USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl -123:sc= -1.83! (180deg=-2.27) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -2.25 (180deg=-3.5!) USER MOD Set 1.3: A 133 TYR OH : rot 15:sc= -0.267 USER MOD Set 2.1: A 91 GLN : amide:sc= -0.676 X(o=-1.8,f=-1.5) USER MOD Set 2.2: A 95 ASN : amide:sc= -1.1 K(o=-1.8,f=-3.8!) USER MOD Set 3.1: A 33 SER OG : rot 84:sc= 1.2 USER MOD Set 3.2: A 75 HIS : no HD1:sc= -1.29 X(o=-0.085,f=-0.49!) USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 102 TYR OH : rot -110:sc= -0.949 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.789 K(o=0.79,f=-7.4!) USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= -0.155 (180deg=-1.13!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc=-0.00267 (180deg=-0.64) USER MOD Single : A 45 THR OG1 : rot -135:sc= 0.505 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.61) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.4!) USER MOD Single : A 63 SER OG : rot 155:sc= 0.593 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.94) USER MOD Single : A 76 MET CE :methyl 175:sc= -0.0466 (180deg=-0.129) USER MOD Single : A 83 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.7) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.57 K(o=-1.6,f=-15!) USER MOD Single : A 86 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-3.6!) USER MOD Single : A 87 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.2) USER MOD Single : A 93 GLN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -0.801 (180deg=-2.57!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-1.7!) USER MOD Single : A 103 LYS NZ :NH3+ -166:sc=-0.00954 (180deg=-0.198) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.7!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot -29:sc= 0.808 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.681 15.074 1.903 1.00 1.00 N ATOM 309 CA LEU A 21 130.237 15.046 2.085 1.00 1.00 C ATOM 310 C LEU A 21 129.866 14.067 3.189 1.00 1.00 C ATOM 311 O LEU A 21 130.409 12.966 3.282 1.00 1.00 O ATOM 312 CB LEU A 21 129.580 14.615 0.778 1.00 1.00 C ATOM 313 CG LEU A 21 128.060 14.778 0.860 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.686 16.261 1.006 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.431 14.234 -0.421 1.00 1.00 C ATOM 0 HA LEU A 21 129.889 16.040 2.366 1.00 1.00 H new ATOM 0 HB2 LEU A 21 129.971 15.212 -0.046 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.829 13.575 0.565 1.00 1.00 H new ATOM 0 HG LEU A 21 127.692 14.231 1.728 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.602 16.359 1.063 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.135 16.662 1.915 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.056 16.816 0.144 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.348 14.346 -0.371 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.814 14.788 -1.278 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.682 13.179 -0.530 1.00 1.00 H new ATOM 327 N GLN A 22 128.928 14.495 4.017 1.00 1.00 N ATOM 328 CA GLN A 22 128.461 13.671 5.121 1.00 1.00 C ATOM 329 C GLN A 22 127.132 13.022 4.751 1.00 1.00 C ATOM 330 O GLN A 22 126.093 13.681 4.768 1.00 1.00 O ATOM 331 CB GLN A 22 128.273 14.543 6.359 1.00 1.00 C ATOM 332 CG GLN A 22 129.600 15.220 6.688 1.00 1.00 C ATOM 333 CD GLN A 22 129.442 16.120 7.908 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.367 16.675 8.135 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.459 16.306 8.708 1.00 1.00 N ATOM 0 H GLN A 22 128.475 15.406 3.947 1.00 1.00 H new ATOM 0 HA GLN A 22 129.196 12.894 5.329 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.501 15.292 6.180 1.00 1.00 H new ATOM 0 HB3 GLN A 22 127.939 13.937 7.201 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.364 14.466 6.879 1.00 1.00 H new ATOM 0 HG3 GLN A 22 129.939 15.808 5.835 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.349 15.845 8.518 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.363 16.912 9.523 1.00 1.00 H new ATOM 344 N TRP A 23 127.158 11.731 4.428 1.00 1.00 N ATOM 345 CA TRP A 23 125.921 11.044 4.077 1.00 1.00 C ATOM 346 C TRP A 23 125.145 10.717 5.347 1.00 1.00 C ATOM 347 O TRP A 23 125.710 10.289 6.354 1.00 1.00 O ATOM 348 CB TRP A 23 126.218 9.760 3.296 1.00 1.00 C ATOM 349 CG TRP A 23 127.200 10.040 2.200 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.217 11.153 1.431 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.306 9.211 1.741 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.263 11.058 0.528 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.962 9.880 0.682 1.00 1.00 C ATOM 354 CE3 TRP A 23 128.801 7.956 2.137 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.063 9.325 0.037 1.00 1.00 C ATOM 356 CZ3 TRP A 23 129.914 7.393 1.489 1.00 1.00 C ATOM 357 CH2 TRP A 23 130.545 8.077 0.442 1.00 1.00 C ATOM 0 H TRP A 23 127.998 11.154 4.402 1.00 1.00 H new ATOM 0 HA TRP A 23 125.322 11.697 3.443 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.618 9.001 3.968 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.296 9.359 2.875 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.527 11.981 1.509 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.488 11.772 -0.165 1.00 1.00 H new ATOM 0 HE3 TRP A 23 128.323 7.421 2.944 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.543 9.856 -0.772 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 130.285 6.428 1.800 1.00 1.00 H new ATOM 0 HH2 TRP A 23 131.402 7.641 -0.051 1.00 1.00 H new ATOM 368 N GLU A 24 123.834 10.919 5.263 1.00 1.00 N ATOM 369 CA GLU A 24 122.931 10.645 6.374 1.00 1.00 C ATOM 370 C GLU A 24 121.852 9.667 5.923 1.00 1.00 C ATOM 371 O GLU A 24 121.630 9.487 4.725 1.00 1.00 O ATOM 372 CB GLU A 24 122.283 11.946 6.852 1.00 1.00 C ATOM 373 CG GLU A 24 123.343 12.847 7.485 1.00 1.00 C ATOM 374 CD GLU A 24 122.722 14.179 7.893 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.524 14.330 7.721 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.453 15.028 8.377 1.00 1.00 O ATOM 0 H GLU A 24 123.370 11.275 4.427 1.00 1.00 H new ATOM 0 HA GLU A 24 123.496 10.207 7.197 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.810 12.458 6.014 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.498 11.728 7.576 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.775 12.356 8.357 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.156 13.017 6.779 1.00 1.00 H new ATOM 383 N SER A 25 121.173 9.046 6.882 1.00 1.00 N ATOM 384 CA SER A 25 120.122 8.105 6.555 1.00 1.00 C ATOM 385 C SER A 25 118.859 8.869 6.210 1.00 1.00 C ATOM 386 O SER A 25 118.711 10.034 6.573 1.00 1.00 O ATOM 387 CB SER A 25 119.857 7.169 7.732 1.00 1.00 C ATOM 388 OG SER A 25 121.097 6.706 8.250 1.00 1.00 O ATOM 0 H SER A 25 121.333 9.179 7.880 1.00 1.00 H new ATOM 0 HA SER A 25 120.434 7.504 5.701 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.297 7.691 8.508 1.00 1.00 H new ATOM 0 HB3 SER A 25 119.246 6.326 7.411 1.00 1.00 H new ATOM 0 HG SER A 25 120.932 6.106 9.007 1.00 1.00 H new ATOM 394 N TYR A 26 117.952 8.211 5.517 1.00 1.00 N ATOM 395 CA TYR A 26 116.706 8.841 5.138 1.00 1.00 C ATOM 396 C TYR A 26 115.937 9.252 6.380 1.00 1.00 C ATOM 397 O TYR A 26 115.390 10.353 6.462 1.00 1.00 O ATOM 398 CB TYR A 26 115.868 7.858 4.326 1.00 1.00 C ATOM 399 CG TYR A 26 114.494 8.434 4.085 1.00 1.00 C ATOM 400 CD1 TYR A 26 113.465 8.182 5.001 1.00 1.00 C ATOM 401 CD2 TYR A 26 114.246 9.206 2.946 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.186 8.707 4.774 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.969 9.726 2.717 1.00 1.00 C ATOM 404 CZ TYR A 26 111.938 9.477 3.631 1.00 1.00 C ATOM 405 OH TYR A 26 110.679 9.992 3.404 1.00 1.00 O ATOM 0 H TYR A 26 118.054 7.245 5.206 1.00 1.00 H new ATOM 0 HA TYR A 26 116.919 9.726 4.538 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.357 7.649 3.374 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.787 6.910 4.857 1.00 1.00 H new ATOM 0 HD1 TYR A 26 113.657 7.585 5.880 1.00 1.00 H new ATOM 0 HD2 TYR A 26 115.042 9.401 2.242 1.00 1.00 H new ATOM 0 HE1 TYR A 26 111.391 8.518 5.481 1.00 1.00 H new ATOM 0 HE2 TYR A 26 112.778 10.320 1.835 1.00 1.00 H new ATOM 0 HH TYR A 26 110.680 10.502 2.567 1.00 1.00 H new ATOM 415 N ALA A 27 115.913 8.344 7.345 1.00 1.00 N ATOM 416 CA ALA A 27 115.210 8.593 8.590 1.00 1.00 C ATOM 417 C ALA A 27 115.904 9.671 9.390 1.00 1.00 C ATOM 418 O ALA A 27 115.249 10.489 10.026 1.00 1.00 O ATOM 419 CB ALA A 27 115.115 7.311 9.419 1.00 1.00 C ATOM 0 H ALA A 27 116.370 7.434 7.288 1.00 1.00 H new ATOM 0 HA ALA A 27 114.203 8.932 8.346 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.585 7.517 10.349 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.575 6.552 8.854 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.118 6.949 9.646 1.00 1.00 H new ATOM 425 N GLU A 28 117.221 9.655 9.364 1.00 1.00 N ATOM 426 CA GLU A 28 118.016 10.612 10.103 1.00 1.00 C ATOM 427 C GLU A 28 117.845 12.021 9.554 1.00 1.00 C ATOM 428 O GLU A 28 117.811 12.987 10.317 1.00 1.00 O ATOM 429 CB GLU A 28 119.471 10.183 10.018 1.00 1.00 C ATOM 430 CG GLU A 28 119.668 8.943 10.894 1.00 1.00 C ATOM 431 CD GLU A 28 119.661 9.335 12.371 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.939 10.484 12.660 1.00 1.00 O ATOM 433 OE2 GLU A 28 119.400 8.471 13.191 1.00 1.00 O ATOM 0 H GLU A 28 117.769 8.979 8.831 1.00 1.00 H new ATOM 0 HA GLU A 28 117.685 10.632 11.141 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.740 9.963 8.985 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.123 10.990 10.353 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.876 8.221 10.698 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.611 8.458 10.643 1.00 1.00 H new ATOM 440 N ALA A 29 117.748 12.138 8.241 1.00 1.00 N ATOM 441 CA ALA A 29 117.593 13.445 7.620 1.00 1.00 C ATOM 442 C ALA A 29 116.299 14.121 8.023 1.00 1.00 C ATOM 443 O ALA A 29 116.258 15.330 8.254 1.00 1.00 O ATOM 444 CB ALA A 29 117.560 13.294 6.107 1.00 1.00 C ATOM 0 H ALA A 29 117.773 11.354 7.589 1.00 1.00 H new ATOM 0 HA ALA A 29 118.437 14.050 7.951 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.444 14.275 5.646 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.491 12.841 5.766 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.722 12.658 5.823 1.00 1.00 H new ATOM 450 N LEU A 30 115.242 13.345 8.058 1.00 1.00 N ATOM 451 CA LEU A 30 113.941 13.878 8.379 1.00 1.00 C ATOM 452 C LEU A 30 113.872 14.404 9.799 1.00 1.00 C ATOM 453 O LEU A 30 113.274 15.440 10.049 1.00 1.00 O ATOM 454 CB LEU A 30 112.905 12.796 8.155 1.00 1.00 C ATOM 455 CG LEU A 30 112.642 12.689 6.661 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.223 11.267 6.346 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.514 13.638 6.244 1.00 1.00 C ATOM 0 H LEU A 30 115.258 12.343 7.868 1.00 1.00 H new ATOM 0 HA LEU A 30 113.742 14.728 7.726 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.260 11.843 8.547 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.984 13.036 8.686 1.00 1.00 H new ATOM 0 HG LEU A 30 113.549 12.957 6.119 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.030 11.173 5.277 1.00 1.00 H new ATOM 0 HD12 LEU A 30 113.020 10.581 6.633 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.317 11.023 6.901 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.340 13.547 5.172 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.603 13.379 6.783 1.00 1.00 H new ATOM 0 HD23 LEU A 30 111.796 14.664 6.480 1.00 1.00 H new ATOM 469 N GLU A 31 114.463 13.681 10.736 1.00 1.00 N ATOM 470 CA GLU A 31 114.405 14.117 12.113 1.00 1.00 C ATOM 471 C GLU A 31 115.158 15.417 12.271 1.00 1.00 C ATOM 472 O GLU A 31 114.722 16.316 12.981 1.00 1.00 O ATOM 473 CB GLU A 31 114.997 13.088 13.078 1.00 1.00 C ATOM 474 CG GLU A 31 115.114 11.753 12.379 1.00 1.00 C ATOM 475 CD GLU A 31 115.413 10.644 13.386 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.475 10.680 13.981 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.574 9.770 13.541 1.00 1.00 O ATOM 0 H GLU A 31 114.974 12.814 10.572 1.00 1.00 H new ATOM 0 HA GLU A 31 113.351 14.246 12.360 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.977 13.418 13.422 1.00 1.00 H new ATOM 0 HB3 GLU A 31 114.364 12.995 13.961 1.00 1.00 H new ATOM 0 HG2 GLU A 31 114.187 11.531 11.850 1.00 1.00 H new ATOM 0 HG3 GLU A 31 115.906 11.796 11.631 1.00 1.00 H new ATOM 484 N HIS A 32 116.293 15.510 11.590 1.00 1.00 N ATOM 485 CA HIS A 32 117.085 16.719 11.665 1.00 1.00 C ATOM 486 C HIS A 32 116.345 17.882 11.001 1.00 1.00 C ATOM 487 O HIS A 32 116.322 18.991 11.529 1.00 1.00 O ATOM 488 CB HIS A 32 118.453 16.511 11.003 1.00 1.00 C ATOM 489 CG HIS A 32 119.313 15.646 11.887 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.362 14.267 11.752 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.163 15.950 12.926 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.213 13.797 12.682 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.727 14.779 13.424 1.00 1.00 N ATOM 0 H HIS A 32 116.675 14.777 10.993 1.00 1.00 H new ATOM 0 HA HIS A 32 117.244 16.961 12.716 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.329 16.042 10.027 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.938 17.473 10.835 1.00 1.00 H new ATOM 0 HD1 HIS A 32 118.846 13.710 11.071 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.362 16.944 13.298 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.451 12.752 12.812 1.00 1.00 H new ATOM 501 N SER A 33 115.754 17.632 9.830 1.00 1.00 N ATOM 502 CA SER A 33 115.034 18.674 9.104 1.00 1.00 C ATOM 503 C SER A 33 113.817 19.151 9.873 1.00 1.00 C ATOM 504 O SER A 33 113.466 20.329 9.830 1.00 1.00 O ATOM 505 CB SER A 33 114.623 18.166 7.727 1.00 1.00 C ATOM 506 OG SER A 33 115.793 17.751 7.052 1.00 1.00 O ATOM 0 H SER A 33 115.761 16.722 9.369 1.00 1.00 H new ATOM 0 HA SER A 33 115.706 19.524 8.987 1.00 1.00 H new ATOM 0 HB2 SER A 33 113.921 17.337 7.820 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.117 18.951 7.166 1.00 1.00 H new ATOM 0 HG SER A 33 116.013 16.832 7.313 1.00 1.00 H new ATOM 512 N LYS A 34 113.184 18.243 10.600 1.00 1.00 N ATOM 513 CA LYS A 34 112.034 18.609 11.386 1.00 1.00 C ATOM 514 C LYS A 34 112.461 19.679 12.370 1.00 1.00 C ATOM 515 O LYS A 34 111.664 20.520 12.789 1.00 1.00 O ATOM 516 CB LYS A 34 111.495 17.385 12.132 1.00 1.00 C ATOM 517 CG LYS A 34 110.261 16.807 11.422 1.00 1.00 C ATOM 518 CD LYS A 34 110.522 16.559 9.928 1.00 1.00 C ATOM 519 CE LYS A 34 110.325 15.079 9.618 1.00 1.00 C ATOM 520 NZ LYS A 34 108.957 14.657 10.049 1.00 1.00 N ATOM 0 H LYS A 34 113.449 17.260 10.657 1.00 1.00 H new ATOM 0 HA LYS A 34 111.240 18.987 10.742 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.272 16.623 12.197 1.00 1.00 H new ATOM 0 HB3 LYS A 34 111.235 17.663 13.153 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.973 15.871 11.900 1.00 1.00 H new ATOM 0 HG3 LYS A 34 109.422 17.494 11.535 1.00 1.00 H new ATOM 0 HD2 LYS A 34 109.844 17.162 9.324 1.00 1.00 H new ATOM 0 HD3 LYS A 34 111.536 16.864 9.669 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.453 14.900 8.550 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.080 14.485 10.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 108.561 13.997 9.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 109.014 14.187 10.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.343 15.493 10.122 1.00 1.00 H new ATOM 534 N GLN A 35 113.730 19.605 12.763 1.00 1.00 N ATOM 535 CA GLN A 35 114.272 20.541 13.742 1.00 1.00 C ATOM 536 C GLN A 35 115.033 21.677 13.095 1.00 1.00 C ATOM 537 O GLN A 35 114.941 22.825 13.529 1.00 1.00 O ATOM 538 CB GLN A 35 115.241 19.807 14.657 1.00 1.00 C ATOM 539 CG GLN A 35 114.524 18.626 15.271 1.00 1.00 C ATOM 540 CD GLN A 35 115.457 17.880 16.220 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.588 18.313 16.450 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.049 16.780 16.790 1.00 1.00 N ATOM 0 H GLN A 35 114.397 18.913 12.422 1.00 1.00 H new ATOM 0 HA GLN A 35 113.425 20.952 14.290 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.111 19.470 14.094 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.605 20.476 15.437 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.641 18.968 15.811 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.177 17.953 14.486 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.113 16.423 16.598 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.666 16.277 17.427 1.00 1.00 H new ATOM 551 N ASP A 36 115.824 21.348 12.089 1.00 1.00 N ATOM 552 CA ASP A 36 116.656 22.339 11.408 1.00 1.00 C ATOM 553 C ASP A 36 116.036 22.889 10.118 1.00 1.00 C ATOM 554 O ASP A 36 116.451 23.944 9.641 1.00 1.00 O ATOM 555 CB ASP A 36 118.016 21.712 11.089 1.00 1.00 C ATOM 556 CG ASP A 36 118.850 21.571 12.363 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.588 22.297 13.308 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.748 20.746 12.370 1.00 1.00 O ATOM 0 H ASP A 36 115.912 20.401 11.721 1.00 1.00 H new ATOM 0 HA ASP A 36 116.755 23.186 12.087 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.874 20.734 10.630 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.548 22.330 10.365 1.00 1.00 H new ATOM 563 N HIS A 37 115.046 22.183 9.560 1.00 1.00 N ATOM 564 CA HIS A 37 114.366 22.614 8.331 1.00 1.00 C ATOM 565 C HIS A 37 115.269 22.586 7.103 1.00 1.00 C ATOM 566 O HIS A 37 114.932 23.168 6.073 1.00 1.00 O ATOM 567 CB HIS A 37 113.765 24.018 8.486 1.00 1.00 C ATOM 568 CG HIS A 37 112.749 24.010 9.592 1.00 1.00 C ATOM 569 ND1 HIS A 37 111.477 23.487 9.424 1.00 1.00 N ATOM 570 CD2 HIS A 37 112.803 24.457 10.888 1.00 1.00 C ATOM 571 CE1 HIS A 37 110.823 23.630 10.591 1.00 1.00 C ATOM 572 NE2 HIS A 37 111.586 24.217 11.517 1.00 1.00 N ATOM 0 H HIS A 37 114.695 21.305 9.942 1.00 1.00 H new ATOM 0 HA HIS A 37 113.568 21.889 8.172 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.552 24.739 8.706 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.298 24.330 7.552 1.00 1.00 H new ATOM 0 HD2 HIS A 37 113.660 24.924 11.350 1.00 1.00 H new ATOM 0 HE1 HIS A 37 109.805 23.309 10.759 1.00 1.00 H new ATOM 0 HE2 HIS A 37 111.331 24.441 12.479 1.00 1.00 H new ATOM 580 N LYS A 38 116.427 21.938 7.215 1.00 1.00 N ATOM 581 CA LYS A 38 117.363 21.890 6.097 1.00 1.00 C ATOM 582 C LYS A 38 116.820 21.005 4.961 1.00 1.00 C ATOM 583 O LYS A 38 116.477 19.847 5.201 1.00 1.00 O ATOM 584 CB LYS A 38 118.710 21.328 6.567 1.00 1.00 C ATOM 585 CG LYS A 38 119.426 22.358 7.451 1.00 1.00 C ATOM 586 CD LYS A 38 120.398 23.189 6.608 1.00 1.00 C ATOM 587 CE LYS A 38 120.680 24.516 7.315 1.00 1.00 C ATOM 588 NZ LYS A 38 120.855 24.272 8.776 1.00 1.00 N ATOM 0 H LYS A 38 116.735 21.447 8.054 1.00 1.00 H new ATOM 0 HA LYS A 38 117.493 22.906 5.723 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.554 20.404 7.124 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.331 21.081 5.706 1.00 1.00 H new ATOM 0 HG2 LYS A 38 118.695 23.011 7.927 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.967 21.850 8.249 1.00 1.00 H new ATOM 0 HD2 LYS A 38 121.328 22.640 6.458 1.00 1.00 H new ATOM 0 HD3 LYS A 38 119.974 23.373 5.621 1.00 1.00 H new ATOM 0 HE2 LYS A 38 121.577 24.977 6.902 1.00 1.00 H new ATOM 0 HE3 LYS A 38 119.858 25.212 7.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 121.411 25.046 9.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 119.923 24.229 9.235 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 121.354 23.371 8.920 1.00 1.00 H new ATOM 602 N PRO A 39 116.751 21.496 3.735 1.00 1.00 N ATOM 603 CA PRO A 39 116.259 20.677 2.586 1.00 1.00 C ATOM 604 C PRO A 39 116.999 19.341 2.475 1.00 1.00 C ATOM 605 O PRO A 39 118.180 19.246 2.805 1.00 1.00 O ATOM 606 CB PRO A 39 116.551 21.534 1.349 1.00 1.00 C ATOM 607 CG PRO A 39 116.763 22.930 1.831 1.00 1.00 C ATOM 608 CD PRO A 39 117.107 22.865 3.317 1.00 1.00 C ATOM 0 HA PRO A 39 115.204 20.430 2.702 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.434 21.168 0.825 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.721 21.490 0.644 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.568 23.408 1.273 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.866 23.529 1.673 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.165 23.066 3.486 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.547 23.608 3.884 1.00 1.00 H new ATOM 616 N ILE A 40 116.289 18.307 2.020 1.00 1.00 N ATOM 617 CA ILE A 40 116.885 16.981 1.882 1.00 1.00 C ATOM 618 C ILE A 40 117.084 16.642 0.406 1.00 1.00 C ATOM 619 O ILE A 40 116.139 16.699 -0.384 1.00 1.00 O ATOM 620 CB ILE A 40 115.956 15.922 2.487 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.177 16.519 3.664 1.00 1.00 C ATOM 622 CG2 ILE A 40 116.787 14.740 2.982 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.353 15.424 4.356 1.00 1.00 C ATOM 0 H ILE A 40 115.309 18.363 1.743 1.00 1.00 H new ATOM 0 HA ILE A 40 117.844 16.986 2.400 1.00 1.00 H new ATOM 0 HB ILE A 40 115.254 15.587 1.724 1.00 1.00 H new ATOM 0 HG12 ILE A 40 115.867 16.971 4.376 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.519 17.313 3.310 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.127 13.986 3.412 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.337 14.307 2.147 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.491 15.082 3.741 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.802 15.856 5.191 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.651 14.992 3.643 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.020 14.645 4.725 1.00 1.00 H new ATOM 635 N GLY A 41 118.299 16.251 0.046 1.00 1.00 N ATOM 636 CA GLY A 41 118.593 15.858 -1.322 1.00 1.00 C ATOM 637 C GLY A 41 118.762 14.346 -1.371 1.00 1.00 C ATOM 638 O GLY A 41 119.707 13.803 -0.793 1.00 1.00 O ATOM 0 H GLY A 41 119.094 16.198 0.682 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.787 16.170 -1.986 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.501 16.351 -1.670 1.00 1.00 H new ATOM 642 N LEU A 42 117.867 13.668 -2.085 1.00 1.00 N ATOM 643 CA LEU A 42 117.971 12.227 -2.217 1.00 1.00 C ATOM 644 C LEU A 42 118.690 11.921 -3.514 1.00 1.00 C ATOM 645 O LEU A 42 118.256 12.337 -4.591 1.00 1.00 O ATOM 646 CB LEU A 42 116.599 11.529 -2.291 1.00 1.00 C ATOM 647 CG LEU A 42 115.673 11.895 -1.125 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.422 13.397 -1.072 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.330 11.202 -1.345 1.00 1.00 C ATOM 0 H LEU A 42 117.076 14.089 -2.572 1.00 1.00 H new ATOM 0 HA LEU A 42 118.498 11.861 -1.336 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.113 11.795 -3.230 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.748 10.449 -2.304 1.00 1.00 H new ATOM 0 HG LEU A 42 116.144 11.581 -0.194 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.762 13.626 -0.235 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.369 13.920 -0.941 1.00 1.00 H new ATOM 0 HD13 LEU A 42 114.955 13.721 -2.002 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.655 11.449 -0.526 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.897 11.539 -2.287 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.479 10.123 -1.380 1.00 1.00 H new ATOM 661 N PHE A 43 119.799 11.216 -3.406 1.00 1.00 N ATOM 662 CA PHE A 43 120.579 10.877 -4.583 1.00 1.00 C ATOM 663 C PHE A 43 120.173 9.486 -5.082 1.00 1.00 C ATOM 664 O PHE A 43 120.535 8.479 -4.472 1.00 1.00 O ATOM 665 CB PHE A 43 122.060 10.912 -4.204 1.00 1.00 C ATOM 666 CG PHE A 43 122.923 10.871 -5.437 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.918 11.951 -6.328 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.743 9.764 -5.683 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.729 11.922 -7.464 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.554 9.738 -6.820 1.00 1.00 C ATOM 671 CZ PHE A 43 124.546 10.820 -7.710 1.00 1.00 C ATOM 0 H PHE A 43 120.179 10.869 -2.525 1.00 1.00 H new ATOM 0 HA PHE A 43 120.397 11.591 -5.386 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.274 11.816 -3.634 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.296 10.065 -3.560 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.287 12.806 -6.137 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.749 8.931 -4.995 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.723 12.754 -8.153 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.187 8.884 -7.013 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.174 10.800 -8.588 1.00 1.00 H new ATOM 681 N PHE A 44 119.440 9.431 -6.202 1.00 1.00 N ATOM 682 CA PHE A 44 118.997 8.169 -6.808 1.00 1.00 C ATOM 683 C PHE A 44 119.973 7.782 -7.908 1.00 1.00 C ATOM 684 O PHE A 44 120.159 8.550 -8.849 1.00 1.00 O ATOM 685 CB PHE A 44 117.613 8.351 -7.427 1.00 1.00 C ATOM 686 CG PHE A 44 116.562 8.349 -6.349 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.055 7.133 -5.882 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.080 9.558 -5.831 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.069 7.121 -4.892 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.089 9.543 -4.843 1.00 1.00 C ATOM 691 CZ PHE A 44 114.586 8.328 -4.376 1.00 1.00 C ATOM 0 H PHE A 44 119.138 10.260 -6.713 1.00 1.00 H new ATOM 0 HA PHE A 44 118.957 7.394 -6.042 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.574 9.288 -7.982 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.416 7.550 -8.140 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.425 6.203 -6.286 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.471 10.497 -6.192 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.681 6.182 -4.526 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.713 10.473 -4.442 1.00 1.00 H new ATOM 0 HZ PHE A 44 113.821 8.320 -3.614 1.00 1.00 H new ATOM 701 N THR A 45 120.587 6.598 -7.801 1.00 1.00 N ATOM 702 CA THR A 45 121.537 6.189 -8.840 1.00 1.00 C ATOM 703 C THR A 45 121.751 4.676 -8.968 1.00 1.00 C ATOM 704 O THR A 45 121.144 3.871 -8.263 1.00 1.00 O ATOM 705 CB THR A 45 122.888 6.862 -8.582 1.00 1.00 C ATOM 706 OG1 THR A 45 123.255 6.675 -7.223 1.00 1.00 O ATOM 707 CG2 THR A 45 122.797 8.358 -8.883 1.00 1.00 C ATOM 0 H THR A 45 120.452 5.932 -7.040 1.00 1.00 H new ATOM 0 HA THR A 45 121.093 6.508 -9.783 1.00 1.00 H new ATOM 0 HB THR A 45 123.639 6.414 -9.232 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.589 7.520 -6.855 1.00 1.00 H new ATOM 0 HG21 THR A 45 123.763 8.826 -8.696 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.520 8.503 -9.927 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.043 8.813 -8.241 1.00 1.00 H new ATOM 715 N GLY A 46 122.699 4.336 -9.841 1.00 1.00 N ATOM 716 CA GLY A 46 123.142 2.970 -10.085 1.00 1.00 C ATOM 717 C GLY A 46 124.662 3.000 -10.029 1.00 1.00 C ATOM 718 O GLY A 46 125.332 3.272 -11.027 1.00 1.00 O ATOM 0 H GLY A 46 123.191 5.024 -10.411 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.738 2.290 -9.335 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.795 2.616 -11.056 1.00 1.00 H new ATOM 722 N SER A 47 125.183 2.814 -8.827 1.00 1.00 N ATOM 723 CA SER A 47 126.613 2.908 -8.566 1.00 1.00 C ATOM 724 C SER A 47 127.508 2.031 -9.436 1.00 1.00 C ATOM 725 O SER A 47 128.628 2.437 -9.757 1.00 1.00 O ATOM 726 CB SER A 47 126.867 2.552 -7.105 1.00 1.00 C ATOM 727 OG SER A 47 126.335 3.574 -6.279 1.00 1.00 O ATOM 0 H SER A 47 124.626 2.593 -8.002 1.00 1.00 H new ATOM 0 HA SER A 47 126.882 3.935 -8.811 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.403 1.595 -6.865 1.00 1.00 H new ATOM 0 HB3 SER A 47 127.936 2.442 -6.925 1.00 1.00 H new ATOM 0 HG SER A 47 126.494 3.350 -5.338 1.00 1.00 H new ATOM 733 N ASP A 48 127.069 0.822 -9.778 1.00 1.00 N ATOM 734 CA ASP A 48 127.912 -0.084 -10.554 1.00 1.00 C ATOM 735 C ASP A 48 127.530 -0.189 -12.028 1.00 1.00 C ATOM 736 O ASP A 48 128.196 -0.921 -12.760 1.00 1.00 O ATOM 737 CB ASP A 48 127.848 -1.482 -9.931 1.00 1.00 C ATOM 738 CG ASP A 48 128.525 -1.477 -8.564 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.327 -0.587 -8.326 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.225 -2.358 -7.774 1.00 1.00 O ATOM 0 H ASP A 48 126.150 0.451 -9.535 1.00 1.00 H new ATOM 0 HA ASP A 48 128.918 0.334 -10.522 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.809 -1.797 -9.830 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.337 -2.203 -10.585 1.00 1.00 H new ATOM 745 N TRP A 49 126.447 0.464 -12.471 1.00 1.00 N ATOM 746 CA TRP A 49 126.034 0.306 -13.868 1.00 1.00 C ATOM 747 C TRP A 49 125.700 1.609 -14.594 1.00 1.00 C ATOM 748 O TRP A 49 125.733 1.643 -15.823 1.00 1.00 O ATOM 749 CB TRP A 49 124.820 -0.629 -13.940 1.00 1.00 C ATOM 750 CG TRP A 49 123.828 -0.300 -12.864 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.062 -0.360 -11.529 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.438 0.120 -13.011 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.912 -0.001 -10.858 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.884 0.304 -11.723 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.611 0.361 -14.125 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.561 0.708 -11.543 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.279 0.769 -13.947 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.756 0.941 -12.659 1.00 1.00 C ATOM 0 H TRP A 49 125.863 1.082 -11.908 1.00 1.00 H new ATOM 0 HA TRP A 49 126.900 -0.111 -14.381 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.345 -0.541 -14.917 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.146 -1.664 -13.836 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.996 -0.643 -11.067 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.832 0.035 -9.842 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.004 0.231 -15.123 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.163 0.839 -10.548 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.654 0.951 -14.809 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.730 1.254 -12.530 1.00 1.00 H new ATOM 769 N CYS A 50 125.384 2.680 -13.876 1.00 1.00 N ATOM 770 CA CYS A 50 125.063 3.946 -14.525 1.00 1.00 C ATOM 771 C CYS A 50 126.310 4.829 -14.630 1.00 1.00 C ATOM 772 O CYS A 50 126.885 5.241 -13.622 1.00 1.00 O ATOM 773 CB CYS A 50 123.976 4.655 -13.727 1.00 1.00 C ATOM 774 SG CYS A 50 123.783 6.342 -14.329 1.00 1.00 S ATOM 0 H CYS A 50 125.343 2.699 -12.857 1.00 1.00 H new ATOM 0 HA CYS A 50 124.703 3.751 -15.535 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.033 4.116 -13.819 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.236 4.664 -12.668 1.00 1.00 H new ATOM 779 N MET A 51 126.728 5.097 -15.866 1.00 1.00 N ATOM 780 CA MET A 51 127.915 5.908 -16.123 1.00 1.00 C ATOM 781 C MET A 51 127.656 7.388 -15.883 1.00 1.00 C ATOM 782 O MET A 51 128.492 8.081 -15.302 1.00 1.00 O ATOM 783 CB MET A 51 128.369 5.686 -17.573 1.00 1.00 C ATOM 784 CG MET A 51 129.621 6.511 -17.871 1.00 1.00 C ATOM 785 SD MET A 51 130.203 6.144 -19.548 1.00 1.00 S ATOM 786 CE MET A 51 129.150 7.319 -20.438 1.00 1.00 C ATOM 0 H MET A 51 126.259 4.762 -16.708 1.00 1.00 H new ATOM 0 HA MET A 51 128.696 5.598 -15.429 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.575 4.628 -17.739 1.00 1.00 H new ATOM 0 HB3 MET A 51 127.569 5.966 -18.258 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.400 7.574 -17.776 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.402 6.282 -17.146 1.00 1.00 H new ATOM 0 HE1 MET A 51 129.354 7.253 -21.507 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.102 7.081 -20.253 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.359 8.331 -20.090 1.00 1.00 H new ATOM 796 N TRP A 52 126.508 7.877 -16.329 1.00 1.00 N ATOM 797 CA TRP A 52 126.175 9.277 -16.146 1.00 1.00 C ATOM 798 C TRP A 52 126.090 9.585 -14.662 1.00 1.00 C ATOM 799 O TRP A 52 126.304 10.719 -14.232 1.00 1.00 O ATOM 800 CB TRP A 52 124.842 9.608 -16.822 1.00 1.00 C ATOM 801 CG TRP A 52 124.964 9.406 -18.301 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.828 10.067 -19.108 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.219 8.494 -19.162 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.655 9.625 -20.407 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.676 8.655 -20.492 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.198 7.554 -18.921 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.142 7.911 -21.547 1.00 1.00 C ATOM 808 CZ3 TRP A 52 122.660 6.801 -19.981 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.130 6.982 -21.291 1.00 1.00 C ATOM 0 H TRP A 52 125.799 7.329 -16.816 1.00 1.00 H new ATOM 0 HA TRP A 52 126.954 9.887 -16.604 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.052 8.972 -16.422 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.560 10.639 -16.608 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.537 10.817 -18.789 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.186 9.973 -21.205 1.00 1.00 H new ATOM 0 HE3 TRP A 52 122.826 7.410 -17.917 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.509 8.053 -22.553 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 121.881 6.079 -19.785 1.00 1.00 H new ATOM 0 HH2 TRP A 52 122.710 6.404 -22.101 1.00 1.00 H new ATOM 820 N CYS A 53 125.780 8.560 -13.884 1.00 1.00 N ATOM 821 CA CYS A 53 125.674 8.722 -12.448 1.00 1.00 C ATOM 822 C CYS A 53 127.048 8.858 -11.843 1.00 1.00 C ATOM 823 O CYS A 53 127.267 9.705 -10.986 1.00 1.00 O ATOM 824 CB CYS A 53 124.942 7.536 -11.840 1.00 1.00 C ATOM 825 SG CYS A 53 123.338 7.365 -12.654 1.00 1.00 S ATOM 0 H CYS A 53 125.599 7.615 -14.222 1.00 1.00 H new ATOM 0 HA CYS A 53 125.106 9.627 -12.234 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.528 6.626 -11.965 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.808 7.684 -10.768 1.00 1.00 H new ATOM 830 N ILE A 54 127.983 8.055 -12.310 1.00 1.00 N ATOM 831 CA ILE A 54 129.325 8.151 -11.795 1.00 1.00 C ATOM 832 C ILE A 54 129.816 9.558 -12.056 1.00 1.00 C ATOM 833 O ILE A 54 130.453 10.172 -11.203 1.00 1.00 O ATOM 834 CB ILE A 54 130.241 7.172 -12.502 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.836 5.738 -12.150 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.675 7.425 -12.052 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.576 4.748 -13.056 1.00 1.00 C ATOM 0 H ILE A 54 127.840 7.346 -13.029 1.00 1.00 H new ATOM 0 HA ILE A 54 129.328 7.919 -10.730 1.00 1.00 H new ATOM 0 HB ILE A 54 130.163 7.308 -13.581 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.068 5.532 -11.105 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.759 5.616 -12.267 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.343 6.726 -12.555 1.00 1.00 H new ATOM 0 HG22 ILE A 54 131.961 8.446 -12.305 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.748 7.285 -10.974 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.282 3.730 -12.799 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.322 4.947 -14.097 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.651 4.861 -12.917 1.00 1.00 H new ATOM 849 N LYS A 55 129.527 10.057 -13.253 1.00 1.00 N ATOM 850 CA LYS A 55 129.958 11.392 -13.620 1.00 1.00 C ATOM 851 C LYS A 55 129.353 12.432 -12.690 1.00 1.00 C ATOM 852 O LYS A 55 130.047 13.348 -12.248 1.00 1.00 O ATOM 853 CB LYS A 55 129.557 11.709 -15.064 1.00 1.00 C ATOM 854 CG LYS A 55 130.272 10.764 -16.041 1.00 1.00 C ATOM 855 CD LYS A 55 131.775 11.064 -16.079 1.00 1.00 C ATOM 856 CE LYS A 55 132.374 10.456 -17.347 1.00 1.00 C ATOM 857 NZ LYS A 55 133.844 10.694 -17.366 1.00 1.00 N ATOM 0 H LYS A 55 129.003 9.561 -13.974 1.00 1.00 H new ATOM 0 HA LYS A 55 131.044 11.426 -13.531 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.477 11.610 -15.178 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.809 12.743 -15.299 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.110 9.729 -15.739 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.848 10.875 -17.039 1.00 1.00 H new ATOM 0 HD2 LYS A 55 131.944 12.141 -16.062 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.263 10.651 -15.197 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.168 9.386 -17.383 1.00 1.00 H new ATOM 0 HE3 LYS A 55 131.912 10.899 -18.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.252 10.280 -18.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.030 11.717 -17.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.278 10.251 -16.531 1.00 1.00 H new ATOM 871 N MET A 56 128.062 12.299 -12.385 1.00 1.00 N ATOM 872 CA MET A 56 127.420 13.254 -11.504 1.00 1.00 C ATOM 873 C MET A 56 128.071 13.218 -10.128 1.00 1.00 C ATOM 874 O MET A 56 128.337 14.259 -9.529 1.00 1.00 O ATOM 875 CB MET A 56 125.925 12.963 -11.374 1.00 1.00 C ATOM 876 CG MET A 56 125.290 14.053 -10.513 1.00 1.00 C ATOM 877 SD MET A 56 123.489 13.900 -10.558 1.00 1.00 S ATOM 878 CE MET A 56 123.145 15.214 -9.366 1.00 1.00 C ATOM 0 H MET A 56 127.457 11.554 -12.730 1.00 1.00 H new ATOM 0 HA MET A 56 127.542 14.247 -11.937 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.457 12.938 -12.358 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.768 11.984 -10.921 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.645 13.971 -9.486 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.590 15.036 -10.876 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.560 14.811 -8.539 1.00 1.00 H new ATOM 0 HE2 MET A 56 124.084 15.614 -8.984 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.583 16.010 -9.854 1.00 1.00 H new ATOM 888 N GLN A 57 128.328 12.005 -9.629 1.00 1.00 N ATOM 889 CA GLN A 57 128.947 11.853 -8.321 1.00 1.00 C ATOM 890 C GLN A 57 130.353 12.406 -8.331 1.00 1.00 C ATOM 891 O GLN A 57 130.739 13.168 -7.447 1.00 1.00 O ATOM 892 CB GLN A 57 129.058 10.376 -7.922 1.00 1.00 C ATOM 893 CG GLN A 57 127.677 9.762 -7.773 1.00 1.00 C ATOM 894 CD GLN A 57 127.794 8.325 -7.271 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.606 8.034 -6.389 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.017 7.402 -7.777 1.00 1.00 N ATOM 0 H GLN A 57 128.118 11.129 -10.108 1.00 1.00 H new ATOM 0 HA GLN A 57 128.315 12.392 -7.615 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.626 9.831 -8.676 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.606 10.286 -6.984 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.081 10.352 -7.076 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.157 9.780 -8.731 1.00 1.00 H new ATOM 0 HE21 GLN A 57 126.346 7.644 -8.506 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.082 6.441 -7.442 1.00 1.00 H new ATOM 905 N ASP A 58 131.126 12.007 -9.321 1.00 1.00 N ATOM 906 CA ASP A 58 132.512 12.448 -9.397 1.00 1.00 C ATOM 907 C ASP A 58 132.648 13.934 -9.707 1.00 1.00 C ATOM 908 O ASP A 58 133.542 14.595 -9.178 1.00 1.00 O ATOM 909 CB ASP A 58 133.255 11.638 -10.464 1.00 1.00 C ATOM 910 CG ASP A 58 134.731 12.027 -10.490 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.091 12.964 -9.797 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.483 11.376 -11.197 1.00 1.00 O ATOM 0 H ASP A 58 130.828 11.388 -10.075 1.00 1.00 H new ATOM 0 HA ASP A 58 132.950 12.281 -8.413 1.00 1.00 H new ATOM 0 HB2 ASP A 58 133.156 10.573 -10.256 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.808 11.815 -11.442 1.00 1.00 H new ATOM 917 N GLN A 59 131.822 14.458 -10.595 1.00 1.00 N ATOM 918 CA GLN A 59 131.964 15.856 -10.976 1.00 1.00 C ATOM 919 C GLN A 59 131.181 16.851 -10.117 1.00 1.00 C ATOM 920 O GLN A 59 131.565 18.015 -10.073 1.00 1.00 O ATOM 921 CB GLN A 59 131.565 16.028 -12.441 1.00 1.00 C ATOM 922 CG GLN A 59 132.559 15.270 -13.322 1.00 1.00 C ATOM 923 CD GLN A 59 132.214 15.475 -14.790 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.286 16.214 -15.116 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.918 14.867 -15.705 1.00 1.00 N ATOM 0 H GLN A 59 131.064 13.955 -11.057 1.00 1.00 H new ATOM 0 HA GLN A 59 133.015 16.094 -10.812 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.555 15.651 -12.603 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.557 17.085 -12.707 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.572 15.620 -13.126 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.536 14.208 -13.079 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.687 14.255 -15.434 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.699 15.004 -16.692 1.00 1.00 H new ATOM 934 N ILE A 60 130.066 16.447 -9.498 1.00 1.00 N ATOM 935 CA ILE A 60 129.279 17.420 -8.724 1.00 1.00 C ATOM 936 C ILE A 60 129.209 17.106 -7.229 1.00 1.00 C ATOM 937 O ILE A 60 129.509 17.979 -6.415 1.00 1.00 O ATOM 938 CB ILE A 60 127.856 17.495 -9.305 1.00 1.00 C ATOM 939 CG1 ILE A 60 127.937 17.958 -10.766 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.014 18.510 -8.513 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.587 17.752 -11.458 1.00 1.00 C ATOM 0 H ILE A 60 129.698 15.496 -9.513 1.00 1.00 H new ATOM 0 HA ILE A 60 129.790 18.379 -8.811 1.00 1.00 H new ATOM 0 HB ILE A 60 127.392 16.511 -9.241 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.219 19.010 -10.807 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.712 17.399 -11.290 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.009 18.555 -8.933 1.00 1.00 H new ATOM 0 HG22 ILE A 60 126.958 18.201 -7.469 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.478 19.495 -8.575 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.655 18.084 -12.494 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.322 16.695 -11.432 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.821 18.331 -10.941 1.00 1.00 H new ATOM 953 N LEU A 61 128.778 15.920 -6.842 1.00 1.00 N ATOM 954 CA LEU A 61 128.647 15.618 -5.418 1.00 1.00 C ATOM 955 C LEU A 61 130.003 15.669 -4.718 1.00 1.00 C ATOM 956 O LEU A 61 130.108 16.137 -3.582 1.00 1.00 O ATOM 957 CB LEU A 61 128.009 14.241 -5.179 1.00 1.00 C ATOM 958 CG LEU A 61 126.522 14.199 -5.616 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.629 14.725 -4.501 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.256 15.046 -6.862 1.00 1.00 C ATOM 0 H LEU A 61 128.517 15.162 -7.472 1.00 1.00 H new ATOM 0 HA LEU A 61 127.992 16.382 -4.999 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.568 13.483 -5.728 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.082 13.988 -4.121 1.00 1.00 H new ATOM 0 HG LEU A 61 126.298 13.156 -5.841 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.588 14.690 -4.822 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.756 14.108 -3.612 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.903 15.754 -4.270 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.200 14.983 -7.126 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.517 16.084 -6.659 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.860 14.675 -7.690 1.00 1.00 H new ATOM 972 N GLN A 62 131.039 15.169 -5.391 1.00 1.00 N ATOM 973 CA GLN A 62 132.381 15.141 -4.826 1.00 1.00 C ATOM 974 C GLN A 62 133.138 16.444 -5.086 1.00 1.00 C ATOM 975 O GLN A 62 134.305 16.573 -4.713 1.00 1.00 O ATOM 976 CB GLN A 62 133.172 13.987 -5.436 1.00 1.00 C ATOM 977 CG GLN A 62 132.594 12.651 -4.969 1.00 1.00 C ATOM 978 CD GLN A 62 133.323 11.509 -5.671 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.228 11.750 -6.472 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.987 10.276 -5.416 1.00 1.00 N ATOM 0 H GLN A 62 130.971 14.778 -6.330 1.00 1.00 H new ATOM 0 HA GLN A 62 132.278 15.011 -3.749 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.138 14.047 -6.524 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.220 14.060 -5.146 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.700 12.555 -3.888 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.528 12.607 -5.190 1.00 1.00 H new ATOM 0 HE21 GLN A 62 132.238 10.078 -4.753 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.473 9.509 -5.880 1.00 1.00 H new ATOM 989 N SER A 63 132.490 17.412 -5.727 1.00 1.00 N ATOM 990 CA SER A 63 133.144 18.688 -6.014 1.00 1.00 C ATOM 991 C SER A 63 133.172 19.584 -4.778 1.00 1.00 C ATOM 992 O SER A 63 132.307 19.486 -3.913 1.00 1.00 O ATOM 993 CB SER A 63 132.431 19.411 -7.153 1.00 1.00 C ATOM 994 OG SER A 63 132.880 18.879 -8.389 1.00 1.00 O ATOM 0 H SER A 63 131.526 17.342 -6.054 1.00 1.00 H new ATOM 0 HA SER A 63 134.170 18.473 -6.311 1.00 1.00 H new ATOM 0 HB2 SER A 63 131.352 19.288 -7.060 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.636 20.481 -7.107 1.00 1.00 H new ATOM 0 HG SER A 63 132.195 19.023 -9.075 1.00 1.00 H new ATOM 1000 N SER A 64 134.192 20.426 -4.684 1.00 1.00 N ATOM 1001 CA SER A 64 134.353 21.295 -3.520 1.00 1.00 C ATOM 1002 C SER A 64 133.170 22.231 -3.303 1.00 1.00 C ATOM 1003 O SER A 64 132.737 22.420 -2.167 1.00 1.00 O ATOM 1004 CB SER A 64 135.622 22.128 -3.679 1.00 1.00 C ATOM 1005 OG SER A 64 136.737 21.259 -3.805 1.00 1.00 O ATOM 0 H SER A 64 134.918 20.528 -5.393 1.00 1.00 H new ATOM 0 HA SER A 64 134.416 20.645 -2.648 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.544 22.768 -4.558 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.752 22.783 -2.818 1.00 1.00 H new ATOM 0 HG SER A 64 137.555 21.789 -3.909 1.00 1.00 H new ATOM 1011 N GLU A 65 132.665 22.842 -4.368 1.00 1.00 N ATOM 1012 CA GLU A 65 131.559 23.778 -4.230 1.00 1.00 C ATOM 1013 C GLU A 65 130.308 23.097 -3.690 1.00 1.00 C ATOM 1014 O GLU A 65 129.636 23.634 -2.813 1.00 1.00 O ATOM 1015 CB GLU A 65 131.244 24.403 -5.592 1.00 1.00 C ATOM 1016 CG GLU A 65 132.435 25.242 -6.074 1.00 1.00 C ATOM 1017 CD GLU A 65 132.644 26.439 -5.149 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.714 26.785 -4.442 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.732 26.990 -5.165 1.00 1.00 O ATOM 0 H GLU A 65 132.998 22.709 -5.323 1.00 1.00 H new ATOM 0 HA GLU A 65 131.860 24.548 -3.519 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.023 23.620 -6.318 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.355 25.029 -5.517 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.336 24.629 -6.097 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.258 25.587 -7.093 1.00 1.00 H new ATOM 1026 N PHE A 66 130.004 21.907 -4.198 1.00 1.00 N ATOM 1027 CA PHE A 66 128.838 21.174 -3.727 1.00 1.00 C ATOM 1028 C PHE A 66 129.004 20.757 -2.269 1.00 1.00 C ATOM 1029 O PHE A 66 128.061 20.840 -1.484 1.00 1.00 O ATOM 1030 CB PHE A 66 128.588 19.930 -4.577 1.00 1.00 C ATOM 1031 CG PHE A 66 127.279 19.311 -4.145 1.00 1.00 C ATOM 1032 CD1 PHE A 66 126.075 19.766 -4.692 1.00 1.00 C ATOM 1033 CD2 PHE A 66 127.268 18.294 -3.183 1.00 1.00 C ATOM 1034 CE1 PHE A 66 124.863 19.202 -4.277 1.00 1.00 C ATOM 1035 CE2 PHE A 66 126.055 17.734 -2.766 1.00 1.00 C ATOM 1036 CZ PHE A 66 124.852 18.187 -3.316 1.00 1.00 C ATOM 0 H PHE A 66 130.541 21.436 -4.926 1.00 1.00 H new ATOM 0 HA PHE A 66 127.983 21.844 -3.814 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.552 20.194 -5.634 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.403 19.217 -4.454 1.00 1.00 H new ATOM 0 HD1 PHE A 66 126.080 20.551 -5.433 1.00 1.00 H new ATOM 0 HD2 PHE A 66 128.198 17.941 -2.762 1.00 1.00 H new ATOM 0 HE1 PHE A 66 123.933 19.552 -4.701 1.00 1.00 H new ATOM 0 HE2 PHE A 66 126.048 16.953 -2.020 1.00 1.00 H new ATOM 0 HZ PHE A 66 123.915 17.753 -2.999 1.00 1.00 H new ATOM 1046 N LYS A 67 130.203 20.297 -1.912 1.00 1.00 N ATOM 1047 CA LYS A 67 130.453 19.865 -0.544 1.00 1.00 C ATOM 1048 C LYS A 67 130.207 21.000 0.419 1.00 1.00 C ATOM 1049 O LYS A 67 129.583 20.817 1.463 1.00 1.00 O ATOM 1050 CB LYS A 67 131.909 19.418 -0.360 1.00 1.00 C ATOM 1051 CG LYS A 67 132.148 18.068 -1.027 1.00 1.00 C ATOM 1052 CD LYS A 67 133.609 17.659 -0.822 1.00 1.00 C ATOM 1053 CE LYS A 67 133.835 16.301 -1.475 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.251 15.869 -1.292 1.00 1.00 N ATOM 0 H LYS A 67 131.002 20.216 -2.541 1.00 1.00 H new ATOM 0 HA LYS A 67 129.778 19.033 -0.345 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.580 20.164 -0.787 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.142 19.350 0.703 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.484 17.316 -0.602 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.920 18.129 -2.091 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.274 18.403 -1.259 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.841 17.610 0.242 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.163 15.563 -1.037 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.599 16.357 -2.538 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.392 14.942 -1.742 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.886 16.566 -1.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.464 15.797 -0.276 1.00 1.00 H new ATOM 1068 N HIS A 68 130.718 22.171 0.080 1.00 1.00 N ATOM 1069 CA HIS A 68 130.567 23.311 0.940 1.00 1.00 C ATOM 1070 C HIS A 68 129.121 23.763 1.006 1.00 1.00 C ATOM 1071 O HIS A 68 128.600 24.029 2.089 1.00 1.00 O ATOM 1072 CB HIS A 68 131.460 24.449 0.457 1.00 1.00 C ATOM 1073 CG HIS A 68 131.336 25.611 1.401 1.00 1.00 C ATOM 1074 ND1 HIS A 68 131.847 25.575 2.688 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.756 26.846 1.261 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.567 26.756 3.269 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.903 27.568 2.442 1.00 1.00 N ATOM 0 H HIS A 68 131.236 22.348 -0.781 1.00 1.00 H new ATOM 0 HA HIS A 68 130.870 23.022 1.946 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.497 24.116 0.405 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.172 24.751 -0.550 1.00 1.00 H new ATOM 0 HD2 HIS A 68 130.261 27.204 0.370 1.00 1.00 H new ATOM 0 HE1 HIS A 68 131.845 27.015 4.280 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.574 28.514 2.635 1.00 1.00 H new ATOM 1085 N PHE A 69 128.463 23.856 -0.148 1.00 1.00 N ATOM 1086 CA PHE A 69 127.085 24.284 -0.186 1.00 1.00 C ATOM 1087 C PHE A 69 126.207 23.317 0.584 1.00 1.00 C ATOM 1088 O PHE A 69 125.384 23.725 1.405 1.00 1.00 O ATOM 1089 CB PHE A 69 126.621 24.376 -1.642 1.00 1.00 C ATOM 1090 CG PHE A 69 125.133 24.622 -1.697 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.606 25.846 -1.265 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.281 23.629 -2.189 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.226 26.071 -1.325 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.905 23.853 -2.248 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.376 25.070 -1.818 1.00 1.00 C ATOM 0 H PHE A 69 128.868 23.640 -1.059 1.00 1.00 H new ATOM 0 HA PHE A 69 127.004 25.265 0.282 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.150 25.182 -2.150 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.865 23.453 -2.169 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.263 26.615 -0.886 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.689 22.687 -2.524 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.816 27.013 -0.992 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.249 23.083 -2.627 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.311 25.242 -1.865 1.00 1.00 H new ATOM 1105 N ALA A 70 126.355 22.031 0.279 1.00 1.00 N ATOM 1106 CA ALA A 70 125.546 20.998 0.897 1.00 1.00 C ATOM 1107 C ALA A 70 125.847 20.813 2.376 1.00 1.00 C ATOM 1108 O ALA A 70 124.943 20.547 3.167 1.00 1.00 O ATOM 1109 CB ALA A 70 125.751 19.664 0.172 1.00 1.00 C ATOM 0 H ALA A 70 127.034 21.683 -0.398 1.00 1.00 H new ATOM 0 HA ALA A 70 124.510 21.324 0.812 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.139 18.895 0.644 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.459 19.769 -0.873 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.801 19.377 0.228 1.00 1.00 H new ATOM 1115 N GLY A 71 127.107 20.943 2.753 1.00 1.00 N ATOM 1116 CA GLY A 71 127.475 20.767 4.142 1.00 1.00 C ATOM 1117 C GLY A 71 126.823 21.842 4.981 1.00 1.00 C ATOM 1118 O GLY A 71 126.448 21.611 6.127 1.00 1.00 O ATOM 0 H GLY A 71 127.880 21.166 2.126 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.163 19.782 4.489 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.559 20.815 4.250 1.00 1.00 H new ATOM 1122 N VAL A 72 126.724 23.030 4.409 1.00 1.00 N ATOM 1123 CA VAL A 72 126.155 24.157 5.103 1.00 1.00 C ATOM 1124 C VAL A 72 124.631 24.232 4.982 1.00 1.00 C ATOM 1125 O VAL A 72 123.963 24.549 5.965 1.00 1.00 O ATOM 1126 CB VAL A 72 126.784 25.431 4.553 1.00 1.00 C ATOM 1127 CG1 VAL A 72 125.902 26.626 4.891 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.166 25.626 5.177 1.00 1.00 C ATOM 0 H VAL A 72 127.035 23.233 3.459 1.00 1.00 H new ATOM 0 HA VAL A 72 126.371 24.038 6.165 1.00 1.00 H new ATOM 0 HB VAL A 72 126.880 25.348 3.470 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.355 27.536 4.496 1.00 1.00 H new ATOM 0 HG12 VAL A 72 124.917 26.488 4.446 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.803 26.710 5.973 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.617 26.537 4.784 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.068 25.707 6.260 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.799 24.773 4.933 1.00 1.00 H new ATOM 1138 N HIS A 73 124.078 24.041 3.775 1.00 1.00 N ATOM 1139 CA HIS A 73 122.636 24.208 3.572 1.00 1.00 C ATOM 1140 C HIS A 73 121.823 22.929 3.355 1.00 1.00 C ATOM 1141 O HIS A 73 120.605 23.043 3.206 1.00 1.00 O ATOM 1142 CB HIS A 73 122.402 25.150 2.387 1.00 1.00 C ATOM 1143 CG HIS A 73 122.834 26.539 2.770 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.408 27.147 3.941 1.00 1.00 N ATOM 1145 CD2 HIS A 73 123.655 27.449 2.153 1.00 1.00 C ATOM 1146 CE1 HIS A 73 122.969 28.366 3.994 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.739 28.603 2.928 1.00 1.00 N ATOM 0 H HIS A 73 124.599 23.775 2.939 1.00 1.00 H new ATOM 0 HA HIS A 73 122.272 24.614 4.516 1.00 1.00 H new ATOM 0 HB2 HIS A 73 122.964 24.808 1.518 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.349 25.148 2.107 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.159 27.294 1.210 1.00 1.00 H new ATOM 0 HE1 HIS A 73 122.816 29.069 4.800 1.00 1.00 H new ATOM 0 HE2 HIS A 73 124.274 29.448 2.725 1.00 1.00 H new ATOM 1155 N LEU A 74 122.423 21.731 3.271 1.00 1.00 N ATOM 1156 CA LEU A 74 121.577 20.558 2.996 1.00 1.00 C ATOM 1157 C LEU A 74 121.912 19.298 3.780 1.00 1.00 C ATOM 1158 O LEU A 74 123.005 19.153 4.326 1.00 1.00 O ATOM 1159 CB LEU A 74 121.636 20.204 1.510 1.00 1.00 C ATOM 1160 CG LEU A 74 120.927 21.266 0.661 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.940 22.269 0.118 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.245 20.566 -0.507 1.00 1.00 C ATOM 0 H LEU A 74 123.421 21.552 3.381 1.00 1.00 H new ATOM 0 HA LEU A 74 120.584 20.871 3.318 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.676 20.117 1.195 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.170 19.232 1.346 1.00 1.00 H new ATOM 0 HG LEU A 74 120.198 21.798 1.273 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.424 23.018 -0.483 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.449 22.758 0.949 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.672 21.749 -0.500 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.734 21.304 -1.125 1.00 1.00 H new ATOM 0 HD22 LEU A 74 120.992 20.046 -1.106 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.520 19.846 -0.127 1.00 1.00 H new ATOM 1174 N HIS A 75 120.983 18.350 3.728 1.00 1.00 N ATOM 1175 CA HIS A 75 121.176 17.039 4.324 1.00 1.00 C ATOM 1176 C HIS A 75 121.196 16.070 3.143 1.00 1.00 C ATOM 1177 O HIS A 75 120.260 16.066 2.343 1.00 1.00 O ATOM 1178 CB HIS A 75 120.043 16.702 5.301 1.00 1.00 C ATOM 1179 CG HIS A 75 120.314 17.363 6.630 1.00 1.00 C ATOM 1180 ND1 HIS A 75 119.348 18.090 7.309 1.00 1.00 N ATOM 1181 CD2 HIS A 75 121.437 17.411 7.419 1.00 1.00 C ATOM 1182 CE1 HIS A 75 119.904 18.541 8.451 1.00 1.00 C ATOM 1183 NE2 HIS A 75 121.176 18.155 8.566 1.00 1.00 N ATOM 0 H HIS A 75 120.078 18.471 3.272 1.00 1.00 H new ATOM 0 HA HIS A 75 122.095 16.987 4.908 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.089 17.044 4.900 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.967 15.622 5.428 1.00 1.00 H new ATOM 0 HD2 HIS A 75 122.381 16.942 7.185 1.00 1.00 H new ATOM 0 HE1 HIS A 75 119.384 19.141 9.183 1.00 1.00 H new ATOM 0 HE2 HIS A 75 121.819 18.361 9.330 1.00 1.00 H new ATOM 1191 N MET A 76 122.262 15.285 2.999 1.00 1.00 N ATOM 1192 CA MET A 76 122.359 14.371 1.858 1.00 1.00 C ATOM 1193 C MET A 76 122.040 12.933 2.234 1.00 1.00 C ATOM 1194 O MET A 76 122.524 12.407 3.237 1.00 1.00 O ATOM 1195 CB MET A 76 123.760 14.443 1.242 1.00 1.00 C ATOM 1196 CG MET A 76 123.820 13.532 0.010 1.00 1.00 C ATOM 1197 SD MET A 76 124.451 14.467 -1.409 1.00 1.00 S ATOM 1198 CE MET A 76 122.876 15.133 -2.003 1.00 1.00 C ATOM 0 H MET A 76 123.055 15.260 3.640 1.00 1.00 H new ATOM 0 HA MET A 76 121.614 14.692 1.130 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.994 15.470 0.961 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.507 14.135 1.973 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.464 12.676 0.210 1.00 1.00 H new ATOM 0 HG3 MET A 76 122.828 13.139 -0.213 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.060 15.818 -2.831 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.240 14.315 -2.342 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.379 15.668 -1.194 1.00 1.00 H new ATOM 1208 N VAL A 77 121.231 12.301 1.386 1.00 1.00 N ATOM 1209 CA VAL A 77 120.842 10.916 1.582 1.00 1.00 C ATOM 1210 C VAL A 77 121.178 10.132 0.321 1.00 1.00 C ATOM 1211 O VAL A 77 120.850 10.561 -0.785 1.00 1.00 O ATOM 1212 CB VAL A 77 119.341 10.847 1.854 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.851 9.400 1.756 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.056 11.382 3.257 1.00 1.00 C ATOM 0 H VAL A 77 120.833 12.734 0.553 1.00 1.00 H new ATOM 0 HA VAL A 77 121.377 10.490 2.431 1.00 1.00 H new ATOM 0 HB VAL A 77 118.818 11.451 1.112 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.779 9.365 1.952 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.050 9.016 0.756 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.375 8.788 2.491 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.985 11.334 3.454 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.588 10.777 3.992 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.392 12.417 3.327 1.00 1.00 H new ATOM 1224 N GLU A 78 121.836 8.996 0.490 1.00 1.00 N ATOM 1225 CA GLU A 78 122.214 8.176 -0.652 1.00 1.00 C ATOM 1226 C GLU A 78 121.223 7.041 -0.857 1.00 1.00 C ATOM 1227 O GLU A 78 120.949 6.260 0.056 1.00 1.00 O ATOM 1228 CB GLU A 78 123.624 7.615 -0.453 1.00 1.00 C ATOM 1229 CG GLU A 78 124.033 6.804 -1.685 1.00 1.00 C ATOM 1230 CD GLU A 78 125.496 6.386 -1.567 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.186 6.951 -0.737 1.00 1.00 O ATOM 1232 OE2 GLU A 78 125.903 5.512 -2.313 1.00 1.00 O ATOM 0 H GLU A 78 122.117 8.623 1.397 1.00 1.00 H new ATOM 0 HA GLU A 78 122.203 8.804 -1.543 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.330 8.429 -0.290 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.653 6.985 0.436 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.400 5.922 -1.778 1.00 1.00 H new ATOM 0 HG3 GLU A 78 123.887 7.398 -2.587 1.00 1.00 H new ATOM 1239 N VAL A 79 120.700 6.950 -2.078 1.00 1.00 N ATOM 1240 CA VAL A 79 119.756 5.905 -2.430 1.00 1.00 C ATOM 1241 C VAL A 79 120.260 5.207 -3.686 1.00 1.00 C ATOM 1242 O VAL A 79 120.106 5.710 -4.798 1.00 1.00 O ATOM 1243 CB VAL A 79 118.368 6.509 -2.700 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.293 5.447 -2.462 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.115 7.711 -1.778 1.00 1.00 C ATOM 0 H VAL A 79 120.919 7.593 -2.839 1.00 1.00 H new ATOM 0 HA VAL A 79 119.671 5.195 -1.607 1.00 1.00 H new ATOM 0 HB VAL A 79 118.329 6.847 -3.735 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.309 5.876 -2.654 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.459 4.605 -3.134 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.344 5.103 -1.429 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.128 8.126 -1.983 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.164 7.388 -0.738 1.00 1.00 H new ATOM 0 HG23 VAL A 79 118.873 8.473 -1.958 1.00 1.00 H new ATOM 1255 N ASP A 80 120.978 4.106 -3.469 1.00 1.00 N ATOM 1256 CA ASP A 80 121.645 3.418 -4.573 1.00 1.00 C ATOM 1257 C ASP A 80 121.038 2.089 -4.996 1.00 1.00 C ATOM 1258 O ASP A 80 120.581 1.315 -4.152 1.00 1.00 O ATOM 1259 CB ASP A 80 123.103 3.178 -4.186 1.00 1.00 C ATOM 1260 CG ASP A 80 123.171 2.285 -2.953 1.00 1.00 C ATOM 1261 OD1 ASP A 80 122.120 1.957 -2.427 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.272 1.950 -2.547 1.00 1.00 O ATOM 0 H ASP A 80 121.112 3.676 -2.554 1.00 1.00 H new ATOM 0 HA ASP A 80 121.528 4.078 -5.433 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.636 2.711 -5.014 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.596 4.129 -3.985 1.00 1.00 H new ATOM 1267 N PHE A 81 121.089 1.797 -6.295 1.00 1.00 N ATOM 1268 CA PHE A 81 120.593 0.521 -6.800 1.00 1.00 C ATOM 1269 C PHE A 81 121.716 -0.188 -7.565 1.00 1.00 C ATOM 1270 O PHE A 81 121.711 -0.213 -8.792 1.00 1.00 O ATOM 1271 CB PHE A 81 119.399 0.753 -7.729 1.00 1.00 C ATOM 1272 CG PHE A 81 118.177 1.052 -6.896 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.364 0.006 -6.444 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.857 2.375 -6.570 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.234 0.283 -5.666 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.728 2.651 -5.791 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.915 1.606 -5.341 1.00 1.00 C ATOM 0 H PHE A 81 121.465 2.421 -7.009 1.00 1.00 H new ATOM 0 HA PHE A 81 120.271 -0.099 -5.963 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.605 1.582 -8.406 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.227 -0.128 -8.347 1.00 1.00 H new ATOM 0 HD1 PHE A 81 117.609 -1.015 -6.696 1.00 1.00 H new ATOM 0 HD2 PHE A 81 118.482 3.183 -6.920 1.00 1.00 H new ATOM 0 HE1 PHE A 81 115.608 -0.525 -5.316 1.00 1.00 H new ATOM 0 HE2 PHE A 81 116.484 3.672 -5.537 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.041 1.820 -4.743 1.00 1.00 H new ATOM 1287 N PRO A 82 122.684 -0.742 -6.863 1.00 1.00 N ATOM 1288 CA PRO A 82 123.846 -1.441 -7.496 1.00 1.00 C ATOM 1289 C PRO A 82 123.500 -2.809 -8.093 1.00 1.00 C ATOM 1290 O PRO A 82 122.493 -3.415 -7.726 1.00 1.00 O ATOM 1291 CB PRO A 82 124.862 -1.570 -6.359 1.00 1.00 C ATOM 1292 CG PRO A 82 124.074 -1.519 -5.091 1.00 1.00 C ATOM 1293 CD PRO A 82 122.777 -0.765 -5.387 1.00 1.00 C ATOM 0 HA PRO A 82 124.219 -0.879 -8.352 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.416 -2.505 -6.436 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.593 -0.762 -6.396 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.859 -2.526 -4.732 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.640 -1.015 -4.308 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.917 -1.267 -4.944 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.803 0.244 -4.976 1.00 1.00 H new ATOM 1301 N GLN A 83 124.362 -3.300 -8.989 1.00 1.00 N ATOM 1302 CA GLN A 83 124.146 -4.617 -9.592 1.00 1.00 C ATOM 1303 C GLN A 83 124.432 -5.699 -8.557 1.00 1.00 C ATOM 1304 O GLN A 83 123.675 -6.661 -8.420 1.00 1.00 O ATOM 1305 CB GLN A 83 125.077 -4.841 -10.795 1.00 1.00 C ATOM 1306 CG GLN A 83 124.768 -3.841 -11.910 1.00 1.00 C ATOM 1307 CD GLN A 83 125.665 -4.109 -13.115 1.00 1.00 C ATOM 1308 OE1 GLN A 83 125.308 -4.895 -13.991 1.00 1.00 O ATOM 1309 NE2 GLN A 83 126.821 -3.507 -13.208 1.00 1.00 N ATOM 0 H GLN A 83 125.201 -2.815 -9.308 1.00 1.00 H new ATOM 0 HA GLN A 83 123.111 -4.665 -9.931 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.116 -4.735 -10.482 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.959 -5.858 -11.169 1.00 1.00 H new ATOM 0 HG2 GLN A 83 123.721 -3.921 -12.201 1.00 1.00 H new ATOM 0 HG3 GLN A 83 124.922 -2.824 -11.550 1.00 1.00 H new ATOM 0 HE21 GLN A 83 127.117 -2.855 -12.481 1.00 1.00 H new ATOM 0 HE22 GLN A 83 127.428 -3.689 -14.007 1.00 1.00 H new ATOM 1318 N LYS A 84 125.501 -5.501 -7.796 1.00 1.00 N ATOM 1319 CA LYS A 84 125.857 -6.417 -6.732 1.00 1.00 C ATOM 1320 C LYS A 84 125.381 -5.801 -5.434 1.00 1.00 C ATOM 1321 O LYS A 84 125.998 -4.896 -4.876 1.00 1.00 O ATOM 1322 CB LYS A 84 127.362 -6.634 -6.688 1.00 1.00 C ATOM 1323 CG LYS A 84 127.667 -8.006 -6.084 1.00 1.00 C ATOM 1324 CD LYS A 84 129.166 -8.255 -6.160 1.00 1.00 C ATOM 1325 CE LYS A 84 129.495 -9.617 -5.552 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.965 -9.847 -5.634 1.00 1.00 N ATOM 0 H LYS A 84 126.136 -4.709 -7.901 1.00 1.00 H new ATOM 0 HA LYS A 84 125.392 -7.389 -6.897 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.778 -6.568 -7.693 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.835 -5.851 -6.095 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.330 -8.045 -5.048 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.128 -8.784 -6.624 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.498 -8.220 -7.198 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.702 -7.469 -5.627 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.166 -9.654 -4.513 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.961 -10.405 -6.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.195 -10.773 -5.221 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.264 -9.828 -6.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.463 -9.101 -5.108 1.00 1.00 H new ATOM 1340 N ASN A 85 124.250 -6.298 -5.002 1.00 1.00 N ATOM 1341 CA ASN A 85 123.604 -5.807 -3.790 1.00 1.00 C ATOM 1342 C ASN A 85 124.073 -6.527 -2.528 1.00 1.00 C ATOM 1343 O ASN A 85 123.980 -7.748 -2.396 1.00 1.00 O ATOM 1344 CB ASN A 85 122.086 -5.952 -3.918 1.00 1.00 C ATOM 1345 CG ASN A 85 121.390 -5.057 -2.898 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.941 -4.780 -1.832 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.203 -4.584 -3.162 1.00 1.00 N ATOM 0 H ASN A 85 123.745 -7.051 -5.470 1.00 1.00 H new ATOM 0 HA ASN A 85 123.885 -4.759 -3.688 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.770 -5.683 -4.926 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.797 -6.991 -3.760 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.731 -3.984 -2.485 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.747 -4.814 -4.045 1.00 1.00 H new ATOM 1354 N HIS A 86 124.562 -5.707 -1.606 1.00 1.00 N ATOM 1355 CA HIS A 86 125.042 -6.208 -0.321 1.00 1.00 C ATOM 1356 C HIS A 86 124.395 -5.424 0.808 1.00 1.00 C ATOM 1357 O HIS A 86 124.836 -5.491 1.956 1.00 1.00 O ATOM 1358 CB HIS A 86 126.560 -6.047 -0.213 1.00 1.00 C ATOM 1359 CG HIS A 86 127.248 -6.897 -1.241 1.00 1.00 C ATOM 1360 ND1 HIS A 86 128.455 -6.525 -1.808 1.00 1.00 N ATOM 1361 CD2 HIS A 86 126.920 -8.104 -1.809 1.00 1.00 C ATOM 1362 CE1 HIS A 86 128.810 -7.489 -2.674 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.909 -8.476 -2.715 1.00 1.00 N ATOM 0 H HIS A 86 124.637 -4.696 -1.722 1.00 1.00 H new ATOM 0 HA HIS A 86 124.782 -7.264 -0.249 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.833 -5.001 -0.354 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.893 -6.331 0.785 1.00 1.00 H new ATOM 0 HD1 HIS A 86 128.979 -5.674 -1.605 1.00 1.00 H new ATOM 0 HD2 HIS A 86 126.031 -8.676 -1.587 1.00 1.00 H new ATOM 0 HE1 HIS A 86 129.714 -7.469 -3.265 1.00 1.00 H new ATOM 1371 N GLN A 87 123.348 -4.682 0.483 1.00 1.00 N ATOM 1372 CA GLN A 87 122.651 -3.895 1.486 1.00 1.00 C ATOM 1373 C GLN A 87 121.676 -4.778 2.263 1.00 1.00 C ATOM 1374 O GLN A 87 121.167 -5.764 1.727 1.00 1.00 O ATOM 1375 CB GLN A 87 121.893 -2.754 0.803 1.00 1.00 C ATOM 1376 CG GLN A 87 122.885 -1.656 0.412 1.00 1.00 C ATOM 1377 CD GLN A 87 122.924 -0.580 1.488 1.00 1.00 C ATOM 1378 OE1 GLN A 87 123.304 -0.853 2.627 1.00 1.00 O ATOM 1379 NE2 GLN A 87 122.549 0.633 1.193 1.00 1.00 N ATOM 0 H GLN A 87 122.965 -4.609 -0.460 1.00 1.00 H new ATOM 0 HA GLN A 87 123.378 -3.479 2.184 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.374 -3.124 -0.081 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.133 -2.353 1.474 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.879 -2.084 0.278 1.00 1.00 H new ATOM 0 HG3 GLN A 87 122.596 -1.217 -0.543 1.00 1.00 H new ATOM 0 HE21 GLN A 87 122.235 0.854 0.248 1.00 1.00 H new ATOM 0 HE22 GLN A 87 122.570 1.361 1.907 1.00 1.00 H new ATOM 1388 N PRO A 88 121.398 -4.462 3.503 1.00 1.00 N ATOM 1389 CA PRO A 88 120.456 -5.269 4.326 1.00 1.00 C ATOM 1390 C PRO A 88 119.027 -5.153 3.807 1.00 1.00 C ATOM 1391 O PRO A 88 118.678 -4.177 3.142 1.00 1.00 O ATOM 1392 CB PRO A 88 120.594 -4.691 5.735 1.00 1.00 C ATOM 1393 CG PRO A 88 121.139 -3.314 5.557 1.00 1.00 C ATOM 1394 CD PRO A 88 121.938 -3.315 4.253 1.00 1.00 C ATOM 0 HA PRO A 88 120.685 -6.334 4.296 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.631 -4.668 6.244 1.00 1.00 H new ATOM 0 HB3 PRO A 88 121.262 -5.300 6.344 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.332 -2.582 5.514 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.775 -3.039 6.399 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.807 -2.382 3.704 1.00 1.00 H new ATOM 0 HD3 PRO A 88 123.006 -3.428 4.440 1.00 1.00 H new ATOM 1402 N GLU A 89 118.214 -6.169 4.070 1.00 1.00 N ATOM 1403 CA GLU A 89 116.841 -6.182 3.585 1.00 1.00 C ATOM 1404 C GLU A 89 116.102 -4.891 3.918 1.00 1.00 C ATOM 1405 O GLU A 89 115.437 -4.328 3.056 1.00 1.00 O ATOM 1406 CB GLU A 89 116.078 -7.349 4.206 1.00 1.00 C ATOM 1407 CG GLU A 89 116.641 -8.677 3.699 1.00 1.00 C ATOM 1408 CD GLU A 89 115.930 -9.831 4.401 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.975 -9.566 5.112 1.00 1.00 O ATOM 1410 OE2 GLU A 89 116.342 -10.962 4.210 1.00 1.00 O ATOM 0 H GLU A 89 118.480 -6.990 4.613 1.00 1.00 H new ATOM 0 HA GLU A 89 116.888 -6.285 2.501 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.153 -7.305 5.293 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.020 -7.275 3.956 1.00 1.00 H new ATOM 0 HG2 GLU A 89 116.505 -8.754 2.620 1.00 1.00 H new ATOM 0 HG3 GLU A 89 117.713 -8.726 3.889 1.00 1.00 H new ATOM 1417 N GLU A 90 116.186 -4.428 5.162 1.00 1.00 N ATOM 1418 CA GLU A 90 115.460 -3.219 5.552 1.00 1.00 C ATOM 1419 C GLU A 90 115.844 -2.025 4.691 1.00 1.00 C ATOM 1420 O GLU A 90 114.993 -1.213 4.330 1.00 1.00 O ATOM 1421 CB GLU A 90 115.740 -2.882 7.020 1.00 1.00 C ATOM 1422 CG GLU A 90 115.135 -3.962 7.922 1.00 1.00 C ATOM 1423 CD GLU A 90 115.442 -3.652 9.383 1.00 1.00 C ATOM 1424 OE1 GLU A 90 116.062 -2.632 9.635 1.00 1.00 O ATOM 1425 OE2 GLU A 90 115.053 -4.442 10.227 1.00 1.00 O ATOM 0 H GLU A 90 116.736 -4.859 5.905 1.00 1.00 H new ATOM 0 HA GLU A 90 114.399 -3.422 5.409 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.815 -2.814 7.189 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.316 -1.909 7.267 1.00 1.00 H new ATOM 0 HG2 GLU A 90 114.057 -4.012 7.771 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.540 -4.939 7.656 1.00 1.00 H new ATOM 1432 N GLN A 91 117.120 -1.922 4.361 1.00 1.00 N ATOM 1433 CA GLN A 91 117.587 -0.814 3.540 1.00 1.00 C ATOM 1434 C GLN A 91 117.099 -0.973 2.107 1.00 1.00 C ATOM 1435 O GLN A 91 116.720 0.010 1.469 1.00 1.00 O ATOM 1436 CB GLN A 91 119.117 -0.738 3.578 1.00 1.00 C ATOM 1437 CG GLN A 91 119.609 0.468 2.767 1.00 1.00 C ATOM 1438 CD GLN A 91 119.099 1.764 3.392 1.00 1.00 C ATOM 1439 OE1 GLN A 91 119.044 1.887 4.616 1.00 1.00 O ATOM 1440 NE2 GLN A 91 118.720 2.744 2.616 1.00 1.00 N ATOM 0 H GLN A 91 117.844 -2.582 4.644 1.00 1.00 H new ATOM 0 HA GLN A 91 117.181 0.114 3.941 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.459 -0.655 4.610 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.544 -1.656 3.174 1.00 1.00 H new ATOM 0 HG2 GLN A 91 120.699 0.475 2.735 1.00 1.00 H new ATOM 0 HG3 GLN A 91 119.261 0.390 1.737 1.00 1.00 H new ATOM 0 HE21 GLN A 91 118.767 2.639 1.602 1.00 1.00 H new ATOM 0 HE22 GLN A 91 118.377 3.614 3.024 1.00 1.00 H new ATOM 1449 N ARG A 92 117.102 -2.197 1.595 1.00 1.00 N ATOM 1450 CA ARG A 92 116.653 -2.437 0.233 1.00 1.00 C ATOM 1451 C ARG A 92 115.162 -2.110 0.098 1.00 1.00 C ATOM 1452 O ARG A 92 114.744 -1.501 -0.891 1.00 1.00 O ATOM 1453 CB ARG A 92 116.910 -3.899 -0.148 1.00 1.00 C ATOM 1454 CG ARG A 92 118.421 -4.141 -0.258 1.00 1.00 C ATOM 1455 CD ARG A 92 118.677 -5.616 -0.573 1.00 1.00 C ATOM 1456 NE ARG A 92 118.079 -5.958 -1.857 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.998 -7.216 -2.273 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.486 -8.184 -1.549 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.427 -7.479 -3.414 1.00 1.00 N ATOM 0 H ARG A 92 117.407 -3.030 2.098 1.00 1.00 H new ATOM 0 HA ARG A 92 117.212 -1.789 -0.442 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.478 -4.562 0.601 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.424 -4.130 -1.096 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.845 -3.512 -1.040 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.913 -3.866 0.675 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.749 -5.811 -0.597 1.00 1.00 H new ATOM 0 HD3 ARG A 92 118.256 -6.243 0.213 1.00 1.00 H new ATOM 0 HE ARG A 92 117.714 -5.213 -2.450 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.934 -7.977 -0.656 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.420 -9.148 -1.875 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.046 -6.721 -3.980 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.361 -8.443 -3.741 1.00 1.00 H new ATOM 1473 N GLN A 93 114.359 -2.510 1.085 1.00 1.00 N ATOM 1474 CA GLN A 93 112.918 -2.245 1.045 1.00 1.00 C ATOM 1475 C GLN A 93 112.642 -0.748 1.064 1.00 1.00 C ATOM 1476 O GLN A 93 111.831 -0.249 0.283 1.00 1.00 O ATOM 1477 CB GLN A 93 112.235 -2.883 2.260 1.00 1.00 C ATOM 1478 CG GLN A 93 112.361 -4.404 2.173 1.00 1.00 C ATOM 1479 CD GLN A 93 111.728 -5.072 3.395 1.00 1.00 C ATOM 1480 OE1 GLN A 93 111.450 -6.271 3.370 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.495 -4.372 4.472 1.00 1.00 N ATOM 0 H GLN A 93 114.676 -3.013 1.914 1.00 1.00 H new ATOM 0 HA GLN A 93 112.524 -2.673 0.123 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.693 -2.521 3.180 1.00 1.00 H new ATOM 0 HB3 GLN A 93 111.184 -2.595 2.293 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.876 -4.762 1.265 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.412 -4.683 2.104 1.00 1.00 H new ATOM 0 HE21 GLN A 93 111.725 -3.378 4.494 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.083 -4.819 5.291 1.00 1.00 H new ATOM 1490 N LYS A 94 113.310 -0.037 1.961 1.00 1.00 N ATOM 1491 CA LYS A 94 113.111 1.399 2.069 1.00 1.00 C ATOM 1492 C LYS A 94 113.491 2.098 0.773 1.00 1.00 C ATOM 1493 O LYS A 94 112.787 2.990 0.308 1.00 1.00 O ATOM 1494 CB LYS A 94 113.959 1.949 3.213 1.00 1.00 C ATOM 1495 CG LYS A 94 113.691 3.449 3.372 1.00 1.00 C ATOM 1496 CD LYS A 94 114.379 3.976 4.637 1.00 1.00 C ATOM 1497 CE LYS A 94 115.886 4.114 4.401 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.520 4.725 5.603 1.00 1.00 N ATOM 0 H LYS A 94 113.987 -0.426 2.617 1.00 1.00 H new ATOM 0 HA LYS A 94 112.056 1.587 2.267 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.722 1.426 4.140 1.00 1.00 H new ATOM 0 HB3 LYS A 94 115.016 1.777 3.011 1.00 1.00 H new ATOM 0 HG2 LYS A 94 114.059 3.987 2.498 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.618 3.630 3.430 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.957 4.942 4.914 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.195 3.297 5.470 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.325 3.137 4.201 1.00 1.00 H new ATOM 0 HE3 LYS A 94 116.073 4.733 3.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 117.236 5.417 5.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.794 5.203 6.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 116.974 3.982 6.172 1.00 1.00 H new ATOM 1512 N ASN A 95 114.614 1.693 0.201 1.00 1.00 N ATOM 1513 CA ASN A 95 115.084 2.300 -1.033 1.00 1.00 C ATOM 1514 C ASN A 95 114.060 2.127 -2.153 1.00 1.00 C ATOM 1515 O ASN A 95 113.828 3.061 -2.922 1.00 1.00 O ATOM 1516 CB ASN A 95 116.411 1.662 -1.437 1.00 1.00 C ATOM 1517 CG ASN A 95 117.539 2.200 -0.560 1.00 1.00 C ATOM 1518 OD1 ASN A 95 117.395 3.250 0.068 1.00 1.00 O ATOM 1519 ND2 ASN A 95 118.660 1.536 -0.473 1.00 1.00 N ATOM 0 H ASN A 95 115.212 0.953 0.568 1.00 1.00 H new ATOM 0 HA ASN A 95 115.224 3.368 -0.866 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.348 0.578 -1.338 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.622 1.874 -2.485 1.00 1.00 H new ATOM 0 HD21 ASN A 95 119.416 1.887 0.115 1.00 1.00 H new ATOM 0 HD22 ASN A 95 118.779 0.667 -0.993 1.00 1.00 H new ATOM 1526 N GLN A 96 113.437 0.952 -2.256 1.00 1.00 N ATOM 1527 CA GLN A 96 112.443 0.725 -3.301 1.00 1.00 C ATOM 1528 C GLN A 96 111.215 1.588 -3.058 1.00 1.00 C ATOM 1529 O GLN A 96 110.627 2.126 -3.996 1.00 1.00 O ATOM 1530 CB GLN A 96 112.040 -0.752 -3.336 1.00 1.00 C ATOM 1531 CG GLN A 96 113.224 -1.577 -3.843 1.00 1.00 C ATOM 1532 CD GLN A 96 112.908 -3.065 -3.772 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.797 -3.454 -3.408 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.830 -3.924 -4.107 1.00 1.00 N ATOM 0 H GLN A 96 113.600 0.156 -1.639 1.00 1.00 H new ATOM 0 HA GLN A 96 112.882 0.997 -4.261 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.746 -1.086 -2.341 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.177 -0.892 -3.987 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.456 -1.297 -4.871 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.109 -1.358 -3.246 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.748 -3.596 -4.408 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.633 -4.924 -4.069 1.00 1.00 H new ATOM 1543 N GLU A 97 110.827 1.722 -1.793 1.00 1.00 N ATOM 1544 CA GLU A 97 109.666 2.526 -1.460 1.00 1.00 C ATOM 1545 C GLU A 97 109.904 3.971 -1.861 1.00 1.00 C ATOM 1546 O GLU A 97 109.038 4.618 -2.446 1.00 1.00 O ATOM 1547 CB GLU A 97 109.381 2.446 0.041 1.00 1.00 C ATOM 1548 CG GLU A 97 108.117 3.250 0.365 1.00 1.00 C ATOM 1549 CD GLU A 97 107.766 3.096 1.842 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.285 2.181 2.465 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.981 3.892 2.328 1.00 1.00 O ATOM 0 H GLU A 97 111.294 1.290 -0.996 1.00 1.00 H new ATOM 0 HA GLU A 97 108.805 2.140 -2.005 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.251 1.407 0.342 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.228 2.837 0.604 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.274 4.302 0.128 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.288 2.905 -0.252 1.00 1.00 H new ATOM 1558 N LEU A 98 111.099 4.461 -1.563 1.00 1.00 N ATOM 1559 CA LEU A 98 111.477 5.822 -1.911 1.00 1.00 C ATOM 1560 C LEU A 98 111.540 5.998 -3.419 1.00 1.00 C ATOM 1561 O LEU A 98 111.122 7.018 -3.958 1.00 1.00 O ATOM 1562 CB LEU A 98 112.836 6.156 -1.294 1.00 1.00 C ATOM 1563 CG LEU A 98 112.643 6.838 0.070 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.685 6.032 0.946 1.00 1.00 C ATOM 1565 CD2 LEU A 98 113.993 6.971 0.786 1.00 1.00 C ATOM 0 H LEU A 98 111.826 3.933 -1.079 1.00 1.00 H new ATOM 0 HA LEU A 98 110.721 6.501 -1.516 1.00 1.00 H new ATOM 0 HB2 LEU A 98 113.423 5.246 -1.174 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.396 6.811 -1.961 1.00 1.00 H new ATOM 0 HG LEU A 98 112.219 7.828 -0.101 1.00 1.00 H new ATOM 0 HD11 LEU A 98 111.562 6.532 1.907 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.717 5.955 0.451 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.091 5.033 1.106 1.00 1.00 H new ATOM 0 HD21 LEU A 98 113.847 7.455 1.751 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.423 5.981 0.938 1.00 1.00 H new ATOM 0 HD23 LEU A 98 114.670 7.571 0.178 1.00 1.00 H new ATOM 1577 N LYS A 99 112.058 4.992 -4.095 1.00 1.00 N ATOM 1578 CA LYS A 99 112.157 5.047 -5.531 1.00 1.00 C ATOM 1579 C LYS A 99 110.764 5.161 -6.123 1.00 1.00 C ATOM 1580 O LYS A 99 110.550 5.888 -7.094 1.00 1.00 O ATOM 1581 CB LYS A 99 112.832 3.779 -6.042 1.00 1.00 C ATOM 1582 CG LYS A 99 113.049 3.880 -7.549 1.00 1.00 C ATOM 1583 CD LYS A 99 113.715 2.596 -8.040 1.00 1.00 C ATOM 1584 CE LYS A 99 113.954 2.683 -9.545 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.551 1.402 -10.016 1.00 1.00 N ATOM 0 H LYS A 99 112.413 4.134 -3.672 1.00 1.00 H new ATOM 0 HA LYS A 99 112.749 5.913 -5.827 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.787 3.636 -5.537 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.216 2.910 -5.812 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.097 4.029 -8.058 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.674 4.742 -7.783 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.661 2.444 -7.520 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.084 1.737 -7.811 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.015 2.874 -10.065 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.620 3.515 -9.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.717 1.453 -11.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.454 1.239 -9.526 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.899 0.618 -9.809 1.00 1.00 H new ATOM 1599 N ALA A 100 109.815 4.438 -5.539 1.00 1.00 N ATOM 1600 CA ALA A 100 108.448 4.459 -6.016 1.00 1.00 C ATOM 1601 C ALA A 100 107.681 5.663 -5.478 1.00 1.00 C ATOM 1602 O ALA A 100 106.853 6.243 -6.177 1.00 1.00 O ATOM 1603 CB ALA A 100 107.747 3.190 -5.569 1.00 1.00 C ATOM 0 H ALA A 100 109.973 3.831 -4.734 1.00 1.00 H new ATOM 0 HA ALA A 100 108.471 4.528 -7.104 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.717 3.199 -5.925 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.265 2.324 -5.980 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.755 3.134 -4.480 1.00 1.00 H new ATOM 1609 N GLN A 101 107.933 6.017 -4.222 1.00 1.00 N ATOM 1610 CA GLN A 101 107.230 7.117 -3.604 1.00 1.00 C ATOM 1611 C GLN A 101 107.559 8.429 -4.295 1.00 1.00 C ATOM 1612 O GLN A 101 106.697 9.294 -4.452 1.00 1.00 O ATOM 1613 CB GLN A 101 107.555 7.156 -2.113 1.00 1.00 C ATOM 1614 CG GLN A 101 106.846 8.330 -1.459 1.00 1.00 C ATOM 1615 CD GLN A 101 107.032 8.269 0.054 1.00 1.00 C ATOM 1616 OE1 GLN A 101 107.380 7.220 0.592 1.00 1.00 O ATOM 1617 NE2 GLN A 101 106.822 9.335 0.777 1.00 1.00 N ATOM 0 H GLN A 101 108.616 5.556 -3.621 1.00 1.00 H new ATOM 0 HA GLN A 101 106.156 6.967 -3.714 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.246 6.224 -1.640 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.632 7.244 -1.969 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.244 9.268 -1.846 1.00 1.00 H new ATOM 0 HG3 GLN A 101 105.784 8.308 -1.705 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.533 10.205 0.330 1.00 1.00 H new ATOM 0 HE22 GLN A 101 106.947 9.298 1.789 1.00 1.00 H new ATOM 1626 N TYR A 102 108.821 8.587 -4.676 1.00 1.00 N ATOM 1627 CA TYR A 102 109.280 9.810 -5.315 1.00 1.00 C ATOM 1628 C TYR A 102 109.125 9.736 -6.836 1.00 1.00 C ATOM 1629 O TYR A 102 109.561 10.624 -7.569 1.00 1.00 O ATOM 1630 CB TYR A 102 110.752 10.058 -4.949 1.00 1.00 C ATOM 1631 CG TYR A 102 110.850 10.556 -3.518 1.00 1.00 C ATOM 1632 CD1 TYR A 102 110.542 9.693 -2.455 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.238 11.877 -3.248 1.00 1.00 C ATOM 1634 CE1 TYR A 102 110.623 10.144 -1.135 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.316 12.323 -1.925 1.00 1.00 C ATOM 1636 CZ TYR A 102 111.009 11.458 -0.870 1.00 1.00 C ATOM 1637 OH TYR A 102 111.086 11.902 0.432 1.00 1.00 O ATOM 0 H TYR A 102 109.545 7.880 -4.552 1.00 1.00 H new ATOM 0 HA TYR A 102 108.666 10.636 -4.956 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.325 9.138 -5.063 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.187 10.790 -5.629 1.00 1.00 H new ATOM 0 HD1 TYR A 102 110.241 8.676 -2.658 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.476 12.548 -4.060 1.00 1.00 H new ATOM 0 HE1 TYR A 102 110.387 9.476 -0.320 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.615 13.340 -1.717 1.00 1.00 H new ATOM 0 HH TYR A 102 110.365 12.544 0.602 1.00 1.00 H new ATOM 1647 N LYS A 103 108.477 8.659 -7.288 1.00 1.00 N ATOM 1648 CA LYS A 103 108.234 8.467 -8.712 1.00 1.00 C ATOM 1649 C LYS A 103 109.546 8.583 -9.478 1.00 1.00 C ATOM 1650 O LYS A 103 109.616 9.261 -10.503 1.00 1.00 O ATOM 1651 CB LYS A 103 107.244 9.519 -9.222 1.00 1.00 C ATOM 1652 CG LYS A 103 105.885 9.315 -8.547 1.00 1.00 C ATOM 1653 CD LYS A 103 104.900 10.384 -9.034 1.00 1.00 C ATOM 1654 CE LYS A 103 103.564 10.221 -8.306 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.902 8.960 -8.747 1.00 1.00 N ATOM 0 H LYS A 103 108.116 7.915 -6.691 1.00 1.00 H new ATOM 0 HA LYS A 103 107.811 7.475 -8.869 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.620 10.520 -9.010 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.139 9.440 -10.304 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.500 8.321 -8.776 1.00 1.00 H new ATOM 0 HG3 LYS A 103 105.994 9.373 -7.464 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.307 11.378 -8.850 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.753 10.294 -10.110 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.726 10.200 -7.228 1.00 1.00 H new ATOM 0 HE3 LYS A 103 102.919 11.074 -8.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.908 8.965 -8.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 102.946 8.889 -9.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 103.390 8.145 -8.323 1.00 1.00 H new ATOM 1669 N VAL A 104 110.582 7.930 -8.978 1.00 1.00 N ATOM 1670 CA VAL A 104 111.877 7.985 -9.630 1.00 1.00 C ATOM 1671 C VAL A 104 111.982 6.877 -10.673 1.00 1.00 C ATOM 1672 O VAL A 104 111.762 5.704 -10.366 1.00 1.00 O ATOM 1673 CB VAL A 104 112.989 7.836 -8.596 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.340 7.779 -9.306 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.970 9.036 -7.648 1.00 1.00 C ATOM 0 H VAL A 104 110.552 7.362 -8.132 1.00 1.00 H new ATOM 0 HA VAL A 104 111.983 8.950 -10.126 1.00 1.00 H new ATOM 0 HB VAL A 104 112.833 6.919 -8.028 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.135 7.673 -8.568 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.359 6.926 -9.985 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.492 8.697 -9.873 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.765 8.929 -6.910 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.125 9.952 -8.218 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.007 9.083 -7.140 1.00 1.00 H new ATOM 1685 N THR A 105 112.292 7.257 -11.915 1.00 1.00 N ATOM 1686 CA THR A 105 112.387 6.303 -13.006 1.00 1.00 C ATOM 1687 C THR A 105 113.790 6.262 -13.597 1.00 1.00 C ATOM 1688 O THR A 105 114.390 5.197 -13.738 1.00 1.00 O ATOM 1689 CB THR A 105 111.394 6.697 -14.096 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.553 8.079 -14.399 1.00 1.00 O ATOM 1691 CG2 THR A 105 109.968 6.441 -13.606 1.00 1.00 C ATOM 0 H THR A 105 112.481 8.223 -12.184 1.00 1.00 H new ATOM 0 HA THR A 105 112.158 5.312 -12.614 1.00 1.00 H new ATOM 0 HB THR A 105 111.579 6.103 -14.991 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.918 8.335 -15.100 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.260 6.723 -14.385 1.00 1.00 H new ATOM 0 HG22 THR A 105 109.848 5.383 -13.372 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.779 7.034 -12.712 1.00 1.00 H new ATOM 1699 N GLY A 106 114.298 7.437 -13.955 1.00 1.00 N ATOM 1700 CA GLY A 106 115.623 7.540 -14.555 1.00 1.00 C ATOM 1701 C GLY A 106 116.647 8.129 -13.589 1.00 1.00 C ATOM 1702 O GLY A 106 116.306 8.868 -12.669 1.00 1.00 O ATOM 0 H GLY A 106 113.814 8.328 -13.841 1.00 1.00 H new ATOM 0 HA2 GLY A 106 115.953 6.552 -14.875 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.568 8.162 -15.448 1.00 1.00 H new ATOM 1706 N PHE A 107 117.907 7.786 -13.825 1.00 1.00 N ATOM 1707 CA PHE A 107 119.018 8.267 -13.003 1.00 1.00 C ATOM 1708 C PHE A 107 120.095 8.877 -13.908 1.00 1.00 C ATOM 1709 O PHE A 107 120.164 8.548 -15.092 1.00 1.00 O ATOM 1710 CB PHE A 107 119.600 7.094 -12.215 1.00 1.00 C ATOM 1711 CG PHE A 107 118.968 5.817 -12.708 1.00 1.00 C ATOM 1712 CD1 PHE A 107 117.734 5.400 -12.193 1.00 1.00 C ATOM 1713 CD2 PHE A 107 119.611 5.053 -13.687 1.00 1.00 C ATOM 1714 CE1 PHE A 107 117.142 4.220 -12.657 1.00 1.00 C ATOM 1715 CE2 PHE A 107 119.020 3.871 -14.154 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.785 3.453 -13.638 1.00 1.00 C ATOM 0 H PHE A 107 118.190 7.170 -14.587 1.00 1.00 H new ATOM 0 HA PHE A 107 118.664 9.029 -12.309 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.682 7.053 -12.342 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.409 7.223 -11.150 1.00 1.00 H new ATOM 0 HD1 PHE A 107 117.238 5.990 -11.436 1.00 1.00 H new ATOM 0 HD2 PHE A 107 120.563 5.374 -14.083 1.00 1.00 H new ATOM 0 HE1 PHE A 107 116.190 3.901 -12.259 1.00 1.00 H new ATOM 0 HE2 PHE A 107 119.516 3.282 -14.911 1.00 1.00 H new ATOM 0 HZ PHE A 107 117.330 2.541 -13.996 1.00 1.00 H new ATOM 1726 N PRO A 108 120.930 9.748 -13.392 1.00 1.00 N ATOM 1727 CA PRO A 108 120.904 10.191 -11.966 1.00 1.00 C ATOM 1728 C PRO A 108 119.878 11.286 -11.713 1.00 1.00 C ATOM 1729 O PRO A 108 119.665 12.149 -12.566 1.00 1.00 O ATOM 1730 CB PRO A 108 122.312 10.732 -11.752 1.00 1.00 C ATOM 1731 CG PRO A 108 122.714 11.280 -13.084 1.00 1.00 C ATOM 1732 CD PRO A 108 122.003 10.427 -14.140 1.00 1.00 C ATOM 0 HA PRO A 108 120.626 9.381 -11.291 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.327 11.506 -10.985 1.00 1.00 H new ATOM 0 HB3 PRO A 108 122.993 9.946 -11.425 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.427 12.328 -13.175 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.795 11.233 -13.212 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.600 11.043 -14.944 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.685 9.710 -14.598 1.00 1.00 H new ATOM 1740 N GLU A 109 119.262 11.274 -10.533 1.00 1.00 N ATOM 1741 CA GLU A 109 118.285 12.301 -10.201 1.00 1.00 C ATOM 1742 C GLU A 109 118.422 12.737 -8.754 1.00 1.00 C ATOM 1743 O GLU A 109 118.444 11.909 -7.845 1.00 1.00 O ATOM 1744 CB GLU A 109 116.866 11.803 -10.441 1.00 1.00 C ATOM 1745 CG GLU A 109 116.619 11.667 -11.943 1.00 1.00 C ATOM 1746 CD GLU A 109 115.197 11.176 -12.186 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.497 10.944 -11.213 1.00 1.00 O ATOM 1748 OE2 GLU A 109 114.827 11.039 -13.340 1.00 1.00 O ATOM 0 H GLU A 109 119.419 10.577 -9.805 1.00 1.00 H new ATOM 0 HA GLU A 109 118.480 13.154 -10.851 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.719 10.841 -9.949 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.147 12.497 -10.005 1.00 1.00 H new ATOM 0 HG2 GLU A 109 116.772 12.628 -12.435 1.00 1.00 H new ATOM 0 HG3 GLU A 109 117.335 10.969 -12.378 1.00 1.00 H new ATOM 1755 N LEU A 110 118.475 14.043 -8.549 1.00 1.00 N ATOM 1756 CA LEU A 110 118.566 14.612 -7.217 1.00 1.00 C ATOM 1757 C LEU A 110 117.283 15.391 -6.970 1.00 1.00 C ATOM 1758 O LEU A 110 116.928 16.283 -7.741 1.00 1.00 O ATOM 1759 CB LEU A 110 119.791 15.542 -7.137 1.00 1.00 C ATOM 1760 CG LEU A 110 120.555 15.382 -5.803 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.961 15.956 -5.973 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.861 16.152 -4.673 1.00 1.00 C ATOM 0 H LEU A 110 118.456 14.735 -9.298 1.00 1.00 H new ATOM 0 HA LEU A 110 118.685 13.835 -6.462 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.463 15.328 -7.968 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.468 16.577 -7.248 1.00 1.00 H new ATOM 0 HG LEU A 110 120.584 14.323 -5.547 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.513 15.850 -5.039 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.481 15.417 -6.765 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.894 17.011 -6.237 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.420 16.021 -3.747 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.820 17.211 -4.926 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.848 15.771 -4.542 1.00 1.00 H new ATOM 1774 N VAL A 111 116.581 15.020 -5.913 1.00 1.00 N ATOM 1775 CA VAL A 111 115.310 15.655 -5.581 1.00 1.00 C ATOM 1776 C VAL A 111 115.391 16.398 -4.257 1.00 1.00 C ATOM 1777 O VAL A 111 115.851 15.843 -3.261 1.00 1.00 O ATOM 1778 CB VAL A 111 114.204 14.597 -5.508 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.777 14.198 -6.919 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.726 13.372 -4.788 1.00 1.00 C ATOM 0 H VAL A 111 116.867 14.283 -5.268 1.00 1.00 H new ATOM 0 HA VAL A 111 115.080 16.377 -6.364 1.00 1.00 H new ATOM 0 HB VAL A 111 113.350 15.009 -4.970 1.00 1.00 H new ATOM 0 HG11 VAL A 111 112.990 13.446 -6.862 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.403 15.075 -7.448 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.633 13.789 -7.456 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.940 12.618 -4.735 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.581 12.968 -5.330 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.034 13.647 -3.779 1.00 1.00 H new ATOM 1790 N PHE A 112 114.949 17.648 -4.242 1.00 1.00 N ATOM 1791 CA PHE A 112 114.990 18.448 -3.026 1.00 1.00 C ATOM 1792 C PHE A 112 113.640 18.478 -2.354 1.00 1.00 C ATOM 1793 O PHE A 112 112.637 18.815 -2.983 1.00 1.00 O ATOM 1794 CB PHE A 112 115.419 19.877 -3.354 1.00 1.00 C ATOM 1795 CG PHE A 112 116.783 19.823 -3.964 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.893 19.678 -3.138 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.933 19.878 -5.349 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.171 19.595 -3.699 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.208 19.788 -5.915 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.328 19.646 -5.091 1.00 1.00 C ATOM 0 H PHE A 112 114.560 18.128 -5.054 1.00 1.00 H new ATOM 0 HA PHE A 112 115.711 17.992 -2.348 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.712 20.338 -4.043 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.429 20.488 -2.452 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.768 19.630 -2.066 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.066 19.990 -5.983 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.036 19.492 -3.061 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.327 19.828 -6.988 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.314 19.576 -5.527 1.00 1.00 H new ATOM 1810 N ILE A 113 113.620 18.134 -1.069 1.00 1.00 N ATOM 1811 CA ILE A 113 112.387 18.156 -0.313 1.00 1.00 C ATOM 1812 C ILE A 113 112.579 18.849 1.020 1.00 1.00 C ATOM 1813 O ILE A 113 113.690 18.961 1.531 1.00 1.00 O ATOM 1814 CB ILE A 113 111.822 16.746 -0.115 1.00 1.00 C ATOM 1815 CG1 ILE A 113 112.794 15.885 0.694 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.610 16.094 -1.482 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.097 14.585 1.101 1.00 1.00 C ATOM 0 H ILE A 113 114.441 17.840 -0.539 1.00 1.00 H new ATOM 0 HA ILE A 113 111.660 18.725 -0.893 1.00 1.00 H new ATOM 0 HB ILE A 113 110.878 16.821 0.424 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.683 15.665 0.102 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.127 16.426 1.580 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.208 15.090 -1.348 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.909 16.691 -2.065 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.562 16.036 -2.009 1.00 1.00 H new ATOM 0 HD11 ILE A 113 112.786 13.968 1.678 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.222 14.816 1.708 1.00 1.00 H new ATOM 0 HD13 ILE A 113 111.786 14.044 0.207 1.00 1.00 H new ATOM 1829 N ASP A 114 111.465 19.267 1.592 1.00 1.00 N ATOM 1830 CA ASP A 114 111.481 19.896 2.891 1.00 1.00 C ATOM 1831 C ASP A 114 111.263 18.807 3.914 1.00 1.00 C ATOM 1832 O ASP A 114 111.204 17.625 3.576 1.00 1.00 O ATOM 1833 CB ASP A 114 110.390 20.970 3.002 1.00 1.00 C ATOM 1834 CG ASP A 114 110.842 22.266 2.332 1.00 1.00 C ATOM 1835 OD1 ASP A 114 112.032 22.426 2.125 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.988 23.086 2.041 1.00 1.00 O ATOM 0 H ASP A 114 110.539 19.180 1.174 1.00 1.00 H new ATOM 0 HA ASP A 114 112.434 20.399 3.056 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.472 20.613 2.535 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.162 21.157 4.051 1.00 1.00 H new ATOM 1841 N ALA A 115 111.177 19.195 5.163 1.00 1.00 N ATOM 1842 CA ALA A 115 111.003 18.252 6.255 1.00 1.00 C ATOM 1843 C ALA A 115 109.616 17.608 6.242 1.00 1.00 C ATOM 1844 O ALA A 115 109.389 16.605 6.920 1.00 1.00 O ATOM 1845 CB ALA A 115 111.206 19.006 7.565 1.00 1.00 C ATOM 0 H ALA A 115 111.225 20.171 5.457 1.00 1.00 H new ATOM 0 HA ALA A 115 111.731 17.448 6.145 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.081 18.320 8.403 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.210 19.429 7.589 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.472 19.809 7.640 1.00 1.00 H new ATOM 1851 N GLU A 116 108.694 18.165 5.461 1.00 1.00 N ATOM 1852 CA GLU A 116 107.346 17.609 5.361 1.00 1.00 C ATOM 1853 C GLU A 116 107.233 16.755 4.101 1.00 1.00 C ATOM 1854 O GLU A 116 106.183 16.171 3.829 1.00 1.00 O ATOM 1855 CB GLU A 116 106.314 18.735 5.327 1.00 1.00 C ATOM 1856 CG GLU A 116 106.263 19.417 6.695 1.00 1.00 C ATOM 1857 CD GLU A 116 105.352 20.638 6.638 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.805 20.897 5.578 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.216 21.297 7.654 1.00 1.00 O ATOM 0 H GLU A 116 108.853 18.996 4.891 1.00 1.00 H new ATOM 0 HA GLU A 116 107.153 16.985 6.233 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.575 19.460 4.556 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.333 18.336 5.070 1.00 1.00 H new ATOM 0 HG2 GLU A 116 105.898 18.716 7.446 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.266 19.716 6.999 1.00 1.00 H new ATOM 1866 N GLY A 117 108.324 16.661 3.348 1.00 1.00 N ATOM 1867 CA GLY A 117 108.328 15.846 2.140 1.00 1.00 C ATOM 1868 C GLY A 117 107.833 16.610 0.914 1.00 1.00 C ATOM 1869 O GLY A 117 107.525 15.997 -0.106 1.00 1.00 O ATOM 0 H GLY A 117 109.206 17.133 3.549 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.339 15.484 1.954 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.699 14.969 2.296 1.00 1.00 H new ATOM 1873 N LYS A 118 107.773 17.936 0.991 1.00 1.00 N ATOM 1874 CA LYS A 118 107.325 18.717 -0.158 1.00 1.00 C ATOM 1875 C LYS A 118 108.472 18.915 -1.116 1.00 1.00 C ATOM 1876 O LYS A 118 109.571 19.214 -0.693 1.00 1.00 O ATOM 1877 CB LYS A 118 106.798 20.080 0.283 1.00 1.00 C ATOM 1878 CG LYS A 118 105.428 19.906 0.919 1.00 1.00 C ATOM 1879 CD LYS A 118 104.895 21.267 1.370 1.00 1.00 C ATOM 1880 CE LYS A 118 103.534 21.085 2.041 1.00 1.00 C ATOM 1881 NZ LYS A 118 103.000 22.412 2.458 1.00 1.00 N ATOM 0 H LYS A 118 108.022 18.482 1.816 1.00 1.00 H new ATOM 0 HA LYS A 118 106.519 18.171 -0.649 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.487 20.536 0.994 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.732 20.752 -0.573 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.740 19.453 0.206 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.495 19.230 1.771 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.595 21.732 2.064 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.804 21.936 0.514 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.840 20.602 1.353 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.629 20.431 2.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.074 22.286 2.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.659 22.856 3.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.894 23.022 1.622 1.00 1.00 H new ATOM 1895 N GLN A 119 108.211 18.761 -2.406 1.00 1.00 N ATOM 1896 CA GLN A 119 109.234 18.925 -3.422 1.00 1.00 C ATOM 1897 C GLN A 119 109.451 20.398 -3.716 1.00 1.00 C ATOM 1898 O GLN A 119 108.514 21.114 -4.071 1.00 1.00 O ATOM 1899 CB GLN A 119 108.807 18.165 -4.684 1.00 1.00 C ATOM 1900 CG GLN A 119 109.355 18.839 -5.938 1.00 1.00 C ATOM 1901 CD GLN A 119 109.181 17.906 -7.133 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.208 16.686 -6.972 1.00 1.00 O ATOM 1903 NE2 GLN A 119 108.992 18.403 -8.326 1.00 1.00 N ATOM 0 H GLN A 119 107.290 18.521 -2.773 1.00 1.00 H new ATOM 0 HA GLN A 119 110.180 18.517 -3.066 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.166 17.137 -4.633 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.719 18.121 -4.736 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.832 19.778 -6.117 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.409 19.082 -5.803 1.00 1.00 H new ATOM 0 HE21 GLN A 119 108.970 19.414 -8.460 1.00 1.00 H new ATOM 0 HE22 GLN A 119 108.867 17.780 -9.124 1.00 1.00 H new ATOM 1912 N LEU A 120 110.689 20.844 -3.554 1.00 1.00 N ATOM 1913 CA LEU A 120 111.017 22.244 -3.798 1.00 1.00 C ATOM 1914 C LEU A 120 111.659 22.378 -5.164 1.00 1.00 C ATOM 1915 O LEU A 120 111.517 23.405 -5.828 1.00 1.00 O ATOM 1916 CB LEU A 120 111.977 22.808 -2.726 1.00 1.00 C ATOM 1917 CG LEU A 120 112.171 21.803 -1.586 1.00 1.00 C ATOM 1918 CD1 LEU A 120 113.299 22.242 -0.666 1.00 1.00 C ATOM 1919 CD2 LEU A 120 110.898 21.707 -0.759 1.00 1.00 C ATOM 0 H LEU A 120 111.475 20.266 -3.258 1.00 1.00 H new ATOM 0 HA LEU A 120 110.091 22.816 -3.752 1.00 1.00 H new ATOM 0 HB2 LEU A 120 112.940 23.040 -3.180 1.00 1.00 H new ATOM 0 HB3 LEU A 120 111.578 23.742 -2.330 1.00 1.00 H new ATOM 0 HG LEU A 120 112.414 20.837 -2.029 1.00 1.00 H new ATOM 0 HD11 LEU A 120 113.419 21.514 0.136 1.00 1.00 H new ATOM 0 HD12 LEU A 120 114.226 22.311 -1.235 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.062 23.216 -0.239 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.043 20.991 0.050 1.00 1.00 H new ATOM 0 HD22 LEU A 120 110.662 22.685 -0.340 1.00 1.00 H new ATOM 0 HD23 LEU A 120 110.076 21.376 -1.394 1.00 1.00 H new ATOM 1931 N ALA A 121 112.360 21.325 -5.587 1.00 1.00 N ATOM 1932 CA ALA A 121 113.018 21.316 -6.884 1.00 1.00 C ATOM 1933 C ALA A 121 113.710 19.976 -7.122 1.00 1.00 C ATOM 1934 O ALA A 121 113.890 19.189 -6.193 1.00 1.00 O ATOM 1935 CB ALA A 121 114.056 22.431 -6.974 1.00 1.00 C ATOM 0 H ALA A 121 112.484 20.469 -5.046 1.00 1.00 H new ATOM 0 HA ALA A 121 112.253 21.474 -7.644 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.535 22.404 -7.953 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.567 23.395 -6.835 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.809 22.291 -6.198 1.00 1.00 H new ATOM 1941 N ARG A 122 114.098 19.722 -8.361 1.00 1.00 N ATOM 1942 CA ARG A 122 114.780 18.473 -8.689 1.00 1.00 C ATOM 1943 C ARG A 122 115.716 18.681 -9.873 1.00 1.00 C ATOM 1944 O ARG A 122 115.421 19.462 -10.778 1.00 1.00 O ATOM 1945 CB ARG A 122 113.752 17.381 -9.000 1.00 1.00 C ATOM 1946 CG ARG A 122 112.881 17.821 -10.175 1.00 1.00 C ATOM 1947 CD ARG A 122 111.802 16.768 -10.434 1.00 1.00 C ATOM 1948 NE ARG A 122 112.396 15.535 -10.940 1.00 1.00 N ATOM 1949 CZ ARG A 122 112.647 15.367 -12.238 1.00 1.00 C ATOM 1950 NH1 ARG A 122 112.371 16.316 -13.092 1.00 1.00 N ATOM 1951 NH2 ARG A 122 113.163 14.246 -12.657 1.00 1.00 N ATOM 0 H ARG A 122 113.957 20.353 -9.150 1.00 1.00 H new ATOM 0 HA ARG A 122 115.374 18.157 -7.832 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.259 16.447 -9.240 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.131 17.191 -8.124 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.419 18.784 -9.958 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.495 17.955 -11.066 1.00 1.00 H new ATOM 0 HD2 ARG A 122 111.257 16.564 -9.512 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.078 17.151 -11.154 1.00 1.00 H new ATOM 0 HE ARG A 122 112.624 14.786 -10.286 1.00 1.00 H new ATOM 0 HH11 ARG A 122 111.961 17.192 -12.767 1.00 1.00 H new ATOM 0 HH12 ARG A 122 112.565 16.182 -14.084 1.00 1.00 H new ATOM 0 HH21 ARG A 122 113.373 13.501 -11.992 1.00 1.00 H new ATOM 0 HH22 ARG A 122 113.357 14.113 -13.650 1.00 1.00 H new ATOM 1965 N MET A 123 116.840 17.963 -9.872 1.00 1.00 N ATOM 1966 CA MET A 123 117.788 18.075 -10.966 1.00 1.00 C ATOM 1967 C MET A 123 118.453 16.739 -11.274 1.00 1.00 C ATOM 1968 O MET A 123 118.492 15.837 -10.438 1.00 1.00 O ATOM 1969 CB MET A 123 118.889 19.074 -10.625 1.00 1.00 C ATOM 1970 CG MET A 123 118.281 20.429 -10.248 1.00 1.00 C ATOM 1971 SD MET A 123 119.562 21.703 -10.325 1.00 1.00 S ATOM 1972 CE MET A 123 120.317 21.379 -8.715 1.00 1.00 C ATOM 0 H MET A 123 117.108 17.310 -9.136 1.00 1.00 H new ATOM 0 HA MET A 123 117.221 18.410 -11.835 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.490 18.695 -9.798 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.558 19.193 -11.477 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.465 20.676 -10.928 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.857 20.384 -9.245 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.369 21.664 -8.742 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.803 21.959 -7.949 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.235 20.317 -8.482 1.00 1.00 H new ATOM 1982 N GLY A 124 118.984 16.642 -12.481 1.00 1.00 N ATOM 1983 CA GLY A 124 119.668 15.433 -12.918 1.00 1.00 C ATOM 1984 C GLY A 124 121.110 15.759 -13.261 1.00 1.00 C ATOM 1985 O GLY A 124 121.714 16.641 -12.654 1.00 1.00 O ATOM 0 H GLY A 124 118.955 17.386 -13.178 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.632 14.679 -12.132 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.163 15.012 -13.787 1.00 1.00 H new ATOM 1989 N PHE A 125 121.648 15.073 -14.258 1.00 1.00 N ATOM 1990 CA PHE A 125 123.009 15.339 -14.688 1.00 1.00 C ATOM 1991 C PHE A 125 122.992 16.546 -15.613 1.00 1.00 C ATOM 1992 O PHE A 125 122.187 16.609 -16.543 1.00 1.00 O ATOM 1993 CB PHE A 125 123.580 14.119 -15.419 1.00 1.00 C ATOM 1994 CG PHE A 125 124.839 14.505 -16.158 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.065 14.561 -15.480 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.783 14.795 -17.526 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.231 14.910 -16.173 1.00 1.00 C ATOM 1998 CE2 PHE A 125 125.948 15.145 -18.216 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.173 15.200 -17.540 1.00 1.00 C ATOM 0 H PHE A 125 121.169 14.337 -14.778 1.00 1.00 H new ATOM 0 HA PHE A 125 123.640 15.542 -13.823 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.796 13.325 -14.705 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.843 13.726 -16.119 1.00 1.00 H new ATOM 0 HD1 PHE A 125 126.110 14.335 -14.425 1.00 1.00 H new ATOM 0 HD2 PHE A 125 123.839 14.748 -18.049 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.176 14.955 -15.651 1.00 1.00 H new ATOM 0 HE2 PHE A 125 125.903 15.373 -19.271 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.073 15.466 -18.074 1.00 1.00 H new ATOM 2009 N GLU A 126 123.864 17.509 -15.357 1.00 1.00 N ATOM 2010 CA GLU A 126 123.915 18.708 -16.176 1.00 1.00 C ATOM 2011 C GLU A 126 125.360 19.196 -16.311 1.00 1.00 C ATOM 2012 O GLU A 126 125.960 19.595 -15.311 1.00 1.00 O ATOM 2013 CB GLU A 126 123.079 19.808 -15.519 1.00 1.00 C ATOM 2014 CG GLU A 126 122.705 20.863 -16.563 1.00 1.00 C ATOM 2015 CD GLU A 126 121.492 20.403 -17.362 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.278 19.207 -17.442 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.796 21.256 -17.885 1.00 1.00 O ATOM 0 H GLU A 126 124.541 17.484 -14.594 1.00 1.00 H new ATOM 0 HA GLU A 126 123.519 18.476 -17.165 1.00 1.00 H new ATOM 0 HB2 GLU A 126 122.177 19.380 -15.081 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.641 20.269 -14.707 1.00 1.00 H new ATOM 0 HG2 GLU A 126 122.488 21.811 -16.071 1.00 1.00 H new ATOM 0 HG3 GLU A 126 123.547 21.037 -17.233 1.00 1.00 H new ATOM 2024 N PRO A 127 125.939 19.198 -17.491 1.00 1.00 N ATOM 2025 CA PRO A 127 127.330 19.682 -17.650 1.00 1.00 C ATOM 2026 C PRO A 127 127.487 21.089 -17.086 1.00 1.00 C ATOM 2027 O PRO A 127 126.506 21.813 -16.908 1.00 1.00 O ATOM 2028 CB PRO A 127 127.589 19.677 -19.155 1.00 1.00 C ATOM 2029 CG PRO A 127 126.511 18.844 -19.775 1.00 1.00 C ATOM 2030 CD PRO A 127 125.361 18.747 -18.769 1.00 1.00 C ATOM 0 HA PRO A 127 128.037 19.052 -17.111 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.572 20.691 -19.554 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.573 19.264 -19.377 1.00 1.00 H new ATOM 0 HG2 PRO A 127 126.168 19.294 -20.706 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.888 17.852 -20.021 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.521 19.375 -19.067 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.985 17.726 -18.695 1.00 1.00 H new ATOM 2038 N GLY A 128 128.725 21.454 -16.795 1.00 1.00 N ATOM 2039 CA GLY A 128 129.006 22.770 -16.234 1.00 1.00 C ATOM 2040 C GLY A 128 129.867 22.654 -14.999 1.00 1.00 C ATOM 2041 O GLY A 128 130.563 23.607 -14.651 1.00 1.00 O ATOM 0 H GLY A 128 129.546 20.865 -16.935 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.510 23.387 -16.978 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.071 23.271 -15.985 1.00 1.00 H new ATOM 2045 N GLY A 129 129.868 21.505 -14.337 1.00 1.00 N ATOM 2046 CA GLY A 129 130.704 21.340 -13.169 1.00 1.00 C ATOM 2047 C GLY A 129 129.971 21.656 -11.868 1.00 1.00 C ATOM 2048 O GLY A 129 128.783 21.974 -11.860 1.00 1.00 O ATOM 0 H GLY A 129 129.308 20.690 -14.587 1.00 1.00 H new ATOM 0 HA2 GLY A 129 131.072 20.315 -13.133 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.575 21.989 -13.257 1.00 1.00 H new ATOM 2052 N GLY A 130 130.692 21.491 -10.768 1.00 1.00 N ATOM 2053 CA GLY A 130 130.113 21.676 -9.440 1.00 1.00 C ATOM 2054 C GLY A 130 129.670 23.101 -9.137 1.00 1.00 C ATOM 2055 O GLY A 130 128.592 23.298 -8.587 1.00 1.00 O ATOM 0 H GLY A 130 131.678 21.230 -10.766 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.255 21.012 -9.336 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.845 21.370 -8.693 1.00 1.00 H new ATOM 2059 N ALA A 131 130.486 24.081 -9.486 1.00 1.00 N ATOM 2060 CA ALA A 131 130.152 25.475 -9.220 1.00 1.00 C ATOM 2061 C ALA A 131 128.843 25.841 -9.889 1.00 1.00 C ATOM 2062 O ALA A 131 127.963 26.445 -9.275 1.00 1.00 O ATOM 2063 CB ALA A 131 131.256 26.372 -9.779 1.00 1.00 C ATOM 0 H ALA A 131 131.382 23.941 -9.953 1.00 1.00 H new ATOM 0 HA ALA A 131 130.057 25.614 -8.143 1.00 1.00 H new ATOM 0 HB1 ALA A 131 131.011 27.416 -9.583 1.00 1.00 H new ATOM 0 HB2 ALA A 131 132.203 26.125 -9.299 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.342 26.216 -10.854 1.00 1.00 H new ATOM 2069 N ALA A 132 128.729 25.505 -11.152 1.00 1.00 N ATOM 2070 CA ALA A 132 127.536 25.831 -11.900 1.00 1.00 C ATOM 2071 C ALA A 132 126.306 25.117 -11.330 1.00 1.00 C ATOM 2072 O ALA A 132 125.206 25.674 -11.304 1.00 1.00 O ATOM 2073 CB ALA A 132 127.740 25.443 -13.362 1.00 1.00 C ATOM 0 H ALA A 132 129.444 25.008 -11.683 1.00 1.00 H new ATOM 0 HA ALA A 132 127.359 26.904 -11.822 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.843 25.687 -13.932 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.589 25.992 -13.769 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.934 24.373 -13.431 1.00 1.00 H new ATOM 2079 N TYR A 133 126.495 23.880 -10.881 1.00 1.00 N ATOM 2080 CA TYR A 133 125.403 23.087 -10.327 1.00 1.00 C ATOM 2081 C TYR A 133 124.822 23.746 -9.077 1.00 1.00 C ATOM 2082 O TYR A 133 123.606 23.767 -8.890 1.00 1.00 O ATOM 2083 CB TYR A 133 125.916 21.684 -9.982 1.00 1.00 C ATOM 2084 CG TYR A 133 124.762 20.792 -9.578 1.00 1.00 C ATOM 2085 CD1 TYR A 133 124.044 20.091 -10.557 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.413 20.658 -8.229 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.979 19.260 -10.184 1.00 1.00 C ATOM 2088 CE2 TYR A 133 123.347 19.828 -7.860 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.631 19.130 -8.836 1.00 1.00 C ATOM 2090 OH TYR A 133 121.578 18.316 -8.464 1.00 1.00 O ATOM 0 H TYR A 133 127.397 23.404 -10.890 1.00 1.00 H new ATOM 0 HA TYR A 133 124.612 23.020 -11.074 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.433 21.256 -10.841 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.641 21.743 -9.171 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.312 20.191 -11.599 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.966 21.195 -7.472 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.427 18.720 -10.938 1.00 1.00 H new ATOM 0 HE2 TYR A 133 123.078 19.727 -6.819 1.00 1.00 H new ATOM 0 HH TYR A 133 121.339 17.729 -9.211 1.00 1.00 H new ATOM 2100 N VAL A 134 125.690 24.263 -8.214 1.00 1.00 N ATOM 2101 CA VAL A 134 125.224 24.885 -6.988 1.00 1.00 C ATOM 2102 C VAL A 134 124.408 26.139 -7.281 1.00 1.00 C ATOM 2103 O VAL A 134 123.439 26.428 -6.600 1.00 1.00 O ATOM 2104 CB VAL A 134 126.380 25.219 -6.037 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.557 24.273 -6.241 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.840 26.666 -6.222 1.00 1.00 C ATOM 0 H VAL A 134 126.702 24.263 -8.340 1.00 1.00 H new ATOM 0 HA VAL A 134 124.582 24.157 -6.492 1.00 1.00 H new ATOM 0 HB VAL A 134 126.009 25.094 -5.020 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.359 24.537 -5.552 1.00 1.00 H new ATOM 0 HG12 VAL A 134 127.237 23.248 -6.051 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.917 24.356 -7.266 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.660 26.878 -5.536 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.178 26.812 -7.248 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.010 27.341 -6.014 1.00 1.00 H new ATOM 2116 N SER A 135 124.792 26.913 -8.273 1.00 1.00 N ATOM 2117 CA SER A 135 124.032 28.116 -8.564 1.00 1.00 C ATOM 2118 C SER A 135 122.589 27.735 -8.900 1.00 1.00 C ATOM 2119 O SER A 135 121.638 28.401 -8.490 1.00 1.00 O ATOM 2120 CB SER A 135 124.658 28.871 -9.740 1.00 1.00 C ATOM 2121 OG SER A 135 123.782 29.912 -10.152 1.00 1.00 O ATOM 0 H SER A 135 125.597 26.743 -8.875 1.00 1.00 H new ATOM 0 HA SER A 135 124.044 28.766 -7.689 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.622 29.286 -9.448 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.843 28.187 -10.568 1.00 1.00 H new ATOM 0 HG SER A 135 124.182 30.397 -10.904 1.00 1.00 H new ATOM 2127 N LYS A 136 122.452 26.661 -9.675 1.00 1.00 N ATOM 2128 CA LYS A 136 121.137 26.186 -10.105 1.00 1.00 C ATOM 2129 C LYS A 136 120.268 25.718 -8.932 1.00 1.00 C ATOM 2130 O LYS A 136 119.075 26.020 -8.883 1.00 1.00 O ATOM 2131 CB LYS A 136 121.304 25.028 -11.100 1.00 1.00 C ATOM 2132 CG LYS A 136 121.973 25.519 -12.396 1.00 1.00 C ATOM 2133 CD LYS A 136 120.922 26.129 -13.338 1.00 1.00 C ATOM 2134 CE LYS A 136 121.596 26.597 -14.628 1.00 1.00 C ATOM 2135 NZ LYS A 136 120.559 27.126 -15.559 1.00 1.00 N ATOM 0 H LYS A 136 123.234 26.103 -10.018 1.00 1.00 H new ATOM 0 HA LYS A 136 120.631 27.029 -10.577 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.906 24.239 -10.650 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.330 24.595 -11.329 1.00 1.00 H new ATOM 0 HG2 LYS A 136 122.736 26.261 -12.161 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.477 24.689 -12.891 1.00 1.00 H new ATOM 0 HD2 LYS A 136 120.152 25.392 -13.565 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.426 26.968 -12.850 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.332 27.370 -14.408 1.00 1.00 H new ATOM 0 HE3 LYS A 136 122.132 25.770 -15.093 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 121.013 27.446 -16.438 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 119.873 26.376 -15.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 120.067 27.926 -15.112 1.00 1.00 H new ATOM 2149 N VAL A 137 120.860 24.978 -7.993 1.00 1.00 N ATOM 2150 CA VAL A 137 120.095 24.485 -6.848 1.00 1.00 C ATOM 2151 C VAL A 137 119.630 25.647 -5.986 1.00 1.00 C ATOM 2152 O VAL A 137 118.512 25.650 -5.482 1.00 1.00 O ATOM 2153 CB VAL A 137 120.922 23.479 -6.030 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.887 24.204 -5.129 1.00 1.00 C ATOM 2155 CG2 VAL A 137 120.009 22.626 -5.151 1.00 1.00 C ATOM 0 H VAL A 137 121.845 24.712 -8.001 1.00 1.00 H new ATOM 0 HA VAL A 137 119.213 23.962 -7.218 1.00 1.00 H new ATOM 0 HB VAL A 137 121.464 22.847 -6.733 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.465 23.479 -4.556 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.562 24.811 -5.732 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.333 24.847 -4.445 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.611 21.920 -4.579 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.457 23.270 -4.466 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.307 22.079 -5.779 1.00 1.00 H new ATOM 2165 N LYS A 138 120.499 26.632 -5.809 1.00 1.00 N ATOM 2166 CA LYS A 138 120.150 27.780 -4.987 1.00 1.00 C ATOM 2167 C LYS A 138 118.924 28.483 -5.554 1.00 1.00 C ATOM 2168 O LYS A 138 118.018 28.864 -4.810 1.00 1.00 O ATOM 2169 CB LYS A 138 121.319 28.760 -4.907 1.00 1.00 C ATOM 2170 CG LYS A 138 122.446 28.145 -4.078 1.00 1.00 C ATOM 2171 CD LYS A 138 123.644 29.093 -4.078 1.00 1.00 C ATOM 2172 CE LYS A 138 124.771 28.492 -3.240 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.945 29.409 -3.265 1.00 1.00 N ATOM 0 H LYS A 138 121.434 26.660 -6.215 1.00 1.00 H new ATOM 0 HA LYS A 138 119.923 27.424 -3.982 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.678 28.997 -5.909 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.991 29.697 -4.456 1.00 1.00 H new ATOM 0 HG2 LYS A 138 122.108 27.967 -3.057 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.732 27.178 -4.492 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.987 29.263 -5.099 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.354 30.063 -3.674 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.436 28.340 -2.214 1.00 1.00 H new ATOM 0 HE3 LYS A 138 125.050 27.514 -3.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.715 29.003 -2.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.268 29.533 -4.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.673 30.332 -2.871 1.00 1.00 H new ATOM 2187 N SER A 139 118.887 28.653 -6.870 1.00 1.00 N ATOM 2188 CA SER A 139 117.756 29.307 -7.503 1.00 1.00 C ATOM 2189 C SER A 139 116.519 28.444 -7.365 1.00 1.00 C ATOM 2190 O SER A 139 115.413 28.943 -7.163 1.00 1.00 O ATOM 2191 CB SER A 139 118.050 29.545 -8.984 1.00 1.00 C ATOM 2192 OG SER A 139 118.311 28.297 -9.619 1.00 1.00 O ATOM 0 H SER A 139 119.620 28.350 -7.511 1.00 1.00 H new ATOM 0 HA SER A 139 117.585 30.266 -7.013 1.00 1.00 H new ATOM 0 HB2 SER A 139 117.202 30.038 -9.460 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.908 30.208 -9.094 1.00 1.00 H new ATOM 0 HG SER A 139 118.692 27.672 -8.967 1.00 1.00 H new ATOM 2198 N ALA A 140 116.715 27.139 -7.489 1.00 1.00 N ATOM 2199 CA ALA A 140 115.617 26.198 -7.403 1.00 1.00 C ATOM 2200 C ALA A 140 115.038 26.138 -5.992 1.00 1.00 C ATOM 2201 O ALA A 140 113.823 26.038 -5.820 1.00 1.00 O ATOM 2202 CB ALA A 140 116.117 24.819 -7.831 1.00 1.00 C ATOM 0 H ALA A 140 117.627 26.711 -7.650 1.00 1.00 H new ATOM 0 HA ALA A 140 114.817 26.529 -8.066 1.00 1.00 H new ATOM 0 HB1 ALA A 140 115.299 24.101 -7.771 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.483 24.867 -8.857 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.926 24.504 -7.171 1.00 1.00 H new ATOM 2208 N LEU A 141 115.901 26.170 -4.987 1.00 1.00 N ATOM 2209 CA LEU A 141 115.439 26.084 -3.604 1.00 1.00 C ATOM 2210 C LEU A 141 115.097 27.458 -3.015 1.00 1.00 C ATOM 2211 O LEU A 141 114.638 27.544 -1.873 1.00 1.00 O ATOM 2212 CB LEU A 141 116.507 25.404 -2.736 1.00 1.00 C ATOM 2213 CG LEU A 141 116.318 23.880 -2.764 1.00 1.00 C ATOM 2214 CD1 LEU A 141 116.463 23.354 -4.189 1.00 1.00 C ATOM 2215 CD2 LEU A 141 117.369 23.212 -1.870 1.00 1.00 C ATOM 0 H LEU A 141 116.912 26.254 -5.097 1.00 1.00 H new ATOM 0 HA LEU A 141 114.525 25.491 -3.607 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.501 25.662 -3.101 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.439 25.768 -1.711 1.00 1.00 H new ATOM 0 HG LEU A 141 115.319 23.646 -2.396 1.00 1.00 H new ATOM 0 HD11 LEU A 141 116.327 22.273 -4.193 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.710 23.817 -4.826 1.00 1.00 H new ATOM 0 HD13 LEU A 141 117.456 23.596 -4.567 1.00 1.00 H new ATOM 0 HD21 LEU A 141 117.232 22.131 -1.892 1.00 1.00 H new ATOM 0 HD22 LEU A 141 118.366 23.459 -2.234 1.00 1.00 H new ATOM 0 HD23 LEU A 141 117.257 23.571 -0.847 1.00 1.00 H new ATOM 2227 N LYS A 142 115.306 28.532 -3.786 1.00 1.00 N ATOM 2228 CA LYS A 142 115.001 29.888 -3.323 1.00 1.00 C ATOM 2229 C LYS A 142 115.834 30.252 -2.097 1.00 1.00 C ATOM 2230 O LYS A 142 115.322 30.796 -1.116 1.00 1.00 O ATOM 2231 CB LYS A 142 113.511 30.018 -3.000 1.00 1.00 C ATOM 2232 CG LYS A 142 112.681 29.450 -4.159 1.00 1.00 C ATOM 2233 CD LYS A 142 111.856 28.256 -3.675 1.00 1.00 C ATOM 2234 CE LYS A 142 111.088 27.678 -4.865 1.00 1.00 C ATOM 2235 NZ LYS A 142 110.203 26.570 -4.413 1.00 1.00 N ATOM 0 H LYS A 142 115.685 28.487 -4.732 1.00 1.00 H new ATOM 0 HA LYS A 142 115.254 30.580 -4.126 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.280 29.484 -2.078 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.254 31.064 -2.834 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.021 30.221 -4.557 1.00 1.00 H new ATOM 0 HG3 LYS A 142 113.339 29.143 -4.972 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.507 27.497 -3.241 1.00 1.00 H new ATOM 0 HD3 LYS A 142 111.163 28.567 -2.893 1.00 1.00 H new ATOM 0 HE2 LYS A 142 110.493 28.459 -5.338 1.00 1.00 H new ATOM 0 HE3 LYS A 142 111.788 27.312 -5.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 109.686 26.184 -5.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 110.779 25.819 -3.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 109.525 26.931 -3.712 1.00 1.00 H new ATOM 2249 N LEU A 143 117.129 29.979 -2.185 1.00 1.00 N ATOM 2250 CA LEU A 143 118.062 30.306 -1.111 1.00 1.00 C ATOM 2251 C LEU A 143 118.726 31.648 -1.425 1.00 1.00 C ATOM 2252 O LEU A 143 119.331 31.815 -2.485 1.00 1.00 O ATOM 2253 CB LEU A 143 119.149 29.230 -1.014 1.00 1.00 C ATOM 2254 CG LEU A 143 118.752 28.051 -0.094 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.236 27.807 -0.050 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.433 26.789 -0.618 1.00 1.00 C ATOM 0 H LEU A 143 117.560 29.530 -2.993 1.00 1.00 H new ATOM 0 HA LEU A 143 117.520 30.359 -0.167 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.365 28.848 -2.012 1.00 1.00 H new ATOM 0 HB3 LEU A 143 120.068 29.682 -0.640 1.00 1.00 H new ATOM 0 HG LEU A 143 119.069 28.300 0.919 1.00 1.00 H new ATOM 0 HD11 LEU A 143 117.022 26.968 0.612 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.734 28.700 0.322 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.875 27.580 -1.053 1.00 1.00 H new ATOM 0 HD21 LEU A 143 119.168 25.943 0.016 1.00 1.00 H new ATOM 0 HD22 LEU A 143 119.104 26.595 -1.639 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.514 26.927 -0.605 1.00 1.00 H new