USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 663 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= -1.04 (180deg=-1.67) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -119:sc=-0.00026 (180deg=-0.197) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -0.129 (180deg=-1.16) USER MOD Single : A 49 TYR OH : rot 30:sc= -3.74 USER MOD Single : A 53 SER OG : rot 180:sc= -1.31! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 59 GLN : amide:sc= -0.0261 X(o=-0.026,f=-0.0068) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.449 USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 0.254 (180deg=0.202) USER MOD Single : A 69 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.78) USER MOD Single : A 81 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.066) USER MOD Single : A 82 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 171:sc= -8.52! (180deg=-8.76!) USER MOD Single : A 93 GLN : amide:sc= -9.01! C(o=-9!,f=-8.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 96 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.4!) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -16! C(o=-18!,f=-16!) USER MOD Single : A 99 HIS : no HE2:sc= -5.01! C(o=-5!,f=-9.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 69:sc= -4.59! USER MOD Single : A 110 SER OG : rot 180:sc= -3.01! USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.321 14.553 0.744 1.00 0.00 N ATOM 178 CA ARG A 28 3.467 13.102 1.062 1.00 0.00 C ATOM 179 C ARG A 28 2.161 12.363 0.759 1.00 0.00 C ATOM 180 O ARG A 28 1.228 12.927 0.222 1.00 0.00 O ATOM 181 CB ARG A 28 3.780 13.046 2.558 1.00 0.00 C ATOM 182 CG ARG A 28 5.296 13.003 2.765 1.00 0.00 C ATOM 183 CD ARG A 28 5.947 14.172 2.022 1.00 0.00 C ATOM 184 NE ARG A 28 7.377 13.783 1.873 1.00 0.00 N ATOM 185 CZ ARG A 28 8.243 14.643 1.409 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.938 15.384 0.378 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.412 14.764 1.975 1.00 0.00 N ATOM 0 HA ARG A 28 4.248 12.628 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.359 13.917 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.317 12.166 3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.530 13.059 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.697 12.058 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.478 14.333 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.847 15.101 2.583 1.00 0.00 H new ATOM 0 HE ARG A 28 7.680 12.844 2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.024 15.291 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.614 16.056 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.651 14.186 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.088 15.436 1.611 1.00 0.00 H new ATOM 199 N VAL A 29 2.086 11.106 1.101 1.00 0.00 N ATOM 200 CA VAL A 29 0.838 10.334 0.833 1.00 0.00 C ATOM 201 C VAL A 29 0.623 9.280 1.921 1.00 0.00 C ATOM 202 O VAL A 29 1.280 8.256 1.935 1.00 0.00 O ATOM 203 CB VAL A 29 1.062 9.664 -0.523 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.015 8.568 -0.729 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.930 10.707 -1.635 1.00 0.00 C ATOM 0 H VAL A 29 2.833 10.580 1.554 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.045 10.973 0.829 1.00 0.00 H new ATOM 0 HB VAL A 29 2.059 9.225 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.174 8.090 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.106 7.825 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.982 9.008 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.090 10.230 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.068 11.145 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.674 11.490 -1.490 1.00 0.00 H new ATOM 215 N PRO A 30 -0.301 9.568 2.799 1.00 0.00 N ATOM 216 CA PRO A 30 -0.624 8.635 3.903 1.00 0.00 C ATOM 217 C PRO A 30 -1.391 7.421 3.365 1.00 0.00 C ATOM 218 O PRO A 30 -2.607 7.403 3.322 1.00 0.00 O ATOM 219 CB PRO A 30 -1.499 9.470 4.834 1.00 0.00 C ATOM 220 CG PRO A 30 -2.096 10.527 3.961 1.00 0.00 C ATOM 221 CD PRO A 30 -1.120 10.783 2.841 1.00 0.00 C ATOM 0 HA PRO A 30 0.258 8.238 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.273 8.860 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.911 9.909 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.058 10.202 3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.277 11.439 4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.634 10.951 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.513 11.667 3.035 1.00 0.00 H new ATOM 229 N VAL A 31 -0.686 6.415 2.932 1.00 0.00 N ATOM 230 CA VAL A 31 -1.362 5.214 2.382 1.00 0.00 C ATOM 231 C VAL A 31 -1.763 4.246 3.502 1.00 0.00 C ATOM 232 O VAL A 31 -1.015 4.009 4.429 1.00 0.00 O ATOM 233 CB VAL A 31 -0.330 4.566 1.446 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.486 5.643 0.726 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.618 3.653 2.236 1.00 0.00 C ATOM 0 H VAL A 31 0.333 6.375 2.936 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.283 5.473 1.859 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.869 3.969 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.213 5.169 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.181 6.272 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.008 6.256 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.341 3.204 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.144 4.239 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.043 2.867 2.725 1.00 0.00 H new ATOM 245 N ILE A 32 -2.930 3.667 3.407 1.00 0.00 N ATOM 246 CA ILE A 32 -3.368 2.693 4.447 1.00 0.00 C ATOM 247 C ILE A 32 -3.018 1.279 3.980 1.00 0.00 C ATOM 248 O ILE A 32 -2.827 1.041 2.804 1.00 0.00 O ATOM 249 CB ILE A 32 -4.882 2.866 4.554 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.200 4.287 5.022 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.439 1.860 5.564 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.565 4.528 6.394 1.00 0.00 C ATOM 0 H ILE A 32 -3.599 3.827 2.654 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.884 2.856 5.410 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.338 2.694 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.821 5.012 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.279 4.429 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.519 1.982 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.211 0.847 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.984 2.033 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.792 5.541 6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.966 3.812 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.485 4.403 6.322 1.00 0.00 H new ATOM 264 N VAL A 33 -2.918 0.340 4.877 1.00 0.00 N ATOM 265 CA VAL A 33 -2.563 -1.037 4.446 1.00 0.00 C ATOM 266 C VAL A 33 -3.472 -2.078 5.107 1.00 0.00 C ATOM 267 O VAL A 33 -3.730 -2.043 6.294 1.00 0.00 O ATOM 268 CB VAL A 33 -1.100 -1.211 4.871 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.787 -2.688 5.130 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.197 -0.695 3.750 1.00 0.00 C ATOM 0 H VAL A 33 -3.065 0.465 5.879 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.694 -1.181 3.373 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.926 -0.651 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.256 -2.792 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.433 -3.063 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.961 -3.262 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.847 -0.813 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.387 -1.263 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.406 0.360 3.570 1.00 0.00 H new ATOM 280 N GLU A 34 -3.943 -3.007 4.327 1.00 0.00 N ATOM 281 CA GLU A 34 -4.829 -4.079 4.860 1.00 0.00 C ATOM 282 C GLU A 34 -4.610 -5.370 4.061 1.00 0.00 C ATOM 283 O GLU A 34 -3.969 -5.372 3.025 1.00 0.00 O ATOM 284 CB GLU A 34 -6.252 -3.558 4.661 1.00 0.00 C ATOM 285 CG GLU A 34 -7.064 -3.787 5.937 1.00 0.00 C ATOM 286 CD GLU A 34 -8.557 -3.759 5.607 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.890 -3.393 4.491 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.342 -4.106 6.473 1.00 0.00 O ATOM 0 H GLU A 34 -3.749 -3.071 3.328 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.628 -4.306 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.231 -2.496 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.723 -4.069 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.798 -4.746 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.829 -3.018 6.672 1.00 0.00 H new ATOM 295 N LYS A 35 -5.135 -6.468 4.529 1.00 0.00 N ATOM 296 CA LYS A 35 -4.949 -7.749 3.788 1.00 0.00 C ATOM 297 C LYS A 35 -6.198 -8.084 2.973 1.00 0.00 C ATOM 298 O LYS A 35 -7.292 -7.655 3.282 1.00 0.00 O ATOM 299 CB LYS A 35 -4.728 -8.810 4.864 1.00 0.00 C ATOM 300 CG LYS A 35 -3.403 -9.533 4.612 1.00 0.00 C ATOM 301 CD LYS A 35 -2.259 -8.516 4.575 1.00 0.00 C ATOM 302 CE LYS A 35 -2.382 -7.560 5.764 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.455 -8.442 6.961 1.00 0.00 N ATOM 0 H LYS A 35 -5.682 -6.535 5.387 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.115 -7.691 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.718 -8.345 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.551 -9.525 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.224 -10.268 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.449 -10.078 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.299 -9.032 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.287 -7.956 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.526 -6.888 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.272 -6.936 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.911 -8.017 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.448 -8.551 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.058 -9.375 6.730 1.00 0.00 H new ATOM 317 N ALA A 36 -6.039 -8.865 1.943 1.00 0.00 N ATOM 318 CA ALA A 36 -7.212 -9.253 1.107 1.00 0.00 C ATOM 319 C ALA A 36 -8.166 -10.110 1.943 1.00 0.00 C ATOM 320 O ALA A 36 -7.967 -10.269 3.131 1.00 0.00 O ATOM 321 CB ALA A 36 -6.623 -10.061 -0.051 1.00 0.00 C ATOM 0 H ALA A 36 -5.145 -9.254 1.642 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.780 -8.396 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.425 -10.384 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.920 -9.441 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.103 -10.935 0.342 1.00 0.00 H new ATOM 327 N PRO A 37 -9.172 -10.646 1.303 1.00 0.00 N ATOM 328 CA PRO A 37 -10.144 -11.497 2.027 1.00 0.00 C ATOM 329 C PRO A 37 -9.503 -12.843 2.372 1.00 0.00 C ATOM 330 O PRO A 37 -9.279 -13.676 1.516 1.00 0.00 O ATOM 331 CB PRO A 37 -11.289 -11.664 1.033 1.00 0.00 C ATOM 332 CG PRO A 37 -10.672 -11.451 -0.312 1.00 0.00 C ATOM 333 CD PRO A 37 -9.502 -10.519 -0.123 1.00 0.00 C ATOM 0 HA PRO A 37 -10.479 -11.069 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.736 -12.655 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.083 -10.941 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.344 -12.399 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.397 -11.023 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.660 -10.803 -0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.763 -9.493 -0.382 1.00 0.00 H new ATOM 341 N LYS A 38 -9.202 -13.057 3.624 1.00 0.00 N ATOM 342 CA LYS A 38 -8.571 -14.341 4.033 1.00 0.00 C ATOM 343 C LYS A 38 -7.201 -14.495 3.365 1.00 0.00 C ATOM 344 O LYS A 38 -6.842 -15.559 2.901 1.00 0.00 O ATOM 345 CB LYS A 38 -9.536 -15.420 3.549 1.00 0.00 C ATOM 346 CG LYS A 38 -10.188 -16.096 4.756 1.00 0.00 C ATOM 347 CD LYS A 38 -11.706 -16.113 4.573 1.00 0.00 C ATOM 348 CE LYS A 38 -12.380 -15.615 5.854 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.108 -16.797 6.391 1.00 0.00 N ATOM 0 H LYS A 38 -9.367 -12.395 4.382 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.402 -14.399 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.300 -14.980 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.003 -16.158 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.813 -17.114 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.927 -15.562 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.989 -15.481 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.044 -17.123 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.645 -15.246 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.063 -14.792 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.596 -16.534 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.806 -17.122 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.431 -17.562 6.586 1.00 0.00 H new ATOM 363 N ALA A 39 -6.431 -13.439 3.316 1.00 0.00 N ATOM 364 CA ALA A 39 -5.084 -13.528 2.681 1.00 0.00 C ATOM 365 C ALA A 39 -4.193 -14.489 3.474 1.00 0.00 C ATOM 366 O ALA A 39 -4.618 -15.091 4.439 1.00 0.00 O ATOM 367 CB ALA A 39 -4.525 -12.106 2.738 1.00 0.00 C ATOM 0 H ALA A 39 -6.677 -12.521 3.687 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.130 -13.905 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.532 -12.087 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.185 -11.434 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.459 -11.782 3.777 1.00 0.00 H new ATOM 373 N ARG A 40 -2.959 -14.640 3.074 1.00 0.00 N ATOM 374 CA ARG A 40 -2.050 -15.566 3.808 1.00 0.00 C ATOM 375 C ARG A 40 -0.598 -15.088 3.707 1.00 0.00 C ATOM 376 O ARG A 40 0.320 -15.880 3.619 1.00 0.00 O ATOM 377 CB ARG A 40 -2.215 -16.917 3.112 1.00 0.00 C ATOM 378 CG ARG A 40 -1.543 -16.864 1.738 1.00 0.00 C ATOM 379 CD ARG A 40 -0.405 -17.886 1.687 1.00 0.00 C ATOM 380 NE ARG A 40 -1.070 -19.210 1.827 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.491 -20.283 1.363 1.00 0.00 C ATOM 382 NH1 ARG A 40 0.438 -20.877 2.063 1.00 0.00 N ATOM 383 NH2 ARG A 40 -0.838 -20.763 0.201 1.00 0.00 N ATOM 0 H ARG A 40 -2.543 -14.164 2.274 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.291 -15.618 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.770 -17.707 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.273 -17.156 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.272 -17.076 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.156 -15.863 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.145 -17.818 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.313 -17.718 2.490 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.978 -19.278 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.710 -20.502 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.891 -21.716 1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.563 -20.299 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.384 -21.602 -0.160 1.00 0.00 H new ATOM 395 N ILE A 41 -0.380 -13.802 3.712 1.00 0.00 N ATOM 396 CA ILE A 41 1.012 -13.284 3.611 1.00 0.00 C ATOM 397 C ILE A 41 1.663 -13.252 4.999 1.00 0.00 C ATOM 398 O ILE A 41 1.057 -13.615 5.988 1.00 0.00 O ATOM 399 CB ILE A 41 0.880 -11.867 3.020 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.646 -10.834 4.133 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.287 -11.815 2.029 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.551 -11.226 4.999 1.00 0.00 C ATOM 0 H ILE A 41 -1.105 -13.088 3.782 1.00 0.00 H new ATOM 0 HA ILE A 41 1.645 -13.913 2.985 1.00 0.00 H new ATOM 0 HB ILE A 41 1.809 -11.628 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.538 -10.754 4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.475 -9.852 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.371 -10.809 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.109 -12.524 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.212 -12.075 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.696 -10.479 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.446 -11.281 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.366 -12.198 5.457 1.00 0.00 H new ATOM 414 N GLY A 42 2.894 -12.831 5.081 1.00 0.00 N ATOM 415 CA GLY A 42 3.580 -12.787 6.405 1.00 0.00 C ATOM 416 C GLY A 42 2.846 -11.823 7.336 1.00 0.00 C ATOM 417 O GLY A 42 1.860 -11.215 6.968 1.00 0.00 O ATOM 0 H GLY A 42 3.455 -12.515 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.605 -13.784 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.615 -12.468 6.278 1.00 0.00 H new ATOM 421 N ASP A 43 3.321 -11.680 8.542 1.00 0.00 N ATOM 422 CA ASP A 43 2.654 -10.755 9.504 1.00 0.00 C ATOM 423 C ASP A 43 2.886 -9.303 9.080 1.00 0.00 C ATOM 424 O ASP A 43 3.477 -9.035 8.053 1.00 0.00 O ATOM 425 CB ASP A 43 3.322 -11.033 10.851 1.00 0.00 C ATOM 426 CG ASP A 43 2.315 -10.800 11.978 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.496 -11.677 12.204 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.380 -9.751 12.597 1.00 0.00 O ATOM 0 H ASP A 43 4.143 -12.164 8.904 1.00 0.00 H new ATOM 0 HA ASP A 43 1.576 -10.908 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.688 -12.059 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.187 -10.382 10.981 1.00 0.00 H new ATOM 433 N LEU A 44 2.424 -8.363 9.858 1.00 0.00 N ATOM 434 CA LEU A 44 2.619 -6.933 9.487 1.00 0.00 C ATOM 435 C LEU A 44 3.062 -6.116 10.705 1.00 0.00 C ATOM 436 O LEU A 44 2.500 -6.227 11.777 1.00 0.00 O ATOM 437 CB LEU A 44 1.247 -6.456 9.007 1.00 0.00 C ATOM 438 CG LEU A 44 1.188 -6.489 7.478 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.369 -5.705 6.901 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.254 -7.941 6.996 1.00 0.00 C ATOM 0 H LEU A 44 1.922 -8.522 10.731 1.00 0.00 H new ATOM 0 HA LEU A 44 3.389 -6.813 8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.466 -7.092 9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.059 -5.444 9.365 1.00 0.00 H new ATOM 0 HG LEU A 44 0.255 -6.036 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.325 -5.730 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.321 -4.671 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.303 -6.155 7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.212 -7.965 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.186 -8.394 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.411 -8.498 7.404 1.00 0.00 H new ATOM 452 N ASP A 45 4.057 -5.288 10.541 1.00 0.00 N ATOM 453 CA ASP A 45 4.527 -4.452 11.683 1.00 0.00 C ATOM 454 C ASP A 45 3.699 -3.167 11.753 1.00 0.00 C ATOM 455 O ASP A 45 3.529 -2.578 12.802 1.00 0.00 O ATOM 456 CB ASP A 45 5.990 -4.136 11.372 1.00 0.00 C ATOM 457 CG ASP A 45 6.850 -4.424 12.604 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.841 -3.609 13.513 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.502 -5.455 12.619 1.00 0.00 O ATOM 0 H ASP A 45 4.565 -5.154 9.667 1.00 0.00 H new ATOM 0 HA ASP A 45 4.422 -4.957 12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.331 -4.737 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.093 -3.091 11.080 1.00 0.00 H new ATOM 464 N LYS A 46 3.178 -2.736 10.636 1.00 0.00 N ATOM 465 CA LYS A 46 2.352 -1.496 10.619 1.00 0.00 C ATOM 466 C LYS A 46 1.438 -1.501 9.387 1.00 0.00 C ATOM 467 O LYS A 46 1.774 -2.062 8.363 1.00 0.00 O ATOM 468 CB LYS A 46 3.359 -0.347 10.539 1.00 0.00 C ATOM 469 CG LYS A 46 3.854 -0.005 11.947 1.00 0.00 C ATOM 470 CD LYS A 46 5.195 -0.698 12.200 1.00 0.00 C ATOM 471 CE LYS A 46 6.305 0.350 12.292 1.00 0.00 C ATOM 472 NZ LYS A 46 6.759 0.306 13.709 1.00 0.00 N ATOM 0 H LYS A 46 3.290 -3.192 9.731 1.00 0.00 H new ATOM 0 HA LYS A 46 1.711 -1.408 11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.199 -0.629 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.894 0.527 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.965 1.074 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.122 -0.324 12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.149 -1.275 13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.410 -1.401 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.122 0.120 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.936 1.341 12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.521 0.999 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.962 0.535 14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.111 -0.647 13.931 1.00 0.00 H new ATOM 486 N LYS A 47 0.286 -0.887 9.468 1.00 0.00 N ATOM 487 CA LYS A 47 -0.629 -0.873 8.290 1.00 0.00 C ATOM 488 C LYS A 47 -0.829 0.560 7.800 1.00 0.00 C ATOM 489 O LYS A 47 -1.931 0.986 7.519 1.00 0.00 O ATOM 490 CB LYS A 47 -1.945 -1.460 8.800 1.00 0.00 C ATOM 491 CG LYS A 47 -1.755 -2.945 9.116 1.00 0.00 C ATOM 492 CD LYS A 47 -1.327 -3.107 10.576 1.00 0.00 C ATOM 493 CE LYS A 47 -1.502 -4.565 11.003 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.952 -4.705 11.312 1.00 0.00 N ATOM 0 H LYS A 47 -0.058 -0.398 10.294 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.233 -1.443 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.271 -0.927 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.726 -1.334 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.683 -3.487 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.002 -3.374 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.287 -2.805 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.924 -2.456 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.200 -5.248 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.889 -4.798 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.070 -4.974 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.433 -3.799 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.367 -5.439 10.704 1.00 0.00 H new ATOM 508 N LYS A 48 0.233 1.305 7.696 1.00 0.00 N ATOM 509 CA LYS A 48 0.121 2.712 7.221 1.00 0.00 C ATOM 510 C LYS A 48 1.500 3.222 6.805 1.00 0.00 C ATOM 511 O LYS A 48 2.361 3.448 7.631 1.00 0.00 O ATOM 512 CB LYS A 48 -0.401 3.499 8.423 1.00 0.00 C ATOM 513 CG LYS A 48 0.467 3.197 9.645 1.00 0.00 C ATOM 514 CD LYS A 48 -0.363 2.445 10.687 1.00 0.00 C ATOM 515 CE LYS A 48 -0.319 3.202 12.015 1.00 0.00 C ATOM 516 NZ LYS A 48 1.126 3.271 12.370 1.00 0.00 N ATOM 0 H LYS A 48 1.180 0.999 7.921 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.538 2.812 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.385 4.567 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.438 3.230 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.331 2.600 9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.850 4.125 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.394 2.347 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.026 1.435 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.749 4.199 11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.890 2.683 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.236 3.168 13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.639 2.505 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.514 4.188 12.070 1.00 0.00 H new ATOM 530 N TYR A 49 1.725 3.398 5.533 1.00 0.00 N ATOM 531 CA TYR A 49 3.061 3.885 5.089 1.00 0.00 C ATOM 532 C TYR A 49 2.989 5.349 4.668 1.00 0.00 C ATOM 533 O TYR A 49 2.047 5.787 4.038 1.00 0.00 O ATOM 534 CB TYR A 49 3.441 3.016 3.891 1.00 0.00 C ATOM 535 CG TYR A 49 3.701 1.602 4.347 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.647 0.809 4.817 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.999 1.085 4.304 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.892 -0.500 5.246 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.246 -0.225 4.731 1.00 0.00 C ATOM 540 CZ TYR A 49 4.192 -1.018 5.203 1.00 0.00 C ATOM 541 OH TYR A 49 4.434 -2.308 5.626 1.00 0.00 O ATOM 0 H TYR A 49 1.049 3.228 4.788 1.00 0.00 H new ATOM 0 HA TYR A 49 3.794 3.817 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.639 3.028 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.329 3.420 3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.644 1.208 4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.812 1.697 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.079 -1.110 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.249 -0.624 4.697 1.00 0.00 H new ATOM 0 HH TYR A 49 3.639 -2.858 5.469 1.00 0.00 H new ATOM 551 N LEU A 50 3.999 6.098 4.993 1.00 0.00 N ATOM 552 CA LEU A 50 4.030 7.532 4.600 1.00 0.00 C ATOM 553 C LEU A 50 5.013 7.692 3.442 1.00 0.00 C ATOM 554 O LEU A 50 6.211 7.748 3.636 1.00 0.00 O ATOM 555 CB LEU A 50 4.518 8.282 5.839 1.00 0.00 C ATOM 556 CG LEU A 50 3.496 9.354 6.220 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.578 8.817 7.320 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.227 10.597 6.730 1.00 0.00 C ATOM 0 H LEU A 50 4.812 5.777 5.519 1.00 0.00 H new ATOM 0 HA LEU A 50 3.061 7.911 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.658 7.587 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.487 8.741 5.641 1.00 0.00 H new ATOM 0 HG LEU A 50 2.901 9.615 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.850 9.581 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.056 7.931 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.173 8.556 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.499 11.361 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.822 10.336 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.881 10.981 5.947 1.00 0.00 H new ATOM 570 N VAL A 51 4.520 7.734 2.238 1.00 0.00 N ATOM 571 CA VAL A 51 5.437 7.853 1.070 1.00 0.00 C ATOM 572 C VAL A 51 5.111 9.100 0.246 1.00 0.00 C ATOM 573 O VAL A 51 3.981 9.540 0.202 1.00 0.00 O ATOM 574 CB VAL A 51 5.180 6.583 0.257 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.312 5.357 1.166 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.768 6.632 -0.330 1.00 0.00 C ATOM 0 H VAL A 51 3.526 7.691 2.011 1.00 0.00 H new ATOM 0 HA VAL A 51 6.480 7.952 1.369 1.00 0.00 H new ATOM 0 HB VAL A 51 5.909 6.515 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.129 4.453 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.317 5.322 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.584 5.423 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.583 5.728 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.040 6.700 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.673 7.504 -0.978 1.00 0.00 H new ATOM 586 N PRO A 52 6.125 9.625 -0.387 1.00 0.00 N ATOM 587 CA PRO A 52 5.957 10.835 -1.228 1.00 0.00 C ATOM 588 C PRO A 52 5.138 10.500 -2.480 1.00 0.00 C ATOM 589 O PRO A 52 5.212 9.409 -3.011 1.00 0.00 O ATOM 590 CB PRO A 52 7.393 11.226 -1.579 1.00 0.00 C ATOM 591 CG PRO A 52 8.174 9.958 -1.459 1.00 0.00 C ATOM 592 CD PRO A 52 7.510 9.144 -0.381 1.00 0.00 C ATOM 0 HA PRO A 52 5.420 11.643 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.456 11.636 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.772 11.990 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.181 9.416 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.213 10.166 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.564 8.076 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.984 9.300 0.588 1.00 0.00 H new ATOM 600 N SER A 53 4.342 11.425 -2.939 1.00 0.00 N ATOM 601 CA SER A 53 3.494 11.171 -4.139 1.00 0.00 C ATOM 602 C SER A 53 4.350 10.892 -5.379 1.00 0.00 C ATOM 603 O SER A 53 3.866 10.408 -6.382 1.00 0.00 O ATOM 604 CB SER A 53 2.699 12.462 -4.323 1.00 0.00 C ATOM 605 OG SER A 53 2.719 12.841 -5.694 1.00 0.00 O ATOM 0 H SER A 53 4.241 12.354 -2.531 1.00 0.00 H new ATOM 0 HA SER A 53 2.857 10.296 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.671 12.319 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.126 13.255 -3.709 1.00 0.00 H new ATOM 0 HG SER A 53 2.207 13.669 -5.812 1.00 0.00 H new ATOM 611 N ASP A 54 5.610 11.209 -5.325 1.00 0.00 N ATOM 612 CA ASP A 54 6.486 10.979 -6.511 1.00 0.00 C ATOM 613 C ASP A 54 6.987 9.528 -6.561 1.00 0.00 C ATOM 614 O ASP A 54 7.495 9.079 -7.569 1.00 0.00 O ATOM 615 CB ASP A 54 7.660 11.941 -6.319 1.00 0.00 C ATOM 616 CG ASP A 54 8.334 12.200 -7.667 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.646 12.143 -8.673 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.528 12.452 -7.670 1.00 0.00 O ATOM 0 H ASP A 54 6.074 11.617 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 54 5.952 11.149 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.308 12.879 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.379 11.519 -5.616 1.00 0.00 H new ATOM 623 N LEU A 55 6.863 8.794 -5.489 1.00 0.00 N ATOM 624 CA LEU A 55 7.354 7.381 -5.499 1.00 0.00 C ATOM 625 C LEU A 55 6.601 6.536 -6.524 1.00 0.00 C ATOM 626 O LEU A 55 5.409 6.675 -6.713 1.00 0.00 O ATOM 627 CB LEU A 55 7.083 6.829 -4.099 1.00 0.00 C ATOM 628 CG LEU A 55 8.389 6.750 -3.310 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.174 5.894 -2.061 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.483 6.105 -4.166 1.00 0.00 C ATOM 0 H LEU A 55 6.447 9.106 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 55 8.411 7.349 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.371 7.469 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.630 5.840 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 55 8.694 7.758 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.104 5.835 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.400 6.344 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.865 4.891 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.410 6.054 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.176 5.099 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.643 6.703 -5.063 1.00 0.00 H new ATOM 642 N THR A 56 7.295 5.639 -7.165 1.00 0.00 N ATOM 643 CA THR A 56 6.638 4.753 -8.165 1.00 0.00 C ATOM 644 C THR A 56 6.147 3.470 -7.482 1.00 0.00 C ATOM 645 O THR A 56 6.513 3.173 -6.359 1.00 0.00 O ATOM 646 CB THR A 56 7.729 4.432 -9.187 1.00 0.00 C ATOM 647 OG1 THR A 56 8.972 4.272 -8.516 1.00 0.00 O ATOM 648 CG2 THR A 56 7.836 5.573 -10.198 1.00 0.00 C ATOM 0 H THR A 56 8.295 5.480 -7.039 1.00 0.00 H new ATOM 0 HA THR A 56 5.771 5.222 -8.631 1.00 0.00 H new ATOM 0 HB THR A 56 7.477 3.510 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.672 4.064 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.614 5.343 -10.926 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.883 5.694 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.088 6.497 -9.678 1.00 0.00 H new ATOM 656 N VAL A 57 5.331 2.705 -8.151 1.00 0.00 N ATOM 657 CA VAL A 57 4.828 1.443 -7.540 1.00 0.00 C ATOM 658 C VAL A 57 5.996 0.490 -7.270 1.00 0.00 C ATOM 659 O VAL A 57 5.936 -0.349 -6.395 1.00 0.00 O ATOM 660 CB VAL A 57 3.880 0.848 -8.580 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.476 -0.566 -8.155 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.629 1.724 -8.690 1.00 0.00 C ATOM 0 H VAL A 57 4.991 2.898 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 57 4.328 1.614 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 57 4.382 0.807 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.800 -0.990 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.366 -1.191 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.974 -0.526 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.952 1.300 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.128 1.765 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.915 2.731 -8.994 1.00 0.00 H new ATOM 672 N GLY A 58 7.059 0.612 -8.018 1.00 0.00 N ATOM 673 CA GLY A 58 8.230 -0.287 -7.804 1.00 0.00 C ATOM 674 C GLY A 58 8.890 0.027 -6.458 1.00 0.00 C ATOM 675 O GLY A 58 9.439 -0.842 -5.810 1.00 0.00 O ATOM 0 H GLY A 58 7.168 1.295 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.909 -1.328 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.951 -0.158 -8.611 1.00 0.00 H new ATOM 679 N GLN A 59 8.845 1.261 -6.031 1.00 0.00 N ATOM 680 CA GLN A 59 9.476 1.621 -4.726 1.00 0.00 C ATOM 681 C GLN A 59 8.586 1.164 -3.570 1.00 0.00 C ATOM 682 O GLN A 59 9.042 0.556 -2.614 1.00 0.00 O ATOM 683 CB GLN A 59 9.590 3.144 -4.745 1.00 0.00 C ATOM 684 CG GLN A 59 10.405 3.576 -5.964 1.00 0.00 C ATOM 685 CD GLN A 59 11.863 3.792 -5.554 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.598 2.845 -5.360 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.314 5.008 -5.416 1.00 0.00 N ATOM 0 H GLN A 59 8.400 2.033 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 59 10.447 1.144 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.598 3.594 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.068 3.496 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.344 2.816 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.994 4.495 -6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.696 5.803 -5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.285 5.164 -5.145 1.00 0.00 H new ATOM 696 N PHE A 60 7.315 1.444 -3.646 1.00 0.00 N ATOM 697 CA PHE A 60 6.408 1.013 -2.547 1.00 0.00 C ATOM 698 C PHE A 60 6.441 -0.513 -2.427 1.00 0.00 C ATOM 699 O PHE A 60 6.587 -1.053 -1.352 1.00 0.00 O ATOM 700 CB PHE A 60 5.011 1.493 -2.943 1.00 0.00 C ATOM 701 CG PHE A 60 4.074 1.278 -1.778 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.412 1.776 -0.515 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.879 0.572 -1.956 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.555 1.568 0.574 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.023 0.362 -0.866 1.00 0.00 C ATOM 706 CZ PHE A 60 2.363 0.860 0.397 1.00 0.00 C ATOM 0 H PHE A 60 6.869 1.947 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 60 6.705 1.426 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.038 2.548 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.658 0.946 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.334 2.321 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.617 0.190 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.815 1.954 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.101 -0.184 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.703 0.697 1.236 1.00 0.00 H new ATOM 716 N TYR A 61 6.327 -1.216 -3.519 1.00 0.00 N ATOM 717 CA TYR A 61 6.368 -2.700 -3.451 1.00 0.00 C ATOM 718 C TYR A 61 7.586 -3.149 -2.646 1.00 0.00 C ATOM 719 O TYR A 61 7.628 -4.242 -2.115 1.00 0.00 O ATOM 720 CB TYR A 61 6.478 -3.150 -4.904 1.00 0.00 C ATOM 721 CG TYR A 61 5.436 -4.204 -5.184 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.513 -5.452 -4.552 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.390 -3.931 -6.071 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.542 -6.427 -4.810 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.420 -4.906 -6.330 1.00 0.00 C ATOM 726 CZ TYR A 61 3.496 -6.154 -5.699 1.00 0.00 C ATOM 727 OH TYR A 61 2.538 -7.115 -5.954 1.00 0.00 O ATOM 0 H TYR A 61 6.207 -0.826 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 61 5.493 -3.126 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.338 -2.299 -5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.474 -3.547 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.321 -5.662 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.331 -2.968 -6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.600 -7.389 -4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.613 -4.696 -7.016 1.00 0.00 H new ATOM 0 HH TYR A 61 2.427 -7.684 -5.164 1.00 0.00 H new ATOM 737 N PHE A 62 8.575 -2.309 -2.549 1.00 0.00 N ATOM 738 CA PHE A 62 9.791 -2.676 -1.777 1.00 0.00 C ATOM 739 C PHE A 62 9.551 -2.487 -0.275 1.00 0.00 C ATOM 740 O PHE A 62 9.754 -3.392 0.508 1.00 0.00 O ATOM 741 CB PHE A 62 10.876 -1.720 -2.275 1.00 0.00 C ATOM 742 CG PHE A 62 12.180 -2.468 -2.413 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.432 -3.229 -3.561 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.137 -2.402 -1.393 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.641 -3.924 -3.689 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.346 -3.096 -1.521 1.00 0.00 C ATOM 747 CZ PHE A 62 14.598 -3.857 -2.669 1.00 0.00 C ATOM 0 H PHE A 62 8.594 -1.381 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 62 10.069 -3.720 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.586 -1.292 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.992 -0.890 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.694 -3.280 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.942 -1.816 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.835 -4.511 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.084 -3.044 -0.734 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.531 -4.392 -2.768 1.00 0.00 H new ATOM 757 N LEU A 63 9.146 -1.314 0.140 1.00 0.00 N ATOM 758 CA LEU A 63 8.932 -1.094 1.609 1.00 0.00 C ATOM 759 C LEU A 63 7.874 -2.048 2.194 1.00 0.00 C ATOM 760 O LEU A 63 7.861 -2.290 3.385 1.00 0.00 O ATOM 761 CB LEU A 63 8.532 0.381 1.800 1.00 0.00 C ATOM 762 CG LEU A 63 7.364 0.790 0.896 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.035 0.384 1.536 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.398 2.312 0.726 1.00 0.00 C ATOM 0 H LEU A 63 8.956 -0.510 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 63 9.851 -1.313 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.258 0.549 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.391 1.018 1.590 1.00 0.00 H new ATOM 0 HG LEU A 63 7.455 0.293 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.212 0.680 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.015 -0.696 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.930 0.879 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.574 2.625 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.301 2.789 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.344 2.606 0.271 1.00 0.00 H new ATOM 776 N ILE A 64 7.009 -2.625 1.394 1.00 0.00 N ATOM 777 CA ILE A 64 6.012 -3.585 1.982 1.00 0.00 C ATOM 778 C ILE A 64 6.593 -4.991 1.942 1.00 0.00 C ATOM 779 O ILE A 64 6.398 -5.785 2.841 1.00 0.00 O ATOM 780 CB ILE A 64 4.754 -3.553 1.112 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.474 -2.142 0.611 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.562 -4.044 1.936 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.072 -2.091 0.002 1.00 0.00 C ATOM 0 H ILE A 64 6.947 -2.481 0.386 1.00 0.00 H new ATOM 0 HA ILE A 64 5.780 -3.309 3.011 1.00 0.00 H new ATOM 0 HB ILE A 64 4.910 -4.201 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.552 -1.430 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.217 -1.854 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.662 -4.024 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.748 -5.064 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.426 -3.395 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.868 -1.082 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.011 -2.792 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.336 -2.362 0.759 1.00 0.00 H new ATOM 795 N ARG A 65 7.291 -5.303 0.882 1.00 0.00 N ATOM 796 CA ARG A 65 7.892 -6.663 0.738 1.00 0.00 C ATOM 797 C ARG A 65 8.354 -7.201 2.096 1.00 0.00 C ATOM 798 O ARG A 65 7.821 -8.166 2.604 1.00 0.00 O ATOM 799 CB ARG A 65 9.087 -6.469 -0.195 1.00 0.00 C ATOM 800 CG ARG A 65 8.749 -7.028 -1.578 1.00 0.00 C ATOM 801 CD ARG A 65 9.702 -6.433 -2.617 1.00 0.00 C ATOM 802 NE ARG A 65 9.649 -7.376 -3.768 1.00 0.00 N ATOM 803 CZ ARG A 65 8.500 -7.688 -4.303 1.00 0.00 C ATOM 804 NH1 ARG A 65 7.967 -6.910 -5.205 1.00 0.00 N ATOM 805 NH2 ARG A 65 7.884 -8.779 -3.936 1.00 0.00 N ATOM 0 H ARG A 65 7.472 -4.669 0.103 1.00 0.00 H new ATOM 0 HA ARG A 65 7.175 -7.385 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.336 -5.410 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.964 -6.975 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.833 -8.115 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.717 -6.789 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.390 -5.431 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.714 -6.348 -2.222 1.00 0.00 H new ATOM 0 HE ARG A 65 10.510 -7.778 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.448 -6.058 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.069 -7.154 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.301 -9.387 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.986 -9.023 -4.354 1.00 0.00 H new ATOM 817 N LYS A 66 9.337 -6.588 2.693 1.00 0.00 N ATOM 818 CA LYS A 66 9.816 -7.077 4.019 1.00 0.00 C ATOM 819 C LYS A 66 8.700 -6.953 5.059 1.00 0.00 C ATOM 820 O LYS A 66 8.610 -7.736 5.984 1.00 0.00 O ATOM 821 CB LYS A 66 10.992 -6.167 4.376 1.00 0.00 C ATOM 822 CG LYS A 66 12.161 -6.449 3.429 1.00 0.00 C ATOM 823 CD LYS A 66 12.262 -5.328 2.393 1.00 0.00 C ATOM 824 CE LYS A 66 13.592 -4.589 2.569 1.00 0.00 C ATOM 825 NZ LYS A 66 13.382 -3.263 1.926 1.00 0.00 N ATOM 0 H LYS A 66 9.828 -5.774 2.324 1.00 0.00 H new ATOM 0 HA LYS A 66 10.110 -8.126 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.693 -5.122 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.297 -6.337 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.091 -6.521 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.016 -7.407 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.194 -5.741 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.430 -4.634 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.847 -4.481 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.411 -5.132 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.147 -2.617 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.383 -3.375 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.469 -2.870 2.231 1.00 0.00 H new ATOM 839 N ARG A 67 7.850 -5.974 4.917 1.00 0.00 N ATOM 840 CA ARG A 67 6.740 -5.798 5.897 1.00 0.00 C ATOM 841 C ARG A 67 5.749 -6.965 5.803 1.00 0.00 C ATOM 842 O ARG A 67 4.954 -7.185 6.696 1.00 0.00 O ATOM 843 CB ARG A 67 6.064 -4.488 5.496 1.00 0.00 C ATOM 844 CG ARG A 67 7.003 -3.316 5.792 1.00 0.00 C ATOM 845 CD ARG A 67 7.120 -3.124 7.305 1.00 0.00 C ATOM 846 NE ARG A 67 8.195 -2.108 7.481 1.00 0.00 N ATOM 847 CZ ARG A 67 8.717 -1.903 8.660 1.00 0.00 C ATOM 848 NH1 ARG A 67 8.154 -2.413 9.721 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.802 -1.189 8.777 1.00 0.00 N ATOM 0 H ARG A 67 7.876 -5.287 4.164 1.00 0.00 H new ATOM 0 HA ARG A 67 7.101 -5.776 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.812 -4.507 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.130 -4.366 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.986 -3.507 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.623 -2.406 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.178 -2.781 7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.375 -4.059 7.803 1.00 0.00 H new ATOM 0 HE ARG A 67 8.524 -1.571 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.306 -2.972 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.562 -2.253 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.242 -0.791 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.210 -1.029 9.698 1.00 0.00 H new ATOM 861 N ILE A 68 5.789 -7.718 4.734 1.00 0.00 N ATOM 862 CA ILE A 68 4.847 -8.866 4.599 1.00 0.00 C ATOM 863 C ILE A 68 5.585 -10.177 4.881 1.00 0.00 C ATOM 864 O ILE A 68 5.084 -11.254 4.629 1.00 0.00 O ATOM 865 CB ILE A 68 4.362 -8.806 3.151 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.326 -7.686 3.012 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.717 -10.135 2.760 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.987 -7.476 1.537 1.00 0.00 C ATOM 0 H ILE A 68 6.431 -7.587 3.952 1.00 0.00 H new ATOM 0 HA ILE A 68 4.015 -8.817 5.302 1.00 0.00 H new ATOM 0 HB ILE A 68 5.212 -8.612 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.424 -7.941 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.715 -6.762 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.374 -10.083 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.448 -10.937 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.868 -10.334 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.250 -6.679 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.890 -7.202 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.579 -8.398 1.123 1.00 0.00 H new ATOM 880 N HIS A 69 6.775 -10.087 5.407 1.00 0.00 N ATOM 881 CA HIS A 69 7.559 -11.315 5.716 1.00 0.00 C ATOM 882 C HIS A 69 7.635 -12.227 4.495 1.00 0.00 C ATOM 883 O HIS A 69 7.850 -13.417 4.604 1.00 0.00 O ATOM 884 CB HIS A 69 6.808 -11.997 6.859 1.00 0.00 C ATOM 885 CG HIS A 69 7.753 -12.270 7.997 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.126 -12.359 7.816 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.538 -12.477 9.337 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.677 -12.609 9.018 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.753 -12.691 9.979 1.00 0.00 N ATOM 0 H HIS A 69 7.241 -9.209 5.637 1.00 0.00 H new ATOM 0 HA HIS A 69 8.587 -11.082 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.989 -11.363 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.365 -12.930 6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.572 -12.474 9.819 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.737 -12.729 9.185 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.906 -12.872 10.971 1.00 0.00 H new ATOM 897 N LEU A 70 7.479 -11.669 3.334 1.00 0.00 N ATOM 898 CA LEU A 70 7.564 -12.499 2.095 1.00 0.00 C ATOM 899 C LEU A 70 9.004 -12.492 1.579 1.00 0.00 C ATOM 900 O LEU A 70 9.776 -11.607 1.889 1.00 0.00 O ATOM 901 CB LEU A 70 6.607 -11.856 1.084 1.00 0.00 C ATOM 902 CG LEU A 70 7.074 -10.442 0.720 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.255 -10.522 -0.251 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.923 -9.688 0.049 1.00 0.00 C ATOM 0 H LEU A 70 7.296 -10.677 3.183 1.00 0.00 H new ATOM 0 HA LEU A 70 7.288 -13.538 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.554 -12.470 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.601 -11.816 1.502 1.00 0.00 H new ATOM 0 HG LEU A 70 7.383 -9.919 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.584 -9.515 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.076 -11.064 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.947 -11.045 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.250 -8.682 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.620 -10.217 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.078 -9.628 0.735 1.00 0.00 H new ATOM 916 N ARG A 71 9.384 -13.474 0.808 1.00 0.00 N ATOM 917 CA ARG A 71 10.788 -13.508 0.304 1.00 0.00 C ATOM 918 C ARG A 71 10.937 -14.505 -0.853 1.00 0.00 C ATOM 919 O ARG A 71 9.968 -15.017 -1.378 1.00 0.00 O ATOM 920 CB ARG A 71 11.610 -13.969 1.511 1.00 0.00 C ATOM 921 CG ARG A 71 11.420 -15.477 1.711 1.00 0.00 C ATOM 922 CD ARG A 71 12.345 -15.967 2.828 1.00 0.00 C ATOM 923 NE ARG A 71 11.779 -17.278 3.250 1.00 0.00 N ATOM 924 CZ ARG A 71 12.207 -17.856 4.339 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.488 -18.017 4.531 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.356 -18.271 5.236 1.00 0.00 N ATOM 0 H ARG A 71 8.791 -14.247 0.507 1.00 0.00 H new ATOM 0 HA ARG A 71 11.108 -12.541 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.665 -13.742 1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.297 -13.430 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.382 -15.693 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.639 -16.008 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.370 -16.076 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.369 -15.262 3.659 1.00 0.00 H new ATOM 0 HE ARG A 71 11.055 -17.725 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.154 -17.691 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.823 -18.469 5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.355 -18.144 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.691 -18.723 6.087 1.00 0.00 H new ATOM 938 N ALA A 72 12.154 -14.785 -1.241 1.00 0.00 N ATOM 939 CA ALA A 72 12.391 -15.751 -2.350 1.00 0.00 C ATOM 940 C ALA A 72 11.553 -15.381 -3.575 1.00 0.00 C ATOM 941 O ALA A 72 11.984 -14.631 -4.428 1.00 0.00 O ATOM 942 CB ALA A 72 11.965 -17.108 -1.790 1.00 0.00 C ATOM 0 H ALA A 72 12.998 -14.382 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 72 13.431 -15.754 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.109 -17.877 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.568 -17.346 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.913 -17.071 -1.507 1.00 0.00 H new ATOM 948 N GLU A 73 10.366 -15.908 -3.677 1.00 0.00 N ATOM 949 CA GLU A 73 9.518 -15.590 -4.858 1.00 0.00 C ATOM 950 C GLU A 73 8.038 -15.850 -4.554 1.00 0.00 C ATOM 951 O GLU A 73 7.258 -16.145 -5.438 1.00 0.00 O ATOM 952 CB GLU A 73 10.039 -16.527 -5.951 1.00 0.00 C ATOM 953 CG GLU A 73 9.322 -17.881 -5.887 1.00 0.00 C ATOM 954 CD GLU A 73 10.108 -18.914 -6.697 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.316 -18.770 -6.791 1.00 0.00 O ATOM 956 OE2 GLU A 73 9.489 -19.832 -7.209 1.00 0.00 O ATOM 0 H GLU A 73 9.948 -16.543 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 73 9.576 -14.542 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.885 -16.074 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.113 -16.672 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.232 -18.208 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.310 -17.788 -6.281 1.00 0.00 H new ATOM 963 N ASP A 74 7.643 -15.741 -3.315 1.00 0.00 N ATOM 964 CA ASP A 74 6.212 -15.982 -2.975 1.00 0.00 C ATOM 965 C ASP A 74 5.315 -15.212 -3.934 1.00 0.00 C ATOM 966 O ASP A 74 5.765 -14.472 -4.786 1.00 0.00 O ATOM 967 CB ASP A 74 6.053 -15.490 -1.528 1.00 0.00 C ATOM 968 CG ASP A 74 4.676 -14.857 -1.294 1.00 0.00 C ATOM 969 OD1 ASP A 74 3.758 -15.589 -0.962 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.566 -13.653 -1.452 1.00 0.00 O ATOM 0 H ASP A 74 8.245 -15.497 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 74 5.928 -17.031 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.191 -16.326 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.832 -14.761 -1.303 1.00 0.00 H new ATOM 975 N ALA A 75 4.047 -15.391 -3.784 1.00 0.00 N ATOM 976 CA ALA A 75 3.077 -14.687 -4.667 1.00 0.00 C ATOM 977 C ALA A 75 2.439 -13.513 -3.924 1.00 0.00 C ATOM 978 O ALA A 75 2.127 -13.602 -2.752 1.00 0.00 O ATOM 979 CB ALA A 75 2.020 -15.734 -5.018 1.00 0.00 C ATOM 0 H ALA A 75 3.627 -16.000 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 75 3.556 -14.279 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.268 -15.288 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.493 -16.571 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.544 -16.091 -4.105 1.00 0.00 H new ATOM 985 N LEU A 76 2.241 -12.413 -4.595 1.00 0.00 N ATOM 986 CA LEU A 76 1.620 -11.236 -3.925 1.00 0.00 C ATOM 987 C LEU A 76 1.137 -10.226 -4.961 1.00 0.00 C ATOM 988 O LEU A 76 1.693 -10.100 -6.034 1.00 0.00 O ATOM 989 CB LEU A 76 2.727 -10.622 -3.075 1.00 0.00 C ATOM 990 CG LEU A 76 2.231 -9.318 -2.450 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.281 -9.633 -1.294 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.426 -8.521 -1.924 1.00 0.00 C ATOM 0 H LEU A 76 2.482 -12.278 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 76 0.755 -11.524 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.029 -11.320 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.607 -10.431 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 76 1.703 -8.732 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.928 -8.703 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.430 -10.202 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.807 -10.219 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.075 -7.591 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.952 -9.108 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.104 -8.295 -2.747 1.00 0.00 H new ATOM 1004 N PHE A 77 0.108 -9.504 -4.635 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.429 -8.488 -5.580 1.00 0.00 C ATOM 1006 C PHE A 77 -1.230 -7.436 -4.812 1.00 0.00 C ATOM 1007 O PHE A 77 -2.176 -7.754 -4.118 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.348 -9.267 -6.517 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.571 -10.371 -7.192 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.228 -10.086 -8.305 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.652 -11.681 -6.705 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.948 -11.111 -8.931 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.068 -12.706 -7.331 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.868 -12.421 -8.444 1.00 0.00 C ATOM 0 H PHE A 77 -0.390 -9.573 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 77 0.361 -7.966 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.183 -9.687 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.772 -8.598 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.289 -9.075 -8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.270 -11.901 -5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.565 -10.891 -9.790 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.006 -13.717 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.423 -13.212 -8.927 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.858 -6.188 -4.914 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.604 -5.137 -4.178 1.00 0.00 C ATOM 1026 C PHE A 78 -2.890 -4.753 -4.912 1.00 0.00 C ATOM 1027 O PHE A 78 -2.897 -4.543 -6.109 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.660 -3.944 -4.149 1.00 0.00 C ATOM 1029 CG PHE A 78 0.574 -4.265 -3.341 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.639 -5.417 -2.550 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.650 -3.386 -3.381 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.791 -5.683 -1.795 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.799 -3.646 -2.632 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.871 -4.794 -1.834 1.00 0.00 C ATOM 0 H PHE A 78 -0.073 -5.856 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.897 -5.477 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.376 -3.673 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.169 -3.081 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.197 -6.101 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.597 -2.498 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.844 -6.572 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.633 -2.961 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.758 -4.993 -1.250 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.970 -4.623 -4.193 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.250 -4.209 -4.831 1.00 0.00 C ATOM 1046 C PHE A 79 -5.693 -2.885 -4.217 1.00 0.00 C ATOM 1047 O PHE A 79 -5.790 -2.747 -3.013 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.259 -5.305 -4.503 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.764 -6.633 -5.024 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.949 -7.443 -4.224 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -6.130 -7.059 -6.307 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.499 -8.677 -4.709 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -5.679 -8.292 -6.791 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.863 -9.102 -5.992 1.00 0.00 C ATOM 0 H PHE A 79 -4.021 -4.786 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.155 -4.077 -5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.410 -5.361 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.225 -5.067 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.668 -7.116 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.761 -6.435 -6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.870 -9.302 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.960 -8.619 -7.781 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.515 -10.054 -6.365 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.947 -1.907 -5.030 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.369 -0.584 -4.489 1.00 0.00 C ATOM 1066 C VAL A 80 -7.745 -0.199 -5.036 1.00 0.00 C ATOM 1067 O VAL A 80 -7.955 -0.143 -6.231 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.304 0.408 -4.967 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.333 1.646 -4.071 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.916 -0.237 -4.888 1.00 0.00 C ATOM 0 H VAL A 80 -5.882 -1.961 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.452 -0.596 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.512 0.689 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.577 2.356 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.317 2.111 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.126 1.355 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.164 0.475 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.705 -0.521 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.890 -1.124 -5.521 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.683 0.068 -4.170 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.045 0.451 -4.641 1.00 0.00 C ATOM 1082 C ASN A 81 -10.523 -0.520 -5.724 1.00 0.00 C ATOM 1083 O ASN A 81 -10.985 -0.116 -6.773 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.885 1.859 -5.215 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.066 2.728 -4.782 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -12.168 2.562 -5.267 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -10.882 3.657 -3.883 1.00 0.00 N ATOM 0 H ASN A 81 -8.566 0.038 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.783 0.420 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.950 2.300 -4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.833 1.815 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.663 4.243 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.957 3.797 -3.476 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.416 -1.796 -5.475 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.866 -2.799 -6.486 1.00 0.00 C ATOM 1096 C ASN A 82 -10.144 -2.583 -7.819 1.00 0.00 C ATOM 1097 O ASN A 82 -10.711 -2.769 -8.877 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.367 -2.556 -6.646 1.00 0.00 C ATOM 1099 CG ASN A 82 -13.089 -2.926 -5.349 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.568 -4.032 -5.202 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.187 -2.040 -4.395 1.00 0.00 N ATOM 0 H ASN A 82 -10.036 -2.190 -4.614 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.647 -3.820 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.552 -1.510 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.756 -3.151 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.666 -2.277 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.785 -1.111 -4.519 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.897 -2.199 -7.781 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.145 -1.981 -9.053 1.00 0.00 C ATOM 1110 C VAL A 83 -6.754 -2.614 -8.952 1.00 0.00 C ATOM 1111 O VAL A 83 -6.304 -2.970 -7.881 1.00 0.00 O ATOM 1112 CB VAL A 83 -8.028 -0.461 -9.212 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.759 -0.121 -10.678 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.329 0.216 -8.770 1.00 0.00 C ATOM 0 H VAL A 83 -8.366 -2.027 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.649 -2.434 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.207 -0.103 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.676 0.960 -10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.829 -0.592 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.580 -0.488 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.235 1.296 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.154 -0.145 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.525 -0.020 -7.724 1.00 0.00 H new ATOM 1124 N ILE A 84 -6.068 -2.742 -10.060 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.705 -3.352 -10.045 1.00 0.00 C ATOM 1126 C ILE A 84 -3.899 -2.841 -11.244 1.00 0.00 C ATOM 1127 O ILE A 84 -3.660 -3.568 -12.186 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.915 -4.865 -10.207 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -6.141 -5.345 -9.421 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.678 -5.606 -9.698 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.415 -5.033 -10.211 1.00 0.00 C ATOM 0 H ILE A 84 -6.397 -2.448 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.170 -3.104 -9.128 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.077 -5.073 -11.264 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.070 -6.417 -9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.176 -4.855 -8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.825 -6.680 -9.812 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.806 -5.296 -10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.521 -5.371 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.284 -5.375 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.488 -3.958 -10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.381 -5.544 -11.173 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.507 -1.598 -11.162 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.717 -0.974 -12.252 1.00 0.00 C ATOM 1145 C PRO A 85 -1.283 -1.512 -12.253 1.00 0.00 C ATOM 1146 O PRO A 85 -0.839 -2.101 -11.288 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.740 0.512 -11.903 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.967 0.561 -10.425 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.760 -0.667 -10.058 1.00 0.00 C ATOM 0 HA PRO A 85 -3.118 -1.182 -13.244 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.801 0.995 -12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.533 1.031 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.018 0.581 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.508 1.466 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.434 -1.082 -9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.822 -0.442 -9.962 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.607 -1.284 -13.347 1.00 0.00 N ATOM 1158 CA PRO A 86 0.796 -1.744 -13.490 1.00 0.00 C ATOM 1159 C PRO A 86 1.726 -0.888 -12.628 1.00 0.00 C ATOM 1160 O PRO A 86 1.294 0.009 -11.933 1.00 0.00 O ATOM 1161 CB PRO A 86 1.087 -1.542 -14.975 1.00 0.00 C ATOM 1162 CG PRO A 86 0.139 -0.473 -15.414 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.085 -0.581 -14.541 1.00 0.00 C ATOM 0 HA PRO A 86 0.948 -2.774 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.122 -1.242 -15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.931 -2.463 -15.537 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.596 0.512 -15.316 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.124 -0.599 -16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.486 0.402 -14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.882 -1.134 -15.038 1.00 0.00 H new ATOM 1171 N THR A 87 3.000 -1.162 -12.667 1.00 0.00 N ATOM 1172 CA THR A 87 3.957 -0.363 -11.845 1.00 0.00 C ATOM 1173 C THR A 87 4.393 0.895 -12.596 1.00 0.00 C ATOM 1174 O THR A 87 5.394 1.508 -12.282 1.00 0.00 O ATOM 1175 CB THR A 87 5.157 -1.276 -11.605 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.328 -2.142 -12.719 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.930 -2.103 -10.339 1.00 0.00 C ATOM 0 H THR A 87 3.421 -1.901 -13.230 1.00 0.00 H new ATOM 0 HA THR A 87 3.502 -0.035 -10.910 1.00 0.00 H new ATOM 0 HB THR A 87 6.053 -0.668 -11.481 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.100 -2.726 -12.564 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.788 -2.754 -10.171 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.807 -1.436 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.032 -2.710 -10.457 1.00 0.00 H new ATOM 1185 N SER A 88 3.640 1.284 -13.577 1.00 0.00 N ATOM 1186 CA SER A 88 3.986 2.508 -14.355 1.00 0.00 C ATOM 1187 C SER A 88 3.280 3.719 -13.745 1.00 0.00 C ATOM 1188 O SER A 88 2.794 4.588 -14.440 1.00 0.00 O ATOM 1189 CB SER A 88 3.471 2.240 -15.768 1.00 0.00 C ATOM 1190 OG SER A 88 3.418 0.837 -15.990 1.00 0.00 O ATOM 0 H SER A 88 2.791 0.806 -13.880 1.00 0.00 H new ATOM 0 HA SER A 88 5.055 2.720 -14.351 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.481 2.678 -15.896 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.125 2.711 -16.501 1.00 0.00 H new ATOM 0 HG SER A 88 3.086 0.661 -16.895 1.00 0.00 H new ATOM 1196 N ALA A 89 3.216 3.771 -12.444 1.00 0.00 N ATOM 1197 CA ALA A 89 2.537 4.911 -11.770 1.00 0.00 C ATOM 1198 C ALA A 89 3.247 5.248 -10.463 1.00 0.00 C ATOM 1199 O ALA A 89 4.286 4.705 -10.146 1.00 0.00 O ATOM 1200 CB ALA A 89 1.117 4.417 -11.495 1.00 0.00 C ATOM 0 H ALA A 89 3.607 3.069 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 89 2.545 5.815 -12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.548 5.203 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.632 4.160 -12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.156 3.536 -10.854 1.00 0.00 H new ATOM 1206 N THR A 90 2.692 6.148 -9.710 1.00 0.00 N ATOM 1207 CA THR A 90 3.329 6.539 -8.420 1.00 0.00 C ATOM 1208 C THR A 90 2.262 6.726 -7.339 1.00 0.00 C ATOM 1209 O THR A 90 1.173 7.198 -7.600 1.00 0.00 O ATOM 1210 CB THR A 90 4.029 7.867 -8.715 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.064 8.829 -9.116 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.051 7.669 -9.835 1.00 0.00 C ATOM 0 H THR A 90 1.822 6.634 -9.929 1.00 0.00 H new ATOM 0 HA THR A 90 4.023 5.782 -8.054 1.00 0.00 H new ATOM 0 HB THR A 90 4.540 8.216 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.510 9.681 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.549 8.616 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.791 6.930 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.543 7.320 -10.734 1.00 0.00 H new ATOM 1220 N MET A 91 2.565 6.361 -6.126 1.00 0.00 N ATOM 1221 CA MET A 91 1.562 6.523 -5.036 1.00 0.00 C ATOM 1222 C MET A 91 0.907 7.902 -5.137 1.00 0.00 C ATOM 1223 O MET A 91 -0.288 8.050 -4.971 1.00 0.00 O ATOM 1224 CB MET A 91 2.359 6.401 -3.737 1.00 0.00 C ATOM 1225 CG MET A 91 2.849 4.961 -3.572 1.00 0.00 C ATOM 1226 SD MET A 91 2.152 4.256 -2.058 1.00 0.00 S ATOM 1227 CE MET A 91 1.207 2.927 -2.842 1.00 0.00 C ATOM 0 H MET A 91 3.459 5.959 -5.842 1.00 0.00 H new ATOM 0 HA MET A 91 0.765 5.782 -5.090 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.207 7.085 -3.753 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.737 6.684 -2.888 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.552 4.364 -4.434 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.938 4.939 -3.528 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.817 2.257 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.378 3.354 -3.407 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.856 2.368 -3.516 1.00 0.00 H new ATOM 1237 N GLY A 92 1.687 8.910 -5.409 1.00 0.00 N ATOM 1238 CA GLY A 92 1.119 10.284 -5.523 1.00 0.00 C ATOM 1239 C GLY A 92 -0.081 10.282 -6.469 1.00 0.00 C ATOM 1240 O GLY A 92 -1.124 10.826 -6.166 1.00 0.00 O ATOM 0 H GLY A 92 2.694 8.843 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.815 10.643 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.881 10.971 -5.892 1.00 0.00 H new ATOM 1244 N GLN A 93 0.059 9.683 -7.618 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.078 9.660 -8.582 1.00 0.00 C ATOM 1246 C GLN A 93 -2.249 8.867 -7.992 1.00 0.00 C ATOM 1247 O GLN A 93 -3.400 9.154 -8.256 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.517 8.995 -9.853 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.823 7.491 -9.869 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.408 6.899 -11.216 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -1.031 5.978 -11.705 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.626 7.391 -11.841 1.00 0.00 N ATOM 0 H GLN A 93 0.907 9.210 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.465 10.655 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.949 9.467 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.561 9.151 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.289 6.992 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.887 7.324 -9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.149 8.164 -11.431 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.911 7.002 -12.740 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.966 7.877 -7.190 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.070 7.080 -6.585 1.00 0.00 C ATOM 1263 C LEU A 94 -3.846 7.942 -5.590 1.00 0.00 C ATOM 1264 O LEU A 94 -4.994 7.686 -5.290 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.376 5.899 -5.892 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.281 6.117 -4.375 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.569 5.631 -3.708 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.095 5.326 -3.821 1.00 0.00 C ATOM 0 H LEU A 94 -1.024 7.587 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.794 6.732 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.927 4.981 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.376 5.769 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.142 7.178 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.502 5.786 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.417 6.191 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.707 4.570 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.026 5.480 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.237 4.265 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.176 5.668 -4.296 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.224 8.959 -5.069 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.929 9.824 -4.091 1.00 0.00 C ATOM 1282 C TYR A 95 -5.284 10.254 -4.658 1.00 0.00 C ATOM 1283 O TYR A 95 -6.313 10.013 -4.072 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.007 11.028 -3.883 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.015 11.412 -2.425 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.834 10.429 -1.449 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.209 12.746 -2.051 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.845 10.778 -0.094 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.221 13.097 -0.696 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.039 12.113 0.283 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.051 12.459 1.620 1.00 0.00 O ATOM 0 H TYR A 95 -2.262 9.227 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.131 9.313 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.993 10.785 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.341 11.867 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.686 9.400 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.349 13.504 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.704 10.018 0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.371 14.127 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.196 13.424 1.707 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.302 10.878 -5.797 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.605 11.304 -6.381 1.00 0.00 C ATOM 1303 C GLN A 96 -7.418 10.088 -6.846 1.00 0.00 C ATOM 1304 O GLN A 96 -8.597 10.188 -7.118 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.231 12.182 -7.575 1.00 0.00 C ATOM 1306 CG GLN A 96 -5.911 13.596 -7.088 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.071 14.531 -7.435 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.692 14.389 -8.469 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.393 15.487 -6.608 1.00 0.00 N ATOM 0 H GLN A 96 -4.477 11.112 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.223 11.832 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.370 11.761 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.052 12.210 -8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.743 13.592 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.991 13.952 -7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.872 15.607 -5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.166 16.115 -6.830 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.788 8.952 -6.978 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.519 7.747 -7.474 1.00 0.00 C ATOM 1320 C GLU A 97 -8.187 6.929 -6.352 1.00 0.00 C ATOM 1321 O GLU A 97 -9.398 6.868 -6.266 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.456 6.913 -8.187 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.473 7.240 -9.681 1.00 0.00 C ATOM 1324 CD GLU A 97 -6.847 5.988 -10.475 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -6.003 5.116 -10.601 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -7.972 5.922 -10.945 1.00 0.00 O ATOM 0 H GLU A 97 -5.801 8.805 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.342 8.043 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.472 7.123 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.648 5.851 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.189 8.037 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.495 7.604 -9.995 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.423 6.245 -5.535 1.00 0.00 N ATOM 1334 CA HIS A 98 -8.040 5.382 -4.489 1.00 0.00 C ATOM 1335 C HIS A 98 -8.041 6.027 -3.097 1.00 0.00 C ATOM 1336 O HIS A 98 -7.855 5.358 -2.095 1.00 0.00 O ATOM 1337 CB HIS A 98 -7.159 4.144 -4.507 1.00 0.00 C ATOM 1338 CG HIS A 98 -7.239 3.505 -5.863 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -6.320 2.804 -6.592 1.00 0.00 N flip ATOM 1340 CD2 HIS A 98 -8.388 3.549 -6.638 1.00 0.00 C flip ATOM 1341 CE1 HIS A 98 -6.880 2.414 -7.806 1.00 0.00 C flip ATOM 1342 NE2 HIS A 98 -8.128 2.889 -7.782 1.00 0.00 N flip ATOM 0 H HIS A 98 -6.403 6.249 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.092 5.186 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.128 4.413 -4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.483 3.441 -3.740 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -5.367 2.597 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.320 4.025 -6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.407 1.849 -8.596 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.271 7.306 -3.016 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.309 7.966 -1.674 1.00 0.00 C ATOM 1352 C HIS A 99 -9.753 8.009 -1.142 1.00 0.00 C ATOM 1353 O HIS A 99 -10.689 7.671 -1.838 1.00 0.00 O ATOM 1354 CB HIS A 99 -7.753 9.379 -1.889 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.575 10.141 -2.901 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -9.658 9.586 -3.571 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -8.475 11.430 -3.365 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -10.157 10.532 -4.387 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -9.474 11.674 -4.301 1.00 0.00 N ATOM 0 H HIS A 99 -8.434 7.923 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.721 7.423 -0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.747 9.918 -0.942 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.719 9.318 -2.228 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.010 8.635 -3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.731 12.147 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.009 10.384 -5.034 1.00 0.00 H new ATOM 1429 N PHE A 104 -7.141 7.962 4.817 1.00 0.00 N ATOM 1430 CA PHE A 104 -6.306 8.418 3.668 1.00 0.00 C ATOM 1431 C PHE A 104 -6.586 7.528 2.449 1.00 0.00 C ATOM 1432 O PHE A 104 -7.723 7.349 2.060 1.00 0.00 O ATOM 1433 CB PHE A 104 -4.865 8.263 4.144 1.00 0.00 C ATOM 1434 CG PHE A 104 -4.710 8.894 5.507 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -5.101 10.222 5.713 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -4.173 8.151 6.565 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.956 10.807 6.977 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -4.029 8.735 7.829 1.00 0.00 C ATOM 1439 CZ PHE A 104 -4.420 10.063 8.034 1.00 0.00 C ATOM 0 HA PHE A 104 -6.517 9.445 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.598 7.207 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.185 8.734 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.515 10.796 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.870 7.127 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.258 11.832 7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.616 8.161 8.646 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.308 10.514 9.009 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.575 6.951 1.850 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.840 6.063 0.676 1.00 0.00 C ATOM 1451 C LEU A 105 -5.900 4.607 1.159 1.00 0.00 C ATOM 1452 O LEU A 105 -5.520 4.310 2.274 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.686 6.317 -0.318 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.614 5.231 -0.202 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -3.935 4.102 -1.179 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.247 5.828 -0.547 1.00 0.00 C ATOM 0 H LEU A 105 -4.595 7.053 2.116 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.792 6.267 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.076 6.341 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.242 7.293 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.595 4.841 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.174 3.325 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.911 3.680 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.950 4.494 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.482 5.056 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.265 6.214 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.019 6.639 0.144 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.393 3.697 0.360 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.483 2.282 0.839 1.00 0.00 C ATOM 1470 C TYR A 106 -5.748 1.316 -0.105 1.00 0.00 C ATOM 1471 O TYR A 106 -6.031 1.244 -1.283 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.993 1.990 0.883 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.263 0.527 0.605 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.246 0.055 -0.712 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.528 -0.352 1.661 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.494 -1.298 -0.974 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -8.776 -1.705 1.400 1.00 0.00 C ATOM 1478 CZ TYR A 106 -8.759 -2.177 0.082 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.003 -3.510 -0.176 1.00 0.00 O ATOM 0 H TYR A 106 -6.732 3.865 -0.587 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.007 2.145 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.392 2.259 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.509 2.607 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.042 0.734 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.541 0.013 2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.481 -1.663 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.980 -2.384 2.215 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.167 -3.982 0.667 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.821 0.555 0.423 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.080 -0.430 -0.420 1.00 0.00 C ATOM 1491 C ILE A 107 -3.846 -1.717 0.383 1.00 0.00 C ATOM 1492 O ILE A 107 -3.430 -1.676 1.523 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.749 0.250 -0.762 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.952 1.185 -1.952 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -1.703 -0.808 -1.129 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.678 1.999 -2.187 1.00 0.00 C ATOM 0 H ILE A 107 -4.546 0.575 1.405 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.627 -0.706 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.403 0.817 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.197 0.608 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.793 1.853 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.760 -0.318 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.556 -1.482 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.048 -1.377 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.824 2.666 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.453 2.588 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.848 1.324 -2.394 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.108 -2.855 -0.198 1.00 0.00 N ATOM 1509 CA ALA A 108 -3.895 -4.133 0.546 1.00 0.00 C ATOM 1510 C ALA A 108 -3.150 -5.137 -0.329 1.00 0.00 C ATOM 1511 O ALA A 108 -2.845 -4.867 -1.470 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.299 -4.641 0.874 1.00 0.00 C ATOM 0 H ALA A 108 -4.459 -2.958 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.294 -3.992 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.227 -5.580 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.820 -3.903 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.853 -4.802 -0.051 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.853 -6.297 0.193 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.126 -7.305 -0.634 1.00 0.00 C ATOM 1520 C TYR A 109 -2.771 -8.684 -0.502 1.00 0.00 C ATOM 1521 O TYR A 109 -3.397 -9.001 0.489 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.669 -7.352 -0.134 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.526 -6.823 1.278 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.773 -5.473 1.559 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.118 -7.685 2.304 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.614 -4.989 2.862 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.038 -7.200 3.605 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.210 -5.852 3.885 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.051 -5.374 5.170 1.00 0.00 O ATOM 0 H TYR A 109 -3.079 -6.589 1.144 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.166 -7.024 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.307 -8.380 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.039 -6.767 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.086 -4.806 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.076 -8.725 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.804 -3.948 3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.350 -7.866 4.395 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.927 -5.141 5.543 1.00 0.00 H new ATOM 1539 N SER A 110 -2.612 -9.505 -1.504 1.00 0.00 N ATOM 1540 CA SER A 110 -3.205 -10.872 -1.456 1.00 0.00 C ATOM 1541 C SER A 110 -2.286 -11.870 -2.166 1.00 0.00 C ATOM 1542 O SER A 110 -1.302 -11.497 -2.776 1.00 0.00 O ATOM 1543 CB SER A 110 -4.535 -10.755 -2.198 1.00 0.00 C ATOM 1544 OG SER A 110 -5.454 -11.700 -1.664 1.00 0.00 O ATOM 0 H SER A 110 -2.096 -9.287 -2.356 1.00 0.00 H new ATOM 0 HA SER A 110 -3.337 -11.228 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.934 -9.745 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.388 -10.935 -3.263 1.00 0.00 H new ATOM 0 HG SER A 110 -6.310 -11.627 -2.136 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.601 -13.135 -2.092 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.749 -14.158 -2.765 1.00 0.00 C ATOM 1552 C ASP A 111 -2.596 -14.991 -3.730 1.00 0.00 C ATOM 1553 O ASP A 111 -2.324 -16.151 -3.968 1.00 0.00 O ATOM 1554 CB ASP A 111 -1.207 -15.033 -1.634 1.00 0.00 C ATOM 1555 CG ASP A 111 -2.373 -15.575 -0.803 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.985 -16.538 -1.235 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -2.633 -15.017 0.250 1.00 0.00 O ATOM 0 H ASP A 111 -3.411 -13.505 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.946 -13.709 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.625 -15.858 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.535 -14.453 -1.002 1.00 0.00 H new