USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 728 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 20 GLN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -140:sc= -0.714 USER MOD Single : A 47 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.7!) USER MOD Single : A 49 THR OG1 : rot -68:sc= 1.11 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -50:sc= -7.36! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.34! K(o=-2.3!,f=0.23) USER MOD Single : A 57 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.55) USER MOD Single : A 66 SER OG : rot 45:sc= 0.147 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0105 (180deg=-0.82) USER MOD Single : A 73 GLN : amide:sc= -4.71 K(o=-4.7,f=-10!) USER MOD Single : A 77 ASN : amide:sc= -0.24! K(o=-0.24!,f=-0.92) USER MOD Single : A 79 SER OG : rot 64:sc= 0.0898 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.134 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -156:sc= 1.03 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.075 -5.908 -2.806 1.00 0.00 N ATOM 204 CA LEU A 17 -3.773 -5.401 -2.405 1.00 0.00 C ATOM 205 C LEU A 17 -3.866 -4.840 -0.985 1.00 0.00 C ATOM 206 O LEU A 17 -4.940 -4.437 -0.541 1.00 0.00 O ATOM 207 CB LEU A 17 -3.251 -4.393 -3.432 1.00 0.00 C ATOM 208 CG LEU A 17 -3.041 -4.928 -4.850 1.00 0.00 C ATOM 209 CD1 LEU A 17 -3.727 -4.030 -5.881 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.553 -5.114 -5.151 1.00 0.00 C ATOM 0 HA LEU A 17 -3.040 -6.207 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.950 -3.558 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.303 -3.995 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.508 -5.911 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.563 -4.432 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.797 -3.993 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.311 -3.024 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.432 -5.495 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.041 -4.156 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.124 -5.823 -4.443 1.00 0.00 H new ATOM 222 N TRP A 18 -2.725 -4.831 -0.311 1.00 0.00 N ATOM 223 CA TRP A 18 -2.663 -4.326 1.050 1.00 0.00 C ATOM 224 C TRP A 18 -1.198 -4.040 1.382 1.00 0.00 C ATOM 225 O TRP A 18 -0.296 -4.552 0.721 1.00 0.00 O ATOM 226 CB TRP A 18 -3.318 -5.305 2.028 1.00 0.00 C ATOM 227 CG TRP A 18 -2.835 -6.749 1.880 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.315 -7.700 1.067 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.751 -7.371 2.601 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.623 -8.885 1.212 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.642 -8.679 2.174 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.891 -6.847 3.583 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.685 -9.571 2.673 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.059 -7.751 4.071 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.182 -9.070 3.651 1.00 0.00 C ATOM 0 H TRP A 18 -1.836 -5.166 -0.682 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.228 -3.399 1.144 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.123 -4.970 3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.398 -5.278 1.885 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.140 -7.557 0.384 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.799 -9.753 0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.959 -5.827 3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.619 -10.590 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.745 -7.399 4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.944 -9.706 4.078 1.00 0.00 H new ATOM 246 N LEU A 19 -1.005 -3.222 2.407 1.00 0.00 N ATOM 247 CA LEU A 19 0.336 -2.861 2.835 1.00 0.00 C ATOM 248 C LEU A 19 0.742 -3.739 4.019 1.00 0.00 C ATOM 249 O LEU A 19 -0.074 -4.022 4.896 1.00 0.00 O ATOM 250 CB LEU A 19 0.420 -1.361 3.124 1.00 0.00 C ATOM 251 CG LEU A 19 -0.164 -0.437 2.053 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.110 -0.983 0.650 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.655 -0.194 2.292 1.00 0.00 C ATOM 0 H LEU A 19 -1.755 -2.799 2.953 1.00 0.00 H new ATOM 0 HA LEU A 19 1.055 -3.049 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.093 -1.163 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.467 -1.098 3.271 1.00 0.00 H new ATOM 0 HG LEU A 19 0.335 0.529 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.315 -0.308 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.186 -1.062 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.345 -1.968 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.045 0.466 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.188 -1.144 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.796 0.270 3.268 1.00 0.00 H new ATOM 265 N GLN A 20 2.002 -4.147 4.008 1.00 0.00 N ATOM 266 CA GLN A 20 2.527 -4.988 5.071 1.00 0.00 C ATOM 267 C GLN A 20 3.487 -4.189 5.954 1.00 0.00 C ATOM 268 O GLN A 20 4.665 -4.050 5.629 1.00 0.00 O ATOM 269 CB GLN A 20 3.212 -6.230 4.499 1.00 0.00 C ATOM 270 CG GLN A 20 3.801 -7.094 5.616 1.00 0.00 C ATOM 271 CD GLN A 20 4.440 -8.364 5.049 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.340 -8.322 4.227 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.925 -9.491 5.532 1.00 0.00 N ATOM 0 H GLN A 20 2.676 -3.911 3.279 1.00 0.00 H new ATOM 0 HA GLN A 20 1.693 -5.325 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.493 -6.814 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.003 -5.930 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.547 -6.522 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.017 -7.362 6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.172 -9.454 6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.283 -10.392 5.215 1.00 0.00 H new ATOM 349 N PRO A 27 -1.367 -3.319 11.929 1.00 0.00 N ATOM 350 CA PRO A 27 -1.713 -4.479 11.125 1.00 0.00 C ATOM 351 C PRO A 27 -1.754 -4.123 9.638 1.00 0.00 C ATOM 352 O PRO A 27 -1.623 -2.956 9.272 1.00 0.00 O ATOM 353 CB PRO A 27 -3.056 -4.944 11.663 1.00 0.00 C ATOM 354 CG PRO A 27 -3.631 -3.763 12.428 1.00 0.00 C ATOM 355 CD PRO A 27 -2.511 -2.757 12.640 1.00 0.00 C ATOM 0 HA PRO A 27 -0.973 -5.276 11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.719 -5.244 10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.937 -5.810 12.314 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.451 -3.310 11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.038 -4.089 13.385 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.779 -1.777 12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.293 -2.625 13.700 1.00 0.00 H new ATOM 363 N PRO A 28 -1.943 -5.177 8.800 1.00 0.00 N ATOM 364 CA PRO A 28 -2.003 -4.987 7.360 1.00 0.00 C ATOM 365 C PRO A 28 -3.341 -4.372 6.944 1.00 0.00 C ATOM 366 O PRO A 28 -4.393 -4.982 7.131 1.00 0.00 O ATOM 367 CB PRO A 28 -1.776 -6.369 6.771 1.00 0.00 C ATOM 368 CG PRO A 28 -2.059 -7.353 7.895 1.00 0.00 C ATOM 369 CD PRO A 28 -2.102 -6.573 9.198 1.00 0.00 C ATOM 0 HA PRO A 28 -1.252 -4.286 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.437 -6.545 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.754 -6.475 6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.006 -7.864 7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.285 -8.120 7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.044 -6.730 9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.305 -6.886 9.873 1.00 0.00 H new ATOM 377 N ILE A 29 -3.258 -3.173 6.388 1.00 0.00 N ATOM 378 CA ILE A 29 -4.449 -2.469 5.944 1.00 0.00 C ATOM 379 C ILE A 29 -4.753 -2.853 4.495 1.00 0.00 C ATOM 380 O ILE A 29 -3.841 -2.989 3.681 1.00 0.00 O ATOM 381 CB ILE A 29 -4.293 -0.962 6.161 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.101 -0.639 7.644 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.471 -0.196 5.555 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.681 -0.140 7.917 1.00 0.00 C ATOM 0 H ILE A 29 -2.384 -2.670 6.235 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.311 -2.766 6.541 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.393 -0.633 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.822 0.119 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.299 -1.528 8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.335 0.872 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.520 -0.391 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.398 -0.523 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.571 0.082 8.978 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.964 -0.909 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.495 0.763 7.336 1.00 0.00 H new ATOM 396 N PHE A 30 -6.038 -3.018 4.217 1.00 0.00 N ATOM 397 CA PHE A 30 -6.473 -3.385 2.880 1.00 0.00 C ATOM 398 C PHE A 30 -7.139 -2.200 2.177 1.00 0.00 C ATOM 399 O PHE A 30 -8.104 -1.633 2.688 1.00 0.00 O ATOM 400 CB PHE A 30 -7.496 -4.511 3.036 1.00 0.00 C ATOM 401 CG PHE A 30 -6.873 -5.893 3.247 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.333 -6.218 4.453 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.859 -6.795 2.230 1.00 0.00 C ATOM 404 CE1 PHE A 30 -5.755 -7.500 4.649 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.280 -8.077 2.426 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.740 -8.402 3.632 1.00 0.00 C ATOM 0 H PHE A 30 -6.792 -2.904 4.895 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.616 -3.694 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.145 -4.284 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.127 -4.540 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.344 -5.501 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.288 -6.537 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.327 -7.759 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.268 -8.794 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.299 -9.377 3.781 1.00 0.00 H new ATOM 416 N LEU A 31 -6.599 -1.862 1.015 1.00 0.00 N ATOM 417 CA LEU A 31 -7.129 -0.756 0.237 1.00 0.00 C ATOM 418 C LEU A 31 -8.402 -1.208 -0.482 1.00 0.00 C ATOM 419 O LEU A 31 -8.664 -2.404 -0.595 1.00 0.00 O ATOM 420 CB LEU A 31 -6.057 -0.199 -0.702 1.00 0.00 C ATOM 421 CG LEU A 31 -4.610 -0.337 -0.224 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.650 0.392 -1.166 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.463 0.137 1.223 1.00 0.00 C ATOM 0 H LEU A 31 -5.800 -2.335 0.594 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.408 0.071 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.150 -0.700 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.264 0.858 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.342 -1.393 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.628 0.278 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.729 -0.033 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.907 1.451 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.425 0.028 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.756 1.184 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.103 -0.464 1.869 1.00 0.00 H new ATOM 435 N PRO A 32 -9.179 -0.200 -0.963 1.00 0.00 N ATOM 436 CA PRO A 32 -10.417 -0.482 -1.668 1.00 0.00 C ATOM 437 C PRO A 32 -10.139 -0.990 -3.084 1.00 0.00 C ATOM 438 O PRO A 32 -9.150 -0.600 -3.704 1.00 0.00 O ATOM 439 CB PRO A 32 -11.188 0.828 -1.648 1.00 0.00 C ATOM 440 CG PRO A 32 -10.164 1.909 -1.345 1.00 0.00 C ATOM 441 CD PRO A 32 -8.899 1.228 -0.849 1.00 0.00 C ATOM 0 HA PRO A 32 -10.996 -1.277 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.675 1.009 -2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.971 0.809 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.955 2.498 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.547 2.597 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.035 1.511 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.677 1.507 0.181 1.00 0.00 H new ATOM 449 N SER A 33 -11.028 -1.852 -3.555 1.00 0.00 N ATOM 450 CA SER A 33 -10.890 -2.417 -4.887 1.00 0.00 C ATOM 451 C SER A 33 -11.677 -1.578 -5.895 1.00 0.00 C ATOM 452 O SER A 33 -11.256 -1.420 -7.040 1.00 0.00 O ATOM 453 CB SER A 33 -11.366 -3.871 -4.920 1.00 0.00 C ATOM 454 OG SER A 33 -12.629 -4.034 -4.280 1.00 0.00 O ATOM 0 H SER A 33 -11.847 -2.173 -3.038 1.00 0.00 H new ATOM 0 HA SER A 33 -9.834 -2.402 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.438 -4.205 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.627 -4.506 -4.431 1.00 0.00 H new ATOM 0 HG SER A 33 -12.899 -4.975 -4.324 1.00 0.00 H new ATOM 460 N ASP A 34 -12.806 -1.060 -5.434 1.00 0.00 N ATOM 461 CA ASP A 34 -13.656 -0.241 -6.281 1.00 0.00 C ATOM 462 C ASP A 34 -12.788 0.749 -7.061 1.00 0.00 C ATOM 463 O ASP A 34 -13.108 1.100 -8.196 1.00 0.00 O ATOM 464 CB ASP A 34 -14.656 0.562 -5.447 1.00 0.00 C ATOM 465 CG ASP A 34 -16.127 0.312 -5.784 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.540 -0.863 -5.683 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.805 1.302 -6.133 1.00 0.00 O ATOM 0 H ASP A 34 -13.152 -1.192 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.199 -0.904 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.496 0.331 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.445 1.623 -5.576 1.00 0.00 H new ATOM 472 N GLY A 35 -11.707 1.170 -6.422 1.00 0.00 N ATOM 473 CA GLY A 35 -10.791 2.113 -7.041 1.00 0.00 C ATOM 474 C GLY A 35 -10.526 3.306 -6.121 1.00 0.00 C ATOM 475 O GLY A 35 -9.741 4.191 -6.457 1.00 0.00 O ATOM 0 H GLY A 35 -11.445 0.875 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.851 1.613 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.208 2.463 -7.985 1.00 0.00 H new ATOM 479 N GLN A 36 -11.197 3.291 -4.978 1.00 0.00 N ATOM 480 CA GLN A 36 -11.044 4.361 -4.007 1.00 0.00 C ATOM 481 C GLN A 36 -9.564 4.574 -3.681 1.00 0.00 C ATOM 482 O GLN A 36 -8.711 3.801 -4.115 1.00 0.00 O ATOM 483 CB GLN A 36 -11.849 4.070 -2.739 1.00 0.00 C ATOM 484 CG GLN A 36 -13.232 4.720 -2.807 1.00 0.00 C ATOM 485 CD GLN A 36 -14.073 4.348 -1.584 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.069 5.022 -0.567 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.792 3.240 -1.739 1.00 0.00 N ATOM 0 H GLN A 36 -11.847 2.555 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.436 5.280 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.955 2.993 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.310 4.443 -1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.126 5.803 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.743 4.401 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.749 2.723 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.386 2.907 -0.980 1.00 0.00 H new ATOM 496 N ALA A 37 -9.305 5.626 -2.918 1.00 0.00 N ATOM 497 CA ALA A 37 -7.943 5.950 -2.528 1.00 0.00 C ATOM 498 C ALA A 37 -7.858 6.022 -1.002 1.00 0.00 C ATOM 499 O ALA A 37 -8.601 6.770 -0.369 1.00 0.00 O ATOM 500 CB ALA A 37 -7.518 7.258 -3.198 1.00 0.00 C ATOM 0 H ALA A 37 -10.015 6.265 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.253 5.174 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.497 7.501 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.568 7.145 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.186 8.061 -2.885 1.00 0.00 H new ATOM 506 N LEU A 38 -6.944 5.233 -0.455 1.00 0.00 N ATOM 507 CA LEU A 38 -6.752 5.198 0.985 1.00 0.00 C ATOM 508 C LEU A 38 -5.580 6.107 1.361 1.00 0.00 C ATOM 509 O LEU A 38 -4.423 5.766 1.121 1.00 0.00 O ATOM 510 CB LEU A 38 -6.590 3.756 1.469 1.00 0.00 C ATOM 511 CG LEU A 38 -7.170 3.443 2.850 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.615 3.932 2.963 1.00 0.00 C ATOM 513 CD2 LEU A 38 -7.042 1.953 3.174 1.00 0.00 C ATOM 0 H LEU A 38 -6.329 4.614 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.634 5.585 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.060 3.094 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.527 3.515 1.480 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.588 3.986 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.002 3.697 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.647 5.010 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.226 3.438 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.462 1.758 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.583 1.371 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.990 1.668 3.164 1.00 0.00 H new ATOM 525 N VAL A 39 -5.920 7.247 1.945 1.00 0.00 N ATOM 526 CA VAL A 39 -4.911 8.207 2.357 1.00 0.00 C ATOM 527 C VAL A 39 -4.151 7.657 3.565 1.00 0.00 C ATOM 528 O VAL A 39 -4.760 7.174 4.518 1.00 0.00 O ATOM 529 CB VAL A 39 -5.561 9.566 2.628 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.840 10.302 3.759 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.602 10.417 1.357 1.00 0.00 C ATOM 0 H VAL A 39 -6.881 7.527 2.142 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.184 8.362 1.559 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.589 9.389 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.321 11.265 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.886 9.705 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.798 10.462 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.069 11.377 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.587 10.581 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.180 9.900 0.591 1.00 0.00 H new ATOM 541 N LEU A 40 -2.832 7.747 3.485 1.00 0.00 N ATOM 542 CA LEU A 40 -1.982 7.263 4.561 1.00 0.00 C ATOM 543 C LEU A 40 -1.141 8.421 5.100 1.00 0.00 C ATOM 544 O LEU A 40 -0.876 9.387 4.385 1.00 0.00 O ATOM 545 CB LEU A 40 -1.153 6.067 4.091 1.00 0.00 C ATOM 546 CG LEU A 40 -1.897 4.734 3.986 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.920 3.575 3.783 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.804 4.515 5.198 1.00 0.00 C ATOM 0 H LEU A 40 -2.330 8.148 2.692 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.587 6.896 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.732 6.303 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.315 5.940 4.776 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.540 4.770 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.475 2.640 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.354 3.732 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.233 3.526 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.321 3.561 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.202 4.508 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.537 5.320 5.254 1.00 0.00 H new ATOM 560 N GLY A 41 -0.744 8.287 6.357 1.00 0.00 N ATOM 561 CA GLY A 41 0.062 9.310 7.001 1.00 0.00 C ATOM 562 C GLY A 41 0.025 9.161 8.523 1.00 0.00 C ATOM 563 O GLY A 41 0.013 8.045 9.040 1.00 0.00 O ATOM 0 H GLY A 41 -0.966 7.485 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.092 9.241 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.305 10.297 6.720 1.00 0.00 H new ATOM 567 N ARG A 42 0.009 10.301 9.197 1.00 0.00 N ATOM 568 CA ARG A 42 -0.026 10.311 10.650 1.00 0.00 C ATOM 569 C ARG A 42 -1.346 9.722 11.153 1.00 0.00 C ATOM 570 O ARG A 42 -2.401 9.966 10.569 1.00 0.00 O ATOM 571 CB ARG A 42 0.131 11.732 11.195 1.00 0.00 C ATOM 572 CG ARG A 42 1.512 11.930 11.821 1.00 0.00 C ATOM 573 CD ARG A 42 1.518 13.129 12.771 1.00 0.00 C ATOM 574 NE ARG A 42 0.591 12.886 13.899 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.691 13.275 13.915 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.206 13.929 12.865 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.458 13.011 14.982 1.00 0.00 N ATOM 0 H ARG A 42 0.020 11.225 8.764 1.00 0.00 H new ATOM 0 HA ARG A 42 0.806 9.704 11.006 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.014 12.452 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.641 11.927 11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.801 11.030 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.253 12.080 11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.526 13.299 13.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.222 14.030 12.234 1.00 0.00 H new ATOM 0 HE ARG A 42 0.951 12.391 14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.622 14.131 12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.182 14.225 12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.066 12.514 15.782 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.434 13.307 14.994 1.00 0.00 H new ATOM 591 N GLY A 43 -1.244 8.958 12.230 1.00 0.00 N ATOM 592 CA GLY A 43 -2.416 8.332 12.818 1.00 0.00 C ATOM 593 C GLY A 43 -2.167 6.847 13.090 1.00 0.00 C ATOM 594 O GLY A 43 -1.038 6.372 12.972 1.00 0.00 O ATOM 0 H GLY A 43 -0.367 8.758 12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.674 8.837 13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.268 8.445 12.147 1.00 0.00 H new ATOM 598 N PRO A 44 -3.267 6.138 13.458 1.00 0.00 N ATOM 599 CA PRO A 44 -3.179 4.717 13.748 1.00 0.00 C ATOM 600 C PRO A 44 -3.042 3.902 12.460 1.00 0.00 C ATOM 601 O PRO A 44 -2.922 2.679 12.505 1.00 0.00 O ATOM 602 CB PRO A 44 -4.446 4.394 14.523 1.00 0.00 C ATOM 603 CG PRO A 44 -5.410 5.534 14.239 1.00 0.00 C ATOM 604 CD PRO A 44 -4.619 6.668 13.608 1.00 0.00 C ATOM 0 HA PRO A 44 -2.295 4.461 14.332 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.866 3.439 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.241 4.313 15.590 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.204 5.204 13.569 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.888 5.868 15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.040 6.957 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.628 7.557 14.239 1.00 0.00 H new ATOM 612 N LEU A 45 -3.065 4.614 11.342 1.00 0.00 N ATOM 613 CA LEU A 45 -2.945 3.972 10.044 1.00 0.00 C ATOM 614 C LEU A 45 -1.621 3.210 9.977 1.00 0.00 C ATOM 615 O LEU A 45 -1.610 1.989 9.826 1.00 0.00 O ATOM 616 CB LEU A 45 -3.123 4.996 8.922 1.00 0.00 C ATOM 617 CG LEU A 45 -4.555 5.205 8.425 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.089 3.943 7.746 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.466 5.676 9.560 1.00 0.00 C ATOM 0 H LEU A 45 -3.165 5.629 11.309 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.741 3.240 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.736 5.955 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.507 4.690 8.076 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.544 5.994 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.108 4.118 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.457 3.693 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.083 3.117 8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.478 5.817 9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.477 4.927 10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.093 6.620 9.958 1.00 0.00 H new ATOM 631 N THR A 46 -0.536 3.961 10.093 1.00 0.00 N ATOM 632 CA THR A 46 0.792 3.371 10.047 1.00 0.00 C ATOM 633 C THR A 46 1.537 3.633 11.358 1.00 0.00 C ATOM 634 O THR A 46 2.746 3.425 11.441 1.00 0.00 O ATOM 635 CB THR A 46 1.513 3.925 8.817 1.00 0.00 C ATOM 636 OG1 THR A 46 1.638 5.319 9.086 1.00 0.00 O ATOM 637 CG2 THR A 46 0.649 3.865 7.555 1.00 0.00 C ATOM 0 H THR A 46 -0.549 4.973 10.219 1.00 0.00 H new ATOM 0 HA THR A 46 0.740 2.287 9.950 1.00 0.00 H new ATOM 0 HB THR A 46 2.434 3.365 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.473 5.827 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.208 4.270 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.379 2.829 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.257 4.453 7.706 1.00 0.00 H new ATOM 645 N GLN A 47 0.784 4.086 12.349 1.00 0.00 N ATOM 646 CA GLN A 47 1.358 4.379 13.652 1.00 0.00 C ATOM 647 C GLN A 47 2.340 5.547 13.548 1.00 0.00 C ATOM 648 O GLN A 47 3.088 5.818 14.486 1.00 0.00 O ATOM 649 CB GLN A 47 2.037 3.141 14.242 1.00 0.00 C ATOM 650 CG GLN A 47 1.001 2.130 14.736 1.00 0.00 C ATOM 651 CD GLN A 47 1.014 2.034 16.263 1.00 0.00 C ATOM 652 OE1 GLN A 47 2.015 2.273 16.918 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.152 1.673 16.792 1.00 0.00 N ATOM 0 H GLN A 47 -0.219 4.258 12.276 1.00 0.00 H new ATOM 0 HA GLN A 47 0.552 4.667 14.327 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.673 2.677 13.488 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.685 3.436 15.067 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.009 2.425 14.395 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.209 1.151 14.305 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.951 1.487 16.186 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.247 1.582 17.803 1.00 0.00 H new ATOM 662 N VAL A 48 2.306 6.208 12.400 1.00 0.00 N ATOM 663 CA VAL A 48 3.184 7.341 12.163 1.00 0.00 C ATOM 664 C VAL A 48 2.696 8.539 12.980 1.00 0.00 C ATOM 665 O VAL A 48 1.531 8.923 12.890 1.00 0.00 O ATOM 666 CB VAL A 48 3.265 7.634 10.663 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.777 9.053 10.409 1.00 0.00 C ATOM 668 CG2 VAL A 48 4.139 6.600 9.949 1.00 0.00 C ATOM 0 H VAL A 48 1.684 5.980 11.624 1.00 0.00 H new ATOM 0 HA VAL A 48 4.198 7.114 12.493 1.00 0.00 H new ATOM 0 HB VAL A 48 2.258 7.562 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.825 9.236 9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.100 9.772 10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.772 9.164 10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.180 6.831 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.146 6.626 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.714 5.606 10.088 1.00 0.00 H new ATOM 678 N THR A 49 3.612 9.096 13.759 1.00 0.00 N ATOM 679 CA THR A 49 3.290 10.242 14.591 1.00 0.00 C ATOM 680 C THR A 49 4.361 11.325 14.446 1.00 0.00 C ATOM 681 O THR A 49 4.729 11.975 15.423 1.00 0.00 O ATOM 682 CB THR A 49 3.117 9.748 16.029 1.00 0.00 C ATOM 683 OG1 THR A 49 3.113 10.942 16.808 1.00 0.00 O ATOM 684 CG2 THR A 49 4.338 8.977 16.535 1.00 0.00 C ATOM 0 H THR A 49 4.577 8.774 13.831 1.00 0.00 H new ATOM 0 HA THR A 49 2.356 10.709 14.277 1.00 0.00 H new ATOM 0 HB THR A 49 2.235 9.110 16.090 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.005 11.347 16.791 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.162 8.649 17.560 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.508 8.107 15.900 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.215 9.624 16.506 1.00 0.00 H new ATOM 692 N ASP A 50 4.831 11.486 13.217 1.00 0.00 N ATOM 693 CA ASP A 50 5.852 12.479 12.931 1.00 0.00 C ATOM 694 C ASP A 50 5.205 13.690 12.256 1.00 0.00 C ATOM 695 O ASP A 50 4.443 13.540 11.302 1.00 0.00 O ATOM 696 CB ASP A 50 6.913 11.919 11.981 1.00 0.00 C ATOM 697 CG ASP A 50 8.312 12.514 12.152 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.510 13.648 11.664 1.00 0.00 O ATOM 699 OD2 ASP A 50 9.153 11.822 12.766 1.00 0.00 O ATOM 0 H ASP A 50 4.523 10.945 12.409 1.00 0.00 H new ATOM 0 HA ASP A 50 6.323 12.760 13.873 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.973 10.840 12.123 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.586 12.087 10.955 1.00 0.00 H new ATOM 704 N ARG A 51 5.532 14.863 12.778 1.00 0.00 N ATOM 705 CA ARG A 51 4.992 16.099 12.238 1.00 0.00 C ATOM 706 C ARG A 51 5.290 16.199 10.741 1.00 0.00 C ATOM 707 O ARG A 51 4.439 16.628 9.963 1.00 0.00 O ATOM 708 CB ARG A 51 5.584 17.316 12.951 1.00 0.00 C ATOM 709 CG ARG A 51 5.232 17.305 14.440 1.00 0.00 C ATOM 710 CD ARG A 51 5.729 18.577 15.131 1.00 0.00 C ATOM 711 NE ARG A 51 6.774 18.238 16.123 1.00 0.00 N ATOM 712 CZ ARG A 51 8.075 18.114 15.830 1.00 0.00 C ATOM 713 NH1 ARG A 51 8.500 18.299 14.572 1.00 0.00 N ATOM 714 NH2 ARG A 51 8.953 17.804 16.794 1.00 0.00 N ATOM 0 H ARG A 51 6.164 14.984 13.569 1.00 0.00 H new ATOM 0 HA ARG A 51 3.914 16.087 12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.667 17.321 12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.207 18.230 12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.152 17.219 14.561 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.677 16.431 14.916 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.129 19.270 14.391 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.898 19.082 15.624 1.00 0.00 H new ATOM 0 HE ARG A 51 6.485 18.090 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.832 18.534 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.491 18.204 14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.630 17.662 17.751 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.944 17.710 16.570 1.00 0.00 H new ATOM 728 N LYS A 52 6.500 15.795 10.382 1.00 0.00 N ATOM 729 CA LYS A 52 6.920 15.833 8.992 1.00 0.00 C ATOM 730 C LYS A 52 5.878 15.120 8.129 1.00 0.00 C ATOM 731 O LYS A 52 5.682 15.472 6.967 1.00 0.00 O ATOM 732 CB LYS A 52 8.334 15.267 8.844 1.00 0.00 C ATOM 733 CG LYS A 52 9.360 16.168 9.534 1.00 0.00 C ATOM 734 CD LYS A 52 10.267 16.851 8.509 1.00 0.00 C ATOM 735 CE LYS A 52 11.413 17.594 9.199 1.00 0.00 C ATOM 736 NZ LYS A 52 11.039 19.003 9.454 1.00 0.00 N ATOM 0 H LYS A 52 7.203 15.440 11.030 1.00 0.00 H new ATOM 0 HA LYS A 52 6.975 16.863 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.376 14.266 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.582 15.170 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.845 16.922 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.964 15.577 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.672 16.107 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.683 17.551 7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.659 17.101 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.306 17.556 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.828 19.492 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.826 19.474 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.200 19.034 10.067 1.00 0.00 H new ATOM 750 N CYS A 53 5.236 14.129 8.730 1.00 0.00 N ATOM 751 CA CYS A 53 4.219 13.362 8.031 1.00 0.00 C ATOM 752 C CYS A 53 2.937 14.196 7.983 1.00 0.00 C ATOM 753 O CYS A 53 2.866 15.266 8.586 1.00 0.00 O ATOM 754 CB CYS A 53 3.989 11.998 8.685 1.00 0.00 C ATOM 755 SG CYS A 53 4.328 10.662 7.482 1.00 0.00 S ATOM 0 H CYS A 53 5.401 13.839 9.694 1.00 0.00 H new ATOM 0 HA CYS A 53 4.553 13.152 7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.637 11.889 9.555 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.962 11.925 9.042 1.00 0.00 H new ATOM 0 HG CYS A 53 3.688 10.901 6.376 1.00 0.00 H new ATOM 761 N SER A 54 1.956 13.674 7.261 1.00 0.00 N ATOM 762 CA SER A 54 0.681 14.357 7.127 1.00 0.00 C ATOM 763 C SER A 54 -0.436 13.339 6.889 1.00 0.00 C ATOM 764 O SER A 54 -0.273 12.406 6.104 1.00 0.00 O ATOM 765 CB SER A 54 0.720 15.378 5.988 1.00 0.00 C ATOM 766 OG SER A 54 0.038 16.582 6.327 1.00 0.00 O ATOM 0 H SER A 54 2.019 12.786 6.763 1.00 0.00 H new ATOM 0 HA SER A 54 0.482 14.895 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.757 15.606 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.268 14.944 5.096 1.00 0.00 H new ATOM 0 HG SER A 54 0.087 17.208 5.575 1.00 0.00 H new ATOM 772 N ARG A 55 -1.545 13.552 7.581 1.00 0.00 N ATOM 773 CA ARG A 55 -2.688 12.664 7.454 1.00 0.00 C ATOM 774 C ARG A 55 -2.846 12.205 6.003 1.00 0.00 C ATOM 775 O ARG A 55 -3.295 11.089 5.747 1.00 0.00 O ATOM 776 CB ARG A 55 -3.976 13.356 7.906 1.00 0.00 C ATOM 777 CG ARG A 55 -4.429 12.835 9.271 1.00 0.00 C ATOM 778 CD ARG A 55 -5.952 12.891 9.402 1.00 0.00 C ATOM 779 NE ARG A 55 -6.360 14.172 10.023 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.598 14.432 10.463 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.558 13.503 10.354 1.00 0.00 N ATOM 782 NH2 ARG A 55 -7.877 15.622 11.014 1.00 0.00 N ATOM 0 H ARG A 55 -1.677 14.327 8.232 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.509 11.800 8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.815 14.433 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.761 13.187 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.087 11.809 9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.970 13.429 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.414 12.790 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.304 12.056 10.007 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.654 14.902 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.346 12.597 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.501 13.702 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.147 16.329 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.820 15.820 11.349 1.00 0.00 H new ATOM 796 N ASN A 56 -2.468 13.090 5.092 1.00 0.00 N ATOM 797 CA ASN A 56 -2.562 12.789 3.674 1.00 0.00 C ATOM 798 C ASN A 56 -1.181 12.940 3.032 1.00 0.00 C ATOM 799 O ASN A 56 -1.000 13.748 2.122 1.00 0.00 O ATOM 800 CB ASN A 56 -3.519 13.753 2.969 1.00 0.00 C ATOM 801 CG ASN A 56 -3.621 15.077 3.728 1.00 0.00 C ATOM 802 OD1 ASN A 56 -4.697 15.572 4.023 1.00 0.00 O ATOM 803 ND2 ASN A 56 -2.445 15.622 4.028 1.00 0.00 N ATOM 0 H ASN A 56 -2.096 14.015 5.308 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.934 11.770 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.171 13.938 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.506 13.298 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.407 16.507 4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.581 15.155 3.751 1.00 0.00 H new ATOM 810 N GLN A 57 -0.242 12.150 3.532 1.00 0.00 N ATOM 811 CA GLN A 57 1.117 12.186 3.019 1.00 0.00 C ATOM 812 C GLN A 57 1.163 11.617 1.600 1.00 0.00 C ATOM 813 O GLN A 57 1.927 12.094 0.761 1.00 0.00 O ATOM 814 CB GLN A 57 2.072 11.429 3.945 1.00 0.00 C ATOM 815 CG GLN A 57 3.330 10.989 3.193 1.00 0.00 C ATOM 816 CD GLN A 57 4.159 12.199 2.758 1.00 0.00 C ATOM 817 OE1 GLN A 57 4.352 13.150 3.496 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.638 12.109 1.520 1.00 0.00 N ATOM 0 H GLN A 57 -0.396 11.481 4.287 1.00 0.00 H new ATOM 0 HA GLN A 57 1.445 13.225 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.350 12.065 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.567 10.556 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.932 10.342 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.049 10.403 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.439 11.284 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.205 12.865 1.136 1.00 0.00 H new ATOM 827 N VAL A 58 0.337 10.607 1.374 1.00 0.00 N ATOM 828 CA VAL A 58 0.274 9.968 0.070 1.00 0.00 C ATOM 829 C VAL A 58 -1.132 9.406 -0.151 1.00 0.00 C ATOM 830 O VAL A 58 -1.937 9.357 0.777 1.00 0.00 O ATOM 831 CB VAL A 58 1.368 8.904 -0.045 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.684 9.521 -0.524 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.558 8.168 1.282 1.00 0.00 C ATOM 0 H VAL A 58 -0.295 10.215 2.072 1.00 0.00 H new ATOM 0 HA VAL A 58 0.461 10.695 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 58 1.050 8.174 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.445 8.744 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.537 9.978 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.009 10.281 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.341 7.417 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.844 8.881 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.625 7.681 1.565 1.00 0.00 H new ATOM 843 N GLU A 59 -1.384 8.998 -1.386 1.00 0.00 N ATOM 844 CA GLU A 59 -2.678 8.442 -1.741 1.00 0.00 C ATOM 845 C GLU A 59 -2.510 7.043 -2.338 1.00 0.00 C ATOM 846 O GLU A 59 -2.173 6.903 -3.513 1.00 0.00 O ATOM 847 CB GLU A 59 -3.426 9.364 -2.706 1.00 0.00 C ATOM 848 CG GLU A 59 -4.939 9.235 -2.526 1.00 0.00 C ATOM 849 CD GLU A 59 -5.638 10.571 -2.787 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.499 11.072 -3.924 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.296 11.061 -1.843 1.00 0.00 O ATOM 0 H GLU A 59 -0.714 9.042 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.276 8.359 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.123 10.397 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.156 9.117 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.327 8.478 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.161 8.896 -1.514 1.00 0.00 H new ATOM 858 N LEU A 60 -2.751 6.044 -1.502 1.00 0.00 N ATOM 859 CA LEU A 60 -2.630 4.662 -1.934 1.00 0.00 C ATOM 860 C LEU A 60 -3.927 4.232 -2.623 1.00 0.00 C ATOM 861 O LEU A 60 -5.018 4.521 -2.136 1.00 0.00 O ATOM 862 CB LEU A 60 -2.233 3.767 -0.758 1.00 0.00 C ATOM 863 CG LEU A 60 -0.731 3.589 -0.528 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.242 4.478 0.617 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.381 2.117 -0.301 1.00 0.00 C ATOM 0 H LEU A 60 -3.029 6.164 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.830 4.560 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.673 4.178 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.676 2.783 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.208 3.909 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.829 4.332 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.437 5.523 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.769 4.214 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.693 2.019 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.914 1.747 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.672 1.535 -1.176 1.00 0.00 H new ATOM 877 N ILE A 61 -3.763 3.548 -3.746 1.00 0.00 N ATOM 878 CA ILE A 61 -4.907 3.076 -4.508 1.00 0.00 C ATOM 879 C ILE A 61 -4.652 1.638 -4.964 1.00 0.00 C ATOM 880 O ILE A 61 -3.693 1.374 -5.688 1.00 0.00 O ATOM 881 CB ILE A 61 -5.222 4.038 -5.654 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.775 5.362 -5.123 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.165 3.390 -6.670 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.090 6.553 -5.797 1.00 0.00 C ATOM 0 H ILE A 61 -2.856 3.309 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.800 3.059 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.292 4.264 -6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.850 5.408 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.627 5.415 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.373 4.095 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.697 2.496 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.098 3.116 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.502 7.481 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.019 6.517 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.261 6.510 -6.873 1.00 0.00 H new ATOM 896 N ALA A 62 -5.526 0.746 -4.522 1.00 0.00 N ATOM 897 CA ALA A 62 -5.407 -0.658 -4.877 1.00 0.00 C ATOM 898 C ALA A 62 -5.830 -0.849 -6.335 1.00 0.00 C ATOM 899 O ALA A 62 -6.990 -0.635 -6.681 1.00 0.00 O ATOM 900 CB ALA A 62 -6.244 -1.501 -3.912 1.00 0.00 C ATOM 0 H ALA A 62 -6.320 0.968 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.373 -0.990 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.155 -2.554 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.885 -1.352 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.289 -1.198 -3.976 1.00 0.00 H new ATOM 906 N ASP A 63 -4.865 -1.250 -7.149 1.00 0.00 N ATOM 907 CA ASP A 63 -5.122 -1.473 -8.562 1.00 0.00 C ATOM 908 C ASP A 63 -4.893 -2.949 -8.891 1.00 0.00 C ATOM 909 O ASP A 63 -3.803 -3.333 -9.312 1.00 0.00 O ATOM 910 CB ASP A 63 -4.177 -0.642 -9.432 1.00 0.00 C ATOM 911 CG ASP A 63 -4.653 0.781 -9.728 1.00 0.00 C ATOM 912 OD1 ASP A 63 -4.777 1.553 -8.752 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.883 1.065 -10.923 1.00 0.00 O ATOM 0 H ASP A 63 -3.904 -1.426 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.152 -1.180 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.206 -0.589 -8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.026 -1.163 -10.378 1.00 0.00 H new ATOM 918 N PRO A 64 -5.967 -3.758 -8.682 1.00 0.00 N ATOM 919 CA PRO A 64 -5.893 -5.184 -8.951 1.00 0.00 C ATOM 920 C PRO A 64 -5.935 -5.460 -10.456 1.00 0.00 C ATOM 921 O PRO A 64 -5.900 -6.614 -10.880 1.00 0.00 O ATOM 922 CB PRO A 64 -7.071 -5.787 -8.204 1.00 0.00 C ATOM 923 CG PRO A 64 -8.024 -4.635 -7.928 1.00 0.00 C ATOM 924 CD PRO A 64 -7.273 -3.338 -8.184 1.00 0.00 C ATOM 0 HA PRO A 64 -4.956 -5.628 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.556 -6.561 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.746 -6.256 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.901 -4.702 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.381 -4.673 -6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.793 -2.716 -8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.178 -2.749 -7.272 1.00 0.00 H new ATOM 932 N GLU A 65 -6.010 -4.381 -11.221 1.00 0.00 N ATOM 933 CA GLU A 65 -6.057 -4.493 -12.669 1.00 0.00 C ATOM 934 C GLU A 65 -5.075 -5.563 -13.151 1.00 0.00 C ATOM 935 O GLU A 65 -5.293 -6.188 -14.188 1.00 0.00 O ATOM 936 CB GLU A 65 -5.767 -3.145 -13.333 1.00 0.00 C ATOM 937 CG GLU A 65 -4.383 -2.625 -12.936 1.00 0.00 C ATOM 938 CD GLU A 65 -3.538 -2.317 -14.174 1.00 0.00 C ATOM 939 OE1 GLU A 65 -4.081 -1.652 -15.082 1.00 0.00 O ATOM 940 OE2 GLU A 65 -2.367 -2.755 -14.184 1.00 0.00 O ATOM 0 H GLU A 65 -6.039 -3.425 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.064 -4.795 -12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.823 -3.250 -14.417 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.529 -2.421 -13.043 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.489 -1.725 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.875 -3.367 -12.320 1.00 0.00 H new ATOM 947 N SER A 66 -4.016 -5.742 -12.376 1.00 0.00 N ATOM 948 CA SER A 66 -3.001 -6.726 -12.710 1.00 0.00 C ATOM 949 C SER A 66 -2.141 -7.030 -11.482 1.00 0.00 C ATOM 950 O SER A 66 -1.892 -8.192 -11.166 1.00 0.00 O ATOM 951 CB SER A 66 -2.124 -6.241 -13.866 1.00 0.00 C ATOM 952 OG SER A 66 -2.486 -6.849 -15.103 1.00 0.00 O ATOM 0 H SER A 66 -3.839 -5.222 -11.517 1.00 0.00 H new ATOM 0 HA SER A 66 -3.503 -7.640 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.209 -5.158 -13.956 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.079 -6.461 -13.646 1.00 0.00 H new ATOM 0 HG SER A 66 -3.461 -6.834 -15.202 1.00 0.00 H new ATOM 958 N ARG A 67 -1.711 -5.964 -10.823 1.00 0.00 N ATOM 959 CA ARG A 67 -0.884 -6.102 -9.636 1.00 0.00 C ATOM 960 C ARG A 67 -0.022 -4.852 -9.441 1.00 0.00 C ATOM 961 O ARG A 67 1.194 -4.899 -9.617 1.00 0.00 O ATOM 962 CB ARG A 67 0.025 -7.329 -9.737 1.00 0.00 C ATOM 963 CG ARG A 67 0.648 -7.436 -11.130 1.00 0.00 C ATOM 964 CD ARG A 67 2.160 -7.210 -11.073 1.00 0.00 C ATOM 965 NE ARG A 67 2.824 -7.945 -12.173 1.00 0.00 N ATOM 966 CZ ARG A 67 2.820 -9.280 -12.294 1.00 0.00 C ATOM 967 NH1 ARG A 67 2.188 -10.033 -11.385 1.00 0.00 N ATOM 968 NH2 ARG A 67 3.448 -9.860 -13.326 1.00 0.00 N ATOM 0 H ARG A 67 -1.920 -5.001 -11.088 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.549 -6.226 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.813 -7.265 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.549 -8.230 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.439 -8.419 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.192 -6.702 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.380 -6.145 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.550 -7.546 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 67 3.315 -7.402 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.709 -9.591 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.185 -11.049 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.929 -9.286 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.446 -10.876 -13.419 1.00 0.00 H new ATOM 982 N THR A 68 -0.687 -3.764 -9.082 1.00 0.00 N ATOM 983 CA THR A 68 0.003 -2.504 -8.861 1.00 0.00 C ATOM 984 C THR A 68 -0.791 -1.624 -7.895 1.00 0.00 C ATOM 985 O THR A 68 -1.876 -2.000 -7.454 1.00 0.00 O ATOM 986 CB THR A 68 0.240 -1.851 -10.224 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.054 -1.815 -10.821 1.00 0.00 O ATOM 988 CG2 THR A 68 1.060 -2.737 -11.164 1.00 0.00 C ATOM 0 H THR A 68 -1.696 -3.729 -8.939 1.00 0.00 H new ATOM 0 HA THR A 68 0.972 -2.660 -8.386 1.00 0.00 H new ATOM 0 HB THR A 68 0.752 -0.898 -10.086 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.993 -1.404 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.199 -2.226 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.033 -2.940 -10.716 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.533 -3.677 -11.330 1.00 0.00 H new ATOM 996 N VAL A 69 -0.219 -0.467 -7.592 1.00 0.00 N ATOM 997 CA VAL A 69 -0.859 0.470 -6.686 1.00 0.00 C ATOM 998 C VAL A 69 -0.362 1.885 -6.988 1.00 0.00 C ATOM 999 O VAL A 69 0.824 2.091 -7.237 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.614 0.047 -5.236 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.139 1.102 -4.260 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.236 -1.321 -4.951 1.00 0.00 C ATOM 0 H VAL A 69 0.681 -0.158 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.939 0.466 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 69 0.463 -0.038 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.952 0.776 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.629 2.049 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.211 1.234 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.047 -1.598 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.311 -1.275 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.794 -2.067 -5.612 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.296 2.825 -6.955 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.968 4.215 -7.222 1.00 0.00 C ATOM 1014 C ALA A 70 -0.619 4.914 -5.907 1.00 0.00 C ATOM 1015 O ALA A 70 -1.187 4.598 -4.862 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.136 4.886 -7.947 1.00 0.00 C ATOM 0 H ALA A 70 -2.279 2.651 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.097 4.285 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.889 5.929 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.324 4.371 -8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.028 4.838 -7.322 1.00 0.00 H new ATOM 1022 N VAL A 71 0.312 5.852 -6.000 1.00 0.00 N ATOM 1023 CA VAL A 71 0.743 6.599 -4.831 1.00 0.00 C ATOM 1024 C VAL A 71 0.881 8.078 -5.197 1.00 0.00 C ATOM 1025 O VAL A 71 1.849 8.472 -5.846 1.00 0.00 O ATOM 1026 CB VAL A 71 2.035 5.998 -4.273 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.581 6.845 -3.121 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.820 4.548 -3.833 1.00 0.00 C ATOM 0 H VAL A 71 0.780 6.112 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.002 6.529 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 71 2.777 6.000 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.499 6.396 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.791 7.853 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.842 6.890 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.753 4.145 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.055 4.513 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.498 3.952 -4.687 1.00 0.00 H new ATOM 1038 N LYS A 72 -0.101 8.856 -4.766 1.00 0.00 N ATOM 1039 CA LYS A 72 -0.101 10.282 -5.041 1.00 0.00 C ATOM 1040 C LYS A 72 0.217 11.045 -3.753 1.00 0.00 C ATOM 1041 O LYS A 72 -0.474 10.889 -2.748 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.419 10.702 -5.695 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.375 12.170 -6.123 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.783 12.766 -6.184 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.392 12.594 -7.577 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.817 11.192 -7.787 1.00 0.00 N ATOM 0 H LYS A 72 -0.902 8.525 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 72 0.679 10.531 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.615 10.072 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.241 10.548 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.766 12.739 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.898 12.254 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.419 12.282 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.745 13.825 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.247 13.260 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.663 12.877 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.585 11.163 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.011 10.633 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.154 10.793 -6.888 1.00 0.00 H new ATOM 1060 N GLN A 73 1.264 11.854 -3.826 1.00 0.00 N ATOM 1061 CA GLN A 73 1.682 12.642 -2.679 1.00 0.00 C ATOM 1062 C GLN A 73 0.793 13.878 -2.531 1.00 0.00 C ATOM 1063 O GLN A 73 0.884 14.812 -3.326 1.00 0.00 O ATOM 1064 CB GLN A 73 3.156 13.037 -2.793 1.00 0.00 C ATOM 1065 CG GLN A 73 3.507 14.139 -1.791 1.00 0.00 C ATOM 1066 CD GLN A 73 5.021 14.351 -1.717 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.809 13.426 -1.826 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.381 15.617 -1.525 1.00 0.00 N ATOM 0 H GLN A 73 1.835 11.981 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 73 1.572 12.030 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.785 12.165 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.367 13.381 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.020 15.069 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.125 13.874 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.669 16.343 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.369 15.862 -1.461 1.00 0.00 H new ATOM 1077 N LEU A 74 -0.047 13.844 -1.507 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.953 14.950 -1.245 1.00 0.00 C ATOM 1079 C LEU A 74 -0.375 15.823 -0.129 1.00 0.00 C ATOM 1080 O LEU A 74 -0.949 16.854 0.218 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.362 14.431 -0.952 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.744 13.112 -1.626 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.642 12.271 -0.716 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.385 13.360 -2.993 1.00 0.00 C ATOM 0 H LEU A 74 -0.119 13.068 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.048 15.582 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.466 14.309 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.079 15.193 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.832 12.539 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.899 11.339 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.114 12.049 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.553 12.825 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.647 12.406 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.285 13.962 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.680 13.889 -3.635 1.00 0.00 H new ATOM 1096 N GLY A 75 0.755 15.378 0.402 1.00 0.00 N ATOM 1097 CA GLY A 75 1.417 16.105 1.472 1.00 0.00 C ATOM 1098 C GLY A 75 2.372 17.159 0.908 1.00 0.00 C ATOM 1099 O GLY A 75 2.075 17.793 -0.103 1.00 0.00 O ATOM 0 H GLY A 75 1.229 14.523 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.672 16.586 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.969 15.408 2.103 1.00 0.00 H new ATOM 1103 N VAL A 76 3.499 17.314 1.588 1.00 0.00 N ATOM 1104 CA VAL A 76 4.499 18.280 1.167 1.00 0.00 C ATOM 1105 C VAL A 76 5.849 17.576 1.013 1.00 0.00 C ATOM 1106 O VAL A 76 6.491 17.678 -0.031 1.00 0.00 O ATOM 1107 CB VAL A 76 4.544 19.449 2.153 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.403 18.957 3.595 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.825 20.267 1.976 1.00 0.00 C ATOM 0 H VAL A 76 3.741 16.787 2.427 1.00 0.00 H new ATOM 0 HA VAL A 76 4.239 18.701 0.196 1.00 0.00 H new ATOM 0 HB VAL A 76 3.697 20.101 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.438 19.808 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.451 18.439 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.219 18.273 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.832 21.092 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.691 19.629 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.866 20.664 0.962 1.00 0.00 H new ATOM 1119 N ASN A 77 6.240 16.877 2.069 1.00 0.00 N ATOM 1120 CA ASN A 77 7.501 16.157 2.064 1.00 0.00 C ATOM 1121 C ASN A 77 7.507 15.155 0.908 1.00 0.00 C ATOM 1122 O ASN A 77 6.483 14.544 0.606 1.00 0.00 O ATOM 1123 CB ASN A 77 7.695 15.377 3.366 1.00 0.00 C ATOM 1124 CG ASN A 77 8.235 16.284 4.474 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.368 16.738 4.443 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.365 16.522 5.451 1.00 0.00 N ATOM 0 H ASN A 77 5.705 16.794 2.934 1.00 0.00 H new ATOM 0 HA ASN A 77 8.305 16.886 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.746 14.942 3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.385 14.550 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.630 17.116 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.432 16.110 5.415 1.00 0.00 H new ATOM 1133 N PRO A 78 8.703 15.014 0.276 1.00 0.00 N ATOM 1134 CA PRO A 78 8.856 14.097 -0.841 1.00 0.00 C ATOM 1135 C PRO A 78 8.901 12.646 -0.357 1.00 0.00 C ATOM 1136 O PRO A 78 9.707 12.301 0.506 1.00 0.00 O ATOM 1137 CB PRO A 78 10.136 14.532 -1.535 1.00 0.00 C ATOM 1138 CG PRO A 78 10.895 15.372 -0.521 1.00 0.00 C ATOM 1139 CD PRO A 78 9.937 15.721 0.606 1.00 0.00 C ATOM 0 HA PRO A 78 8.013 14.131 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.725 13.669 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.917 15.108 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.753 14.822 -0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.281 16.278 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.329 15.403 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.773 16.797 0.667 1.00 0.00 H new ATOM 1147 N SER A 79 8.026 11.835 -0.933 1.00 0.00 N ATOM 1148 CA SER A 79 7.957 10.430 -0.571 1.00 0.00 C ATOM 1149 C SER A 79 8.733 9.589 -1.587 1.00 0.00 C ATOM 1150 O SER A 79 8.951 10.020 -2.718 1.00 0.00 O ATOM 1151 CB SER A 79 6.505 9.954 -0.487 1.00 0.00 C ATOM 1152 OG SER A 79 6.412 8.534 -0.427 1.00 0.00 O ATOM 0 H SER A 79 7.359 12.124 -1.648 1.00 0.00 H new ATOM 0 HA SER A 79 8.409 10.308 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.032 10.386 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.954 10.317 -1.354 1.00 0.00 H new ATOM 0 HG SER A 79 6.836 8.213 0.396 1.00 0.00 H new ATOM 1158 N THR A 80 9.129 8.404 -1.146 1.00 0.00 N ATOM 1159 CA THR A 80 9.876 7.499 -2.003 1.00 0.00 C ATOM 1160 C THR A 80 9.078 6.217 -2.249 1.00 0.00 C ATOM 1161 O THR A 80 8.940 5.385 -1.354 1.00 0.00 O ATOM 1162 CB THR A 80 11.239 7.250 -1.353 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.816 8.549 -1.249 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.196 6.490 -2.273 1.00 0.00 C ATOM 0 H THR A 80 8.947 8.050 -0.207 1.00 0.00 H new ATOM 0 HA THR A 80 10.043 7.935 -2.988 1.00 0.00 H new ATOM 0 HB THR A 80 11.103 6.690 -0.428 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.702 8.481 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.148 6.340 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.764 5.522 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.359 7.066 -3.184 1.00 0.00 H new ATOM 1172 N VAL A 81 8.573 6.098 -3.468 1.00 0.00 N ATOM 1173 CA VAL A 81 7.792 4.931 -3.844 1.00 0.00 C ATOM 1174 C VAL A 81 8.726 3.854 -4.399 1.00 0.00 C ATOM 1175 O VAL A 81 8.763 3.621 -5.606 1.00 0.00 O ATOM 1176 CB VAL A 81 6.692 5.333 -4.829 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.215 4.127 -5.640 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.523 6.002 -4.102 1.00 0.00 C ATOM 0 H VAL A 81 8.689 6.790 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 81 7.292 4.510 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 81 7.114 6.059 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.433 4.440 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.052 3.712 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.819 3.368 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.755 6.278 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.103 5.309 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.877 6.897 -3.590 1.00 0.00 H new ATOM 1188 N GLY A 82 9.459 3.227 -3.490 1.00 0.00 N ATOM 1189 CA GLY A 82 10.391 2.180 -3.874 1.00 0.00 C ATOM 1190 C GLY A 82 11.837 2.671 -3.778 1.00 0.00 C ATOM 1191 O GLY A 82 12.423 2.677 -2.697 1.00 0.00 O ATOM 0 H GLY A 82 9.426 3.424 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.254 1.312 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.180 1.856 -4.893 1.00 0.00 H new ATOM 1195 N VAL A 83 12.370 3.070 -4.923 1.00 0.00 N ATOM 1196 CA VAL A 83 13.736 3.562 -4.982 1.00 0.00 C ATOM 1197 C VAL A 83 13.764 4.885 -5.749 1.00 0.00 C ATOM 1198 O VAL A 83 14.821 5.322 -6.201 1.00 0.00 O ATOM 1199 CB VAL A 83 14.649 2.497 -5.593 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.354 2.310 -7.082 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.122 2.842 -5.365 1.00 0.00 C ATOM 0 H VAL A 83 11.880 3.063 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 83 14.115 3.760 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 83 14.444 1.552 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.017 1.548 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.318 1.997 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.517 3.252 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.750 2.069 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.347 3.803 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.321 2.900 -4.295 1.00 0.00 H new ATOM 1211 N GLN A 84 12.590 5.487 -5.872 1.00 0.00 N ATOM 1212 CA GLN A 84 12.467 6.752 -6.576 1.00 0.00 C ATOM 1213 C GLN A 84 11.809 7.799 -5.675 1.00 0.00 C ATOM 1214 O GLN A 84 10.882 7.488 -4.930 1.00 0.00 O ATOM 1215 CB GLN A 84 11.685 6.580 -7.879 1.00 0.00 C ATOM 1216 CG GLN A 84 11.314 7.938 -8.480 1.00 0.00 C ATOM 1217 CD GLN A 84 11.030 7.815 -9.978 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.885 8.039 -10.819 1.00 0.00 O ATOM 1219 NE2 GLN A 84 9.784 7.449 -10.264 1.00 0.00 N ATOM 0 H GLN A 84 11.715 5.122 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 84 13.467 7.101 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.282 6.013 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.780 6.002 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.437 8.337 -7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.127 8.646 -8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.118 7.277 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.495 7.340 -11.236 1.00 0.00 H new ATOM 1228 N GLU A 85 12.315 9.020 -5.774 1.00 0.00 N ATOM 1229 CA GLU A 85 11.789 10.115 -4.977 1.00 0.00 C ATOM 1230 C GLU A 85 10.598 10.763 -5.687 1.00 0.00 C ATOM 1231 O GLU A 85 10.643 10.997 -6.894 1.00 0.00 O ATOM 1232 CB GLU A 85 12.877 11.148 -4.677 1.00 0.00 C ATOM 1233 CG GLU A 85 12.275 12.417 -4.071 1.00 0.00 C ATOM 1234 CD GLU A 85 13.331 13.518 -3.944 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.400 13.215 -3.371 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.045 14.636 -4.424 1.00 0.00 O ATOM 0 H GLU A 85 13.084 9.275 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 85 11.445 9.713 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.607 10.723 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.411 11.396 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.452 12.767 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.858 12.193 -3.089 1.00 0.00 H new ATOM 1243 N LEU A 86 9.561 11.034 -4.908 1.00 0.00 N ATOM 1244 CA LEU A 86 8.361 11.650 -5.447 1.00 0.00 C ATOM 1245 C LEU A 86 8.380 13.149 -5.140 1.00 0.00 C ATOM 1246 O LEU A 86 9.376 13.671 -4.643 1.00 0.00 O ATOM 1247 CB LEU A 86 7.112 10.932 -4.932 1.00 0.00 C ATOM 1248 CG LEU A 86 6.778 9.600 -5.606 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.362 9.144 -5.247 1.00 0.00 C ATOM 1250 CD2 LEU A 86 6.987 9.683 -7.119 1.00 0.00 C ATOM 0 H LEU A 86 9.527 10.838 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 86 8.335 11.547 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.234 10.755 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.259 11.600 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 86 7.466 8.844 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.150 8.195 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.283 9.019 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.643 9.893 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.742 8.723 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.340 10.456 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.028 9.929 -7.330 1.00 0.00 H new ATOM 1262 N LYS A 87 7.267 13.798 -5.447 1.00 0.00 N ATOM 1263 CA LYS A 87 7.143 15.226 -5.210 1.00 0.00 C ATOM 1264 C LYS A 87 5.730 15.535 -4.711 1.00 0.00 C ATOM 1265 O LYS A 87 4.852 14.674 -4.751 1.00 0.00 O ATOM 1266 CB LYS A 87 7.540 16.013 -6.460 1.00 0.00 C ATOM 1267 CG LYS A 87 8.958 16.572 -6.328 1.00 0.00 C ATOM 1268 CD LYS A 87 9.514 16.984 -7.693 1.00 0.00 C ATOM 1269 CE LYS A 87 11.038 16.851 -7.726 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.648 18.035 -8.371 1.00 0.00 N ATOM 0 H LYS A 87 6.442 13.361 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 87 7.834 15.544 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.480 15.366 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.836 16.830 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.953 17.432 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.608 15.822 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.074 16.362 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.230 18.014 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.422 16.744 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.318 15.949 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.682 17.928 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.295 18.120 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.395 18.890 -7.836 1.00 0.00 H new ATOM 1284 N PRO A 88 5.549 16.799 -4.242 1.00 0.00 N ATOM 1285 CA PRO A 88 4.258 17.232 -3.737 1.00 0.00 C ATOM 1286 C PRO A 88 3.276 17.481 -4.883 1.00 0.00 C ATOM 1287 O PRO A 88 3.297 18.542 -5.504 1.00 0.00 O ATOM 1288 CB PRO A 88 4.553 18.483 -2.925 1.00 0.00 C ATOM 1289 CG PRO A 88 5.918 18.966 -3.386 1.00 0.00 C ATOM 1290 CD PRO A 88 6.566 17.844 -4.180 1.00 0.00 C ATOM 0 HA PRO A 88 3.773 16.477 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.792 19.245 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.556 18.264 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.819 19.861 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.537 19.235 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.852 18.178 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.473 17.486 -3.692 1.00 0.00 H new ATOM 1298 N GLY A 89 2.439 16.484 -5.129 1.00 0.00 N ATOM 1299 CA GLY A 89 1.451 16.581 -6.190 1.00 0.00 C ATOM 1300 C GLY A 89 1.747 15.580 -7.309 1.00 0.00 C ATOM 1301 O GLY A 89 1.045 15.546 -8.319 1.00 0.00 O ATOM 0 H GLY A 89 2.425 15.605 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.457 16.394 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.445 17.593 -6.595 1.00 0.00 H new ATOM 1305 N LEU A 90 2.787 14.788 -7.091 1.00 0.00 N ATOM 1306 CA LEU A 90 3.184 13.789 -8.068 1.00 0.00 C ATOM 1307 C LEU A 90 2.403 12.498 -7.817 1.00 0.00 C ATOM 1308 O LEU A 90 1.605 12.422 -6.884 1.00 0.00 O ATOM 1309 CB LEU A 90 4.702 13.601 -8.055 1.00 0.00 C ATOM 1310 CG LEU A 90 5.349 13.271 -9.402 1.00 0.00 C ATOM 1311 CD1 LEU A 90 4.759 14.133 -10.519 1.00 0.00 C ATOM 1312 CD2 LEU A 90 6.872 13.397 -9.324 1.00 0.00 C ATOM 0 H LEU A 90 3.366 14.818 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 90 2.935 14.122 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.158 14.513 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.943 12.803 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 90 5.124 12.232 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.236 13.879 -11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.687 13.950 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.933 15.186 -10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.307 13.157 -10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.139 14.417 -9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.256 12.706 -8.573 1.00 0.00 H new ATOM 1324 N SER A 91 2.659 11.514 -8.667 1.00 0.00 N ATOM 1325 CA SER A 91 1.989 10.230 -8.549 1.00 0.00 C ATOM 1326 C SER A 91 2.817 9.143 -9.237 1.00 0.00 C ATOM 1327 O SER A 91 3.307 9.340 -10.348 1.00 0.00 O ATOM 1328 CB SER A 91 0.583 10.285 -9.149 1.00 0.00 C ATOM 1329 OG SER A 91 0.226 11.604 -9.553 1.00 0.00 O ATOM 0 H SER A 91 3.321 11.580 -9.440 1.00 0.00 H new ATOM 0 HA SER A 91 1.894 9.990 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.529 9.616 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.138 9.923 -8.416 1.00 0.00 H new ATOM 0 HG SER A 91 -0.678 11.597 -9.932 1.00 0.00 H new ATOM 1335 N GLY A 92 2.949 8.019 -8.548 1.00 0.00 N ATOM 1336 CA GLY A 92 3.710 6.900 -9.079 1.00 0.00 C ATOM 1337 C GLY A 92 2.956 5.583 -8.883 1.00 0.00 C ATOM 1338 O GLY A 92 1.774 5.584 -8.544 1.00 0.00 O ATOM 0 H GLY A 92 2.542 7.859 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.904 7.058 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.679 6.846 -8.583 1.00 0.00 H new ATOM 1342 N SER A 93 3.672 4.491 -9.104 1.00 0.00 N ATOM 1343 CA SER A 93 3.087 3.169 -8.956 1.00 0.00 C ATOM 1344 C SER A 93 3.937 2.323 -8.006 1.00 0.00 C ATOM 1345 O SER A 93 5.162 2.431 -8.001 1.00 0.00 O ATOM 1346 CB SER A 93 2.951 2.472 -10.311 1.00 0.00 C ATOM 1347 OG SER A 93 2.155 3.224 -11.222 1.00 0.00 O ATOM 0 H SER A 93 4.653 4.494 -9.385 1.00 0.00 H new ATOM 0 HA SER A 93 2.088 3.283 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.941 2.316 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.506 1.487 -10.169 1.00 0.00 H new ATOM 0 HG SER A 93 2.094 2.746 -12.075 1.00 0.00 H new ATOM 1353 N LEU A 94 3.253 1.500 -7.225 1.00 0.00 N ATOM 1354 CA LEU A 94 3.930 0.636 -6.273 1.00 0.00 C ATOM 1355 C LEU A 94 3.643 -0.825 -6.623 1.00 0.00 C ATOM 1356 O LEU A 94 2.489 -1.250 -6.633 1.00 0.00 O ATOM 1357 CB LEU A 94 3.545 1.012 -4.840 1.00 0.00 C ATOM 1358 CG LEU A 94 4.690 1.471 -3.936 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.497 2.926 -3.502 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.854 0.533 -2.739 1.00 0.00 C ATOM 0 H LEU A 94 2.237 1.413 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 94 5.010 0.773 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.801 1.807 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.065 0.150 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 94 5.616 1.426 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.325 3.227 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.469 3.568 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.560 3.021 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.675 0.882 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.933 0.522 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.072 -0.475 -3.093 1.00 0.00 H new ATOM 1372 N SER A 95 4.714 -1.554 -6.903 1.00 0.00 N ATOM 1373 CA SER A 95 4.592 -2.959 -7.253 1.00 0.00 C ATOM 1374 C SER A 95 4.580 -3.815 -5.985 1.00 0.00 C ATOM 1375 O SER A 95 4.942 -3.342 -4.909 1.00 0.00 O ATOM 1376 CB SER A 95 5.729 -3.396 -8.178 1.00 0.00 C ATOM 1377 OG SER A 95 6.004 -2.424 -9.183 1.00 0.00 O ATOM 0 H SER A 95 5.670 -1.198 -6.895 1.00 0.00 H new ATOM 0 HA SER A 95 3.652 -3.099 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.629 -3.572 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.468 -4.343 -8.651 1.00 0.00 H new ATOM 0 HG SER A 95 6.737 -2.740 -9.752 1.00 0.00 H new ATOM 1383 N LEU A 96 4.161 -5.061 -6.155 1.00 0.00 N ATOM 1384 CA LEU A 96 4.098 -5.987 -5.037 1.00 0.00 C ATOM 1385 C LEU A 96 5.513 -6.261 -4.526 1.00 0.00 C ATOM 1386 O LEU A 96 6.293 -6.949 -5.184 1.00 0.00 O ATOM 1387 CB LEU A 96 3.331 -7.251 -5.432 1.00 0.00 C ATOM 1388 CG LEU A 96 1.819 -7.219 -5.200 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.116 -8.306 -6.015 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.491 -7.317 -3.709 1.00 0.00 C ATOM 0 H LEU A 96 3.862 -5.450 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 96 3.540 -5.548 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.512 -7.446 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.746 -8.092 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 96 1.440 -6.259 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.042 -8.261 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.310 -8.148 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.494 -9.285 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.410 -7.292 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.886 -8.251 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.943 -6.477 -3.181 1.00 0.00 H new ATOM 1402 N GLY A 97 5.804 -5.709 -3.357 1.00 0.00 N ATOM 1403 CA GLY A 97 7.112 -5.886 -2.750 1.00 0.00 C ATOM 1404 C GLY A 97 7.814 -4.540 -2.560 1.00 0.00 C ATOM 1405 O GLY A 97 8.608 -4.375 -1.635 1.00 0.00 O ATOM 0 H GLY A 97 5.156 -5.139 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.005 -6.384 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.724 -6.534 -3.378 1.00 0.00 H new ATOM 1409 N ASP A 98 7.496 -3.611 -3.450 1.00 0.00 N ATOM 1410 CA ASP A 98 8.086 -2.285 -3.392 1.00 0.00 C ATOM 1411 C ASP A 98 7.880 -1.701 -1.993 1.00 0.00 C ATOM 1412 O ASP A 98 7.163 -2.276 -1.175 1.00 0.00 O ATOM 1413 CB ASP A 98 7.425 -1.343 -4.400 1.00 0.00 C ATOM 1414 CG ASP A 98 8.269 -1.021 -5.635 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.896 -1.968 -6.156 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.268 0.165 -6.029 1.00 0.00 O ATOM 0 H ASP A 98 6.837 -3.751 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 98 9.146 -2.377 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.485 -1.787 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.178 -0.410 -3.894 1.00 0.00 H new ATOM 1421 N VAL A 99 8.521 -0.565 -1.760 1.00 0.00 N ATOM 1422 CA VAL A 99 8.417 0.103 -0.474 1.00 0.00 C ATOM 1423 C VAL A 99 7.868 1.516 -0.681 1.00 0.00 C ATOM 1424 O VAL A 99 8.092 2.126 -1.725 1.00 0.00 O ATOM 1425 CB VAL A 99 9.773 0.087 0.235 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.817 1.126 1.358 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.097 -1.310 0.767 1.00 0.00 C ATOM 0 H VAL A 99 9.114 -0.090 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 99 7.719 -0.425 0.175 1.00 0.00 H new ATOM 0 HB VAL A 99 10.537 0.352 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.791 1.094 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.653 2.120 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.038 0.906 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.066 -1.294 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.328 -1.616 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.128 -2.017 -0.062 1.00 0.00 H new ATOM 1437 N LEU A 100 7.158 1.994 0.330 1.00 0.00 N ATOM 1438 CA LEU A 100 6.575 3.324 0.272 1.00 0.00 C ATOM 1439 C LEU A 100 6.962 4.102 1.532 1.00 0.00 C ATOM 1440 O LEU A 100 6.222 4.108 2.514 1.00 0.00 O ATOM 1441 CB LEU A 100 5.064 3.236 0.044 1.00 0.00 C ATOM 1442 CG LEU A 100 4.283 4.541 0.216 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.964 5.690 -0.529 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.824 4.366 -0.210 1.00 0.00 C ATOM 0 H LEU A 100 6.973 1.484 1.194 1.00 0.00 H new ATOM 0 HA LEU A 100 6.972 3.877 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.890 2.862 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.655 2.497 0.733 1.00 0.00 H new ATOM 0 HG LEU A 100 4.281 4.801 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.389 6.605 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.971 5.832 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.018 5.453 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.291 5.308 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.784 4.070 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.356 3.595 0.402 1.00 0.00 H new ATOM 1456 N TYR A 101 8.122 4.739 1.461 1.00 0.00 N ATOM 1457 CA TYR A 101 8.616 5.518 2.583 1.00 0.00 C ATOM 1458 C TYR A 101 7.675 6.683 2.900 1.00 0.00 C ATOM 1459 O TYR A 101 7.762 7.742 2.280 1.00 0.00 O ATOM 1460 CB TYR A 101 9.971 6.078 2.144 1.00 0.00 C ATOM 1461 CG TYR A 101 11.064 5.018 1.999 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.780 4.610 3.106 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.335 4.470 0.761 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.810 3.612 2.969 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.365 3.473 0.625 1.00 0.00 C ATOM 1466 CZ TYR A 101 13.051 3.093 1.736 1.00 0.00 C ATOM 1467 OH TYR A 101 14.024 2.151 1.607 1.00 0.00 O ATOM 0 H TYR A 101 8.733 4.731 0.644 1.00 0.00 H new ATOM 0 HA TYR A 101 8.689 4.898 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.849 6.592 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.296 6.824 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.568 5.039 4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.775 4.789 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.378 3.284 3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.588 3.037 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 101 14.085 1.870 0.670 1.00 0.00 H new ATOM 1477 N LEU A 102 6.797 6.447 3.864 1.00 0.00 N ATOM 1478 CA LEU A 102 5.841 7.463 4.270 1.00 0.00 C ATOM 1479 C LEU A 102 6.471 8.847 4.101 1.00 0.00 C ATOM 1480 O LEU A 102 5.956 9.682 3.360 1.00 0.00 O ATOM 1481 CB LEU A 102 5.335 7.186 5.687 1.00 0.00 C ATOM 1482 CG LEU A 102 3.868 6.769 5.805 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.740 5.398 6.474 1.00 0.00 C ATOM 1484 CD2 LEU A 102 3.050 7.839 6.531 1.00 0.00 C ATOM 0 H LEU A 102 6.728 5.567 4.375 1.00 0.00 H new ATOM 0 HA LEU A 102 4.959 7.434 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.952 6.401 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.487 8.083 6.288 1.00 0.00 H new ATOM 0 HG LEU A 102 3.457 6.677 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.687 5.125 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.269 4.652 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.173 5.439 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.011 7.517 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.453 7.987 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.103 8.776 5.977 1.00 0.00 H new ATOM 1496 N VAL A 103 7.578 9.047 4.802 1.00 0.00 N ATOM 1497 CA VAL A 103 8.284 10.316 4.739 1.00 0.00 C ATOM 1498 C VAL A 103 9.690 10.141 5.318 1.00 0.00 C ATOM 1499 O VAL A 103 10.008 9.094 5.879 1.00 0.00 O ATOM 1500 CB VAL A 103 7.475 11.401 5.452 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.349 11.098 6.946 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.089 12.783 5.222 1.00 0.00 C ATOM 0 H VAL A 103 8.003 8.352 5.416 1.00 0.00 H new ATOM 0 HA VAL A 103 8.396 10.640 3.704 1.00 0.00 H new ATOM 0 HB VAL A 103 6.472 11.406 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.770 11.885 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.846 10.141 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.342 11.052 7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.495 13.536 5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.108 12.797 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.102 13.002 4.154 1.00 0.00 H new ATOM 1512 N ASN A 104 10.493 11.183 5.161 1.00 0.00 N ATOM 1513 CA ASN A 104 11.857 11.158 5.661 1.00 0.00 C ATOM 1514 C ASN A 104 12.477 9.789 5.372 1.00 0.00 C ATOM 1515 O ASN A 104 13.155 9.218 6.225 1.00 0.00 O ATOM 1516 CB ASN A 104 11.894 11.384 7.173 1.00 0.00 C ATOM 1517 CG ASN A 104 12.850 12.522 7.535 1.00 0.00 C ATOM 1518 OD1 ASN A 104 14.035 12.326 7.754 1.00 0.00 O ATOM 1519 ND2 ASN A 104 12.273 13.719 7.585 1.00 0.00 N ATOM 0 H ASN A 104 10.225 12.050 4.695 1.00 0.00 H new ATOM 0 HA ASN A 104 12.412 11.953 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.892 11.617 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.208 10.468 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.827 14.543 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.276 13.813 7.391 1.00 0.00 H new ATOM 1526 N GLY A 105 12.221 9.302 4.167 1.00 0.00 N ATOM 1527 CA GLY A 105 12.746 8.011 3.755 1.00 0.00 C ATOM 1528 C GLY A 105 12.670 6.998 4.899 1.00 0.00 C ATOM 1529 O GLY A 105 13.455 6.053 4.949 1.00 0.00 O ATOM 0 H GLY A 105 11.657 9.778 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.182 7.641 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.781 8.122 3.431 1.00 0.00 H new ATOM 1533 N LEU A 106 11.718 7.231 5.791 1.00 0.00 N ATOM 1534 CA LEU A 106 11.530 6.351 6.932 1.00 0.00 C ATOM 1535 C LEU A 106 10.120 5.758 6.886 1.00 0.00 C ATOM 1536 O LEU A 106 9.413 5.906 5.891 1.00 0.00 O ATOM 1537 CB LEU A 106 11.846 7.088 8.235 1.00 0.00 C ATOM 1538 CG LEU A 106 13.329 7.248 8.573 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.513 8.021 9.880 1.00 0.00 C ATOM 1540 CD2 LEU A 106 14.033 5.890 8.607 1.00 0.00 C ATOM 0 H LEU A 106 11.069 8.016 5.747 1.00 0.00 H new ATOM 0 HA LEU A 106 12.229 5.516 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.396 8.080 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.362 6.558 9.055 1.00 0.00 H new ATOM 0 HG LEU A 106 13.798 7.835 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.576 8.121 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.068 9.011 9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.026 7.483 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.086 6.032 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.568 5.258 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.947 5.411 7.632 1.00 0.00 H new ATOM 1552 N TYR A 107 9.754 5.100 7.976 1.00 0.00 N ATOM 1553 CA TYR A 107 8.442 4.484 8.073 1.00 0.00 C ATOM 1554 C TYR A 107 8.016 3.885 6.731 1.00 0.00 C ATOM 1555 O TYR A 107 6.985 4.263 6.178 1.00 0.00 O ATOM 1556 CB TYR A 107 7.475 5.610 8.445 1.00 0.00 C ATOM 1557 CG TYR A 107 8.016 6.569 9.507 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.396 6.088 10.743 1.00 0.00 C ATOM 1559 CD2 TYR A 107 8.124 7.917 9.228 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.905 6.991 11.742 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.633 8.820 10.227 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.999 8.313 11.435 1.00 0.00 C ATOM 1563 OH TYR A 107 9.480 9.166 12.378 1.00 0.00 O ATOM 0 H TYR A 107 10.343 4.980 8.800 1.00 0.00 H new ATOM 0 HA TYR A 107 8.450 3.679 8.807 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.232 6.178 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.545 5.172 8.806 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.312 5.034 10.961 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.827 8.294 8.261 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.206 6.627 12.713 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.722 9.877 10.022 1.00 0.00 H new ATOM 0 HH TYR A 107 9.148 10.071 12.201 1.00 0.00 H new ATOM 1573 N PRO A 108 8.854 2.937 6.233 1.00 0.00 N ATOM 1574 CA PRO A 108 8.576 2.282 4.966 1.00 0.00 C ATOM 1575 C PRO A 108 7.449 1.258 5.115 1.00 0.00 C ATOM 1576 O PRO A 108 6.887 1.101 6.198 1.00 0.00 O ATOM 1577 CB PRO A 108 9.896 1.656 4.548 1.00 0.00 C ATOM 1578 CG PRO A 108 10.742 1.585 5.810 1.00 0.00 C ATOM 1579 CD PRO A 108 10.085 2.464 6.861 1.00 0.00 C ATOM 0 HA PRO A 108 8.221 2.975 4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.741 0.663 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.387 2.256 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.815 0.557 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.758 1.925 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.875 1.903 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.731 3.296 7.142 1.00 0.00 H new ATOM 1587 N LEU A 109 7.152 0.588 4.011 1.00 0.00 N ATOM 1588 CA LEU A 109 6.103 -0.416 4.004 1.00 0.00 C ATOM 1589 C LEU A 109 6.397 -1.449 2.914 1.00 0.00 C ATOM 1590 O LEU A 109 7.329 -1.279 2.130 1.00 0.00 O ATOM 1591 CB LEU A 109 4.729 0.244 3.870 1.00 0.00 C ATOM 1592 CG LEU A 109 4.253 1.053 5.079 1.00 0.00 C ATOM 1593 CD1 LEU A 109 4.642 2.526 4.941 1.00 0.00 C ATOM 1594 CD2 LEU A 109 2.749 0.876 5.299 1.00 0.00 C ATOM 0 H LEU A 109 7.620 0.721 3.115 1.00 0.00 H new ATOM 0 HA LEU A 109 6.083 -0.951 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.747 0.902 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.993 -0.533 3.665 1.00 0.00 H new ATOM 0 HG LEU A 109 4.756 0.669 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.292 3.078 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.726 2.611 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.185 2.940 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.436 1.461 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.209 1.218 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.528 -0.177 5.474 1.00 0.00 H new ATOM 1606 N THR A 110 5.586 -2.496 2.901 1.00 0.00 N ATOM 1607 CA THR A 110 5.748 -3.556 1.920 1.00 0.00 C ATOM 1608 C THR A 110 4.398 -3.917 1.297 1.00 0.00 C ATOM 1609 O THR A 110 3.586 -4.599 1.919 1.00 0.00 O ATOM 1610 CB THR A 110 6.434 -4.737 2.609 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.653 -4.189 3.104 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.884 -5.812 1.618 1.00 0.00 C ATOM 0 H THR A 110 4.815 -2.633 3.554 1.00 0.00 H new ATOM 0 HA THR A 110 6.378 -3.234 1.091 1.00 0.00 H new ATOM 0 HB THR A 110 5.754 -5.177 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.161 -4.887 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.365 -6.627 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.018 -6.195 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.591 -5.381 0.909 1.00 0.00 H new ATOM 1620 N LEU A 111 4.200 -3.443 0.076 1.00 0.00 N ATOM 1621 CA LEU A 111 2.963 -3.707 -0.639 1.00 0.00 C ATOM 1622 C LEU A 111 2.794 -5.217 -0.816 1.00 0.00 C ATOM 1623 O LEU A 111 3.718 -5.902 -1.252 1.00 0.00 O ATOM 1624 CB LEU A 111 2.925 -2.926 -1.953 1.00 0.00 C ATOM 1625 CG LEU A 111 1.776 -3.267 -2.904 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.430 -2.849 -2.310 1.00 0.00 C ATOM 1627 CD2 LEU A 111 2.008 -2.654 -4.287 1.00 0.00 C ATOM 0 H LEU A 111 4.876 -2.877 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 111 2.108 -3.355 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.873 -1.863 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.866 -3.091 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 111 1.749 -4.349 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.369 -3.103 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.270 -3.372 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.429 -1.774 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.177 -2.912 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.077 -1.570 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.936 -3.043 -4.707 1.00 0.00 H new ATOM 1639 N ARG A 112 1.607 -5.693 -0.469 1.00 0.00 N ATOM 1640 CA ARG A 112 1.305 -7.110 -0.584 1.00 0.00 C ATOM 1641 C ARG A 112 -0.055 -7.310 -1.254 1.00 0.00 C ATOM 1642 O ARG A 112 -0.819 -6.359 -1.413 1.00 0.00 O ATOM 1643 CB ARG A 112 1.294 -7.784 0.789 1.00 0.00 C ATOM 1644 CG ARG A 112 2.710 -7.898 1.356 1.00 0.00 C ATOM 1645 CD ARG A 112 3.502 -8.992 0.637 1.00 0.00 C ATOM 1646 NE ARG A 112 4.941 -8.873 0.962 1.00 0.00 N ATOM 1647 CZ ARG A 112 5.827 -9.869 0.827 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.427 -11.064 0.371 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.113 -9.670 1.147 1.00 0.00 N ATOM 0 H ARG A 112 0.843 -5.122 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 112 2.085 -7.567 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.669 -7.211 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.850 -8.776 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.225 -6.943 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.662 -8.120 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.134 -9.974 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.356 -8.910 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 112 5.280 -7.976 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.448 -11.215 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.101 -11.822 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.417 -8.760 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.787 -10.428 1.044 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.317 -8.553 -1.630 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.572 -8.890 -2.280 1.00 0.00 C ATOM 1665 C TRP A 113 -2.162 -10.108 -1.566 1.00 0.00 C ATOM 1666 O TRP A 113 -1.426 -10.935 -1.031 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.370 -9.116 -3.780 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.462 -9.964 -4.434 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.800 -11.231 -4.157 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.352 -9.552 -5.493 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.838 -11.664 -4.957 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.185 -10.610 -5.795 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.450 -8.325 -6.173 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.175 -10.549 -6.783 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.444 -8.280 -7.158 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.291 -9.337 -7.474 1.00 0.00 C ATOM 0 H TRP A 113 0.319 -9.339 -1.497 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.280 -8.065 -2.203 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.327 -8.149 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.406 -9.599 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.320 -11.837 -3.403 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.271 -12.587 -4.937 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.809 -7.484 -5.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.815 -11.392 -7.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.561 -7.360 -7.711 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.035 -9.223 -8.249 1.00 0.00 H new ATOM 1687 N SER A 114 -3.485 -10.179 -1.581 1.00 0.00 N ATOM 1688 CA SER A 114 -4.182 -11.282 -0.941 1.00 0.00 C ATOM 1689 C SER A 114 -4.660 -12.281 -1.997 1.00 0.00 C ATOM 1690 O SER A 114 -5.328 -11.902 -2.958 1.00 0.00 O ATOM 1691 CB SER A 114 -5.366 -10.778 -0.113 1.00 0.00 C ATOM 1692 OG SER A 114 -5.785 -11.736 0.856 1.00 0.00 O ATOM 0 H SER A 114 -4.093 -9.491 -2.026 1.00 0.00 H new ATOM 0 HA SER A 114 -3.487 -11.781 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.089 -9.851 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.199 -10.544 -0.776 1.00 0.00 H new ATOM 0 HG SER A 114 -6.541 -11.377 1.365 1.00 0.00 H new