 1.944 -3.019 1.00 0.00 N ATOM 1031 CA SER A 71 11.904 2.281 -4.258 1.00 0.00 C ATOM 1032 C SER A 71 11.056 1.110 -4.743 1.00 0.00 C ATOM 1033 O SER A 71 9.896 1.283 -5.117 1.00 0.00 O ATOM 1034 CB SER A 71 12.913 2.677 -5.338 1.00 0.00 C ATOM 1035 OG SER A 71 12.289 3.416 -6.373 1.00 0.00 O ATOM 0 H SER A 71 13.610 2.034 -3.064 1.00 0.00 H new ATOM 0 HA SER A 71 11.245 3.126 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.712 3.271 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.375 1.782 -5.754 1.00 0.00 H new ATOM 0 HG SER A 71 12.955 3.658 -7.049 1.00 0.00 H new ATOM 1041 N GLN A 72 11.644 -0.082 -4.734 1.00 0.00 N ATOM 1042 CA GLN A 72 10.943 -1.283 -5.173 1.00 0.00 C ATOM 1043 C GLN A 72 9.503 -1.286 -4.673 1.00 0.00 C ATOM 1044 O GLN A 72 9.172 -0.615 -3.695 1.00 0.00 O ATOM 1045 CB GLN A 72 11.671 -2.534 -4.678 1.00 0.00 C ATOM 1046 CG GLN A 72 12.895 -2.893 -5.504 1.00 0.00 C ATOM 1047 CD GLN A 72 13.936 -3.652 -4.705 1.00 0.00 C ATOM 1048 OE1 GLN A 72 13.664 -4.729 -4.173 1.00 0.00 O ATOM 1049 NE2 GLN A 72 15.138 -3.094 -4.615 1.00 0.00 N ATOM 0 H GLN A 72 12.604 -0.242 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 72 10.929 -1.287 -6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.974 -2.382 -3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.978 -3.375 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.588 -3.496 -6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.341 -1.981 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.321 -2.200 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.878 -3.559 -4.090 1.00 0.00 H new ATOM 1058 N LYS A 73 8.648 -2.046 -5.350 1.00 0.00 N ATOM 1059 CA LYS A 73 7.242 -2.138 -4.974 1.00 0.00 C ATOM 1060 C LYS A 73 6.850 -3.584 -4.684 1.00 0.00 C ATOM 1061 O LYS A 73 5.670 -3.931 -4.703 1.00 0.00 O ATOM 1062 CB LYS A 73 6.358 -1.572 -6.087 1.00 0.00 C ATOM 1063 CG LYS A 73 6.608 -0.102 -6.375 1.00 0.00 C ATOM 1064 CD LYS A 73 5.733 0.401 -7.511 1.00 0.00 C ATOM 1065 CE LYS A 73 6.407 0.208 -8.861 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.225 -1.176 -9.378 1.00 0.00 N ATOM 0 H LYS A 73 8.905 -2.607 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 73 7.094 -1.551 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.525 -2.146 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.312 -1.707 -5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.412 0.484 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.657 0.046 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.780 -0.128 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.512 1.458 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.997 0.920 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.471 0.425 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.183 -1.156 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.025 -1.768 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.340 -1.573 -9.003 1.00 0.00 H new ATOM 1080 N GLN A 74 7.848 -4.420 -4.416 1.00 0.00 N ATOM 1081 CA GLN A 74 7.605 -5.827 -4.122 1.00 0.00 C ATOM 1082 C GLN A 74 8.563 -6.331 -3.047 1.00 0.00 C ATOM 1083 O GLN A 74 9.772 -6.113 -3.126 1.00 0.00 O ATOM 1084 CB GLN A 74 7.756 -6.669 -5.390 1.00 0.00 C ATOM 1085 CG GLN A 74 7.801 -8.165 -5.126 1.00 0.00 C ATOM 1086 CD GLN A 74 8.126 -8.968 -6.370 1.00 0.00 C ATOM 1087 OE1 GLN A 74 7.836 -8.544 -7.489 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.731 -10.135 -6.181 1.00 0.00 N ATOM 0 H GLN A 74 8.831 -4.148 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 74 6.585 -5.923 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.925 -6.452 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.669 -6.372 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.547 -8.372 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.839 -8.489 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.953 -10.447 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.974 -10.719 -6.981 1.00 0.00 H new ATOM 1097 N PHE A 75 8.014 -7.006 -2.042 1.00 0.00 N ATOM 1098 CA PHE A 75 8.819 -7.540 -0.949 1.00 0.00 C ATOM 1099 C PHE A 75 8.264 -8.877 -0.468 1.00 0.00 C ATOM 1100 O PHE A 75 7.084 -8.989 -0.134 1.00 0.00 O ATOM 1101 CB PHE A 75 8.864 -6.545 0.213 1.00 0.00 C ATOM 1102 CG PHE A 75 9.465 -7.114 1.466 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.665 -7.806 1.422 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.831 -6.957 2.688 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.220 -8.331 2.574 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.381 -7.480 3.843 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.578 -8.167 3.786 1.00 0.00 C ATOM 0 H PHE A 75 7.015 -7.196 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 75 9.831 -7.700 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.438 -5.670 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.851 -6.203 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.172 -7.936 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.896 -6.419 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.155 -8.869 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.876 -7.352 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.011 -8.575 4.687 1.00 0.00 H new ATOM 1117 N LYS A 76 9.123 -9.890 -0.435 1.00 0.00 N ATOM 1118 CA LYS A 76 8.722 -11.221 0.005 1.00 0.00 C ATOM 1119 C LYS A 76 9.210 -11.494 1.424 1.00 0.00 C ATOM 1120 O LYS A 76 10.407 -11.661 1.657 1.00 0.00 O ATOM 1121 CB LYS A 76 9.271 -12.284 -0.948 1.00 0.00 C ATOM 1122 CG LYS A 76 9.252 -13.688 -0.370 1.00 0.00 C ATOM 1123 CD LYS A 76 9.507 -14.736 -1.440 1.00 0.00 C ATOM 1124 CE LYS A 76 10.043 -16.027 -0.841 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.723 -16.872 -1.861 1.00 0.00 N ATOM 0 H LYS A 76 10.103 -9.814 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 76 7.633 -11.265 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.687 -12.271 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.295 -12.025 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.009 -13.771 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.287 -13.875 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.581 -14.940 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.220 -14.348 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.743 -15.792 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.222 -16.588 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.074 -17.742 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.049 -17.118 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.522 -16.347 -2.270 1.00 0.00 H new ATOM 1139 N ILE A 77 8.275 -11.540 2.368 1.00 0.00 N ATOM 1140 CA ILE A 77 8.611 -11.796 3.763 1.00 0.00 C ATOM 1141 C ILE A 77 8.704 -13.293 4.040 1.00 0.00 C ATOM 1142 O ILE A 77 7.695 -13.998 4.049 1.00 0.00 O ATOM 1143 CB ILE A 77 7.574 -11.172 4.716 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.591 -9.647 4.595 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.848 -11.599 6.150 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.261 -9.001 4.913 1.00 0.00 C ATOM 0 H ILE A 77 7.280 -11.403 2.192 1.00 0.00 H new ATOM 0 HA ILE A 77 9.582 -11.334 3.944 1.00 0.00 H new ATOM 0 HB ILE A 77 6.583 -11.529 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.350 -9.246 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.885 -9.374 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.107 -11.150 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.790 -12.685 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.844 -11.269 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.347 -7.920 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.502 -9.374 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.974 -9.243 5.936 1.00 0.00 H new ATOM 1158 N THR A 78 9.923 -13.772 4.269 1.00 0.00 N ATOM 1159 CA THR A 78 10.148 -15.185 4.548 1.00 0.00 C ATOM 1160 C THR A 78 10.258 -15.439 6.047 1.00 0.00 C ATOM 1161 O THR A 78 10.082 -14.528 6.856 1.00 0.00 O ATOM 1162 CB THR A 78 11.427 -15.696 3.857 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.545 -14.884 4.231 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.267 -15.683 2.344 1.00 0.00 C ATOM 0 H THR A 78 10.769 -13.202 4.267 1.00 0.00 H new ATOM 0 HA THR A 78 9.288 -15.726 4.153 1.00 0.00 H new ATOM 0 HB THR A 78 11.601 -16.723 4.179 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.354 -15.217 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.182 -16.048 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.434 -16.327 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.070 -14.665 2.008 1.00 0.00 H new ATOM 1172 N LYS A 79 10.551 -16.682 6.412 1.00 0.00 N ATOM 1173 CA LYS A 79 10.687 -17.057 7.814 1.00 0.00 C ATOM 1174 C LYS A 79 9.370 -16.863 8.559 1.00 0.00 C ATOM 1175 O LYS A 79 9.344 -16.316 9.662 1.00 0.00 O ATOM 1176 CB LYS A 79 11.788 -16.229 8.480 1.00 0.00 C ATOM 1177 CG LYS A 79 13.174 -16.498 7.920 1.00 0.00 C ATOM 1178 CD LYS A 79 13.893 -17.582 8.705 1.00 0.00 C ATOM 1179 CE LYS A 79 13.568 -18.968 8.168 1.00 0.00 C ATOM 1180 NZ LYS A 79 12.396 -19.571 8.862 1.00 0.00 N ATOM 0 H LYS A 79 10.699 -17.448 5.755 1.00 0.00 H new ATOM 0 HA LYS A 79 10.957 -18.112 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.557 -15.170 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.791 -16.437 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.093 -16.797 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.761 -15.580 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.969 -17.415 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.608 -17.522 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.364 -18.905 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.435 -19.617 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.719 -20.339 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.916 -18.843 9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.734 -19.953 8.157 1.00 0.00 H new ATOM 1194 N LEU A 80 8.279 -17.315 7.950 1.00 0.00 N ATOM 1195 CA LEU A 80 6.958 -17.193 8.557 1.00 0.00 C ATOM 1196 C LEU A 80 6.380 -18.566 8.885 1.00 0.00 C ATOM 1197 O LEU A 80 7.044 -19.587 8.712 1.00 0.00 O ATOM 1198 CB LEU A 80 6.012 -16.440 7.619 1.00 0.00 C ATOM 1199 CG LEU A 80 6.396 -14.995 7.298 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.388 -14.375 6.342 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.498 -14.173 8.574 1.00 0.00 C ATOM 0 H LEU A 80 8.283 -17.769 7.037 1.00 0.00 H new ATOM 0 HA LEU A 80 7.063 -16.632 9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.944 -16.994 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.016 -16.440 8.062 1.00 0.00 H new ATOM 0 HG LEU A 80 7.372 -14.998 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.677 -13.347 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.365 -14.949 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.399 -14.385 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.772 -13.148 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.536 -14.177 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.259 -14.604 9.225 1.00 0.00 H new ATOM 1213 N SER A 81 5.138 -18.581 9.359 1.00 0.00 N ATOM 1214 CA SER A 81 4.471 -19.829 9.713 1.00 0.00 C ATOM 1215 C SER A 81 3.079 -19.895 9.093 1.00 0.00 C ATOM 1216 O SER A 81 2.418 -18.879 8.876 1.00 0.00 O ATOM 1217 CB SER A 81 4.372 -19.965 11.233 1.00 0.00 C ATOM 1218 OG SER A 81 5.647 -19.854 11.840 1.00 0.00 O ATOM 0 H SER A 81 4.574 -17.744 9.507 1.00 0.00 H new ATOM 0 HA SER A 81 5.064 -20.654 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.710 -19.194 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.928 -20.927 11.487 1.00 0.00 H new ATOM 0 HG SER A 81 5.556 -19.943 12.812 1.00 0.00 H new ATOM 1224 N PRO A 82 2.620 -21.121 8.799 1.00 0.00 N ATOM 1225 CA PRO A 82 1.302 -21.351 8.200 1.00 0.00 C ATOM 1226 C PRO A 82 0.165 -21.051 9.170 1.00 0.00 C ATOM 1227 O PRO A 82 0.341 -21.114 10.387 1.00 0.00 O ATOM 1228 CB PRO A 82 1.327 -22.841 7.849 1.00 0.00 C ATOM 1229 CG PRO A 82 2.312 -23.436 8.795 1.00 0.00 C ATOM 1230 CD PRO A 82 3.354 -22.377 9.030 1.00 0.00 C ATOM 0 HA PRO A 82 1.124 -20.701 7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.342 -23.292 7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.628 -22.999 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.831 -23.724 9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.759 -24.337 8.376 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.757 -22.427 10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.196 -22.482 8.346 1.00 0.00 H new ATOM 1238 N ALA A 83 -1.002 -20.726 8.624 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.169 -20.419 9.441 1.00 0.00 C ATOM 1240 C ALA A 83 -1.895 -19.241 10.370 1.00 0.00 C ATOM 1241 O ALA A 83 -2.210 -19.288 11.558 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.586 -21.641 10.246 1.00 0.00 C ATOM 0 H ALA A 83 -1.164 -20.669 7.619 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.985 -20.140 8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.459 -21.397 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.832 -22.457 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.766 -21.945 10.897 1.00 0.00 H new ATOM 1248 N MET A 84 -1.306 -18.184 9.819 1.00 0.00 N ATOM 1249 CA MET A 84 -0.989 -16.993 10.599 1.00 0.00 C ATOM 1250 C MET A 84 -1.542 -15.741 9.926 1.00 0.00 C ATOM 1251 O MET A 84 -1.361 -15.538 8.726 1.00 0.00 O ATOM 1252 CB MET A 84 0.524 -16.864 10.781 1.00 0.00 C ATOM 1253 CG MET A 84 0.951 -15.541 11.396 1.00 0.00 C ATOM 1254 SD MET A 84 0.938 -14.185 10.206 1.00 0.00 S ATOM 1255 CE MET A 84 2.626 -14.241 9.610 1.00 0.00 C ATOM 0 H MET A 84 -1.039 -18.128 8.836 1.00 0.00 H new ATOM 0 HA MET A 84 -1.457 -17.094 11.578 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.877 -17.680 11.412 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.009 -16.978 9.812 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.286 -15.298 12.225 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.953 -15.645 11.812 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.117 -13.291 9.819 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.163 -15.045 10.113 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.627 -14.421 8.535 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.216 -14.903 10.708 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.785 -13.681 10.170 1.00 0.00 C ATOM 1267 C GLY A 85 -1.923 -12.466 10.454 1.00 0.00 C ATOM 1268 O GLY A 85 -1.688 -12.121 11.613 1.00 0.00 O ATOM 0 H GLY A 85 -2.378 -15.049 11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.914 -13.787 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.776 -13.527 10.596 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.451 -11.817 9.396 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.608 -10.635 9.537 1.00 0.00 C ATOM 1274 C CYS A 86 -1.169 -9.468 8.731 1.00 0.00 C ATOM 1275 O CYS A 86 -1.637 -9.644 7.606 1.00 0.00 O ATOM 1276 CB CYS A 86 0.820 -10.944 9.085 1.00 0.00 C ATOM 1277 SG CYS A 86 0.922 -12.126 7.720 1.00 0.00 S ATOM 0 H CYS A 86 -1.638 -12.089 8.431 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.594 -10.352 10.590 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.304 -10.015 8.784 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.382 -11.335 9.933 1.00 0.00 H new ATOM 0 HG CYS A 86 0.732 -13.330 8.173 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.120 -8.275 9.315 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.623 -7.078 8.652 1.00 0.00 C ATOM 1285 C LYS A 87 -0.489 -6.310 7.981 1.00 0.00 C ATOM 1286 O LYS A 87 0.663 -6.385 8.409 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.337 -6.174 9.660 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.466 -6.867 10.404 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.447 -5.864 10.988 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.570 -5.549 10.011 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.130 -4.187 10.231 1.00 0.00 N ATOM 0 H LYS A 87 -0.737 -8.112 10.246 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.332 -7.389 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.610 -5.804 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.737 -5.305 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.992 -7.539 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.053 -7.481 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.868 -6.261 11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.920 -4.946 11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.196 -5.627 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.363 -6.289 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.702 -3.910 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.727 -4.191 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.352 -3.508 10.357 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.822 -5.572 6.927 1.00 0.00 N ATOM 1306 CA PHE A 88 0.168 -4.790 6.197 1.00 0.00 C ATOM 1307 C PHE A 88 -0.420 -3.460 5.737 1.00 0.00 C ATOM 1308 O PHE A 88 -1.637 -3.316 5.614 1.00 0.00 O ATOM 1309 CB PHE A 88 0.683 -5.578 4.991 1.00 0.00 C ATOM 1310 CG PHE A 88 1.179 -6.952 5.339 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.311 -8.031 5.362 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.514 -7.164 5.645 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.764 -9.297 5.682 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.973 -8.428 5.965 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.097 -9.495 5.985 1.00 0.00 C ATOM 0 H PHE A 88 -1.771 -5.499 6.559 1.00 0.00 H new ATOM 0 HA PHE A 88 1.000 -4.585 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.117 -5.665 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.490 -5.018 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.732 -7.881 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.203 -6.333 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.077 -10.130 5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.016 -8.581 6.199 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.453 -10.483 6.237 1.00 0.00 H new ATOM 1325 N ARG A 89 0.452 -2.489 5.484 1.00 0.00 N ATOM 1326 CA ARG A 89 0.020 -1.170 5.039 1.00 0.00 C ATOM 1327 C ARG A 89 1.103 -0.496 4.202 1.00 0.00 C ATOM 1328 O ARG A 89 2.285 -0.539 4.545 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.330 -0.292 6.242 1.00 0.00 C ATOM 1330 CG ARG A 89 0.879 0.124 7.064 1.00 0.00 C ATOM 1331 CD ARG A 89 0.493 1.086 8.176 1.00 0.00 C ATOM 1332 NE ARG A 89 1.660 1.591 8.894 1.00 0.00 N ATOM 1333 CZ ARG A 89 1.642 2.682 9.652 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.522 3.378 9.791 1.00 0.00 N ATOM 1335 NH2 ARG A 89 2.745 3.077 10.274 1.00 0.00 N ATOM 0 H ARG A 89 1.462 -2.592 5.580 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.868 -1.296 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.845 0.602 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.027 -0.831 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.350 -0.760 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.617 0.594 6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.063 1.923 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.173 0.582 8.876 1.00 0.00 H new ATOM 0 HE ARG A 89 2.537 1.078 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.328 3.076 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.511 4.215 10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.608 2.543 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.730 3.915 10.856 1.00 0.00 H new ATOM 1349 N LEU A 90 0.692 0.124 3.101 1.00 0.00 N ATOM 1350 CA LEU A 90 1.627 0.807 2.214 1.00 0.00 C ATOM 1351 C LEU A 90 1.422 2.317 2.264 1.00 0.00 C ATOM 1352 O LEU A 90 0.301 2.796 2.437 1.00 0.00 O ATOM 1353 CB LEU A 90 1.457 0.305 0.778 1.00 0.00 C ATOM 1354 CG LEU A 90 2.432 0.876 -0.252 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.774 0.166 -0.167 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.854 0.760 -1.655 1.00 0.00 C ATOM 0 H LEU A 90 -0.282 0.168 2.801 1.00 0.00 H new ATOM 0 HA LEU A 90 2.639 0.585 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.556 -0.781 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.442 0.532 0.453 1.00 0.00 H new ATOM 0 HG LEU A 90 2.587 1.932 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.455 0.586 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.194 0.300 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.636 -0.897 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.561 1.171 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.669 -0.289 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.917 1.314 -1.710 1.00 0.00 H new ATOM 1368 N SER A 91 2.512 3.063 2.111 1.00 0.00 N ATOM 1369 CA SER A 91 2.452 4.519 2.141 1.00 0.00 C ATOM 1370 C SER A 91 3.598 5.127 1.337 1.00 0.00 C ATOM 1371 O SER A 91 4.708 4.597 1.321 1.00 0.00 O ATOM 1372 CB SER A 91 2.504 5.023 3.584 1.00 0.00 C ATOM 1373 OG SER A 91 3.683 4.583 4.236 1.00 0.00 O ATOM 0 H SER A 91 3.447 2.682 1.965 1.00 0.00 H new ATOM 0 HA SER A 91 1.510 4.828 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.464 6.112 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.629 4.667 4.128 1.00 0.00 H new ATOM 0 HG SER A 91 3.502 4.459 5.191 1.00 0.00 H new ATOM 1379 N ALA A 92 3.318 6.242 0.670 1.00 0.00 N ATOM 1380 CA ALA A 92 4.324 6.923 -0.135 1.00 0.00 C ATOM 1381 C ALA A 92 4.824 8.184 0.562 1.00 0.00 C ATOM 1382 O ALA A 92 4.031 9.027 0.982 1.00 0.00 O ATOM 1383 CB ALA A 92 3.760 7.264 -1.507 1.00 0.00 C ATOM 0 H ALA A 92 2.403 6.693 0.671 1.00 0.00 H new ATOM 0 HA ALA A 92 5.171 6.249 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.522 7.772 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.459 6.348 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.894 7.917 -1.393 1.00 0.00 H new ATOM 1389 N ARG A 93 6.142 8.305 0.682 1.00 0.00 N ATOM 1390 CA ARG A 93 6.746 9.462 1.331 1.00 0.00 C ATOM 1391 C ARG A 93 7.670 10.204 0.369 1.00 0.00 C ATOM 1392 O ARG A 93 8.539 9.602 -0.261 1.00 0.00 O ATOM 1393 CB ARG A 93 7.528 9.028 2.572 1.00 0.00 C ATOM 1394 CG ARG A 93 8.350 10.143 3.195 1.00 0.00 C ATOM 1395 CD ARG A 93 9.317 9.606 4.239 1.00 0.00 C ATOM 1396 NE ARG A 93 9.638 10.606 5.254 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.405 10.361 6.310 1.00 0.00 C ATOM 1398 NH1 ARG A 93 10.928 9.156 6.489 1.00 0.00 N ATOM 1399 NH2 ARG A 93 10.651 11.323 7.190 1.00 0.00 N ATOM 0 H ARG A 93 6.811 7.616 0.338 1.00 0.00 H new ATOM 0 HA ARG A 93 5.945 10.137 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.829 8.644 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.191 8.206 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.906 10.665 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.685 10.873 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.882 8.729 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.234 9.279 3.749 1.00 0.00 H new ATOM 0 HE ARG A 93 9.252 11.544 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.742 8.414 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.517 8.971 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.251 12.252 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.240 11.134 8.001 1.00 0.00 H new ATOM 1413 N ASN A 94 7.474 11.514 0.260 1.00 0.00 N ATOM 1414 CA ASN A 94 8.289 12.337 -0.626 1.00 0.00 C ATOM 1415 C ASN A 94 9.026 13.418 0.160 1.00 0.00 C ATOM 1416 O ASN A 94 8.921 13.489 1.385 1.00 0.00 O ATOM 1417 CB ASN A 94 7.415 12.982 -1.704 1.00 0.00 C ATOM 1418 CG ASN A 94 6.236 13.736 -1.118 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.039 13.754 0.097 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.446 14.362 -1.983 1.00 0.00 N ATOM 0 H ASN A 94 6.758 12.028 0.774 1.00 0.00 H new ATOM 0 HA ASN A 94 9.027 11.692 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.021 13.666 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.049 12.210 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.637 14.885 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.648 14.319 -2.982 1.00 0.00 H new ATOM 1427 N ASP A 95 9.770 14.256 -0.552 1.00 0.00 N ATOM 1428 CA ASP A 95 10.524 15.334 0.078 1.00 0.00 C ATOM 1429 C ASP A 95 9.701 16.002 1.175 1.00 0.00 C ATOM 1430 O ASP A 95 10.251 16.540 2.137 1.00 0.00 O ATOM 1431 CB ASP A 95 10.942 16.370 -0.966 1.00 0.00 C ATOM 1432 CG ASP A 95 12.112 17.217 -0.505 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.928 18.022 0.432 1.00 0.00 O ATOM 1434 OD2 ASP A 95 13.210 17.076 -1.082 1.00 0.00 O ATOM 0 H ASP A 95 9.868 14.210 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 95 11.418 14.904 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.208 15.861 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.095 17.018 -1.191 1.00 0.00 H new ATOM 1439 N TYR A 96 8.382 15.966 1.024 1.00 0.00 N ATOM 1440 CA TYR A 96 7.484 16.571 2.000 1.00 0.00 C ATOM 1441 C TYR A 96 7.344 15.685 3.234 1.00 0.00 C ATOM 1442 O TYR A 96 7.782 16.047 4.326 1.00 0.00 O ATOM 1443 CB TYR A 96 6.109 16.816 1.376 1.00 0.00 C ATOM 1444 CG TYR A 96 6.130 17.814 0.240 1.00 0.00 C ATOM 1445 CD1 TYR A 96 5.964 19.172 0.479 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.314 17.398 -1.073 1.00 0.00 C ATOM 1447 CE1 TYR A 96 5.981 20.087 -0.556 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.333 18.306 -2.114 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.166 19.649 -1.850 1.00 0.00 C ATOM 1450 OH TYR A 96 6.184 20.556 -2.885 1.00 0.00 O ATOM 0 H TYR A 96 7.911 15.524 0.235 1.00 0.00 H new ATOM 0 HA TYR A 96 7.912 17.525 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.711 15.869 1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.427 17.171 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.819 19.519 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.444 16.347 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.850 21.140 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.478 17.966 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 96 6.325 20.083 -3.732 1.00 0.00 H new ATOM 1460 N GLY A 97 6.730 14.519 3.052 1.00 0.00 N ATOM 1461 CA GLY A 97 6.543 13.598 4.157 1.00 0.00 C ATOM 1462 C GLY A 97 5.730 12.380 3.766 1.00 0.00 C ATOM 1463 O GLY A 97 5.192 12.312 2.660 1.00 0.00 O ATOM 0 H GLY A 97 6.359 14.197 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.517 13.277 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.045 14.116 4.977 1.00 0.00 H new ATOM 1467 N THR A 98 5.640 11.413 4.674 1.00 0.00 N ATOM 1468 CA THR A 98 4.890 10.191 4.417 1.00 0.00 C ATOM 1469 C THR A 98 3.390 10.463 4.381 1.00 0.00 C ATOM 1470 O THR A 98 2.807 10.910 5.369 1.00 0.00 O ATOM 1471 CB THR A 98 5.180 9.119 5.484 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.593 8.993 5.680 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.598 7.775 5.074 1.00 0.00 C ATOM 0 H THR A 98 6.078 11.453 5.594 1.00 0.00 H new ATOM 0 HA THR A 98 5.213 9.821 3.444 1.00 0.00 H new ATOM 0 HB THR A 98 4.710 9.430 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.769 8.311 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.816 7.034 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.519 7.867 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.042 7.459 4.130 1.00 0.00 H new ATOM 1481 N SER A 99 2.771 10.190 3.237 1.00 0.00 N ATOM 1482 CA SER A 99 1.339 10.409 3.072 1.00 0.00 C ATOM 1483 C SER A 99 0.537 9.355 3.830 1.00 0.00 C ATOM 1484 O SER A 99 1.050 8.286 4.159 1.00 0.00 O ATOM 1485 CB SER A 99 0.964 10.382 1.589 1.00 0.00 C ATOM 1486 OG SER A 99 1.511 9.243 0.947 1.00 0.00 O ATOM 0 H SER A 99 3.239 9.817 2.411 1.00 0.00 H new ATOM 0 HA SER A 99 1.097 11.389 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.121 10.377 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.326 11.287 1.102 1.00 0.00 H new ATOM 0 HG SER A 99 2.475 9.369 0.823 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.726 9.666 4.106 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.579 8.737 4.823 1.00 0.00 C ATOM 1494 C GLY A 100 -1.277 7.291 4.483 1.00 0.00 C ATOM 1495 O GLY A 100 -0.862 6.983 3.366 1.00 0.00 O ATOM 0 H GLY A 100 -1.173 10.545 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.455 8.888 5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.622 8.952 4.589 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.483 6.402 5.449 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.227 4.980 5.246 1.00 0.00 C ATOM 1501 C PHE A 101 -2.427 4.299 4.595 1.00 0.00 C ATOM 1502 O PHE A 101 -3.570 4.511 5.000 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.904 4.304 6.580 1.00 0.00 C ATOM 1504 CG PHE A 101 0.443 4.676 7.130 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.590 4.048 6.673 1.00 0.00 C ATOM 1506 CD2 PHE A 101 0.562 5.654 8.105 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.831 4.388 7.178 1.00 0.00 C ATOM 1508 CE2 PHE A 101 1.800 5.998 8.613 1.00 0.00 C ATOM 1509 CZ PHE A 101 2.936 5.365 8.149 1.00 0.00 C ATOM 0 H PHE A 101 -1.826 6.640 6.379 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.370 4.881 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.671 4.570 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.949 3.223 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.514 3.284 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.323 6.153 8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.718 3.890 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.879 6.762 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.905 5.633 8.544 1.00 0.00 H new ATOM 1519 N SER A 102 -2.158 3.480 3.584 1.00 0.00 N ATOM 1520 CA SER A 102 -3.215 2.770 2.872 1.00 0.00 C ATOM 1521 C SER A 102 -4.066 1.953 3.839 1.00 0.00 C ATOM 1522 O SER A 102 -3.711 1.786 5.006 1.00 0.00 O ATOM 1523 CB SER A 102 -2.614 1.855 1.804 1.00 0.00 C ATOM 1524 OG SER A 102 -1.857 0.812 2.394 1.00 0.00 O ATOM 0 H SER A 102 -1.217 3.291 3.239 1.00 0.00 H new ATOM 0 HA SER A 102 -3.854 3.509 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.411 1.430 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.978 2.438 1.137 1.00 0.00 H new ATOM 0 HG SER A 102 -2.238 -0.054 2.138 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.191 1.445 3.344 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.093 0.646 4.164 1.00 0.00 C ATOM 1532 C GLU A 103 -5.396 -0.615 4.669 1.00 0.00 C ATOM 1533 O GLU A 103 -4.774 -1.343 3.897 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.342 0.266 3.366 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.152 1.464 2.899 1.00 0.00 C ATOM 1536 CD GLU A 103 -7.714 1.969 1.538 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -7.759 1.183 0.570 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -7.327 3.153 1.443 1.00 0.00 O ATOM 0 H GLU A 103 -5.499 1.573 2.380 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.389 1.247 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.044 -0.321 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.976 -0.373 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.207 1.192 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.058 2.268 3.629 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.506 -0.864 5.970 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.886 -2.035 6.578 1.00 0.00 C ATOM 1547 C GLU A 104 -5.412 -3.320 5.945 1.00 0.00 C ATOM 1548 O GLU A 104 -6.614 -3.586 5.961 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.146 -2.053 8.086 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.709 -0.781 8.794 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.802 0.268 8.836 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -6.839 0.019 9.487 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.622 1.338 8.218 1.00 0.00 O ATOM 0 H GLU A 104 -6.018 -0.271 6.623 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.812 -1.977 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.211 -2.209 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.623 -2.902 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.404 -1.023 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.835 -0.370 8.288 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.503 -4.113 5.387 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.874 -5.371 4.749 1.00 0.00 C ATOM 1562 C VAL A 105 -4.393 -6.564 5.565 1.00 0.00 C ATOM 1563 O VAL A 105 -3.249 -6.598 6.022 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.295 -5.469 3.325 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.076 -4.581 2.368 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.820 -5.101 3.324 1.00 0.00 C ATOM 0 H VAL A 105 -3.504 -3.907 5.364 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.962 -5.389 4.693 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.389 -6.500 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.652 -4.664 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.119 -4.897 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.017 -3.545 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.427 -5.176 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.700 -4.080 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.274 -5.783 3.976 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.272 -7.544 5.746 1.00 0.00 N ATOM 1577 CA LEU A 106 -4.936 -8.742 6.507 1.00 0.00 C ATOM 1578 C LEU A 106 -4.903 -9.970 5.603 1.00 0.00 C ATOM 1579 O LEU A 106 -5.843 -10.225 4.849 1.00 0.00 O ATOM 1580 CB LEU A 106 -5.948 -8.953 7.636 1.00 0.00 C ATOM 1581 CG LEU A 106 -5.687 -10.145 8.557 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.408 -9.935 9.352 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -6.868 -10.366 9.490 1.00 0.00 C ATOM 0 H LEU A 106 -6.222 -7.532 5.376 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.944 -8.603 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.977 -8.049 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.937 -9.071 7.193 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.565 -11.036 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.239 -10.793 10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.567 -9.827 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.500 -9.034 9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.665 -11.218 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.022 -9.475 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.764 -10.563 8.902 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.816 -10.730 5.686 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.660 -11.931 4.875 1.00 0.00 C ATOM 1597 C TYR A 107 -3.345 -13.141 5.749 1.00 0.00 C ATOM 1598 O TYR A 107 -2.834 -13.002 6.861 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.551 -11.733 3.840 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.933 -10.797 2.716 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -2.701 -9.430 2.815 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -3.525 -11.279 1.555 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.049 -8.571 1.790 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.874 -10.427 0.525 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.635 -9.074 0.647 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.981 -8.222 -0.376 1.00 0.00 O ATOM 0 H TYR A 107 -3.030 -10.535 6.307 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.602 -12.114 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.664 -11.344 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.281 -12.702 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -2.241 -9.033 3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.716 -12.337 1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -2.863 -7.511 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.332 -10.818 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.467 -7.391 -0.298 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.652 -14.328 5.239 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.403 -15.564 5.972 1.00 0.00 C ATOM 1618 C TYR A 108 -2.582 -16.539 5.134 1.00 0.00 C ATOM 1619 O TYR A 108 -3.024 -16.997 4.080 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.726 -16.214 6.380 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.215 -15.786 7.746 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.883 -14.579 7.919 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -5.009 -16.586 8.862 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.331 -14.183 9.165 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.455 -16.199 10.111 1.00 0.00 C ATOM 1626 CZ TYR A 108 -6.115 -14.997 10.257 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.559 -14.607 11.500 1.00 0.00 O ATOM 0 H TYR A 108 -4.074 -14.461 4.320 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.835 -15.317 6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.486 -15.969 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.608 -17.297 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.055 -13.940 7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.491 -17.527 8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.847 -13.242 9.283 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.288 -16.834 10.968 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.328 -15.293 12.160 1.00 0.00 H new ATOM 1637 N THR A 109 -1.381 -16.853 5.611 1.00 0.00 N ATOM 1638 CA THR A 109 -0.496 -17.773 4.908 1.00 0.00 C ATOM 1639 C THR A 109 -1.263 -18.983 4.387 1.00 0.00 C ATOM 1640 O THR A 109 -2.384 -19.252 4.817 1.00 0.00 O ATOM 1641 CB THR A 109 0.649 -18.257 5.818 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.120 -18.726 7.063 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.646 -17.137 6.074 1.00 0.00 C ATOM 0 H THR A 109 -0.999 -16.483 6.482 1.00 0.00 H new ATOM 0 HA THR A 109 -0.073 -17.224 4.066 1.00 0.00 H new ATOM 0 HB THR A 109 1.165 -19.073 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.820 -18.695 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.445 -17.502 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.068 -16.802 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.140 -16.303 6.560 1.00 0.00 H new ATOM 1651 N SER A 110 -0.650 -19.711 3.459 1.00 0.00 N ATOM 1652 CA SER A 110 -1.277 -20.893 2.878 1.00 0.00 C ATOM 1653 C SER A 110 -2.092 -21.646 3.924 1.00 0.00 C ATOM 1654 O SER A 110 -3.304 -21.806 3.787 1.00 0.00 O ATOM 1655 CB SER A 110 -0.215 -21.817 2.279 1.00 0.00 C ATOM 1656 OG SER A 110 -0.763 -22.627 1.254 1.00 0.00 O ATOM 0 H SER A 110 0.279 -19.503 3.093 1.00 0.00 H new ATOM 0 HA SER A 110 -1.951 -20.565 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.605 -21.221 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.204 -22.449 3.061 1.00 0.00 H new ATOM 0 HG SER A 110 -0.064 -23.207 0.886 1.00 0.00 H new