USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= 1.43 K(o=2,f=-0.78) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.539 K(o=2,f=0.43) USER MOD Set 2.1: A 29 GLN : amide:sc= 1.26 K(o=3.2,f=-9.2!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 154:sc= 1.96 (180deg=0.179) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.803 K(o=0.73,f=-0.21) USER MOD Set 3.2: A 63 GLN : amide:sc= -0.0719 K(o=0.73,f=-0.081) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.07! C(o=-2.1!,f=-1.8!) USER MOD Single : A 34 SER OG : rot 68:sc= 0.97 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.23) USER MOD Single : A 41 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.916 K(o=0.92,f=-0.05) USER MOD Single : A 56 CYS SG : rot 130:sc= 0.346 USER MOD Single : A 58 HIS : no HE2:sc= 0.529 K(o=1.7,f=-8.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.366 K(o=0.37,f=-2.1!) USER MOD Single : A 68 ASN : amide:sc= -0.571 K(o=-0.57,f=0.041) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 86:sc= 1.01 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 107 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.5) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.856 11.362 -4.783 1.00 0.00 N ATOM 244 CA LEU A 16 0.130 10.857 -3.853 1.00 0.00 C ATOM 245 C LEU A 16 0.282 9.339 -4.042 1.00 0.00 C ATOM 246 O LEU A 16 1.373 8.799 -3.867 1.00 0.00 O ATOM 247 CB LEU A 16 -0.427 11.247 -2.477 1.00 0.00 C ATOM 248 CG LEU A 16 0.411 10.881 -1.253 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.533 11.908 -1.091 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.508 10.934 -0.027 1.00 0.00 C ATOM 0 HA LEU A 16 1.132 11.264 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.582 12.326 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.407 10.783 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 16 0.846 9.888 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.136 11.654 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.162 11.903 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.102 12.900 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.062 10.677 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.915 11.939 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.325 10.223 -0.153 1.00 0.00 H new ATOM 262 N ALA A 17 -0.795 8.647 -4.452 1.00 0.00 N ATOM 263 CA ALA A 17 -0.771 7.222 -4.754 1.00 0.00 C ATOM 264 C ALA A 17 0.184 6.912 -5.899 1.00 0.00 C ATOM 265 O ALA A 17 0.895 5.917 -5.825 1.00 0.00 O ATOM 266 CB ALA A 17 -2.171 6.681 -5.079 1.00 0.00 C ATOM 0 H ALA A 17 -1.712 9.074 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.413 6.720 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.107 5.615 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.829 6.837 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.572 7.206 -5.946 1.00 0.00 H new ATOM 272 N ALA A 18 0.200 7.751 -6.938 1.00 0.00 N ATOM 273 CA ALA A 18 1.037 7.541 -8.107 1.00 0.00 C ATOM 274 C ALA A 18 2.516 7.562 -7.718 1.00 0.00 C ATOM 275 O ALA A 18 3.293 6.780 -8.251 1.00 0.00 O ATOM 276 CB ALA A 18 0.731 8.609 -9.161 1.00 0.00 C ATOM 0 H ALA A 18 -0.371 8.595 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 18 0.818 6.561 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.361 8.448 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.317 8.543 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.932 9.597 -8.747 1.00 0.00 H new ATOM 282 N GLU A 19 2.907 8.429 -6.782 1.00 0.00 N ATOM 283 CA GLU A 19 4.298 8.533 -6.352 1.00 0.00 C ATOM 284 C GLU A 19 4.683 7.358 -5.449 1.00 0.00 C ATOM 285 O GLU A 19 5.806 6.866 -5.538 1.00 0.00 O ATOM 286 CB GLU A 19 4.553 9.900 -5.710 1.00 0.00 C ATOM 287 CG GLU A 19 4.409 10.990 -6.782 1.00 0.00 C ATOM 288 CD GLU A 19 5.033 12.311 -6.351 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.277 12.429 -6.432 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.253 13.234 -6.012 1.00 0.00 O ATOM 0 H GLU A 19 2.274 9.072 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 19 4.950 8.467 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.845 10.073 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.551 9.931 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.880 10.653 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.352 11.144 -7.001 1.00 0.00 H new ATOM 297 N ALA A 20 3.773 6.879 -4.595 1.00 0.00 N ATOM 298 CA ALA A 20 4.001 5.682 -3.800 1.00 0.00 C ATOM 299 C ALA A 20 4.149 4.468 -4.714 1.00 0.00 C ATOM 300 O ALA A 20 5.024 3.638 -4.497 1.00 0.00 O ATOM 301 CB ALA A 20 2.839 5.501 -2.822 1.00 0.00 C ATOM 0 H ALA A 20 2.863 7.313 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 20 4.925 5.784 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.004 4.605 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.777 6.370 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.907 5.399 -3.379 1.00 0.00 H new ATOM 307 N ILE A 21 3.318 4.384 -5.752 1.00 0.00 N ATOM 308 CA ILE A 21 3.393 3.361 -6.784 1.00 0.00 C ATOM 309 C ILE A 21 4.724 3.448 -7.516 1.00 0.00 C ATOM 310 O ILE A 21 5.350 2.420 -7.752 1.00 0.00 O ATOM 311 CB ILE A 21 2.169 3.506 -7.719 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.939 2.897 -7.018 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.421 2.871 -9.093 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.395 3.260 -7.668 1.00 0.00 C ATOM 0 H ILE A 21 2.555 5.045 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 21 3.356 2.364 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 21 1.985 4.563 -7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.041 1.812 -7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.926 3.227 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.537 2.995 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.273 3.358 -9.568 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.632 1.809 -8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.209 2.792 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.523 4.342 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.406 2.905 -8.699 1.00 0.00 H new ATOM 326 N GLU A 22 5.178 4.656 -7.846 1.00 0.00 N ATOM 327 CA GLU A 22 6.430 4.850 -8.558 1.00 0.00 C ATOM 328 C GLU A 22 7.609 4.349 -7.700 1.00 0.00 C ATOM 329 O GLU A 22 8.692 4.098 -8.230 1.00 0.00 O ATOM 330 CB GLU A 22 6.537 6.346 -8.915 1.00 0.00 C ATOM 331 CG GLU A 22 7.781 6.753 -9.714 1.00 0.00 C ATOM 332 CD GLU A 22 7.671 6.334 -11.182 1.00 0.00 C ATOM 333 OE1 GLU A 22 6.942 5.375 -11.524 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.219 7.054 -12.050 1.00 0.00 O ATOM 0 H GLU A 22 4.687 5.522 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 22 6.461 4.270 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.653 6.628 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.517 6.923 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.916 7.833 -9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.665 6.295 -9.270 1.00 0.00 H new ATOM 341 N ARG A 23 7.399 4.151 -6.392 1.00 0.00 N ATOM 342 CA ARG A 23 8.400 3.677 -5.451 1.00 0.00 C ATOM 343 C ARG A 23 8.189 2.225 -5.029 1.00 0.00 C ATOM 344 O ARG A 23 9.117 1.652 -4.454 1.00 0.00 O ATOM 345 CB ARG A 23 8.391 4.622 -4.239 1.00 0.00 C ATOM 346 CG ARG A 23 9.741 4.611 -3.516 1.00 0.00 C ATOM 347 CD ARG A 23 10.014 5.964 -2.861 1.00 0.00 C ATOM 348 NE ARG A 23 11.406 6.065 -2.410 1.00 0.00 N ATOM 349 CZ ARG A 23 11.863 6.933 -1.503 1.00 0.00 C ATOM 350 NH1 ARG A 23 11.067 7.878 -1.016 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.118 6.840 -1.089 1.00 0.00 N ATOM 0 H ARG A 23 6.495 4.325 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 23 9.374 3.689 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.160 5.635 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.603 4.323 -3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.747 3.827 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.536 4.377 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.800 6.764 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.343 6.102 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 23 12.080 5.420 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.100 7.944 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.422 8.537 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.725 6.111 -1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.477 7.498 -0.397 1.00 0.00 H new ATOM 365 N ASP A 24 7.036 1.611 -5.306 1.00 0.00 N ATOM 366 CA ASP A 24 6.696 0.268 -4.840 1.00 0.00 C ATOM 367 C ASP A 24 6.122 -0.565 -5.984 1.00 0.00 C ATOM 368 O ASP A 24 4.954 -0.376 -6.342 1.00 0.00 O ATOM 369 CB ASP A 24 5.683 0.286 -3.684 1.00 0.00 C ATOM 370 CG ASP A 24 5.451 -1.132 -3.118 1.00 0.00 C ATOM 371 OD1 ASP A 24 6.162 -2.085 -3.517 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.536 -1.320 -2.284 1.00 0.00 O ATOM 0 H ASP A 24 6.302 2.041 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 24 7.622 -0.176 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.044 0.941 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.737 0.700 -4.033 1.00 0.00 H new ATOM 377 N PRO A 25 6.867 -1.536 -6.540 1.00 0.00 N ATOM 378 CA PRO A 25 6.327 -2.394 -7.579 1.00 0.00 C ATOM 379 C PRO A 25 5.113 -3.197 -7.106 1.00 0.00 C ATOM 380 O PRO A 25 4.298 -3.567 -7.950 1.00 0.00 O ATOM 381 CB PRO A 25 7.478 -3.292 -8.027 1.00 0.00 C ATOM 382 CG PRO A 25 8.425 -3.303 -6.833 1.00 0.00 C ATOM 383 CD PRO A 25 8.239 -1.910 -6.230 1.00 0.00 C ATOM 0 HA PRO A 25 5.949 -1.800 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.130 -4.296 -8.269 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.966 -2.900 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.168 -4.088 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.457 -3.476 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.410 -1.922 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.946 -1.199 -6.657 1.00 0.00 H new ATOM 391 N TRP A 26 4.934 -3.478 -5.807 1.00 0.00 N ATOM 392 CA TRP A 26 3.710 -4.134 -5.357 1.00 0.00 C ATOM 393 C TRP A 26 2.534 -3.162 -5.420 1.00 0.00 C ATOM 394 O TRP A 26 1.454 -3.563 -5.847 1.00 0.00 O ATOM 395 CB TRP A 26 3.868 -4.748 -3.966 1.00 0.00 C ATOM 396 CG TRP A 26 2.585 -5.273 -3.392 1.00 0.00 C ATOM 397 CD1 TRP A 26 2.001 -4.834 -2.259 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.693 -6.300 -3.917 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.802 -5.494 -2.054 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.572 -6.433 -3.042 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.746 -7.164 -5.029 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.435 -7.392 -3.261 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.784 -8.166 -5.225 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.309 -8.274 -4.350 1.00 0.00 C ATOM 0 H TRP A 26 5.606 -3.265 -5.070 1.00 0.00 H new ATOM 0 HA TRP A 26 3.502 -4.962 -6.035 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.593 -5.560 -4.017 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.278 -3.997 -3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.410 -4.077 -1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.170 -5.311 -1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.545 -7.052 -5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.290 -7.450 -2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.884 -8.855 -6.050 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.056 -9.037 -4.514 1.00 0.00 H new ATOM 415 N ALA A 27 2.707 -1.888 -5.059 1.00 0.00 N ATOM 416 CA ALA A 27 1.644 -0.908 -5.234 1.00 0.00 C ATOM 417 C ALA A 27 1.338 -0.740 -6.730 1.00 0.00 C ATOM 418 O ALA A 27 0.170 -0.620 -7.109 1.00 0.00 O ATOM 419 CB ALA A 27 2.038 0.430 -4.610 1.00 0.00 C ATOM 0 H ALA A 27 3.565 -1.518 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 27 0.747 -1.263 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.231 1.149 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.221 0.294 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.943 0.802 -5.089 1.00 0.00 H new ATOM 425 N ALA A 28 2.362 -0.766 -7.593 1.00 0.00 N ATOM 426 CA ALA A 28 2.175 -0.712 -9.037 1.00 0.00 C ATOM 427 C ALA A 28 1.340 -1.908 -9.492 1.00 0.00 C ATOM 428 O ALA A 28 0.424 -1.767 -10.307 1.00 0.00 O ATOM 429 CB ALA A 28 3.530 -0.687 -9.760 1.00 0.00 C ATOM 0 H ALA A 28 3.339 -0.825 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 28 1.645 0.206 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.367 -0.647 -10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.094 0.191 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.092 -1.587 -9.511 1.00 0.00 H new ATOM 435 N GLN A 29 1.635 -3.090 -8.951 1.00 0.00 N ATOM 436 CA GLN A 29 0.854 -4.295 -9.184 1.00 0.00 C ATOM 437 C GLN A 29 -0.583 -4.061 -8.712 1.00 0.00 C ATOM 438 O GLN A 29 -1.490 -4.330 -9.490 1.00 0.00 O ATOM 439 CB GLN A 29 1.511 -5.515 -8.520 1.00 0.00 C ATOM 440 CG GLN A 29 2.740 -6.007 -9.293 1.00 0.00 C ATOM 441 CD GLN A 29 3.617 -6.897 -8.422 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.286 -8.034 -8.095 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.741 -6.372 -7.983 1.00 0.00 N ATOM 0 H GLN A 29 2.433 -3.235 -8.332 1.00 0.00 H new ATOM 0 HA GLN A 29 0.824 -4.517 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.804 -5.258 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.783 -6.323 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.420 -6.559 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.319 -5.152 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.005 -5.427 -8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.348 -6.910 -7.364 1.00 0.00 H new ATOM 452 N VAL A 30 -0.820 -3.487 -7.523 1.00 0.00 N ATOM 453 CA VAL A 30 -2.167 -3.249 -6.986 1.00 0.00 C ATOM 454 C VAL A 30 -2.982 -2.418 -7.979 1.00 0.00 C ATOM 455 O VAL A 30 -4.151 -2.722 -8.229 1.00 0.00 O ATOM 456 CB VAL A 30 -2.098 -2.615 -5.567 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.430 -2.020 -5.084 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.660 -3.639 -4.507 1.00 0.00 C ATOM 0 H VAL A 30 -0.075 -3.172 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.684 -4.201 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.367 -1.814 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.300 -1.598 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.749 -1.236 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.187 -2.803 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.624 -3.158 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.374 -4.463 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.672 -4.023 -4.759 1.00 0.00 H new ATOM 468 N SER A 31 -2.350 -1.423 -8.600 1.00 0.00 N ATOM 469 CA SER A 31 -2.998 -0.543 -9.552 1.00 0.00 C ATOM 470 C SER A 31 -3.442 -1.299 -10.801 1.00 0.00 C ATOM 471 O SER A 31 -4.449 -0.934 -11.408 1.00 0.00 O ATOM 472 CB SER A 31 -2.025 0.596 -9.883 1.00 0.00 C ATOM 473 OG SER A 31 -2.650 1.640 -10.604 1.00 0.00 O ATOM 0 H SER A 31 -1.364 -1.209 -8.450 1.00 0.00 H new ATOM 0 HA SER A 31 -3.908 -0.128 -9.118 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.607 0.995 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.192 0.202 -10.466 1.00 0.00 H new ATOM 0 HG SER A 31 -1.996 2.345 -10.793 1.00 0.00 H new ATOM 479 N GLN A 32 -2.719 -2.353 -11.176 1.00 0.00 N ATOM 480 CA GLN A 32 -3.080 -3.204 -12.293 1.00 0.00 C ATOM 481 C GLN A 32 -4.118 -4.232 -11.827 1.00 0.00 C ATOM 482 O GLN A 32 -5.054 -4.532 -12.570 1.00 0.00 O ATOM 483 CB GLN A 32 -1.796 -3.850 -12.833 1.00 0.00 C ATOM 484 CG GLN A 32 -2.049 -4.754 -14.043 1.00 0.00 C ATOM 485 CD GLN A 32 -0.802 -5.448 -14.599 1.00 0.00 C ATOM 486 OE1 GLN A 32 -0.919 -6.493 -15.231 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.404 -4.942 -14.385 1.00 0.00 N ATOM 0 H GLN A 32 -1.860 -2.637 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.538 -2.638 -13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.090 -3.067 -13.111 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.328 -4.434 -12.041 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.777 -5.516 -13.764 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.500 -4.158 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.507 -4.073 -13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.229 -5.421 -14.745 1.00 0.00 H new ATOM 496 N LEU A 33 -4.005 -4.748 -10.597 1.00 0.00 N ATOM 497 CA LEU A 33 -4.855 -5.824 -10.076 1.00 0.00 C ATOM 498 C LEU A 33 -6.308 -5.384 -9.956 1.00 0.00 C ATOM 499 O LEU A 33 -7.203 -6.233 -9.925 1.00 0.00 O ATOM 500 CB LEU A 33 -4.361 -6.344 -8.713 1.00 0.00 C ATOM 501 CG LEU A 33 -3.030 -7.117 -8.681 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.019 -8.122 -7.526 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.714 -7.836 -9.990 1.00 0.00 C ATOM 0 H LEU A 33 -3.309 -4.424 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.791 -6.637 -10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.269 -5.490 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.135 -6.992 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.252 -6.369 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.070 -8.659 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.142 -7.592 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.836 -8.832 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.763 -8.360 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.504 -8.554 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.650 -7.108 -10.799 1.00 0.00 H new ATOM 515 N SER A 34 -6.537 -4.073 -9.948 1.00 0.00 N ATOM 516 CA SER A 34 -7.850 -3.439 -9.975 1.00 0.00 C ATOM 517 C SER A 34 -8.788 -4.027 -8.909 1.00 0.00 C ATOM 518 O SER A 34 -9.941 -4.356 -9.198 1.00 0.00 O ATOM 519 CB SER A 34 -8.417 -3.543 -11.403 1.00 0.00 C ATOM 520 OG SER A 34 -7.476 -3.122 -12.385 1.00 0.00 O ATOM 0 H SER A 34 -5.776 -3.394 -9.921 1.00 0.00 H new ATOM 0 HA SER A 34 -7.757 -2.384 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.711 -4.574 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.318 -2.934 -11.480 1.00 0.00 H new ATOM 0 HG SER A 34 -6.731 -3.758 -12.419 1.00 0.00 H new ATOM 526 N LEU A 35 -8.283 -4.232 -7.683 1.00 0.00 N ATOM 527 CA LEU A 35 -9.045 -4.903 -6.634 1.00 0.00 C ATOM 528 C LEU A 35 -10.353 -4.145 -6.362 1.00 0.00 C ATOM 529 O LEU A 35 -10.319 -2.914 -6.324 1.00 0.00 O ATOM 530 CB LEU A 35 -8.248 -5.038 -5.324 1.00 0.00 C ATOM 531 CG LEU A 35 -7.027 -5.979 -5.277 1.00 0.00 C ATOM 532 CD1 LEU A 35 -7.182 -7.252 -6.117 1.00 0.00 C ATOM 533 CD2 LEU A 35 -5.748 -5.230 -5.643 1.00 0.00 C ATOM 0 H LEU A 35 -7.348 -3.940 -7.399 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.264 -5.908 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.905 -4.042 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.943 -5.364 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.958 -6.320 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.280 -7.858 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.039 -7.822 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.337 -6.982 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.901 -5.915 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.839 -4.825 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.589 -4.415 -4.937 1.00 0.00 H new ATOM 545 N PRO A 36 -11.486 -4.840 -6.132 1.00 0.00 N ATOM 546 CA PRO A 36 -12.788 -4.214 -5.913 1.00 0.00 C ATOM 547 C PRO A 36 -12.758 -3.225 -4.738 1.00 0.00 C ATOM 548 O PRO A 36 -12.737 -2.021 -4.997 1.00 0.00 O ATOM 549 CB PRO A 36 -13.819 -5.345 -5.823 1.00 0.00 C ATOM 550 CG PRO A 36 -12.984 -6.615 -5.644 1.00 0.00 C ATOM 551 CD PRO A 36 -11.646 -6.277 -6.284 1.00 0.00 C ATOM 0 HA PRO A 36 -13.081 -3.571 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.499 -5.196 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.431 -5.396 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.868 -6.870 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.452 -7.471 -6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.833 -6.815 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.632 -6.563 -7.336 1.00 0.00 H new ATOM 559 N LYS A 37 -12.803 -3.645 -3.463 1.00 0.00 N ATOM 560 CA LYS A 37 -12.629 -2.687 -2.359 1.00 0.00 C ATOM 561 C LYS A 37 -12.152 -3.345 -1.079 1.00 0.00 C ATOM 562 O LYS A 37 -11.114 -2.942 -0.569 1.00 0.00 O ATOM 563 CB LYS A 37 -13.884 -1.844 -2.107 1.00 0.00 C ATOM 564 CG LYS A 37 -13.592 -0.549 -1.327 1.00 0.00 C ATOM 565 CD LYS A 37 -12.452 0.363 -1.825 1.00 0.00 C ATOM 566 CE LYS A 37 -12.555 0.779 -3.298 1.00 0.00 C ATOM 567 NZ LYS A 37 -11.493 1.736 -3.680 1.00 0.00 N ATOM 0 H LYS A 37 -12.954 -4.612 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.840 -2.010 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.343 -1.590 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.610 -2.439 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.507 0.042 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.371 -0.825 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.430 1.262 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.503 -0.151 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.489 -0.107 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.531 1.229 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.471 1.835 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.688 2.662 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.573 1.385 -3.346 1.00 0.00 H new ATOM 581 N LEU A 38 -12.853 -4.352 -0.565 1.00 0.00 N ATOM 582 CA LEU A 38 -12.361 -5.113 0.590 1.00 0.00 C ATOM 583 C LEU A 38 -11.016 -5.734 0.214 1.00 0.00 C ATOM 584 O LEU A 38 -10.046 -5.627 0.959 1.00 0.00 O ATOM 585 CB LEU A 38 -13.369 -6.190 1.036 1.00 0.00 C ATOM 586 CG LEU A 38 -12.806 -7.192 2.072 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.275 -6.511 3.337 1.00 0.00 C ATOM 588 CD2 LEU A 38 -13.906 -8.171 2.486 1.00 0.00 C ATOM 0 H LEU A 38 -13.756 -4.662 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.236 -4.442 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.245 -5.699 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.706 -6.742 0.159 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.973 -7.703 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.894 -7.266 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.471 -5.824 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.081 -5.957 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.509 -8.877 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.736 -7.620 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.258 -8.715 1.609 1.00 0.00 H new ATOM 600 N VAL A 39 -10.935 -6.332 -0.975 1.00 0.00 N ATOM 601 CA VAL A 39 -9.695 -6.930 -1.459 1.00 0.00 C ATOM 602 C VAL A 39 -8.648 -5.839 -1.701 1.00 0.00 C ATOM 603 O VAL A 39 -7.456 -6.107 -1.569 1.00 0.00 O ATOM 604 CB VAL A 39 -9.945 -7.785 -2.719 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.755 -8.710 -3.013 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.207 -8.637 -2.547 1.00 0.00 C ATOM 0 H VAL A 39 -11.719 -6.414 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.306 -7.604 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.074 -7.099 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.964 -9.298 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.859 -8.110 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.596 -9.379 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.368 -9.234 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.086 -9.298 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.066 -7.986 -2.385 1.00 0.00 H new ATOM 616 N GLU A 40 -9.069 -4.606 -2.008 1.00 0.00 N ATOM 617 CA GLU A 40 -8.128 -3.503 -2.132 1.00 0.00 C ATOM 618 C GLU A 40 -7.586 -3.215 -0.731 1.00 0.00 C ATOM 619 O GLU A 40 -6.377 -3.166 -0.581 1.00 0.00 O ATOM 620 CB GLU A 40 -8.758 -2.266 -2.798 1.00 0.00 C ATOM 621 CG GLU A 40 -7.727 -1.143 -2.946 1.00 0.00 C ATOM 622 CD GLU A 40 -8.319 0.116 -3.574 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.962 0.908 -2.848 1.00 0.00 O ATOM 624 OE2 GLU A 40 -8.072 0.400 -4.767 1.00 0.00 O ATOM 0 H GLU A 40 -10.044 -4.356 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.308 -3.776 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.151 -2.536 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.601 -1.916 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.318 -0.898 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.897 -1.495 -3.559 1.00 0.00 H new ATOM 631 N GLN A 41 -8.431 -3.112 0.305 1.00 0.00 N ATOM 632 CA GLN A 41 -7.993 -2.903 1.684 1.00 0.00 C ATOM 633 C GLN A 41 -7.028 -4.007 2.135 1.00 0.00 C ATOM 634 O GLN A 41 -6.106 -3.721 2.893 1.00 0.00 O ATOM 635 CB GLN A 41 -9.203 -2.783 2.637 1.00 0.00 C ATOM 636 CG GLN A 41 -8.825 -2.140 3.984 1.00 0.00 C ATOM 637 CD GLN A 41 -10.038 -1.596 4.741 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.114 -0.410 5.054 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.041 -2.408 5.019 1.00 0.00 N ATOM 0 H GLN A 41 -9.444 -3.172 0.204 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.448 -1.960 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.981 -2.188 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.622 -3.773 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.316 -2.878 4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.118 -1.329 3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.985 -3.394 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.872 -2.050 5.490 1.00 0.00 H new ATOM 648 N VAL A 42 -7.210 -5.246 1.679 1.00 0.00 N ATOM 649 CA VAL A 42 -6.322 -6.370 1.961 1.00 0.00 C ATOM 650 C VAL A 42 -4.982 -6.197 1.248 1.00 0.00 C ATOM 651 O VAL A 42 -3.939 -6.288 1.900 1.00 0.00 O ATOM 652 CB VAL A 42 -7.044 -7.680 1.589 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.133 -8.907 1.464 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.094 -7.949 2.664 1.00 0.00 C ATOM 0 H VAL A 42 -8.001 -5.501 1.087 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.087 -6.409 3.025 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.474 -7.535 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.731 -9.779 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.388 -8.730 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.631 -9.086 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.625 -8.872 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.605 -8.047 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.802 -7.121 2.696 1.00 0.00 H new ATOM 664 N ALA A 43 -4.984 -5.975 -0.068 1.00 0.00 N ATOM 665 CA ALA A 43 -3.760 -5.793 -0.833 1.00 0.00 C ATOM 666 C ALA A 43 -3.014 -4.528 -0.388 1.00 0.00 C ATOM 667 O ALA A 43 -1.790 -4.476 -0.474 1.00 0.00 O ATOM 668 CB ALA A 43 -4.097 -5.744 -2.326 1.00 0.00 C ATOM 0 H ALA A 43 -5.835 -5.917 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.096 -6.637 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.181 -5.608 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.576 -6.677 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.774 -4.912 -2.519 1.00 0.00 H new ATOM 674 N LEU A 44 -3.753 -3.528 0.101 1.00 0.00 N ATOM 675 CA LEU A 44 -3.259 -2.278 0.648 1.00 0.00 C ATOM 676 C LEU A 44 -2.581 -2.514 1.987 1.00 0.00 C ATOM 677 O LEU A 44 -1.477 -2.023 2.198 1.00 0.00 O ATOM 678 CB LEU A 44 -4.380 -1.236 0.811 1.00 0.00 C ATOM 679 CG LEU A 44 -4.691 -0.408 -0.449 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.859 0.534 -0.126 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.498 0.439 -0.920 1.00 0.00 C ATOM 0 H LEU A 44 -4.771 -3.581 0.123 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.534 -1.882 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.289 -1.750 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.107 -0.554 1.616 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.932 -1.105 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.098 1.132 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.731 -0.053 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.578 1.193 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.779 1.000 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.210 1.133 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.657 -0.214 -1.153 1.00 0.00 H new ATOM 693 N ASN A 45 -3.236 -3.229 2.909 1.00 0.00 N ATOM 694 CA ASN A 45 -2.725 -3.397 4.270 1.00 0.00 C ATOM 695 C ASN A 45 -1.664 -4.491 4.379 1.00 0.00 C ATOM 696 O ASN A 45 -1.315 -4.869 5.504 1.00 0.00 O ATOM 697 CB ASN A 45 -3.883 -3.627 5.258 1.00 0.00 C ATOM 698 CG ASN A 45 -4.505 -2.300 5.658 1.00 0.00 C ATOM 699 OD1 ASN A 45 -3.938 -1.583 6.476 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.630 -1.938 5.076 1.00 0.00 N ATOM 0 H ASN A 45 -4.123 -3.701 2.734 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.221 -2.468 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.638 -4.267 4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.517 -4.147 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.054 -1.038 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.077 -2.557 4.400 1.00 0.00 H new ATOM 707 N ALA A 46 -1.149 -5.003 3.257 1.00 0.00 N ATOM 708 CA ALA A 46 -0.145 -6.043 3.227 1.00 0.00 C ATOM 709 C ALA A 46 0.956 -5.702 2.234 1.00 0.00 C ATOM 710 O ALA A 46 0.683 -5.123 1.188 1.00 0.00 O ATOM 711 CB ALA A 46 -0.803 -7.357 2.812 1.00 0.00 C ATOM 0 H ALA A 46 -1.433 -4.691 2.328 1.00 0.00 H new ATOM 0 HA ALA A 46 0.296 -6.134 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.053 -8.147 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.580 -7.617 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.246 -7.245 1.822 1.00 0.00 H new ATOM 717 N TRP A 47 2.178 -6.142 2.518 1.00 0.00 N ATOM 718 CA TRP A 47 3.311 -6.001 1.612 1.00 0.00 C ATOM 719 C TRP A 47 3.607 -7.371 1.023 1.00 0.00 C ATOM 720 O TRP A 47 3.334 -8.404 1.637 1.00 0.00 O ATOM 721 CB TRP A 47 4.528 -5.412 2.324 1.00 0.00 C ATOM 722 CG TRP A 47 5.046 -6.161 3.508 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.601 -6.016 4.777 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.108 -7.166 3.560 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.403 -6.761 5.615 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.346 -7.483 4.928 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.897 -7.844 2.607 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.343 -8.374 5.342 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.862 -8.790 3.008 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.103 -9.035 4.370 1.00 0.00 C ATOM 0 H TRP A 47 2.411 -6.611 3.393 1.00 0.00 H new ATOM 0 HA TRP A 47 3.067 -5.302 0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.336 -5.324 1.598 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.277 -4.401 2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.757 -5.416 5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.306 -6.774 6.630 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.760 -7.635 1.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.523 -8.548 6.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.422 -9.332 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.873 -9.732 4.667 1.00 0.00 H new ATOM 741 N LYS A 48 4.171 -7.383 -0.178 1.00 0.00 N ATOM 742 CA LYS A 48 4.385 -8.600 -0.938 1.00 0.00 C ATOM 743 C LYS A 48 5.800 -9.141 -0.814 1.00 0.00 C ATOM 744 O LYS A 48 6.768 -8.416 -1.053 1.00 0.00 O ATOM 745 CB LYS A 48 4.034 -8.257 -2.394 1.00 0.00 C ATOM 746 CG LYS A 48 4.173 -9.383 -3.427 1.00 0.00 C ATOM 747 CD LYS A 48 4.812 -8.938 -4.752 1.00 0.00 C ATOM 748 CE LYS A 48 4.604 -9.997 -5.842 1.00 0.00 C ATOM 749 NZ LYS A 48 5.306 -9.682 -7.105 1.00 0.00 N ATOM 0 H LYS A 48 4.494 -6.540 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 48 3.756 -9.401 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.005 -7.899 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.668 -7.428 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.773 -10.185 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.186 -9.798 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.376 -7.991 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.878 -8.765 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.951 -10.962 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.537 -10.097 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.507 -10.563 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.706 -9.068 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.199 -9.193 -6.893 1.00 0.00 H new ATOM 763 N GLU A 49 5.892 -10.411 -0.444 1.00 0.00 N ATOM 764 CA GLU A 49 7.100 -11.215 -0.393 1.00 0.00 C ATOM 765 C GLU A 49 6.902 -12.100 -1.615 1.00 0.00 C ATOM 766 O GLU A 49 5.858 -12.749 -1.716 1.00 0.00 O ATOM 767 CB GLU A 49 7.151 -12.075 0.882 1.00 0.00 C ATOM 768 CG GLU A 49 8.096 -13.292 0.799 1.00 0.00 C ATOM 769 CD GLU A 49 7.868 -14.209 1.994 1.00 0.00 C ATOM 770 OE1 GLU A 49 8.205 -13.798 3.126 1.00 0.00 O ATOM 771 OE2 GLU A 49 7.267 -15.298 1.856 1.00 0.00 O ATOM 0 H GLU A 49 5.069 -10.939 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 49 8.022 -10.633 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.462 -11.446 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.145 -12.428 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.920 -13.838 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.133 -12.957 0.779 1.00 0.00 H new ATOM 778 N GLU A 50 7.855 -12.141 -2.540 1.00 0.00 N ATOM 779 CA GLU A 50 7.788 -13.039 -3.680 1.00 0.00 C ATOM 780 C GLU A 50 8.959 -14.012 -3.602 1.00 0.00 C ATOM 781 O GLU A 50 10.126 -13.605 -3.596 1.00 0.00 O ATOM 782 CB GLU A 50 7.685 -12.234 -4.977 1.00 0.00 C ATOM 783 CG GLU A 50 7.725 -13.132 -6.217 1.00 0.00 C ATOM 784 CD GLU A 50 7.165 -12.421 -7.447 1.00 0.00 C ATOM 785 OE1 GLU A 50 5.924 -12.404 -7.623 1.00 0.00 O ATOM 786 OE2 GLU A 50 7.947 -11.833 -8.226 1.00 0.00 O ATOM 0 H GLU A 50 8.690 -11.555 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 50 6.886 -13.650 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.758 -11.661 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.504 -11.516 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.753 -13.440 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.151 -14.039 -6.028 1.00 0.00 H new ATOM 793 N SER A 51 8.622 -15.289 -3.441 1.00 0.00 N ATOM 794 CA SER A 51 9.535 -16.413 -3.469 1.00 0.00 C ATOM 795 C SER A 51 9.747 -16.750 -4.952 1.00 0.00 C ATOM 796 O SER A 51 9.117 -16.148 -5.831 1.00 0.00 O ATOM 797 CB SER A 51 8.882 -17.561 -2.682 1.00 0.00 C ATOM 798 OG SER A 51 9.738 -18.671 -2.492 1.00 0.00 O ATOM 0 H SER A 51 7.656 -15.575 -3.280 1.00 0.00 H new ATOM 0 HA SER A 51 10.503 -16.212 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.562 -17.188 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.986 -17.889 -3.209 1.00 0.00 H new ATOM 0 HG SER A 51 9.267 -19.365 -1.985 1.00 0.00 H new ATOM 804 N ASP A 52 10.592 -17.737 -5.242 1.00 0.00 N ATOM 805 CA ASP A 52 10.993 -18.110 -6.600 1.00 0.00 C ATOM 806 C ASP A 52 9.797 -18.282 -7.532 1.00 0.00 C ATOM 807 O ASP A 52 9.878 -17.859 -8.686 1.00 0.00 O ATOM 808 CB ASP A 52 11.834 -19.395 -6.603 1.00 0.00 C ATOM 809 CG ASP A 52 13.311 -19.162 -6.293 1.00 0.00 C ATOM 810 OD1 ASP A 52 13.879 -18.123 -6.690 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.931 -20.049 -5.662 1.00 0.00 O ATOM 0 H ASP A 52 11.028 -18.314 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 52 11.599 -17.285 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.423 -20.089 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.748 -19.873 -7.579 1.00 0.00 H new ATOM 816 N ASN A 53 8.678 -18.842 -7.055 1.00 0.00 N ATOM 817 CA ASN A 53 7.462 -18.966 -7.858 1.00 0.00 C ATOM 818 C ASN A 53 6.175 -18.812 -7.027 1.00 0.00 C ATOM 819 O ASN A 53 5.120 -19.317 -7.419 1.00 0.00 O ATOM 820 CB ASN A 53 7.504 -20.287 -8.652 1.00 0.00 C ATOM 821 CG ASN A 53 6.822 -20.139 -10.005 1.00 0.00 C ATOM 822 OD1 ASN A 53 7.468 -20.199 -11.050 1.00 0.00 O ATOM 823 ND2 ASN A 53 5.517 -19.944 -10.046 1.00 0.00 N ATOM 0 H ASN A 53 8.593 -19.218 -6.110 1.00 0.00 H new ATOM 0 HA ASN A 53 7.434 -18.137 -8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.540 -20.595 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.014 -21.074 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.044 -19.843 -10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.981 -19.894 -9.179 1.00 0.00 H new ATOM 830 N ALA A 54 6.221 -18.146 -5.867 1.00 0.00 N ATOM 831 CA ALA A 54 5.050 -17.970 -5.012 1.00 0.00 C ATOM 832 C ALA A 54 5.069 -16.565 -4.426 1.00 0.00 C ATOM 833 O ALA A 54 6.082 -15.873 -4.533 1.00 0.00 O ATOM 834 CB ALA A 54 5.072 -19.021 -3.896 1.00 0.00 C ATOM 0 H ALA A 54 7.070 -17.717 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 54 4.137 -18.099 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.199 -18.891 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.055 -20.018 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.978 -18.902 -3.302 1.00 0.00 H new ATOM 840 N VAL A 55 3.973 -16.140 -3.804 1.00 0.00 N ATOM 841 CA VAL A 55 3.820 -14.810 -3.251 1.00 0.00 C ATOM 842 C VAL A 55 3.081 -14.932 -1.918 1.00 0.00 C ATOM 843 O VAL A 55 1.996 -15.503 -1.844 1.00 0.00 O ATOM 844 CB VAL A 55 3.096 -13.893 -4.260 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.028 -12.469 -3.722 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.842 -13.780 -5.597 1.00 0.00 C ATOM 0 H VAL A 55 3.151 -16.729 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 55 4.789 -14.348 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 55 2.113 -14.340 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.515 -11.832 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.482 -12.462 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.038 -12.093 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.288 -13.123 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.836 -13.368 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.932 -14.768 -6.048 1.00 0.00 H new ATOM 856 N CYS A 56 3.662 -14.381 -0.861 1.00 0.00 N ATOM 857 CA CYS A 56 3.044 -14.294 0.455 1.00 0.00 C ATOM 858 C CYS A 56 2.789 -12.819 0.749 1.00 0.00 C ATOM 859 O CYS A 56 3.729 -12.033 0.867 1.00 0.00 O ATOM 860 CB CYS A 56 3.923 -14.928 1.538 1.00 0.00 C ATOM 861 SG CYS A 56 4.522 -16.563 1.034 1.00 0.00 S ATOM 0 H CYS A 56 4.596 -13.973 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 56 2.107 -14.851 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.772 -14.277 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.354 -15.017 2.464 1.00 0.00 H new ATOM 0 HG CYS A 56 5.809 -16.625 1.205 1.00 0.00 H new ATOM 867 N LEU A 57 1.527 -12.417 0.839 1.00 0.00 N ATOM 868 CA LEU A 57 1.155 -11.065 1.236 1.00 0.00 C ATOM 869 C LEU A 57 1.193 -10.972 2.757 1.00 0.00 C ATOM 870 O LEU A 57 0.332 -11.521 3.436 1.00 0.00 O ATOM 871 CB LEU A 57 -0.214 -10.679 0.645 1.00 0.00 C ATOM 872 CG LEU A 57 -0.087 -9.790 -0.608 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.434 -8.390 -0.253 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.809 -10.426 -1.678 1.00 0.00 C ATOM 0 H LEU A 57 0.730 -13.022 0.638 1.00 0.00 H new ATOM 0 HA LEU A 57 1.868 -10.344 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.764 -11.585 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.798 -10.154 1.401 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.091 -9.695 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.511 -7.790 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.256 -7.911 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.417 -8.474 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.869 -9.765 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.808 -10.582 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.388 -11.384 -1.983 1.00 0.00 H new ATOM 886 N HIS A 58 2.214 -10.315 3.297 1.00 0.00 N ATOM 887 CA HIS A 58 2.367 -10.040 4.722 1.00 0.00 C ATOM 888 C HIS A 58 1.396 -8.932 5.124 1.00 0.00 C ATOM 889 O HIS A 58 1.721 -7.756 4.965 1.00 0.00 O ATOM 890 CB HIS A 58 3.813 -9.618 5.012 1.00 0.00 C ATOM 891 CG HIS A 58 4.845 -10.719 4.983 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.711 -11.029 6.017 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.199 -11.471 3.895 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.566 -11.960 5.563 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.263 -12.260 4.290 1.00 0.00 N ATOM 0 H HIS A 58 2.983 -9.947 2.737 1.00 0.00 H new ATOM 0 HA HIS A 58 2.144 -10.936 5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.101 -8.859 4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.842 -9.146 5.994 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.702 -10.624 6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.737 -11.452 2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.372 -12.399 6.133 1.00 0.00 H new ATOM 904 N LEU A 59 0.219 -9.292 5.632 1.00 0.00 N ATOM 905 CA LEU A 59 -0.831 -8.393 6.107 1.00 0.00 C ATOM 906 C LEU A 59 -0.542 -8.085 7.566 1.00 0.00 C ATOM 907 O LEU A 59 -0.044 -8.943 8.287 1.00 0.00 O ATOM 908 CB LEU A 59 -2.179 -9.148 6.019 1.00 0.00 C ATOM 909 CG LEU A 59 -3.467 -8.334 6.282 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.194 -7.948 4.986 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.434 -9.188 7.108 1.00 0.00 C ATOM 0 H LEU A 59 -0.042 -10.273 5.729 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.869 -7.477 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.255 -9.587 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.150 -9.973 6.731 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.170 -7.423 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.091 -7.378 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.535 -7.341 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.473 -8.851 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.346 -8.623 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.679 -10.096 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.966 -9.453 8.056 1.00 0.00 H new ATOM 923 N ARG A 60 -0.861 -6.883 8.040 1.00 0.00 N ATOM 924 CA ARG A 60 -0.716 -6.595 9.468 1.00 0.00 C ATOM 925 C ARG A 60 -1.645 -7.504 10.259 1.00 0.00 C ATOM 926 O ARG A 60 -2.822 -7.602 9.912 1.00 0.00 O ATOM 927 CB ARG A 60 -1.055 -5.123 9.756 1.00 0.00 C ATOM 928 CG ARG A 60 -0.028 -4.149 9.176 1.00 0.00 C ATOM 929 CD ARG A 60 1.341 -4.217 9.858 1.00 0.00 C ATOM 930 NE ARG A 60 2.377 -3.746 8.935 1.00 0.00 N ATOM 931 CZ ARG A 60 3.253 -4.526 8.299 1.00 0.00 C ATOM 932 NH1 ARG A 60 3.288 -5.840 8.491 1.00 0.00 N ATOM 933 NH2 ARG A 60 4.111 -3.963 7.462 1.00 0.00 N ATOM 0 H ARG A 60 -1.213 -6.110 7.475 1.00 0.00 H new ATOM 0 HA ARG A 60 0.317 -6.776 9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.038 -4.895 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.120 -4.975 10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.095 -4.356 8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.416 -3.134 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.339 -3.606 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.554 -5.240 10.167 1.00 0.00 H new ATOM 0 HE ARG A 60 2.433 -2.742 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.634 -6.278 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.969 -6.411 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.093 -2.954 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.790 -4.539 6.964 1.00 0.00 H new ATOM 947 N SER A 61 -1.178 -8.095 11.360 1.00 0.00 N ATOM 948 CA SER A 61 -2.033 -8.868 12.246 1.00 0.00 C ATOM 949 C SER A 61 -3.189 -8.004 12.765 1.00 0.00 C ATOM 950 O SER A 61 -4.314 -8.488 12.909 1.00 0.00 O ATOM 951 CB SER A 61 -1.218 -9.443 13.400 1.00 0.00 C ATOM 952 OG SER A 61 -0.297 -10.386 12.897 1.00 0.00 O ATOM 0 H SER A 61 -0.203 -8.049 11.656 1.00 0.00 H new ATOM 0 HA SER A 61 -2.460 -9.699 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.690 -8.644 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.879 -9.915 14.127 1.00 0.00 H new ATOM 0 HG SER A 61 0.229 -10.756 13.636 1.00 0.00 H new ATOM 958 N SER A 62 -2.956 -6.703 12.939 1.00 0.00 N ATOM 959 CA SER A 62 -3.966 -5.730 13.352 1.00 0.00 C ATOM 960 C SER A 62 -5.053 -5.540 12.288 1.00 0.00 C ATOM 961 O SER A 62 -6.087 -4.936 12.555 1.00 0.00 O ATOM 962 CB SER A 62 -3.294 -4.389 13.668 1.00 0.00 C ATOM 963 OG SER A 62 -2.267 -4.590 14.616 1.00 0.00 O ATOM 0 H SER A 62 -2.036 -6.287 12.793 1.00 0.00 H new ATOM 0 HA SER A 62 -4.454 -6.117 14.247 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.883 -3.952 12.758 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.029 -3.684 14.056 1.00 0.00 H new ATOM 0 HG SER A 62 -1.836 -3.733 14.817 1.00 0.00 H new ATOM 969 N GLN A 63 -4.856 -6.067 11.082 1.00 0.00 N ATOM 970 CA GLN A 63 -5.760 -5.970 9.941 1.00 0.00 C ATOM 971 C GLN A 63 -6.307 -7.345 9.539 1.00 0.00 C ATOM 972 O GLN A 63 -6.986 -7.456 8.514 1.00 0.00 O ATOM 973 CB GLN A 63 -5.046 -5.241 8.790 1.00 0.00 C ATOM 974 CG GLN A 63 -4.708 -3.785 9.155 1.00 0.00 C ATOM 975 CD GLN A 63 -5.964 -2.931 9.319 1.00 0.00 C ATOM 976 OE1 GLN A 63 -6.581 -2.518 8.342 1.00 0.00 O ATOM 977 NE2 GLN A 63 -6.405 -2.679 10.540 1.00 0.00 N ATOM 0 H GLN A 63 -4.015 -6.602 10.864 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.635 -5.381 10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.130 -5.774 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.679 -5.255 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.134 -3.767 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.075 -3.354 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.889 -3.024 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.261 -2.140 10.672 1.00 0.00 H new ATOM 986 N ARG A 64 -6.128 -8.382 10.373 1.00 0.00 N ATOM 987 CA ARG A 64 -6.569 -9.744 10.046 1.00 0.00 C ATOM 988 C ARG A 64 -8.067 -9.795 9.781 1.00 0.00 C ATOM 989 O ARG A 64 -8.481 -10.634 8.984 1.00 0.00 O ATOM 990 CB ARG A 64 -6.303 -10.688 11.232 1.00 0.00 C ATOM 991 CG ARG A 64 -4.856 -11.166 11.254 1.00 0.00 C ATOM 992 CD ARG A 64 -4.422 -11.721 12.622 1.00 0.00 C ATOM 993 NE ARG A 64 -4.635 -13.169 12.738 1.00 0.00 N ATOM 994 CZ ARG A 64 -5.730 -13.833 13.105 1.00 0.00 C ATOM 995 NH1 ARG A 64 -6.838 -13.205 13.479 1.00 0.00 N ATOM 996 NH2 ARG A 64 -5.695 -15.152 13.095 1.00 0.00 N ATOM 0 H ARG A 64 -5.678 -8.300 11.284 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.015 -10.048 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.531 -10.174 12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.970 -11.548 11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.724 -11.939 10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.202 -10.338 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.367 -11.499 12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.978 -11.212 13.409 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.830 -13.749 12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.867 -12.185 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.660 -13.742 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.844 -15.637 12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.519 -15.686 13.371 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.878 -8.904 10.368 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.319 -8.913 10.117 1.00 0.00 C ATOM 1012 C HIS A 65 -10.669 -8.727 8.640 1.00 0.00 C ATOM 1013 O HIS A 65 -11.794 -9.051 8.263 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.057 -7.859 10.959 1.00 0.00 C ATOM 1015 CG HIS A 65 -12.278 -8.428 11.632 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -12.338 -8.840 12.949 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -13.492 -8.662 11.048 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -13.586 -9.301 13.163 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -14.304 -9.201 12.028 1.00 0.00 N ATOM 0 H HIS A 65 -8.563 -8.178 11.011 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.656 -9.905 10.418 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.380 -7.459 11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.350 -7.026 10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.763 -8.464 10.022 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.954 -9.691 14.101 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.279 -9.476 11.912 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.777 -8.163 7.815 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.041 -7.973 6.393 1.00 0.00 C ATOM 1030 C LEU A 66 -9.592 -9.184 5.578 1.00 0.00 C ATOM 1031 O LEU A 66 -10.169 -9.436 4.528 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.357 -6.707 5.844 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.796 -5.342 6.412 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.292 -5.266 6.738 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -8.997 -4.945 7.656 1.00 0.00 C ATOM 0 H LEU A 66 -8.861 -7.830 8.116 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.120 -7.854 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.285 -6.808 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.512 -6.685 4.765 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.589 -4.636 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.529 -4.278 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.871 -5.443 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.541 -6.023 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.344 -3.977 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.139 -5.695 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.939 -4.880 7.403 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.573 -9.923 6.025 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.032 -11.064 5.291 1.00 0.00 C ATOM 1049 C ASN A 67 -8.990 -12.244 5.371 1.00 0.00 C ATOM 1050 O ASN A 67 -9.231 -12.783 6.454 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.645 -11.440 5.816 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.146 -12.790 5.305 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.595 -13.285 4.279 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.196 -13.392 5.990 1.00 0.00 N ATOM 0 H ASN A 67 -8.100 -9.744 6.911 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.923 -10.784 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.934 -10.666 5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.671 -11.460 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.823 -14.285 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.833 -12.965 6.843 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.621 -12.559 4.251 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.481 -13.719 4.043 1.00 0.00 C ATOM 1063 C ASN A 68 -10.120 -14.453 2.760 1.00 0.00 C ATOM 1064 O ASN A 68 -9.553 -13.859 1.843 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.954 -13.321 4.064 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.381 -12.378 2.946 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -11.973 -11.228 2.907 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.244 -12.805 2.043 1.00 0.00 N ATOM 0 H ASN A 68 -9.544 -11.981 3.414 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.314 -14.409 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.560 -14.225 4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.174 -12.849 5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.571 -12.174 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.584 -13.766 2.077 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.527 -15.719 2.632 1.00 0.00 N ATOM 1076 CA ARG A 69 -10.254 -16.509 1.435 1.00 0.00 C ATOM 1077 C ARG A 69 -10.969 -15.964 0.210 1.00 0.00 C ATOM 1078 O ARG A 69 -10.402 -16.036 -0.873 1.00 0.00 O ATOM 1079 CB ARG A 69 -10.526 -18.003 1.655 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.409 -18.591 2.527 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.410 -20.122 2.565 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.213 -20.594 3.278 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.038 -20.590 4.603 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -9.081 -20.448 5.413 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -6.817 -20.699 5.108 1.00 0.00 N ATOM 0 H ARG A 69 -11.051 -16.219 3.350 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.187 -16.415 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.493 -18.142 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.569 -18.523 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.446 -18.245 2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.512 -18.210 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.310 -20.484 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.424 -20.522 1.551 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.448 -20.957 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.018 -20.342 5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.945 -20.445 6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.014 -20.786 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.681 -20.696 6.119 1.00 0.00 H new ATOM 1099 N GLY A 70 -12.156 -15.371 0.342 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.815 -14.715 -0.781 1.00 0.00 C ATOM 1101 C GLY A 70 -11.912 -13.611 -1.335 1.00 0.00 C ATOM 1102 O GLY A 70 -11.718 -13.518 -2.550 1.00 0.00 O ATOM 0 H GLY A 70 -12.679 -15.333 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.036 -15.443 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.767 -14.293 -0.460 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.314 -12.802 -0.451 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.339 -11.803 -0.852 1.00 0.00 C ATOM 1108 C ALA A 71 -9.114 -12.474 -1.469 1.00 0.00 C ATOM 1109 O ALA A 71 -8.719 -12.069 -2.557 1.00 0.00 O ATOM 1110 CB ALA A 71 -9.962 -10.879 0.315 1.00 0.00 C ATOM 0 H ALA A 71 -11.496 -12.828 0.552 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.793 -11.169 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.231 -10.145 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.853 -10.364 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.534 -11.471 1.124 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.546 -13.504 -0.829 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.387 -14.236 -1.335 1.00 0.00 C ATOM 1118 C GLN A 72 -7.637 -14.726 -2.752 1.00 0.00 C ATOM 1119 O GLN A 72 -6.756 -14.580 -3.583 1.00 0.00 O ATOM 1120 CB GLN A 72 -7.023 -15.406 -0.401 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.798 -16.240 -0.834 1.00 0.00 C ATOM 1122 CD GLN A 72 -6.104 -17.388 -1.813 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.248 -17.781 -2.041 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.081 -17.985 -2.391 1.00 0.00 N ATOM 0 H GLN A 72 -8.886 -13.854 0.067 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.538 -13.553 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.837 -15.008 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.885 -16.069 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.069 -15.574 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.329 -16.658 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.131 -17.663 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.239 -18.769 -3.024 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.815 -15.271 -3.048 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.167 -15.790 -4.355 1.00 0.00 C ATOM 1135 C GLN A 73 -9.161 -14.689 -5.398 1.00 0.00 C ATOM 1136 O GLN A 73 -8.604 -14.859 -6.483 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.560 -16.419 -4.273 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.519 -17.815 -3.661 1.00 0.00 C ATOM 1139 CD GLN A 73 -9.790 -18.797 -4.568 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -10.340 -19.251 -5.575 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -8.551 -19.124 -4.253 1.00 0.00 N ATOM 0 H GLN A 73 -9.566 -15.363 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.431 -16.537 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.212 -15.780 -3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.993 -16.473 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.022 -17.775 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.535 -18.166 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.118 -18.735 -3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.026 -19.765 -4.847 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.799 -13.561 -5.091 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.795 -12.421 -6.003 1.00 0.00 C ATOM 1152 C LYS A 74 -8.354 -11.971 -6.233 1.00 0.00 C ATOM 1153 O LYS A 74 -7.947 -11.780 -7.378 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.684 -11.304 -5.449 1.00 0.00 C ATOM 1155 CG LYS A 74 -10.767 -10.049 -6.339 1.00 0.00 C ATOM 1156 CD LYS A 74 -11.428 -10.289 -7.705 1.00 0.00 C ATOM 1157 CE LYS A 74 -10.431 -10.675 -8.811 1.00 0.00 C ATOM 1158 NZ LYS A 74 -11.116 -10.981 -10.080 1.00 0.00 N ATOM 0 H LYS A 74 -10.320 -13.413 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.212 -12.702 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.690 -11.697 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.310 -11.013 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.325 -9.277 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.760 -9.663 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.172 -11.079 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.960 -9.386 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.725 -9.859 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.851 -11.541 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.412 -11.237 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.771 -11.776 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.649 -10.146 -10.397 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.583 -11.836 -5.156 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.183 -11.448 -5.209 1.00 0.00 C ATOM 1174 C LEU A 75 -5.382 -12.452 -6.048 1.00 0.00 C ATOM 1175 O LEU A 75 -4.523 -12.044 -6.819 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.625 -11.334 -3.771 1.00 0.00 C ATOM 1177 CG LEU A 75 -4.872 -10.031 -3.460 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.487 -10.020 -1.978 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.641 -9.766 -4.325 1.00 0.00 C ATOM 0 H LEU A 75 -7.923 -11.997 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.091 -10.474 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.453 -11.432 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.954 -12.174 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.560 -9.221 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.952 -9.099 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.388 -10.078 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.846 -10.875 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.182 -8.823 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.924 -10.576 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.938 -9.709 -5.372 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.668 -13.751 -5.926 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.936 -14.849 -6.543 1.00 0.00 C ATOM 1193 C ALA A 76 -5.181 -14.885 -8.035 1.00 0.00 C ATOM 1194 O ALA A 76 -4.226 -14.997 -8.795 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.325 -16.182 -5.898 1.00 0.00 C ATOM 0 H ALA A 76 -6.456 -14.076 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.871 -14.686 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.769 -16.991 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.090 -16.154 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.394 -16.351 -6.029 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.434 -14.758 -8.458 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.817 -14.652 -9.858 1.00 0.00 C ATOM 1203 C GLU A 77 -6.139 -13.431 -10.482 1.00 0.00 C ATOM 1204 O GLU A 77 -5.702 -13.469 -11.633 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.347 -14.481 -9.889 1.00 0.00 C ATOM 1206 CG GLU A 77 -9.016 -14.681 -11.250 1.00 0.00 C ATOM 1207 CD GLU A 77 -8.960 -16.124 -11.754 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -8.975 -17.079 -10.944 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -8.903 -16.314 -12.994 1.00 0.00 O ATOM 0 H GLU A 77 -7.229 -14.725 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.514 -15.535 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.786 -15.186 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.588 -13.480 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.058 -14.369 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.535 -14.031 -11.981 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.058 -12.335 -9.725 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.471 -11.094 -10.184 1.00 0.00 C ATOM 1218 C ALA A 78 -3.953 -11.253 -10.330 1.00 0.00 C ATOM 1219 O ALA A 78 -3.425 -10.976 -11.403 1.00 0.00 O ATOM 1220 CB ALA A 78 -5.911 -9.958 -9.254 1.00 0.00 C ATOM 0 H ALA A 78 -6.405 -12.293 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.828 -10.830 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.473 -9.020 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.998 -9.877 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.576 -10.169 -8.238 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.251 -11.750 -9.307 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.806 -11.982 -9.344 1.00 0.00 C ATOM 1228 C LEU A 79 -1.451 -13.017 -10.403 1.00 0.00 C ATOM 1229 O LEU A 79 -0.455 -12.850 -11.096 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.265 -12.433 -7.972 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.282 -11.412 -7.376 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.122 -11.691 -5.881 1.00 0.00 C ATOM 1233 CD2 LEU A 79 1.105 -11.429 -8.033 1.00 0.00 C ATOM 0 H LEU A 79 -3.678 -12.006 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.336 -11.033 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.098 -12.579 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.767 -13.397 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.706 -10.425 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.574 -10.972 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.090 -11.600 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.265 -12.700 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.741 -10.682 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.552 -12.416 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.008 -11.201 -9.095 1.00 0.00 H new ATOM 1245 N SER A 80 -2.260 -14.064 -10.547 1.00 0.00 N ATOM 1246 CA SER A 80 -2.067 -15.097 -11.554 1.00 0.00 C ATOM 1247 C SER A 80 -2.133 -14.494 -12.953 1.00 0.00 C ATOM 1248 O SER A 80 -1.312 -14.825 -13.810 1.00 0.00 O ATOM 1249 CB SER A 80 -3.122 -16.191 -11.358 1.00 0.00 C ATOM 1250 OG SER A 80 -2.836 -16.897 -10.165 1.00 0.00 O ATOM 0 H SER A 80 -3.078 -14.218 -9.958 1.00 0.00 H new ATOM 0 HA SER A 80 -1.079 -15.544 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.117 -15.749 -11.305 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.120 -16.873 -12.209 1.00 0.00 H new ATOM 0 HG SER A 80 -3.235 -16.427 -9.403 1.00 0.00 H new ATOM 1256 N MET A 81 -3.085 -13.595 -13.202 1.00 0.00 N ATOM 1257 CA MET A 81 -3.220 -12.938 -14.497 1.00 0.00 C ATOM 1258 C MET A 81 -2.083 -11.939 -14.712 1.00 0.00 C ATOM 1259 O MET A 81 -1.533 -11.868 -15.809 1.00 0.00 O ATOM 1260 CB MET A 81 -4.587 -12.261 -14.546 1.00 0.00 C ATOM 1261 CG MET A 81 -4.960 -11.682 -15.911 1.00 0.00 C ATOM 1262 SD MET A 81 -5.332 -12.909 -17.188 1.00 0.00 S ATOM 1263 CE MET A 81 -6.337 -11.867 -18.276 1.00 0.00 C ATOM 0 H MET A 81 -3.780 -13.304 -12.514 1.00 0.00 H new ATOM 0 HA MET A 81 -3.153 -13.668 -15.304 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.347 -12.985 -14.253 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.608 -11.459 -13.808 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.827 -11.033 -15.789 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.139 -11.055 -16.259 1.00 0.00 H new ATOM 0 HE1 MET A 81 -6.667 -12.450 -19.135 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.207 -11.502 -17.729 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.743 -11.020 -18.619 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.704 -11.205 -13.664 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.642 -10.210 -13.673 1.00 0.00 C ATOM 1275 C LEU A 82 0.696 -10.875 -13.994 1.00 0.00 C ATOM 1276 O LEU A 82 1.364 -10.476 -14.946 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.664 -9.476 -12.323 1.00 0.00 C ATOM 1278 CG LEU A 82 0.574 -8.597 -12.050 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.199 -7.145 -11.737 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.367 -9.185 -10.876 1.00 0.00 C ATOM 0 H LEU A 82 -2.150 -11.295 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.794 -9.466 -14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.555 -8.850 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.753 -10.213 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 82 1.180 -8.591 -12.956 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.105 -6.567 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.338 -6.717 -12.584 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.437 -7.116 -10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.242 -8.565 -10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.736 -9.211 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.687 -10.197 -11.124 1.00 0.00 H new ATOM 1292 N LYS A 83 1.076 -11.905 -13.241 1.00 0.00 N ATOM 1293 CA LYS A 83 2.289 -12.684 -13.490 1.00 0.00 C ATOM 1294 C LYS A 83 2.163 -13.421 -14.829 1.00 0.00 C ATOM 1295 O LYS A 83 3.164 -13.698 -15.489 1.00 0.00 O ATOM 1296 CB LYS A 83 2.495 -13.628 -12.287 1.00 0.00 C ATOM 1297 CG LYS A 83 3.933 -14.103 -12.022 1.00 0.00 C ATOM 1298 CD LYS A 83 4.472 -15.136 -13.018 1.00 0.00 C ATOM 1299 CE LYS A 83 5.529 -14.495 -13.922 1.00 0.00 C ATOM 1300 NZ LYS A 83 5.908 -15.376 -15.041 1.00 0.00 N ATOM 0 H LYS A 83 0.545 -12.227 -12.432 1.00 0.00 H new ATOM 0 HA LYS A 83 3.171 -12.049 -13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.133 -13.123 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.867 -14.507 -12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.593 -13.235 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.979 -14.529 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.905 -15.979 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.655 -15.530 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.146 -13.554 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.414 -14.257 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.625 -14.903 -15.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.298 -16.265 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.069 -15.583 -15.620 1.00 0.00 H new ATOM 1314 N GLY A 84 0.941 -13.751 -15.247 1.00 0.00 N ATOM 1315 CA GLY A 84 0.648 -14.490 -16.464 1.00 0.00 C ATOM 1316 C GLY A 84 0.817 -15.998 -16.285 1.00 0.00 C ATOM 1317 O GLY A 84 0.674 -16.747 -17.252 1.00 0.00 O ATOM 0 H GLY A 84 0.101 -13.500 -14.725 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.374 -14.276 -16.778 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.306 -14.146 -17.262 1.00 0.00 H new ATOM 1321 N SER A 85 1.121 -16.473 -15.077 1.00 0.00 N ATOM 1322 CA SER A 85 1.196 -17.880 -14.722 1.00 0.00 C ATOM 1323 C SER A 85 0.603 -18.020 -13.317 1.00 0.00 C ATOM 1324 O SER A 85 0.515 -17.028 -12.591 1.00 0.00 O ATOM 1325 CB SER A 85 2.656 -18.350 -14.819 1.00 0.00 C ATOM 1326 OG SER A 85 2.706 -19.733 -15.102 1.00 0.00 O ATOM 0 H SER A 85 1.329 -15.858 -14.290 1.00 0.00 H new ATOM 0 HA SER A 85 0.627 -18.515 -15.401 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.174 -17.793 -15.600 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.175 -18.144 -13.883 1.00 0.00 H new ATOM 0 HG SER A 85 3.641 -20.021 -15.163 1.00 0.00 H new ATOM 1332 N THR A 86 0.171 -19.222 -12.937 1.00 0.00 N ATOM 1333 CA THR A 86 -0.522 -19.470 -11.679 1.00 0.00 C ATOM 1334 C THR A 86 0.435 -19.253 -10.505 1.00 0.00 C ATOM 1335 O THR A 86 1.329 -20.067 -10.256 1.00 0.00 O ATOM 1336 CB THR A 86 -1.119 -20.883 -11.712 1.00 0.00 C ATOM 1337 OG1 THR A 86 -1.856 -21.033 -12.916 1.00 0.00 O ATOM 1338 CG2 THR A 86 -2.052 -21.141 -10.528 1.00 0.00 C ATOM 0 H THR A 86 0.296 -20.061 -13.504 1.00 0.00 H new ATOM 0 HA THR A 86 -1.344 -18.767 -11.544 1.00 0.00 H new ATOM 0 HB THR A 86 -0.299 -21.599 -11.654 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.243 -21.933 -12.953 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.451 -22.153 -10.593 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.497 -21.029 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.874 -20.425 -10.549 1.00 0.00 H new ATOM 1346 N VAL A 87 0.271 -18.135 -9.809 1.00 0.00 N ATOM 1347 CA VAL A 87 1.008 -17.782 -8.603 1.00 0.00 C ATOM 1348 C VAL A 87 0.435 -18.601 -7.449 1.00 0.00 C ATOM 1349 O VAL A 87 -0.750 -18.931 -7.439 1.00 0.00 O ATOM 1350 CB VAL A 87 0.827 -16.264 -8.364 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.423 -15.795 -7.031 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.500 -15.452 -9.479 1.00 0.00 C ATOM 0 H VAL A 87 -0.406 -17.422 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 87 2.073 -17.998 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.250 -16.097 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.265 -14.722 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.936 -16.321 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.492 -16.008 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.360 -14.388 -9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.566 -15.679 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.053 -15.712 -10.439 1.00 0.00 H new ATOM 1362 N GLU A 88 1.270 -18.919 -6.466 1.00 0.00 N ATOM 1363 CA GLU A 88 0.882 -19.567 -5.228 1.00 0.00 C ATOM 1364 C GLU A 88 0.760 -18.399 -4.265 1.00 0.00 C ATOM 1365 O GLU A 88 1.773 -17.943 -3.733 1.00 0.00 O ATOM 1366 CB GLU A 88 1.955 -20.583 -4.807 1.00 0.00 C ATOM 1367 CG GLU A 88 1.661 -21.975 -5.366 1.00 0.00 C ATOM 1368 CD GLU A 88 0.774 -22.746 -4.391 1.00 0.00 C ATOM 1369 OE1 GLU A 88 -0.468 -22.612 -4.463 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.339 -23.443 -3.513 1.00 0.00 O ATOM 0 H GLU A 88 2.270 -18.724 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.041 -20.145 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.931 -20.248 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.006 -20.630 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.167 -21.891 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.593 -22.516 -5.530 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.439 -17.826 -4.143 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.663 -16.624 -3.352 1.00 0.00 C ATOM 1379 C LEU A 89 -1.246 -16.996 -1.998 1.00 0.00 C ATOM 1380 O LEU A 89 -2.319 -17.600 -1.942 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.576 -15.653 -4.104 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.039 -14.452 -3.252 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -0.969 -13.528 -2.677 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -2.887 -13.566 -4.140 1.00 0.00 C ATOM 0 H LEU A 89 -1.281 -18.186 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 89 0.290 -16.122 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.051 -15.282 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.453 -16.194 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.534 -14.915 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.445 -12.733 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.307 -14.099 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.390 -13.092 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.233 -12.704 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.293 -13.225 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.746 -14.130 -4.502 1.00 0.00 H new ATOM 1396 N THR A 90 -0.583 -16.599 -0.923 1.00 0.00 N ATOM 1397 CA THR A 90 -1.062 -16.749 0.440 1.00 0.00 C ATOM 1398 C THR A 90 -1.027 -15.358 1.054 1.00 0.00 C ATOM 1399 O THR A 90 -0.389 -14.438 0.541 1.00 0.00 O ATOM 1400 CB THR A 90 -0.184 -17.766 1.189 1.00 0.00 C ATOM 1401 OG1 THR A 90 -0.356 -19.029 0.584 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.463 -17.951 2.683 1.00 0.00 C ATOM 0 H THR A 90 0.331 -16.150 -0.978 1.00 0.00 H new ATOM 0 HA THR A 90 -2.078 -17.141 0.493 1.00 0.00 H new ATOM 0 HB THR A 90 0.824 -17.357 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.198 -19.692 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.222 -18.693 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.321 -17.002 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.490 -18.290 2.822 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.723 -15.205 2.165 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.729 -14.014 2.985 1.00 0.00 C ATOM 1412 C ILE A 91 -1.248 -14.546 4.332 1.00 0.00 C ATOM 1413 O ILE A 91 -1.794 -15.534 4.832 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.122 -13.343 2.999 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.627 -13.026 1.567 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.048 -12.035 3.807 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.122 -12.736 1.501 1.00 0.00 C ATOM 0 H ILE A 91 -2.325 -15.941 2.534 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.092 -13.205 2.629 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.823 -14.041 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.081 -12.166 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.399 -13.869 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.028 -11.559 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.739 -12.255 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.324 -11.363 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.406 -12.523 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.677 -13.603 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.353 -11.874 2.127 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.164 -13.986 4.854 1.00 0.00 N ATOM 1430 CA VAL A 92 0.360 -14.291 6.178 1.00 0.00 C ATOM 1431 C VAL A 92 0.086 -13.056 7.021 1.00 0.00 C ATOM 1432 O VAL A 92 0.111 -11.940 6.497 1.00 0.00 O ATOM 1433 CB VAL A 92 1.860 -14.666 6.129 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.103 -15.917 5.278 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.771 -13.550 5.594 1.00 0.00 C ATOM 0 H VAL A 92 0.389 -13.289 4.355 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.123 -15.167 6.612 1.00 0.00 H new ATOM 0 HB VAL A 92 2.121 -14.848 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.168 -16.149 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.553 -16.757 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.761 -15.736 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.805 -13.894 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.473 -13.293 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.682 -12.671 6.232 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.162 -13.230 8.310 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.380 -12.111 9.210 1.00 0.00 C ATOM 1447 C GLU A 93 0.956 -11.887 9.903 1.00 0.00 C ATOM 1448 O GLU A 93 1.466 -12.779 10.587 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.534 -12.329 10.198 1.00 0.00 C ATOM 1450 CG GLU A 93 -2.451 -13.520 9.918 1.00 0.00 C ATOM 1451 CD GLU A 93 -3.252 -13.484 8.610 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -3.767 -12.417 8.208 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -3.473 -14.582 8.049 1.00 0.00 O ATOM 0 H GLU A 93 -0.217 -14.145 8.758 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.699 -11.228 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.112 -12.450 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.143 -11.425 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.843 -14.425 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.155 -13.608 10.745 1.00 0.00 H new ATOM 1460 N ASP A 94 1.548 -10.724 9.687 1.00 0.00 N ATOM 1461 CA ASP A 94 2.867 -10.323 10.131 1.00 0.00 C ATOM 1462 C ASP A 94 2.691 -8.973 10.814 1.00 0.00 C ATOM 1463 O ASP A 94 2.481 -7.943 10.168 1.00 0.00 O ATOM 1464 CB ASP A 94 3.801 -10.292 8.924 1.00 0.00 C ATOM 1465 CG ASP A 94 5.256 -10.075 9.310 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.664 -10.377 10.452 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.022 -9.667 8.406 1.00 0.00 O ATOM 0 H ASP A 94 1.084 -9.985 9.159 1.00 0.00 H new ATOM 0 HA ASP A 94 3.321 -11.013 10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.711 -11.230 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.487 -9.497 8.248 1.00 0.00 H new ATOM 1472 N ASP A 95 2.638 -9.010 12.142 1.00 0.00 N ATOM 1473 CA ASP A 95 2.340 -7.866 12.992 1.00 0.00 C ATOM 1474 C ASP A 95 3.365 -6.742 12.857 1.00 0.00 C ATOM 1475 O ASP A 95 2.991 -5.621 12.507 1.00 0.00 O ATOM 1476 CB ASP A 95 2.210 -8.314 14.450 1.00 0.00 C ATOM 1477 CG ASP A 95 1.814 -7.130 15.322 1.00 0.00 C ATOM 1478 OD1 ASP A 95 0.794 -6.465 15.020 1.00 0.00 O ATOM 1479 OD2 ASP A 95 2.532 -6.824 16.296 1.00 0.00 O ATOM 0 H ASP A 95 2.807 -9.865 12.671 1.00 0.00 H new ATOM 0 HA ASP A 95 1.389 -7.454 12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.463 -9.103 14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.155 -8.732 14.797 1.00 0.00 H new ATOM 1522 N VAL A 99 8.182 -3.820 6.654 1.00 0.00 N ATOM 1523 CA VAL A 99 8.202 -3.227 5.328 1.00 0.00 C ATOM 1524 C VAL A 99 7.013 -2.280 5.225 1.00 0.00 C ATOM 1525 O VAL A 99 5.981 -2.492 5.869 1.00 0.00 O ATOM 1526 CB VAL A 99 8.127 -4.370 4.296 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.902 -3.907 2.855 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.371 -5.270 4.320 1.00 0.00 C ATOM 0 HA VAL A 99 9.112 -2.657 5.138 1.00 0.00 H new ATOM 0 HB VAL A 99 7.250 -4.934 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.862 -4.774 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.962 -3.360 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.722 -3.257 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.265 -6.058 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.256 -4.674 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.477 -5.718 5.308 1.00 0.00 H new ATOM 1538 N ARG A 100 7.142 -1.245 4.399 1.00 0.00 N ATOM 1539 CA ARG A 100 6.072 -0.310 4.101 1.00 0.00 C ATOM 1540 C ARG A 100 5.038 -1.041 3.248 1.00 0.00 C ATOM 1541 O ARG A 100 5.364 -1.553 2.172 1.00 0.00 O ATOM 1542 CB ARG A 100 6.620 0.910 3.343 1.00 0.00 C ATOM 1543 CG ARG A 100 7.615 1.807 4.103 1.00 0.00 C ATOM 1544 CD ARG A 100 9.079 1.333 4.073 1.00 0.00 C ATOM 1545 NE ARG A 100 9.454 0.515 5.245 1.00 0.00 N ATOM 1546 CZ ARG A 100 10.548 -0.246 5.359 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.306 -0.527 4.308 1.00 0.00 N ATOM 1548 NH2 ARG A 100 10.868 -0.755 6.539 1.00 0.00 N ATOM 0 H ARG A 100 8.012 -1.033 3.911 1.00 0.00 H new ATOM 0 HA ARG A 100 5.618 0.049 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.107 0.556 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.775 1.525 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.567 2.812 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.294 1.879 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.247 0.753 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.734 2.203 4.021 1.00 0.00 H new ATOM 0 HE ARG A 100 8.818 0.532 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.059 -0.161 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.136 -1.110 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.282 -0.566 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.701 -1.336 6.635 1.00 0.00 H new ATOM 1562 N THR A 101 3.810 -1.169 3.742 1.00 0.00 N ATOM 1563 CA THR A 101 2.737 -1.728 2.923 1.00 0.00 C ATOM 1564 C THR A 101 2.459 -0.707 1.809 1.00 0.00 C ATOM 1565 O THR A 101 2.832 0.451 1.968 1.00 0.00 O ATOM 1566 CB THR A 101 1.515 -1.993 3.812 1.00 0.00 C ATOM 1567 OG1 THR A 101 1.146 -0.821 4.517 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.802 -3.132 4.794 1.00 0.00 C ATOM 0 H THR A 101 3.535 -0.899 4.687 1.00 0.00 H new ATOM 0 HA THR A 101 3.002 -2.683 2.470 1.00 0.00 H new ATOM 0 HB THR A 101 0.685 -2.287 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.364 -1.009 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.924 -3.306 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.039 -4.040 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.648 -2.862 5.427 1.00 0.00 H new ATOM 1576 N PRO A 102 1.781 -1.039 0.704 1.00 0.00 N ATOM 1577 CA PRO A 102 1.455 -0.047 -0.311 1.00 0.00 C ATOM 1578 C PRO A 102 0.521 1.037 0.253 1.00 0.00 C ATOM 1579 O PRO A 102 0.467 2.137 -0.300 1.00 0.00 O ATOM 1580 CB PRO A 102 0.892 -0.832 -1.494 1.00 0.00 C ATOM 1581 CG PRO A 102 0.325 -2.074 -0.835 1.00 0.00 C ATOM 1582 CD PRO A 102 1.256 -2.334 0.345 1.00 0.00 C ATOM 0 HA PRO A 102 2.324 0.520 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.124 -0.269 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.666 -1.078 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.701 -1.915 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.311 -2.919 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.719 -2.786 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.056 -3.021 0.071 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.211 0.758 1.343 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.012 1.762 2.032 1.00 0.00 C ATOM 1592 C LEU A 103 -0.036 2.698 2.735 1.00 0.00 C ATOM 1593 O LEU A 103 -0.001 3.892 2.440 1.00 0.00 O ATOM 1594 CB LEU A 103 -1.983 1.119 3.039 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.153 2.034 3.459 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.181 1.216 4.249 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.737 3.231 4.323 1.00 0.00 C ATOM 0 H LEU A 103 -0.259 -0.170 1.765 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.632 2.307 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.388 0.206 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.426 0.828 3.929 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.565 2.432 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.008 1.861 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.559 0.406 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.708 0.799 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.618 3.822 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.267 2.873 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.030 3.850 3.771 1.00 0.00 H new ATOM 1609 N GLU A 104 0.781 2.160 3.646 1.00 0.00 N ATOM 1610 CA GLU A 104 1.652 2.994 4.466 1.00 0.00 C ATOM 1611 C GLU A 104 2.796 3.611 3.650 1.00 0.00 C ATOM 1612 O GLU A 104 3.343 4.630 4.055 1.00 0.00 O ATOM 1613 CB GLU A 104 2.009 2.275 5.781 1.00 0.00 C ATOM 1614 CG GLU A 104 0.688 2.017 6.547 1.00 0.00 C ATOM 1615 CD GLU A 104 0.810 1.874 8.064 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.446 0.912 8.556 1.00 0.00 O ATOM 1617 OE2 GLU A 104 0.159 2.673 8.780 1.00 0.00 O ATOM 0 H GLU A 104 0.854 1.159 3.830 1.00 0.00 H new ATOM 0 HA GLU A 104 1.121 3.884 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.523 1.336 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.686 2.885 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.001 2.836 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.233 1.109 6.152 1.00 0.00 H new ATOM 1624 N TRP A 105 3.095 3.101 2.452 1.00 0.00 N ATOM 1625 CA TRP A 105 4.058 3.698 1.535 1.00 0.00 C ATOM 1626 C TRP A 105 3.504 5.058 1.128 1.00 0.00 C ATOM 1627 O TRP A 105 4.240 6.031 1.079 1.00 0.00 O ATOM 1628 CB TRP A 105 4.243 2.857 0.259 1.00 0.00 C ATOM 1629 CG TRP A 105 5.493 2.046 0.156 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.558 0.721 -0.095 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.873 2.514 0.186 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.876 0.338 -0.238 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.732 1.407 -0.072 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.484 3.768 0.398 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.127 1.537 -0.108 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.883 3.911 0.365 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.705 2.798 0.116 1.00 0.00 C ATOM 0 H TRP A 105 2.666 2.249 2.091 1.00 0.00 H new ATOM 0 HA TRP A 105 5.025 3.766 2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.393 2.181 0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.204 3.529 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.707 0.061 -0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.179 -0.615 -0.441 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.867 4.633 0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.751 0.678 -0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.328 4.881 0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.779 2.912 0.097 1.00 0.00 H new ATOM 1648 N ARG A 106 2.199 5.159 0.862 1.00 0.00 N ATOM 1649 CA ARG A 106 1.557 6.428 0.532 1.00 0.00 C ATOM 1650 C ARG A 106 1.609 7.394 1.706 1.00 0.00 C ATOM 1651 O ARG A 106 1.584 8.608 1.510 1.00 0.00 O ATOM 1652 CB ARG A 106 0.121 6.142 0.096 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.412 7.240 -0.827 1.00 0.00 C ATOM 1654 CD ARG A 106 -1.695 6.851 -1.573 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.929 7.247 -0.908 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.412 6.725 0.222 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.051 5.517 0.638 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.283 7.415 0.945 1.00 0.00 N ATOM 0 H ARG A 106 1.561 4.363 0.870 1.00 0.00 H new ATOM 0 HA ARG A 106 2.092 6.912 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.080 5.181 -0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.518 6.061 0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.603 8.137 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.358 7.495 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.673 7.301 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.704 5.770 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.473 7.990 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.390 4.965 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.434 5.141 1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.581 8.341 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.655 7.020 1.809 1.00 0.00 H new ATOM 1672 N GLN A 107 1.638 6.873 2.928 1.00 0.00 N ATOM 1673 CA GLN A 107 1.825 7.693 4.110 1.00 0.00 C ATOM 1674 C GLN A 107 3.285 8.157 4.188 1.00 0.00 C ATOM 1675 O GLN A 107 3.520 9.336 4.448 1.00 0.00 O ATOM 1676 CB GLN A 107 1.319 6.936 5.350 1.00 0.00 C ATOM 1677 CG GLN A 107 1.266 7.805 6.610 1.00 0.00 C ATOM 1678 CD GLN A 107 0.483 9.108 6.435 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -0.540 9.160 5.744 1.00 0.00 O ATOM 1680 NE2 GLN A 107 0.963 10.172 7.048 1.00 0.00 N ATOM 0 H GLN A 107 1.533 5.877 3.122 1.00 0.00 H new ATOM 0 HA GLN A 107 1.229 8.604 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.323 6.543 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.968 6.080 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.816 7.228 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.284 8.043 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.810 10.097 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.487 11.070 6.959 1.00 0.00 H new ATOM 1689 N ALA A 108 4.252 7.290 3.875 1.00 0.00 N ATOM 1690 CA ALA A 108 5.663 7.636 3.827 1.00 0.00 C ATOM 1691 C ALA A 108 5.905 8.690 2.751 1.00 0.00 C ATOM 1692 O ALA A 108 6.487 9.715 3.051 1.00 0.00 O ATOM 1693 CB ALA A 108 6.521 6.384 3.608 1.00 0.00 C ATOM 0 H ALA A 108 4.066 6.314 3.645 1.00 0.00 H new ATOM 0 HA ALA A 108 5.960 8.063 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.574 6.665 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.358 5.683 4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.242 5.912 2.666 1.00 0.00 H new ATOM 1699 N ILE A 109 5.406 8.502 1.527 1.00 0.00 N ATOM 1700 CA ILE A 109 5.554 9.449 0.414 1.00 0.00 C ATOM 1701 C ILE A 109 4.946 10.821 0.771 1.00 0.00 C ATOM 1702 O ILE A 109 5.343 11.837 0.197 1.00 0.00 O ATOM 1703 CB ILE A 109 5.012 8.818 -0.906 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.110 8.069 -1.696 1.00 0.00 C ATOM 1705 CG2 ILE A 109 4.398 9.803 -1.904 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.345 6.656 -1.189 1.00 0.00 C ATOM 0 H ILE A 109 4.875 7.669 1.274 1.00 0.00 H new ATOM 0 HA ILE A 109 6.610 9.649 0.234 1.00 0.00 H new ATOM 0 HB ILE A 109 4.235 8.151 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.830 8.030 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.042 8.631 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.053 9.261 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.555 10.314 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.148 10.536 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.126 6.182 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.654 6.691 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.423 6.080 -1.276 1.00 0.00 H new ATOM 1718 N TYR A 110 3.999 10.886 1.712 1.00 0.00 N ATOM 1719 CA TYR A 110 3.473 12.157 2.193 1.00 0.00 C ATOM 1720 C TYR A 110 4.457 12.798 3.164 1.00 0.00 C ATOM 1721 O TYR A 110 4.784 13.980 3.031 1.00 0.00 O ATOM 1722 CB TYR A 110 2.119 11.942 2.871 1.00 0.00 C ATOM 1723 CG TYR A 110 1.446 13.229 3.283 1.00 0.00 C ATOM 1724 CD1 TYR A 110 0.718 13.974 2.337 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.552 13.687 4.609 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.056 15.151 2.722 1.00 0.00 C ATOM 1727 CE2 TYR A 110 0.904 14.872 4.997 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.146 15.602 4.058 1.00 0.00 C ATOM 1729 OH TYR A 110 -0.460 16.758 4.428 1.00 0.00 O ATOM 0 H TYR A 110 3.583 10.067 2.154 1.00 0.00 H new ATOM 0 HA TYR A 110 3.336 12.827 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.463 11.398 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.257 11.314 3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.668 13.639 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.131 13.128 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.520 15.710 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.986 15.224 6.015 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.300 16.921 5.381 1.00 0.00 H new