USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=22 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 123 MET CE :methyl 151:sc= -3.88 (180deg=-4.61!) USER MOD Set 1.2: A 133 TYR OH : rot -130:sc= -0.878 USER MOD Set 2.1: A 33 SER OG : rot -97:sc= 1.24 USER MOD Set 2.2: A 75 HIS : no HD1:sc= -1.74 K(o=-0.5,f=-1.8) USER MOD Set 3.1: A 26 TYR OH : rot -6:sc= 0.00113 USER MOD Set 3.2: A 102 TYR OH : rot -108:sc= -1.93 USER MOD Single : A 22 GLN : amide:sc=-0.00012 K(o=-0.00012,f=-0.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.483 K(o=0.48,f=-6.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-3.5!) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= -1.77! (180deg=-3.3!) USER MOD Single : A 45 THR OG1 : rot -134:sc= 0.127 USER MOD Single : A 47 SER OG : rot -164:sc= 0.0327 USER MOD Single : A 51 MET CE :methyl -111:sc= -0.0106 (180deg=-0.208) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -135:sc= -1.39 (180deg=-1.61) USER MOD Single : A 57 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1) USER MOD Single : A 59 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 SER OG : rot 121:sc= 0.812 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= 0.532 (180deg=-0.469) USER MOD Single : A 68 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.89) USER MOD Single : A 73 HIS : no HD1:sc= -0.595 X(o=-0.6,f=-0.71) USER MOD Single : A 76 MET CE :methyl -165:sc= 0 (180deg=-0.148) USER MOD Single : A 83 GLN : amide:sc= 0.63 K(o=0.63,f=-0.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-1.9) USER MOD Single : A 87 GLN : amide:sc= -2.87! C(o=-2.9!,f=-8.2!) USER MOD Single : A 91 GLN : amide:sc= -0.0489 K(o=-0.049,f=-1.8!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -0.852 (180deg=-2.07!) USER MOD Single : A 95 ASN : amide:sc= -0.335 K(o=-0.34,f=-2.1!) USER MOD Single : A 96 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc=-0.00919 K(o=-0.0092,f=-1.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 131:sc= -0.0425 (180deg=-0.492) USER MOD Single : A 138 LYS NZ :NH3+ -123:sc= 0.999 (180deg=-0.607) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.760 14.875 1.674 1.00 1.00 N ATOM 309 CA LEU A 21 130.322 14.944 1.914 1.00 1.00 C ATOM 310 C LEU A 21 129.912 13.965 3.011 1.00 1.00 C ATOM 311 O LEU A 21 130.389 12.831 3.068 1.00 1.00 O ATOM 312 CB LEU A 21 129.592 14.591 0.621 1.00 1.00 C ATOM 313 CG LEU A 21 128.079 14.823 0.773 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.771 16.327 0.904 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.352 14.272 -0.458 1.00 1.00 C ATOM 0 HA LEU A 21 130.061 15.952 2.235 1.00 1.00 H new ATOM 0 HB2 LEU A 21 129.978 15.198 -0.198 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.782 13.549 0.363 1.00 1.00 H new ATOM 0 HG LEU A 21 127.739 14.310 1.673 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.696 16.470 1.011 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.279 16.727 1.781 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.120 16.849 0.013 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.280 14.436 -0.351 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.710 14.784 -1.351 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.548 13.204 -0.549 1.00 1.00 H new ATOM 327 N GLN A 22 129.004 14.422 3.864 1.00 1.00 N ATOM 328 CA GLN A 22 128.501 13.597 4.956 1.00 1.00 C ATOM 329 C GLN A 22 127.124 13.056 4.593 1.00 1.00 C ATOM 330 O GLN A 22 126.144 13.799 4.585 1.00 1.00 O ATOM 331 CB GLN A 22 128.392 14.434 6.226 1.00 1.00 C ATOM 332 CG GLN A 22 129.755 15.037 6.537 1.00 1.00 C ATOM 333 CD GLN A 22 129.651 15.974 7.737 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.678 16.718 7.861 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.598 15.980 8.635 1.00 1.00 N ATOM 0 H GLN A 22 128.601 15.358 3.821 1.00 1.00 H new ATOM 0 HA GLN A 22 129.189 12.768 5.124 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.652 15.223 6.095 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.055 13.815 7.058 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.473 14.244 6.746 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.126 15.583 5.670 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.404 15.363 8.531 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.533 16.602 9.441 1.00 1.00 H new ATOM 344 N TRP A 23 127.049 11.761 4.309 1.00 1.00 N ATOM 345 CA TRP A 23 125.767 11.154 3.968 1.00 1.00 C ATOM 346 C TRP A 23 124.980 10.855 5.246 1.00 1.00 C ATOM 347 O TRP A 23 125.529 10.390 6.245 1.00 1.00 O ATOM 348 CB TRP A 23 125.992 9.867 3.169 1.00 1.00 C ATOM 349 CG TRP A 23 126.955 10.121 2.045 1.00 1.00 C ATOM 350 CD1 TRP A 23 127.054 11.276 1.334 1.00 1.00 C ATOM 351 CD2 TRP A 23 127.959 9.219 1.489 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.048 11.130 0.383 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.633 9.887 0.440 1.00 1.00 C ATOM 354 CE3 TRP A 23 128.349 7.898 1.787 1.00 1.00 C ATOM 355 CZ2 TRP A 23 129.650 9.277 -0.284 1.00 1.00 C ATOM 356 CZ3 TRP A 23 129.379 7.280 1.058 1.00 1.00 C ATOM 357 CH2 TRP A 23 130.028 7.969 0.024 1.00 1.00 C ATOM 0 H TRP A 23 127.843 11.121 4.307 1.00 1.00 H new ATOM 0 HA TRP A 23 125.194 11.849 3.355 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.381 9.087 3.823 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.044 9.506 2.771 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.455 12.162 1.487 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.315 11.857 -0.281 1.00 1.00 H new ATOM 0 HE3 TRP A 23 127.853 7.358 2.580 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.145 9.812 -1.081 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 129.672 6.268 1.296 1.00 1.00 H new ATOM 0 HH2 TRP A 23 130.819 7.489 -0.533 1.00 1.00 H new ATOM 368 N GLU A 24 123.676 11.115 5.180 1.00 1.00 N ATOM 369 CA GLU A 24 122.777 10.870 6.307 1.00 1.00 C ATOM 370 C GLU A 24 121.690 9.896 5.869 1.00 1.00 C ATOM 371 O GLU A 24 121.493 9.675 4.675 1.00 1.00 O ATOM 372 CB GLU A 24 122.135 12.185 6.763 1.00 1.00 C ATOM 373 CG GLU A 24 123.209 13.100 7.356 1.00 1.00 C ATOM 374 CD GLU A 24 122.607 14.447 7.746 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.416 14.623 7.545 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.347 15.284 8.239 1.00 1.00 O ATOM 0 H GLU A 24 123.216 11.497 4.354 1.00 1.00 H new ATOM 0 HA GLU A 24 123.342 10.448 7.138 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.649 12.676 5.920 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.362 11.986 7.505 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.655 12.627 8.231 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.009 13.249 6.631 1.00 1.00 H new ATOM 383 N SER A 25 120.979 9.315 6.835 1.00 1.00 N ATOM 384 CA SER A 25 119.922 8.383 6.515 1.00 1.00 C ATOM 385 C SER A 25 118.651 9.151 6.207 1.00 1.00 C ATOM 386 O SER A 25 118.483 10.290 6.638 1.00 1.00 O ATOM 387 CB SER A 25 119.695 7.413 7.677 1.00 1.00 C ATOM 388 OG SER A 25 120.685 6.394 7.641 1.00 1.00 O ATOM 0 H SER A 25 121.120 9.477 7.832 1.00 1.00 H new ATOM 0 HA SER A 25 120.209 7.800 5.640 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.742 7.947 8.626 1.00 1.00 H new ATOM 0 HB3 SER A 25 118.701 6.972 7.608 1.00 1.00 H new ATOM 0 HG SER A 25 120.542 5.773 8.385 1.00 1.00 H new ATOM 394 N TYR A 26 117.764 8.524 5.466 1.00 1.00 N ATOM 395 CA TYR A 26 116.517 9.153 5.102 1.00 1.00 C ATOM 396 C TYR A 26 115.759 9.558 6.349 1.00 1.00 C ATOM 397 O TYR A 26 115.237 10.667 6.447 1.00 1.00 O ATOM 398 CB TYR A 26 115.683 8.157 4.305 1.00 1.00 C ATOM 399 CG TYR A 26 114.306 8.709 4.048 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.056 9.454 2.895 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.274 8.456 4.960 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.773 9.953 2.651 1.00 1.00 C ATOM 403 CE2 TYR A 26 111.988 8.952 4.714 1.00 1.00 C ATOM 404 CZ TYR A 26 111.738 9.701 3.559 1.00 1.00 C ATOM 405 OH TYR A 26 110.473 10.196 3.318 1.00 1.00 O ATOM 0 H TYR A 26 117.885 7.578 5.104 1.00 1.00 H new ATOM 0 HA TYR A 26 116.716 10.042 4.504 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.176 7.937 3.358 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.608 7.217 4.851 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.853 9.645 2.192 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.470 7.879 5.852 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.580 10.534 1.761 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.190 8.757 5.415 1.00 1.00 H new ATOM 0 HH TYR A 26 110.494 10.776 2.529 1.00 1.00 H new ATOM 415 N ALA A 27 115.722 8.638 7.301 1.00 1.00 N ATOM 416 CA ALA A 27 115.030 8.882 8.549 1.00 1.00 C ATOM 417 C ALA A 27 115.748 9.942 9.359 1.00 1.00 C ATOM 418 O ALA A 27 115.118 10.776 10.010 1.00 1.00 O ATOM 419 CB ALA A 27 114.909 7.583 9.347 1.00 1.00 C ATOM 0 H ALA A 27 116.162 7.721 7.230 1.00 1.00 H new ATOM 0 HA ALA A 27 114.028 9.247 8.326 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.387 7.779 10.284 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.350 6.850 8.766 1.00 1.00 H new ATOM 0 HB3 ALA A 27 115.904 7.193 9.561 1.00 1.00 H new ATOM 425 N GLU A 28 117.060 9.906 9.326 1.00 1.00 N ATOM 426 CA GLU A 28 117.848 10.862 10.070 1.00 1.00 C ATOM 427 C GLU A 28 117.727 12.250 9.469 1.00 1.00 C ATOM 428 O GLU A 28 117.688 13.248 10.191 1.00 1.00 O ATOM 429 CB GLU A 28 119.301 10.418 10.068 1.00 1.00 C ATOM 430 CG GLU A 28 119.448 9.152 10.919 1.00 1.00 C ATOM 431 CD GLU A 28 119.228 9.483 12.392 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.379 10.640 12.747 1.00 1.00 O ATOM 433 OE2 GLU A 28 118.910 8.575 13.143 1.00 1.00 O ATOM 0 H GLU A 28 117.604 9.227 8.793 1.00 1.00 H new ATOM 0 HA GLU A 28 117.476 10.906 11.094 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.632 10.224 9.048 1.00 1.00 H new ATOM 0 HB3 GLU A 28 119.936 11.211 10.464 1.00 1.00 H new ATOM 0 HG2 GLU A 28 118.727 8.401 10.595 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.440 8.723 10.779 1.00 1.00 H new ATOM 440 N ALA A 29 117.681 12.310 8.147 1.00 1.00 N ATOM 441 CA ALA A 29 117.576 13.575 7.445 1.00 1.00 C ATOM 442 C ALA A 29 116.321 14.335 7.821 1.00 1.00 C ATOM 443 O ALA A 29 116.359 15.541 8.064 1.00 1.00 O ATOM 444 CB ALA A 29 117.503 13.294 5.954 1.00 1.00 C ATOM 0 H ALA A 29 117.715 11.492 7.538 1.00 1.00 H new ATOM 0 HA ALA A 29 118.445 14.175 7.714 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.424 14.235 5.410 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.404 12.767 5.638 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.629 12.678 5.742 1.00 1.00 H new ATOM 450 N LEU A 30 115.205 13.631 7.838 1.00 1.00 N ATOM 451 CA LEU A 30 113.943 14.257 8.149 1.00 1.00 C ATOM 452 C LEU A 30 113.946 14.751 9.575 1.00 1.00 C ATOM 453 O LEU A 30 113.472 15.838 9.865 1.00 1.00 O ATOM 454 CB LEU A 30 112.809 13.268 7.935 1.00 1.00 C ATOM 455 CG LEU A 30 112.728 12.928 6.449 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.149 11.532 6.283 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.807 13.923 5.739 1.00 1.00 C ATOM 0 H LEU A 30 115.151 12.632 7.641 1.00 1.00 H new ATOM 0 HA LEU A 30 113.796 15.110 7.486 1.00 1.00 H new ATOM 0 HB2 LEU A 30 112.980 12.365 8.520 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.866 13.695 8.277 1.00 1.00 H new ATOM 0 HG LEU A 30 113.728 12.977 6.018 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.090 11.286 5.223 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.791 10.810 6.788 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.151 11.498 6.720 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.753 13.676 4.679 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.810 13.871 6.175 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.202 14.932 5.857 1.00 1.00 H new ATOM 469 N GLU A 31 114.512 13.955 10.463 1.00 1.00 N ATOM 470 CA GLU A 31 114.584 14.313 11.848 1.00 1.00 C ATOM 471 C GLU A 31 115.274 15.634 12.014 1.00 1.00 C ATOM 472 O GLU A 31 114.813 16.505 12.743 1.00 1.00 O ATOM 473 CB GLU A 31 115.375 13.255 12.609 1.00 1.00 C ATOM 474 CG GLU A 31 114.412 12.432 13.435 1.00 1.00 C ATOM 475 CD GLU A 31 115.145 11.273 14.098 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.335 11.138 13.861 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.507 10.532 14.828 1.00 1.00 O ATOM 0 H GLU A 31 114.929 13.052 10.237 1.00 1.00 H new ATOM 0 HA GLU A 31 113.569 14.382 12.238 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.918 12.616 11.913 1.00 1.00 H new ATOM 0 HB3 GLU A 31 116.117 13.728 13.253 1.00 1.00 H new ATOM 0 HG2 GLU A 31 113.945 13.059 14.195 1.00 1.00 H new ATOM 0 HG3 GLU A 31 113.612 12.051 12.801 1.00 1.00 H new ATOM 484 N HIS A 32 116.387 15.768 11.329 1.00 1.00 N ATOM 485 CA HIS A 32 117.127 16.994 11.424 1.00 1.00 C ATOM 486 C HIS A 32 116.357 18.145 10.783 1.00 1.00 C ATOM 487 O HIS A 32 116.306 19.243 11.327 1.00 1.00 O ATOM 488 CB HIS A 32 118.491 16.862 10.750 1.00 1.00 C ATOM 489 CG HIS A 32 119.357 15.923 11.540 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.449 14.575 11.239 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.186 16.127 12.614 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.309 14.023 12.113 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.787 14.926 12.974 1.00 1.00 N ATOM 0 H HIS A 32 116.788 15.059 10.715 1.00 1.00 H new ATOM 0 HA HIS A 32 117.272 17.207 12.483 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.370 16.491 9.732 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.968 17.839 10.679 1.00 1.00 H new ATOM 0 HD1 HIS A 32 118.955 14.089 10.491 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.347 17.075 13.105 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.580 12.978 12.118 1.00 1.00 H new ATOM 501 N SER A 33 115.777 17.889 9.611 1.00 1.00 N ATOM 502 CA SER A 33 115.035 18.909 8.887 1.00 1.00 C ATOM 503 C SER A 33 113.844 19.399 9.675 1.00 1.00 C ATOM 504 O SER A 33 113.525 20.584 9.656 1.00 1.00 O ATOM 505 CB SER A 33 114.576 18.355 7.550 1.00 1.00 C ATOM 506 OG SER A 33 115.731 18.073 6.789 1.00 1.00 O ATOM 0 H SER A 33 115.809 16.982 9.146 1.00 1.00 H new ATOM 0 HA SER A 33 115.700 19.758 8.728 1.00 1.00 H new ATOM 0 HB2 SER A 33 113.981 17.453 7.693 1.00 1.00 H new ATOM 0 HB3 SER A 33 113.943 19.076 7.033 1.00 1.00 H new ATOM 0 HG SER A 33 115.910 18.818 6.178 1.00 1.00 H new ATOM 512 N LYS A 34 113.202 18.500 10.397 1.00 1.00 N ATOM 513 CA LYS A 34 112.076 18.898 11.200 1.00 1.00 C ATOM 514 C LYS A 34 112.542 19.959 12.178 1.00 1.00 C ATOM 515 O LYS A 34 111.774 20.827 12.589 1.00 1.00 O ATOM 516 CB LYS A 34 111.512 17.702 11.960 1.00 1.00 C ATOM 517 CG LYS A 34 110.840 16.731 10.975 1.00 1.00 C ATOM 518 CD LYS A 34 110.590 15.377 11.656 1.00 1.00 C ATOM 519 CE LYS A 34 110.603 14.258 10.611 1.00 1.00 C ATOM 520 NZ LYS A 34 109.788 13.108 11.106 1.00 1.00 N ATOM 0 H LYS A 34 113.439 17.509 10.441 1.00 1.00 H new ATOM 0 HA LYS A 34 111.288 19.293 10.559 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.310 17.193 12.500 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.789 18.039 12.703 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.897 17.151 10.625 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.473 16.594 10.098 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.356 15.192 12.409 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.631 15.392 12.174 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.201 14.623 9.666 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.627 13.937 10.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.796 12.347 10.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.191 12.755 11.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.809 13.420 11.268 1.00 1.00 H new ATOM 534 N GLN A 35 113.810 19.846 12.587 1.00 1.00 N ATOM 535 CA GLN A 35 114.365 20.778 13.571 1.00 1.00 C ATOM 536 C GLN A 35 115.186 21.882 12.940 1.00 1.00 C ATOM 537 O GLN A 35 115.111 23.036 13.363 1.00 1.00 O ATOM 538 CB GLN A 35 115.274 20.043 14.542 1.00 1.00 C ATOM 539 CG GLN A 35 114.547 18.828 15.075 1.00 1.00 C ATOM 540 CD GLN A 35 115.414 18.118 16.109 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.458 17.562 15.768 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.045 18.107 17.361 1.00 1.00 N ATOM 0 H GLN A 35 114.460 19.132 12.259 1.00 1.00 H new ATOM 0 HA GLN A 35 113.506 21.218 14.078 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.194 19.741 14.041 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.559 20.701 15.363 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.601 19.128 15.525 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.310 18.147 14.257 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.180 18.568 17.642 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.622 17.637 18.059 1.00 1.00 H new ATOM 551 N ASP A 36 116.002 21.533 11.960 1.00 1.00 N ATOM 552 CA ASP A 36 116.871 22.513 11.316 1.00 1.00 C ATOM 553 C ASP A 36 116.245 23.116 10.064 1.00 1.00 C ATOM 554 O ASP A 36 116.670 24.180 9.615 1.00 1.00 O ATOM 555 CB ASP A 36 118.205 21.861 10.949 1.00 1.00 C ATOM 556 CG ASP A 36 119.030 21.596 12.207 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.617 22.040 13.266 1.00 1.00 O ATOM 558 OD2 ASP A 36 120.068 20.965 12.092 1.00 1.00 O ATOM 0 H ASP A 36 116.084 20.585 11.592 1.00 1.00 H new ATOM 0 HA ASP A 36 117.025 23.322 12.030 1.00 1.00 H new ATOM 0 HB2 ASP A 36 118.027 20.925 10.419 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.760 22.510 10.272 1.00 1.00 H new ATOM 563 N HIS A 37 115.230 22.454 9.513 1.00 1.00 N ATOM 564 CA HIS A 37 114.531 22.946 8.326 1.00 1.00 C ATOM 565 C HIS A 37 115.401 22.913 7.070 1.00 1.00 C ATOM 566 O HIS A 37 115.050 23.514 6.055 1.00 1.00 O ATOM 567 CB HIS A 37 114.020 24.369 8.560 1.00 1.00 C ATOM 568 CG HIS A 37 113.329 24.446 9.899 1.00 1.00 C ATOM 569 ND1 HIS A 37 114.023 24.683 11.076 1.00 1.00 N ATOM 570 CD2 HIS A 37 112.007 24.338 10.259 1.00 1.00 C ATOM 571 CE1 HIS A 37 113.124 24.712 12.078 1.00 1.00 C ATOM 572 NE2 HIS A 37 111.881 24.507 11.636 1.00 1.00 N ATOM 0 H HIS A 37 114.871 21.569 9.872 1.00 1.00 H new ATOM 0 HA HIS A 37 113.691 22.272 8.158 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.850 25.074 8.527 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.329 24.653 7.766 1.00 1.00 H new ATOM 0 HD2 HIS A 37 111.190 24.151 9.578 1.00 1.00 H new ATOM 0 HE1 HIS A 37 113.378 24.881 13.114 1.00 1.00 H new ATOM 0 HE2 HIS A 37 111.024 24.480 12.188 1.00 1.00 H new ATOM 580 N LYS A 38 116.542 22.228 7.141 1.00 1.00 N ATOM 581 CA LYS A 38 117.443 22.158 5.995 1.00 1.00 C ATOM 582 C LYS A 38 116.872 21.228 4.909 1.00 1.00 C ATOM 583 O LYS A 38 116.491 20.099 5.216 1.00 1.00 O ATOM 584 CB LYS A 38 118.804 21.620 6.447 1.00 1.00 C ATOM 585 CG LYS A 38 119.707 22.781 6.872 1.00 1.00 C ATOM 586 CD LYS A 38 120.815 22.256 7.796 1.00 1.00 C ATOM 587 CE LYS A 38 122.119 23.007 7.522 1.00 1.00 C ATOM 588 NZ LYS A 38 122.790 22.409 6.335 1.00 1.00 N ATOM 0 H LYS A 38 116.860 21.721 7.967 1.00 1.00 H new ATOM 0 HA LYS A 38 117.553 23.160 5.581 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.673 20.926 7.278 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.272 21.062 5.636 1.00 1.00 H new ATOM 0 HG2 LYS A 38 120.145 23.255 5.994 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.121 23.543 7.386 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.523 22.385 8.838 1.00 1.00 H new ATOM 0 HD3 LYS A 38 120.959 21.188 7.635 1.00 1.00 H new ATOM 0 HE2 LYS A 38 121.914 24.063 7.345 1.00 1.00 H new ATOM 0 HE3 LYS A 38 122.774 22.951 8.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 123.197 23.165 5.749 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 123.547 21.769 6.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 122.095 21.874 5.776 1.00 1.00 H new ATOM 602 N PRO A 39 116.814 21.642 3.654 1.00 1.00 N ATOM 603 CA PRO A 39 116.286 20.763 2.567 1.00 1.00 C ATOM 604 C PRO A 39 117.037 19.435 2.492 1.00 1.00 C ATOM 605 O PRO A 39 118.217 19.357 2.836 1.00 1.00 O ATOM 606 CB PRO A 39 116.502 21.553 1.274 1.00 1.00 C ATOM 607 CG PRO A 39 116.798 22.960 1.670 1.00 1.00 C ATOM 608 CD PRO A 39 117.216 22.964 3.137 1.00 1.00 C ATOM 0 HA PRO A 39 115.240 20.514 2.744 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.326 21.133 0.698 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.615 21.508 0.642 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.592 23.371 1.047 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.920 23.589 1.523 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.290 23.118 3.241 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.724 23.768 3.685 1.00 1.00 H new ATOM 616 N ILE A 40 116.342 18.391 2.048 1.00 1.00 N ATOM 617 CA ILE A 40 116.945 17.070 1.943 1.00 1.00 C ATOM 618 C ILE A 40 117.161 16.712 0.477 1.00 1.00 C ATOM 619 O ILE A 40 116.220 16.740 -0.311 1.00 1.00 O ATOM 620 CB ILE A 40 116.022 16.015 2.562 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.282 16.602 3.771 1.00 1.00 C ATOM 622 CG2 ILE A 40 116.857 14.817 3.006 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.402 15.521 4.417 1.00 1.00 C ATOM 0 H ILE A 40 115.365 18.436 1.757 1.00 1.00 H new ATOM 0 HA ILE A 40 117.898 17.087 2.472 1.00 1.00 H new ATOM 0 HB ILE A 40 115.288 15.700 1.820 1.00 1.00 H new ATOM 0 HG12 ILE A 40 115.999 16.983 4.498 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.667 17.446 3.458 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.205 14.063 3.447 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.371 14.392 2.144 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.591 15.139 3.744 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.879 15.943 5.275 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.675 15.161 3.689 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.028 14.691 4.746 1.00 1.00 H new ATOM 635 N GLY A 41 118.387 16.334 0.126 1.00 1.00 N ATOM 636 CA GLY A 41 118.691 15.927 -1.236 1.00 1.00 C ATOM 637 C GLY A 41 118.882 14.416 -1.272 1.00 1.00 C ATOM 638 O GLY A 41 119.832 13.894 -0.684 1.00 1.00 O ATOM 0 H GLY A 41 119.181 16.302 0.765 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.883 16.220 -1.906 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.593 16.429 -1.586 1.00 1.00 H new ATOM 642 N LEU A 42 118.002 13.719 -1.985 1.00 1.00 N ATOM 643 CA LEU A 42 118.125 12.276 -2.104 1.00 1.00 C ATOM 644 C LEU A 42 118.792 11.967 -3.425 1.00 1.00 C ATOM 645 O LEU A 42 118.339 12.409 -4.484 1.00 1.00 O ATOM 646 CB LEU A 42 116.771 11.548 -2.083 1.00 1.00 C ATOM 647 CG LEU A 42 115.931 11.910 -0.856 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.660 13.408 -0.796 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.588 11.199 -0.968 1.00 1.00 C ATOM 0 H LEU A 42 117.209 14.125 -2.481 1.00 1.00 H new ATOM 0 HA LEU A 42 118.702 11.929 -1.247 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.214 11.796 -2.987 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.940 10.471 -2.099 1.00 1.00 H new ATOM 0 HG LEU A 42 116.477 11.610 0.038 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.061 13.634 0.086 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.606 13.947 -0.741 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.119 13.716 -1.691 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.973 11.444 -0.102 1.00 1.00 H new ATOM 0 HD22 LEU A 42 114.080 11.522 -1.877 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.749 10.122 -1.006 1.00 1.00 H new ATOM 661 N PHE A 43 119.875 11.220 -3.351 1.00 1.00 N ATOM 662 CA PHE A 43 120.616 10.860 -4.546 1.00 1.00 C ATOM 663 C PHE A 43 120.168 9.484 -5.041 1.00 1.00 C ATOM 664 O PHE A 43 120.506 8.466 -4.439 1.00 1.00 O ATOM 665 CB PHE A 43 122.109 10.855 -4.200 1.00 1.00 C ATOM 666 CG PHE A 43 122.964 10.841 -5.443 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.875 11.885 -6.372 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.868 9.792 -5.655 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.680 11.878 -7.510 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.677 9.791 -6.794 1.00 1.00 C ATOM 671 CZ PHE A 43 124.579 10.836 -7.723 1.00 1.00 C ATOM 0 H PHE A 43 120.261 10.851 -2.482 1.00 1.00 H new ATOM 0 HA PHE A 43 120.428 11.580 -5.343 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.348 11.735 -3.602 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.339 9.982 -3.589 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.182 12.697 -6.207 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.939 8.986 -4.940 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.606 12.682 -8.228 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.377 8.986 -6.959 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.202 10.833 -8.605 1.00 1.00 H new ATOM 681 N PHE A 44 119.427 9.451 -6.155 1.00 1.00 N ATOM 682 CA PHE A 44 118.955 8.197 -6.755 1.00 1.00 C ATOM 683 C PHE A 44 119.936 7.789 -7.848 1.00 1.00 C ATOM 684 O PHE A 44 120.152 8.547 -8.791 1.00 1.00 O ATOM 685 CB PHE A 44 117.562 8.400 -7.356 1.00 1.00 C ATOM 686 CG PHE A 44 116.529 8.419 -6.256 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.002 7.211 -5.786 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.091 9.635 -5.709 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.040 7.214 -4.770 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.126 9.634 -4.693 1.00 1.00 C ATOM 691 CZ PHE A 44 114.601 8.425 -4.226 1.00 1.00 C ATOM 0 H PHE A 44 119.139 10.287 -6.663 1.00 1.00 H new ATOM 0 HA PHE A 44 118.895 7.418 -5.995 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.529 9.336 -7.914 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.340 7.600 -8.062 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.338 6.275 -6.208 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.496 10.569 -6.070 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.636 6.281 -4.406 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.787 10.568 -4.270 1.00 1.00 H new ATOM 0 HZ PHE A 44 113.856 8.427 -3.444 1.00 1.00 H new ATOM 701 N THR A 45 120.536 6.598 -7.723 1.00 1.00 N ATOM 702 CA THR A 45 121.503 6.174 -8.740 1.00 1.00 C ATOM 703 C THR A 45 121.709 4.661 -8.862 1.00 1.00 C ATOM 704 O THR A 45 121.095 3.860 -8.159 1.00 1.00 O ATOM 705 CB THR A 45 122.852 6.836 -8.448 1.00 1.00 C ATOM 706 OG1 THR A 45 123.165 6.678 -7.069 1.00 1.00 O ATOM 707 CG2 THR A 45 122.796 8.325 -8.795 1.00 1.00 C ATOM 0 H THR A 45 120.378 5.937 -6.962 1.00 1.00 H new ATOM 0 HA THR A 45 121.081 6.489 -9.694 1.00 1.00 H new ATOM 0 HB THR A 45 123.622 6.362 -9.057 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.471 7.534 -6.703 1.00 1.00 H new ATOM 0 HG21 THR A 45 123.761 8.785 -8.583 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.562 8.443 -9.853 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.024 8.809 -8.197 1.00 1.00 H new ATOM 715 N GLY A 46 122.665 4.317 -9.727 1.00 1.00 N ATOM 716 CA GLY A 46 123.113 2.953 -9.964 1.00 1.00 C ATOM 717 C GLY A 46 124.633 2.996 -9.892 1.00 1.00 C ATOM 718 O GLY A 46 125.306 3.278 -10.882 1.00 1.00 O ATOM 0 H GLY A 46 123.160 5.004 -10.296 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.705 2.272 -9.217 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.778 2.595 -10.937 1.00 1.00 H new ATOM 722 N SER A 47 125.154 2.814 -8.689 1.00 1.00 N ATOM 723 CA SER A 47 126.585 2.938 -8.439 1.00 1.00 C ATOM 724 C SER A 47 127.482 2.046 -9.295 1.00 1.00 C ATOM 725 O SER A 47 128.607 2.439 -9.601 1.00 1.00 O ATOM 726 CB SER A 47 126.863 2.638 -6.969 1.00 1.00 C ATOM 727 OG SER A 47 125.944 3.361 -6.159 1.00 1.00 O ATOM 0 H SER A 47 124.604 2.578 -7.863 1.00 1.00 H new ATOM 0 HA SER A 47 126.836 3.963 -8.713 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.769 1.569 -6.780 1.00 1.00 H new ATOM 0 HB3 SER A 47 127.886 2.917 -6.716 1.00 1.00 H new ATOM 0 HG SER A 47 126.268 3.380 -5.234 1.00 1.00 H new ATOM 733 N ASP A 48 127.037 0.837 -9.641 1.00 1.00 N ATOM 734 CA ASP A 48 127.887 -0.075 -10.405 1.00 1.00 C ATOM 735 C ASP A 48 127.539 -0.182 -11.892 1.00 1.00 C ATOM 736 O ASP A 48 128.208 -0.935 -12.601 1.00 1.00 O ATOM 737 CB ASP A 48 127.806 -1.472 -9.787 1.00 1.00 C ATOM 738 CG ASP A 48 128.490 -1.480 -8.427 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.117 -0.487 -8.096 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.379 -2.480 -7.737 1.00 1.00 O ATOM 0 H ASP A 48 126.113 0.473 -9.410 1.00 1.00 H new ATOM 0 HA ASP A 48 128.892 0.344 -10.353 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.763 -1.772 -9.681 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.281 -2.198 -10.446 1.00 1.00 H new ATOM 745 N TRP A 49 126.486 0.491 -12.371 1.00 1.00 N ATOM 746 CA TRP A 49 126.118 0.330 -13.782 1.00 1.00 C ATOM 747 C TRP A 49 125.782 1.629 -14.508 1.00 1.00 C ATOM 748 O TRP A 49 125.828 1.667 -15.739 1.00 1.00 O ATOM 749 CB TRP A 49 124.929 -0.627 -13.886 1.00 1.00 C ATOM 750 CG TRP A 49 123.879 -0.252 -12.885 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.033 -0.264 -11.537 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.510 0.181 -13.128 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.849 0.118 -10.946 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.880 0.407 -11.881 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.760 0.394 -14.297 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.556 0.828 -11.796 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.424 0.822 -14.214 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.823 1.038 -12.966 1.00 1.00 C ATOM 0 H TRP A 49 125.897 1.125 -11.831 1.00 1.00 H new ATOM 0 HA TRP A 49 127.003 -0.068 -14.278 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.512 -0.593 -14.892 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.260 -1.651 -13.712 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.938 -0.530 -11.012 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.707 0.179 -9.938 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.212 0.228 -15.264 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.098 0.991 -10.831 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.856 0.986 -15.118 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.796 1.366 -12.910 1.00 1.00 H new ATOM 769 N CYS A 50 125.446 2.690 -13.788 1.00 1.00 N ATOM 770 CA CYS A 50 125.115 3.956 -14.432 1.00 1.00 C ATOM 771 C CYS A 50 126.342 4.861 -14.491 1.00 1.00 C ATOM 772 O CYS A 50 126.794 5.387 -13.477 1.00 1.00 O ATOM 773 CB CYS A 50 123.994 4.636 -13.658 1.00 1.00 C ATOM 774 SG CYS A 50 123.775 6.326 -14.253 1.00 1.00 S ATOM 0 H CYS A 50 125.395 2.702 -12.769 1.00 1.00 H new ATOM 0 HA CYS A 50 124.785 3.764 -15.453 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.066 4.076 -13.777 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.228 4.643 -12.593 1.00 1.00 H new ATOM 779 N MET A 51 126.888 5.015 -15.689 1.00 1.00 N ATOM 780 CA MET A 51 128.080 5.829 -15.885 1.00 1.00 C ATOM 781 C MET A 51 127.807 7.313 -15.684 1.00 1.00 C ATOM 782 O MET A 51 128.625 8.023 -15.099 1.00 1.00 O ATOM 783 CB MET A 51 128.641 5.589 -17.285 1.00 1.00 C ATOM 784 CG MET A 51 129.926 6.397 -17.464 1.00 1.00 C ATOM 785 SD MET A 51 130.705 5.951 -19.039 1.00 1.00 S ATOM 786 CE MET A 51 131.493 4.408 -18.503 1.00 1.00 C ATOM 0 H MET A 51 126.525 4.587 -16.540 1.00 1.00 H new ATOM 0 HA MET A 51 128.809 5.529 -15.133 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.843 4.528 -17.431 1.00 1.00 H new ATOM 0 HB3 MET A 51 127.908 5.880 -18.037 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.703 7.464 -17.445 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.610 6.200 -16.639 1.00 1.00 H new ATOM 0 HE1 MET A 51 132.575 4.540 -18.483 1.00 1.00 H new ATOM 0 HE2 MET A 51 131.141 4.147 -17.505 1.00 1.00 H new ATOM 0 HE3 MET A 51 131.238 3.608 -19.198 1.00 1.00 H new ATOM 796 N TRP A 52 126.668 7.789 -16.171 1.00 1.00 N ATOM 797 CA TRP A 52 126.321 9.194 -16.037 1.00 1.00 C ATOM 798 C TRP A 52 126.202 9.542 -14.566 1.00 1.00 C ATOM 799 O TRP A 52 126.474 10.668 -14.152 1.00 1.00 O ATOM 800 CB TRP A 52 124.993 9.482 -16.736 1.00 1.00 C ATOM 801 CG TRP A 52 125.122 9.210 -18.199 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.971 9.842 -19.043 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.391 8.244 -19.001 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.803 9.322 -20.315 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.839 8.332 -20.339 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.392 7.308 -18.694 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.310 7.517 -21.341 1.00 1.00 C ATOM 808 CZ3 TRP A 52 122.855 6.486 -19.697 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.313 6.589 -21.020 1.00 1.00 C ATOM 0 H TRP A 52 125.973 7.224 -16.660 1.00 1.00 H new ATOM 0 HA TRP A 52 127.101 9.798 -16.500 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.205 8.861 -16.309 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.704 10.520 -16.574 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.665 10.623 -18.769 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.326 9.632 -21.134 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.034 7.219 -17.679 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.667 7.602 -22.357 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.085 5.770 -19.450 1.00 1.00 H new ATOM 0 HH2 TRP A 52 122.897 5.954 -21.788 1.00 1.00 H new ATOM 820 N CYS A 53 125.803 8.556 -13.788 1.00 1.00 N ATOM 821 CA CYS A 53 125.653 8.743 -12.361 1.00 1.00 C ATOM 822 C CYS A 53 127.012 8.914 -11.726 1.00 1.00 C ATOM 823 O CYS A 53 127.199 9.767 -10.866 1.00 1.00 O ATOM 824 CB CYS A 53 124.940 7.541 -11.758 1.00 1.00 C ATOM 825 SG CYS A 53 123.336 7.343 -12.568 1.00 1.00 S ATOM 0 H CYS A 53 125.577 7.618 -14.120 1.00 1.00 H new ATOM 0 HA CYS A 53 125.059 9.637 -12.173 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.542 6.642 -11.889 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.806 7.682 -10.685 1.00 1.00 H new ATOM 830 N ILE A 54 127.966 8.118 -12.177 1.00 1.00 N ATOM 831 CA ILE A 54 129.310 8.208 -11.655 1.00 1.00 C ATOM 832 C ILE A 54 129.847 9.594 -11.944 1.00 1.00 C ATOM 833 O ILE A 54 130.488 10.213 -11.095 1.00 1.00 O ATOM 834 CB ILE A 54 130.204 7.186 -12.328 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.749 5.776 -11.929 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.647 7.417 -11.884 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.523 4.725 -12.727 1.00 1.00 C ATOM 0 H ILE A 54 127.833 7.409 -12.898 1.00 1.00 H new ATOM 0 HA ILE A 54 129.295 8.016 -10.582 1.00 1.00 H new ATOM 0 HB ILE A 54 130.140 7.288 -13.411 1.00 1.00 H new ATOM 0 HG12 ILE A 54 129.909 5.623 -10.862 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.680 5.666 -12.110 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.297 6.685 -12.364 1.00 1.00 H new ATOM 0 HG22 ILE A 54 131.959 8.422 -12.169 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.716 7.309 -10.802 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.191 3.729 -12.435 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.341 4.870 -13.792 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.589 4.826 -12.524 1.00 1.00 H new ATOM 849 N LYS A 55 129.595 10.070 -13.161 1.00 1.00 N ATOM 850 CA LYS A 55 130.076 11.379 -13.550 1.00 1.00 C ATOM 851 C LYS A 55 129.479 12.447 -12.643 1.00 1.00 C ATOM 852 O LYS A 55 130.185 13.352 -12.203 1.00 1.00 O ATOM 853 CB LYS A 55 129.724 11.676 -15.016 1.00 1.00 C ATOM 854 CG LYS A 55 130.424 10.683 -15.962 1.00 1.00 C ATOM 855 CD LYS A 55 131.948 10.880 -15.932 1.00 1.00 C ATOM 856 CE LYS A 55 132.574 10.255 -17.188 1.00 1.00 C ATOM 857 NZ LYS A 55 134.042 10.526 -17.205 1.00 1.00 N ATOM 0 H LYS A 55 129.069 9.573 -13.880 1.00 1.00 H new ATOM 0 HA LYS A 55 131.161 11.390 -13.448 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.644 11.616 -15.154 1.00 1.00 H new ATOM 0 HB3 LYS A 55 130.022 12.694 -15.266 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.179 9.662 -15.670 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.055 10.821 -16.978 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.186 11.943 -15.885 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.367 10.419 -15.037 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.392 9.180 -17.201 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.108 10.668 -18.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.463 10.102 -18.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.205 11.553 -17.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.481 10.112 -16.358 1.00 1.00 H new ATOM 871 N MET A 56 128.178 12.344 -12.351 1.00 1.00 N ATOM 872 CA MET A 56 127.538 13.322 -11.487 1.00 1.00 C ATOM 873 C MET A 56 128.185 13.291 -10.111 1.00 1.00 C ATOM 874 O MET A 56 128.468 14.334 -9.519 1.00 1.00 O ATOM 875 CB MET A 56 126.040 13.034 -11.357 1.00 1.00 C ATOM 876 CG MET A 56 125.391 14.143 -10.525 1.00 1.00 C ATOM 877 SD MET A 56 123.592 13.973 -10.572 1.00 1.00 S ATOM 878 CE MET A 56 123.225 15.322 -9.423 1.00 1.00 C ATOM 0 H MET A 56 127.564 11.606 -12.696 1.00 1.00 H new ATOM 0 HA MET A 56 127.664 14.310 -11.930 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.579 12.984 -12.343 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.882 12.066 -10.882 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.743 14.091 -9.495 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.683 15.119 -10.913 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.470 14.996 -8.708 1.00 1.00 H new ATOM 0 HE2 MET A 56 124.133 15.603 -8.889 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.851 16.182 -9.979 1.00 1.00 H new ATOM 888 N GLN A 57 128.424 12.078 -9.608 1.00 1.00 N ATOM 889 CA GLN A 57 129.044 11.914 -8.301 1.00 1.00 C ATOM 890 C GLN A 57 130.452 12.453 -8.303 1.00 1.00 C ATOM 891 O GLN A 57 130.846 13.210 -7.418 1.00 1.00 O ATOM 892 CB GLN A 57 129.165 10.437 -7.918 1.00 1.00 C ATOM 893 CG GLN A 57 127.796 9.833 -7.678 1.00 1.00 C ATOM 894 CD GLN A 57 127.948 8.393 -7.200 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.403 7.534 -7.955 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.609 8.081 -5.980 1.00 1.00 N ATOM 0 H GLN A 57 128.198 11.205 -10.084 1.00 1.00 H new ATOM 0 HA GLN A 57 128.407 12.451 -7.597 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.675 9.891 -8.711 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.775 10.338 -7.020 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.255 10.418 -6.935 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.209 9.862 -8.596 1.00 1.00 H new ATOM 0 HE21 GLN A 57 127.232 8.795 -5.357 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.721 7.123 -5.649 1.00 1.00 H new ATOM 905 N ASP A 58 131.218 12.033 -9.285 1.00 1.00 N ATOM 906 CA ASP A 58 132.613 12.438 -9.362 1.00 1.00 C ATOM 907 C ASP A 58 132.784 13.925 -9.670 1.00 1.00 C ATOM 908 O ASP A 58 133.707 14.556 -9.152 1.00 1.00 O ATOM 909 CB ASP A 58 133.318 11.613 -10.448 1.00 1.00 C ATOM 910 CG ASP A 58 133.800 10.267 -9.891 1.00 1.00 C ATOM 911 OD1 ASP A 58 133.659 10.043 -8.700 1.00 1.00 O ATOM 912 OD2 ASP A 58 134.292 9.471 -10.676 1.00 1.00 O ATOM 0 H ASP A 58 130.908 11.417 -10.037 1.00 1.00 H new ATOM 0 HA ASP A 58 133.057 12.258 -8.383 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.635 11.442 -11.281 1.00 1.00 H new ATOM 0 HB3 ASP A 58 134.167 12.173 -10.841 1.00 1.00 H new ATOM 917 N GLN A 59 131.953 14.477 -10.544 1.00 1.00 N ATOM 918 CA GLN A 59 132.121 15.878 -10.920 1.00 1.00 C ATOM 919 C GLN A 59 131.329 16.879 -10.080 1.00 1.00 C ATOM 920 O GLN A 59 131.722 18.044 -10.027 1.00 1.00 O ATOM 921 CB GLN A 59 131.731 16.075 -12.389 1.00 1.00 C ATOM 922 CG GLN A 59 132.619 15.212 -13.284 1.00 1.00 C ATOM 923 CD GLN A 59 134.070 15.675 -13.192 1.00 1.00 C ATOM 924 OE1 GLN A 59 134.374 16.832 -13.486 1.00 1.00 O ATOM 925 NE2 GLN A 59 134.985 14.839 -12.789 1.00 1.00 N ATOM 0 H GLN A 59 131.176 13.995 -10.996 1.00 1.00 H new ATOM 0 HA GLN A 59 133.176 16.087 -10.740 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.684 15.808 -12.535 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.834 17.125 -12.664 1.00 1.00 H new ATOM 0 HG2 GLN A 59 132.544 14.167 -12.984 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.275 15.273 -14.317 1.00 1.00 H new ATOM 0 HE21 GLN A 59 134.730 13.882 -12.546 1.00 1.00 H new ATOM 0 HE22 GLN A 59 135.956 15.142 -12.716 1.00 1.00 H new ATOM 934 N ILE A 60 130.197 16.481 -9.489 1.00 1.00 N ATOM 935 CA ILE A 60 129.386 17.455 -8.745 1.00 1.00 C ATOM 936 C ILE A 60 129.294 17.162 -7.255 1.00 1.00 C ATOM 937 O ILE A 60 129.605 18.032 -6.447 1.00 1.00 O ATOM 938 CB ILE A 60 127.970 17.489 -9.332 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.046 17.905 -10.806 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.113 18.504 -8.563 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.675 17.731 -11.465 1.00 1.00 C ATOM 0 H ILE A 60 129.830 15.529 -9.507 1.00 1.00 H new ATOM 0 HA ILE A 60 129.886 18.418 -8.849 1.00 1.00 H new ATOM 0 HB ILE A 60 127.519 16.500 -9.248 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.368 18.943 -10.884 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.789 17.301 -11.326 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.108 18.524 -8.984 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.061 18.215 -7.513 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.561 19.494 -8.645 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.734 18.028 -12.512 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.370 16.686 -11.401 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.943 18.355 -10.952 1.00 1.00 H new ATOM 953 N LEU A 61 128.845 15.984 -6.868 1.00 1.00 N ATOM 954 CA LEU A 61 128.706 15.695 -5.445 1.00 1.00 C ATOM 955 C LEU A 61 130.050 15.784 -4.731 1.00 1.00 C ATOM 956 O LEU A 61 130.125 16.250 -3.593 1.00 1.00 O ATOM 957 CB LEU A 61 128.137 14.295 -5.192 1.00 1.00 C ATOM 958 CG LEU A 61 126.656 14.171 -5.615 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.745 14.715 -4.521 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.367 14.944 -6.896 1.00 1.00 C ATOM 0 H LEU A 61 128.575 15.227 -7.496 1.00 1.00 H new ATOM 0 HA LEU A 61 128.016 16.444 -5.055 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.730 13.562 -5.738 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.230 14.055 -4.133 1.00 1.00 H new ATOM 0 HG LEU A 61 126.464 13.111 -5.784 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.705 14.621 -4.833 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.901 14.149 -3.603 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.977 15.765 -4.343 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.315 14.831 -7.160 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.592 16.000 -6.743 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.987 14.555 -7.704 1.00 1.00 H new ATOM 972 N GLN A 62 131.107 15.297 -5.384 1.00 1.00 N ATOM 973 CA GLN A 62 132.436 15.286 -4.779 1.00 1.00 C ATOM 974 C GLN A 62 133.235 16.564 -5.049 1.00 1.00 C ATOM 975 O GLN A 62 134.404 16.652 -4.674 1.00 1.00 O ATOM 976 CB GLN A 62 133.220 14.088 -5.307 1.00 1.00 C ATOM 977 CG GLN A 62 132.575 12.801 -4.797 1.00 1.00 C ATOM 978 CD GLN A 62 133.276 11.592 -5.403 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.283 11.740 -6.096 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.798 10.398 -5.188 1.00 1.00 N ATOM 0 H GLN A 62 131.067 14.908 -6.326 1.00 1.00 H new ATOM 0 HA GLN A 62 132.292 15.220 -3.701 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.230 14.097 -6.397 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.258 14.144 -4.978 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.636 12.760 -3.709 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.517 12.787 -5.058 1.00 1.00 H new ATOM 0 HE21 GLN A 62 131.964 10.278 -4.614 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.258 9.584 -5.594 1.00 1.00 H new ATOM 989 N SER A 63 132.624 17.552 -5.696 1.00 1.00 N ATOM 990 CA SER A 63 133.332 18.800 -5.986 1.00 1.00 C ATOM 991 C SER A 63 133.351 19.717 -4.766 1.00 1.00 C ATOM 992 O SER A 63 132.481 19.628 -3.901 1.00 1.00 O ATOM 993 CB SER A 63 132.682 19.531 -7.158 1.00 1.00 C ATOM 994 OG SER A 63 133.109 18.929 -8.371 1.00 1.00 O ATOM 0 H SER A 63 131.659 17.518 -6.025 1.00 1.00 H new ATOM 0 HA SER A 63 134.358 18.540 -6.249 1.00 1.00 H new ATOM 0 HB2 SER A 63 131.596 19.484 -7.076 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.957 20.586 -7.144 1.00 1.00 H new ATOM 0 HG SER A 63 132.329 18.598 -8.864 1.00 1.00 H new ATOM 1000 N SER A 64 134.373 20.568 -4.680 1.00 1.00 N ATOM 1001 CA SER A 64 134.532 21.462 -3.537 1.00 1.00 C ATOM 1002 C SER A 64 133.343 22.401 -3.342 1.00 1.00 C ATOM 1003 O SER A 64 132.888 22.589 -2.214 1.00 1.00 O ATOM 1004 CB SER A 64 135.801 22.299 -3.723 1.00 1.00 C ATOM 1005 OG SER A 64 136.926 21.433 -3.827 1.00 1.00 O ATOM 0 H SER A 64 135.102 20.656 -5.388 1.00 1.00 H new ATOM 0 HA SER A 64 134.599 20.834 -2.648 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.717 22.913 -4.619 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.928 22.979 -2.881 1.00 1.00 H new ATOM 0 HG SER A 64 137.739 21.966 -3.948 1.00 1.00 H new ATOM 1011 N GLU A 65 132.848 23.011 -4.419 1.00 1.00 N ATOM 1012 CA GLU A 65 131.734 23.944 -4.303 1.00 1.00 C ATOM 1013 C GLU A 65 130.482 23.249 -3.789 1.00 1.00 C ATOM 1014 O GLU A 65 129.786 23.771 -2.919 1.00 1.00 O ATOM 1015 CB GLU A 65 131.423 24.556 -5.670 1.00 1.00 C ATOM 1016 CG GLU A 65 132.626 25.352 -6.178 1.00 1.00 C ATOM 1017 CD GLU A 65 132.861 26.576 -5.301 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.940 26.961 -4.600 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.956 27.111 -5.345 1.00 1.00 O ATOM 0 H GLU A 65 133.197 22.877 -5.368 1.00 1.00 H new ATOM 0 HA GLU A 65 132.026 24.720 -3.595 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.172 23.768 -6.381 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.552 25.207 -5.595 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.514 24.720 -6.178 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.456 25.662 -7.209 1.00 1.00 H new ATOM 1026 N PHE A 66 130.204 22.067 -4.323 1.00 1.00 N ATOM 1027 CA PHE A 66 129.042 21.302 -3.909 1.00 1.00 C ATOM 1028 C PHE A 66 129.155 20.907 -2.441 1.00 1.00 C ATOM 1029 O PHE A 66 128.187 21.009 -1.686 1.00 1.00 O ATOM 1030 CB PHE A 66 128.930 20.047 -4.766 1.00 1.00 C ATOM 1031 CG PHE A 66 127.694 19.294 -4.367 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.731 18.463 -3.249 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.511 19.438 -5.100 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.587 17.769 -2.859 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.360 18.742 -4.710 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.399 17.906 -3.587 1.00 1.00 C ATOM 0 H PHE A 66 130.770 21.619 -5.044 1.00 1.00 H new ATOM 0 HA PHE A 66 128.153 21.919 -4.037 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.884 20.314 -5.822 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.812 19.420 -4.634 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.646 18.357 -2.685 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.485 20.085 -5.965 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.617 17.124 -1.993 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.445 18.850 -5.274 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.514 17.368 -3.283 1.00 1.00 H new ATOM 1046 N LYS A 67 130.340 20.447 -2.048 1.00 1.00 N ATOM 1047 CA LYS A 67 130.559 20.029 -0.672 1.00 1.00 C ATOM 1048 C LYS A 67 130.315 21.178 0.277 1.00 1.00 C ATOM 1049 O LYS A 67 129.671 21.012 1.312 1.00 1.00 O ATOM 1050 CB LYS A 67 132.001 19.558 -0.463 1.00 1.00 C ATOM 1051 CG LYS A 67 132.216 18.170 -1.060 1.00 1.00 C ATOM 1052 CD LYS A 67 133.681 17.775 -0.858 1.00 1.00 C ATOM 1053 CE LYS A 67 133.909 16.352 -1.355 1.00 1.00 C ATOM 1054 NZ LYS A 67 132.883 15.451 -0.762 1.00 1.00 N ATOM 0 H LYS A 67 131.153 20.356 -2.657 1.00 1.00 H new ATOM 0 HA LYS A 67 129.865 19.213 -0.472 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.689 20.267 -0.924 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.230 19.539 0.602 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.559 17.445 -0.580 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.967 18.172 -2.121 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.330 18.466 -1.396 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.944 17.847 0.197 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.851 16.321 -2.443 1.00 1.00 H new ATOM 0 HE3 LYS A 67 134.908 16.015 -1.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 133.230 14.471 -0.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 132.698 15.735 0.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 132.003 15.517 -1.313 1.00 1.00 H new ATOM 1068 N HIS A 68 130.841 22.343 -0.064 1.00 1.00 N ATOM 1069 CA HIS A 68 130.687 23.493 0.784 1.00 1.00 C ATOM 1070 C HIS A 68 129.235 23.915 0.862 1.00 1.00 C ATOM 1071 O HIS A 68 128.716 24.172 1.948 1.00 1.00 O ATOM 1072 CB HIS A 68 131.530 24.656 0.258 1.00 1.00 C ATOM 1073 CG HIS A 68 131.463 25.804 1.229 1.00 1.00 C ATOM 1074 ND1 HIS A 68 130.430 26.729 1.215 1.00 1.00 N ATOM 1075 CD2 HIS A 68 132.292 26.186 2.256 1.00 1.00 C ATOM 1076 CE1 HIS A 68 130.660 27.611 2.205 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.782 27.326 2.871 1.00 1.00 N ATOM 0 H HIS A 68 131.373 22.508 -0.918 1.00 1.00 H new ATOM 0 HA HIS A 68 131.028 23.223 1.783 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.564 24.338 0.125 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.165 24.971 -0.720 1.00 1.00 H new ATOM 0 HD2 HIS A 68 133.201 25.679 2.543 1.00 1.00 H new ATOM 0 HE1 HIS A 68 130.016 28.447 2.433 1.00 1.00 H new ATOM 0 HE2 HIS A 68 132.180 27.834 3.661 1.00 1.00 H new ATOM 1085 N PHE A 69 128.571 23.991 -0.288 1.00 1.00 N ATOM 1086 CA PHE A 69 127.186 24.394 -0.320 1.00 1.00 C ATOM 1087 C PHE A 69 126.324 23.416 0.463 1.00 1.00 C ATOM 1088 O PHE A 69 125.502 23.819 1.286 1.00 1.00 O ATOM 1089 CB PHE A 69 126.706 24.462 -1.774 1.00 1.00 C ATOM 1090 CG PHE A 69 125.213 24.678 -1.815 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.669 25.893 -1.384 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.371 23.663 -2.284 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.285 26.094 -1.422 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.988 23.864 -2.322 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.444 25.079 -1.892 1.00 1.00 C ATOM 0 H PHE A 69 128.975 23.778 -1.200 1.00 1.00 H new ATOM 0 HA PHE A 69 127.096 25.378 0.141 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.214 25.273 -2.296 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.963 23.539 -2.294 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.318 26.676 -1.022 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.790 22.725 -2.617 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.866 27.032 -1.089 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.339 23.080 -2.684 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.376 25.234 -1.923 1.00 1.00 H new ATOM 1105 N ALA A 70 126.484 22.131 0.163 1.00 1.00 N ATOM 1106 CA ALA A 70 125.695 21.088 0.787 1.00 1.00 C ATOM 1107 C ALA A 70 125.990 20.911 2.271 1.00 1.00 C ATOM 1108 O ALA A 70 125.084 20.631 3.055 1.00 1.00 O ATOM 1109 CB ALA A 70 125.934 19.758 0.069 1.00 1.00 C ATOM 0 H ALA A 70 127.163 21.790 -0.517 1.00 1.00 H new ATOM 0 HA ALA A 70 124.653 21.397 0.700 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.339 18.977 0.542 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.644 19.852 -0.977 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.990 19.496 0.130 1.00 1.00 H new ATOM 1115 N GLY A 71 127.248 21.054 2.660 1.00 1.00 N ATOM 1116 CA GLY A 71 127.617 20.880 4.052 1.00 1.00 C ATOM 1117 C GLY A 71 126.973 21.950 4.908 1.00 1.00 C ATOM 1118 O GLY A 71 126.594 21.704 6.052 1.00 1.00 O ATOM 0 H GLY A 71 128.021 21.288 2.037 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.306 19.894 4.397 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.701 20.926 4.156 1.00 1.00 H new ATOM 1122 N VAL A 72 126.882 23.146 4.355 1.00 1.00 N ATOM 1123 CA VAL A 72 126.323 24.263 5.073 1.00 1.00 C ATOM 1124 C VAL A 72 124.801 24.347 4.956 1.00 1.00 C ATOM 1125 O VAL A 72 124.135 24.685 5.937 1.00 1.00 O ATOM 1126 CB VAL A 72 126.954 25.550 4.545 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.068 26.735 4.895 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.331 25.738 5.183 1.00 1.00 C ATOM 0 H VAL A 72 127.191 23.363 3.407 1.00 1.00 H new ATOM 0 HA VAL A 72 126.546 24.123 6.131 1.00 1.00 H new ATOM 0 HB VAL A 72 127.058 25.485 3.462 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.521 27.652 4.517 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.086 26.601 4.441 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.962 26.802 5.978 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.784 26.656 4.808 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.225 25.802 6.266 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.968 24.890 4.931 1.00 1.00 H new ATOM 1138 N HIS A 73 124.251 24.146 3.756 1.00 1.00 N ATOM 1139 CA HIS A 73 122.813 24.323 3.547 1.00 1.00 C ATOM 1140 C HIS A 73 121.982 23.050 3.346 1.00 1.00 C ATOM 1141 O HIS A 73 120.765 23.179 3.211 1.00 1.00 O ATOM 1142 CB HIS A 73 122.600 25.239 2.336 1.00 1.00 C ATOM 1143 CG HIS A 73 123.079 26.626 2.660 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.602 27.334 3.752 1.00 1.00 N ATOM 1145 CD2 HIS A 73 123.998 27.446 2.053 1.00 1.00 C ATOM 1146 CE1 HIS A 73 123.229 28.523 3.769 1.00 1.00 C ATOM 1147 NE2 HIS A 73 124.091 28.644 2.755 1.00 1.00 N ATOM 0 H HIS A 73 124.771 23.864 2.925 1.00 1.00 H new ATOM 0 HA HIS A 73 122.450 24.748 4.483 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.141 24.849 1.473 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.544 25.262 2.067 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.563 27.199 1.166 1.00 1.00 H new ATOM 0 HE1 HIS A 73 123.057 29.288 4.512 1.00 1.00 H new ATOM 0 HE2 HIS A 73 124.689 29.443 2.542 1.00 1.00 H new ATOM 1155 N LEU A 74 122.568 21.840 3.262 1.00 1.00 N ATOM 1156 CA LEU A 74 121.703 20.673 3.000 1.00 1.00 C ATOM 1157 C LEU A 74 122.032 19.402 3.770 1.00 1.00 C ATOM 1158 O LEU A 74 123.125 19.245 4.313 1.00 1.00 O ATOM 1159 CB LEU A 74 121.735 20.320 1.514 1.00 1.00 C ATOM 1160 CG LEU A 74 121.065 21.413 0.674 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.119 22.391 0.167 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.376 20.758 -0.519 1.00 1.00 C ATOM 0 H LEU A 74 123.565 21.649 3.363 1.00 1.00 H new ATOM 0 HA LEU A 74 120.722 21.001 3.345 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.767 20.189 1.190 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.227 19.369 1.352 1.00 1.00 H new ATOM 0 HG LEU A 74 120.338 21.951 1.282 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.639 23.166 -0.430 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.628 22.849 1.015 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.845 21.858 -0.447 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.894 21.524 -1.127 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.115 20.229 -1.121 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.626 20.052 -0.163 1.00 1.00 H new ATOM 1174 N HIS A 75 121.098 18.458 3.705 1.00 1.00 N ATOM 1175 CA HIS A 75 121.283 17.135 4.278 1.00 1.00 C ATOM 1176 C HIS A 75 121.278 16.181 3.093 1.00 1.00 C ATOM 1177 O HIS A 75 120.352 16.222 2.282 1.00 1.00 O ATOM 1178 CB HIS A 75 120.163 16.782 5.259 1.00 1.00 C ATOM 1179 CG HIS A 75 120.299 17.621 6.499 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.466 17.650 7.247 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.424 18.462 7.139 1.00 1.00 C ATOM 1182 CE1 HIS A 75 121.264 18.483 8.284 1.00 1.00 C ATOM 1183 NE2 HIS A 75 120.037 19.005 8.266 1.00 1.00 N ATOM 0 H HIS A 75 120.193 18.591 3.253 1.00 1.00 H new ATOM 0 HA HIS A 75 122.209 17.079 4.849 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.192 16.954 4.795 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.211 15.724 5.516 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.414 18.671 6.818 1.00 1.00 H new ATOM 0 HE1 HIS A 75 122.005 18.702 9.039 1.00 1.00 H new ATOM 0 HE2 HIS A 75 119.634 19.661 8.934 1.00 1.00 H new ATOM 1191 N MET A 76 122.308 15.358 2.959 1.00 1.00 N ATOM 1192 CA MET A 76 122.378 14.452 1.818 1.00 1.00 C ATOM 1193 C MET A 76 122.058 13.017 2.202 1.00 1.00 C ATOM 1194 O MET A 76 122.582 12.483 3.180 1.00 1.00 O ATOM 1195 CB MET A 76 123.772 14.514 1.195 1.00 1.00 C ATOM 1196 CG MET A 76 124.005 15.892 0.561 1.00 1.00 C ATOM 1197 SD MET A 76 124.599 15.673 -1.134 1.00 1.00 S ATOM 1198 CE MET A 76 122.989 15.497 -1.943 1.00 1.00 C ATOM 0 H MET A 76 123.091 15.297 3.609 1.00 1.00 H new ATOM 0 HA MET A 76 121.627 14.777 1.098 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.528 14.323 1.957 1.00 1.00 H new ATOM 0 HB3 MET A 76 123.876 13.735 0.440 1.00 1.00 H new ATOM 0 HG2 MET A 76 123.080 16.468 0.563 1.00 1.00 H new ATOM 0 HG3 MET A 76 124.733 16.456 1.144 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.128 15.091 -2.945 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.361 14.822 -1.361 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.507 16.472 -2.011 1.00 1.00 H new ATOM 1208 N VAL A 77 121.208 12.391 1.391 1.00 1.00 N ATOM 1209 CA VAL A 77 120.825 11.008 1.604 1.00 1.00 C ATOM 1210 C VAL A 77 121.179 10.216 0.356 1.00 1.00 C ATOM 1211 O VAL A 77 120.865 10.629 -0.760 1.00 1.00 O ATOM 1212 CB VAL A 77 119.323 10.910 1.880 1.00 1.00 C ATOM 1213 CG1 VAL A 77 118.885 9.454 1.774 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.020 11.423 3.290 1.00 1.00 C ATOM 0 H VAL A 77 120.773 12.827 0.578 1.00 1.00 H new ATOM 0 HA VAL A 77 121.356 10.605 2.466 1.00 1.00 H new ATOM 0 HB VAL A 77 118.784 11.514 1.151 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.815 9.381 1.970 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.096 9.083 0.771 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.430 8.856 2.505 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.949 11.351 3.481 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.560 10.821 4.020 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.334 12.463 3.374 1.00 1.00 H new ATOM 1224 N GLU A 78 121.847 9.088 0.546 1.00 1.00 N ATOM 1225 CA GLU A 78 122.252 8.266 -0.581 1.00 1.00 C ATOM 1226 C GLU A 78 121.269 7.126 -0.789 1.00 1.00 C ATOM 1227 O GLU A 78 120.974 6.363 0.131 1.00 1.00 O ATOM 1228 CB GLU A 78 123.660 7.715 -0.346 1.00 1.00 C ATOM 1229 CG GLU A 78 124.143 6.974 -1.594 1.00 1.00 C ATOM 1230 CD GLU A 78 125.618 6.616 -1.443 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.115 6.690 -0.331 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.234 6.286 -2.443 1.00 1.00 O ATOM 0 H GLU A 78 122.117 8.725 1.460 1.00 1.00 H new ATOM 0 HA GLU A 78 122.258 8.883 -1.479 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.344 8.530 -0.108 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.658 7.041 0.510 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.553 6.070 -1.742 1.00 1.00 H new ATOM 0 HG3 GLU A 78 123.999 7.597 -2.477 1.00 1.00 H new ATOM 1239 N VAL A 79 120.773 7.017 -2.015 1.00 1.00 N ATOM 1240 CA VAL A 79 119.831 5.971 -2.367 1.00 1.00 C ATOM 1241 C VAL A 79 120.308 5.290 -3.641 1.00 1.00 C ATOM 1242 O VAL A 79 120.135 5.811 -4.743 1.00 1.00 O ATOM 1243 CB VAL A 79 118.443 6.578 -2.601 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.378 5.495 -2.437 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.193 7.697 -1.587 1.00 1.00 C ATOM 0 H VAL A 79 121.011 7.645 -2.783 1.00 1.00 H new ATOM 0 HA VAL A 79 119.769 5.245 -1.556 1.00 1.00 H new ATOM 0 HB VAL A 79 118.394 6.987 -3.610 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.391 5.927 -2.603 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.553 4.700 -3.162 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.429 5.084 -1.429 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.206 8.127 -1.756 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.244 7.291 -0.577 1.00 1.00 H new ATOM 0 HG23 VAL A 79 118.951 8.471 -1.706 1.00 1.00 H new ATOM 1255 N ASP A 80 121.015 4.178 -3.457 1.00 1.00 N ATOM 1256 CA ASP A 80 121.641 3.498 -4.588 1.00 1.00 C ATOM 1257 C ASP A 80 120.988 2.192 -5.013 1.00 1.00 C ATOM 1258 O ASP A 80 120.467 1.451 -4.179 1.00 1.00 O ATOM 1259 CB ASP A 80 123.105 3.220 -4.253 1.00 1.00 C ATOM 1260 CG ASP A 80 123.891 4.526 -4.199 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.378 5.527 -4.671 1.00 1.00 O ATOM 1262 OD2 ASP A 80 124.998 4.505 -3.685 1.00 1.00 O ATOM 0 H ASP A 80 121.168 3.734 -2.551 1.00 1.00 H new ATOM 0 HA ASP A 80 121.522 4.178 -5.432 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.175 2.705 -3.295 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.538 2.558 -5.003 1.00 1.00 H new ATOM 1267 N PHE A 81 121.051 1.894 -6.307 1.00 1.00 N ATOM 1268 CA PHE A 81 120.503 0.654 -6.830 1.00 1.00 C ATOM 1269 C PHE A 81 121.586 -0.066 -7.638 1.00 1.00 C ATOM 1270 O PHE A 81 121.579 -0.037 -8.869 1.00 1.00 O ATOM 1271 CB PHE A 81 119.296 0.959 -7.713 1.00 1.00 C ATOM 1272 CG PHE A 81 118.102 1.204 -6.828 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.478 0.127 -6.191 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.625 2.506 -6.635 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.374 0.350 -5.362 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.522 2.731 -5.805 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.896 1.651 -5.169 1.00 1.00 C ATOM 0 H PHE A 81 121.477 2.497 -7.011 1.00 1.00 H new ATOM 0 HA PHE A 81 120.180 0.013 -6.010 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.493 1.833 -8.333 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.101 0.126 -8.389 1.00 1.00 H new ATOM 0 HD1 PHE A 81 117.848 -0.877 -6.339 1.00 1.00 H new ATOM 0 HD2 PHE A 81 118.109 3.337 -7.127 1.00 1.00 H new ATOM 0 HE1 PHE A 81 115.890 -0.482 -4.871 1.00 1.00 H new ATOM 0 HE2 PHE A 81 116.154 3.735 -5.655 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.043 1.823 -4.529 1.00 1.00 H new ATOM 1287 N PRO A 82 122.534 -0.674 -6.962 1.00 1.00 N ATOM 1288 CA PRO A 82 123.672 -1.380 -7.619 1.00 1.00 C ATOM 1289 C PRO A 82 123.301 -2.737 -8.216 1.00 1.00 C ATOM 1290 O PRO A 82 122.284 -3.325 -7.858 1.00 1.00 O ATOM 1291 CB PRO A 82 124.697 -1.527 -6.496 1.00 1.00 C ATOM 1292 CG PRO A 82 123.907 -1.549 -5.231 1.00 1.00 C ATOM 1293 CD PRO A 82 122.621 -0.760 -5.491 1.00 1.00 C ATOM 0 HA PRO A 82 124.039 -0.820 -8.479 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.277 -2.443 -6.612 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.405 -0.699 -6.501 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.678 -2.573 -4.937 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.475 -1.103 -4.414 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.752 -1.266 -5.071 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.664 0.230 -5.037 1.00 1.00 H new ATOM 1301 N GLN A 83 124.157 -3.237 -9.106 1.00 1.00 N ATOM 1302 CA GLN A 83 123.923 -4.546 -9.710 1.00 1.00 C ATOM 1303 C GLN A 83 124.199 -5.636 -8.678 1.00 1.00 C ATOM 1304 O GLN A 83 123.447 -6.603 -8.559 1.00 1.00 O ATOM 1305 CB GLN A 83 124.841 -4.758 -10.919 1.00 1.00 C ATOM 1306 CG GLN A 83 124.518 -3.729 -12.002 1.00 1.00 C ATOM 1307 CD GLN A 83 123.121 -3.967 -12.566 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.821 -5.061 -13.045 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.244 -3.001 -12.545 1.00 1.00 N ATOM 0 H GLN A 83 125.005 -2.765 -9.420 1.00 1.00 H new ATOM 0 HA GLN A 83 122.886 -4.594 -10.042 1.00 1.00 H new ATOM 0 HB2 GLN A 83 125.884 -4.665 -10.616 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.712 -5.766 -11.313 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.582 -2.723 -11.587 1.00 1.00 H new ATOM 0 HG3 GLN A 83 125.255 -3.791 -12.802 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.493 -2.095 -12.148 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.310 -3.152 -12.925 1.00 1.00 H new ATOM 1318 N LYS A 84 125.258 -5.437 -7.902 1.00 1.00 N ATOM 1319 CA LYS A 84 125.610 -6.359 -6.839 1.00 1.00 C ATOM 1320 C LYS A 84 125.190 -5.732 -5.516 1.00 1.00 C ATOM 1321 O LYS A 84 125.890 -4.892 -4.949 1.00 1.00 O ATOM 1322 CB LYS A 84 127.106 -6.640 -6.849 1.00 1.00 C ATOM 1323 CG LYS A 84 127.428 -7.681 -5.777 1.00 1.00 C ATOM 1324 CD LYS A 84 128.909 -8.034 -5.850 1.00 1.00 C ATOM 1325 CE LYS A 84 129.241 -9.087 -4.792 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.688 -9.440 -4.877 1.00 1.00 N ATOM 0 H LYS A 84 125.888 -4.640 -7.993 1.00 1.00 H new ATOM 0 HA LYS A 84 125.098 -7.311 -6.982 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.414 -7.003 -7.830 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.662 -5.722 -6.660 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.183 -7.291 -4.789 1.00 1.00 H new ATOM 0 HG3 LYS A 84 126.821 -8.574 -5.926 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.154 -8.412 -6.843 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.514 -7.141 -5.691 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.007 -8.706 -3.798 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.629 -9.976 -4.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 130.913 -10.156 -4.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 130.898 -9.821 -5.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.263 -8.590 -4.711 1.00 1.00 H new ATOM 1340 N ASN A 85 124.019 -6.131 -5.069 1.00 1.00 N ATOM 1341 CA ASN A 85 123.445 -5.592 -3.830 1.00 1.00 C ATOM 1342 C ASN A 85 123.718 -6.481 -2.614 1.00 1.00 C ATOM 1343 O ASN A 85 122.938 -7.398 -2.362 1.00 1.00 O ATOM 1344 CB ASN A 85 121.930 -5.455 -3.993 1.00 1.00 C ATOM 1345 CG ASN A 85 121.598 -4.779 -5.317 1.00 1.00 C ATOM 1346 OD1 ASN A 85 122.182 -5.113 -6.347 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.680 -3.848 -5.351 1.00 1.00 N ATOM 0 H ASN A 85 123.437 -6.826 -5.536 1.00 1.00 H new ATOM 0 HA ASN A 85 123.919 -4.626 -3.654 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.463 -6.439 -3.953 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.520 -4.873 -3.167 1.00 1.00 H new ATOM 0 HD21 ASN A 85 120.445 -3.395 -6.234 1.00 1.00 H new ATOM 0 HD22 ASN A 85 120.199 -3.575 -4.494 1.00 1.00 H new ATOM 1354 N HIS A 86 124.760 -6.217 -1.826 1.00 1.00 N ATOM 1355 CA HIS A 86 125.009 -7.020 -0.628 1.00 1.00 C ATOM 1356 C HIS A 86 124.430 -6.291 0.593 1.00 1.00 C ATOM 1357 O HIS A 86 124.931 -6.433 1.707 1.00 1.00 O ATOM 1358 CB HIS A 86 126.514 -7.261 -0.444 1.00 1.00 C ATOM 1359 CG HIS A 86 126.919 -8.493 -1.208 1.00 1.00 C ATOM 1360 ND1 HIS A 86 127.813 -9.421 -0.696 1.00 1.00 N ATOM 1361 CD2 HIS A 86 126.558 -8.965 -2.446 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.958 -10.395 -1.612 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.216 -10.166 -2.700 1.00 1.00 N ATOM 0 H HIS A 86 125.434 -5.469 -1.990 1.00 1.00 H new ATOM 0 HA HIS A 86 124.524 -7.990 -0.736 1.00 1.00 H new ATOM 0 HB2 HIS A 86 127.078 -6.398 -0.798 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.748 -7.382 0.614 1.00 1.00 H new ATOM 0 HD2 HIS A 86 125.869 -8.479 -3.120 1.00 1.00 H new ATOM 0 HE1 HIS A 86 128.596 -11.257 -1.484 1.00 1.00 H new ATOM 0 HE2 HIS A 86 127.147 -10.746 -3.536 1.00 1.00 H new ATOM 1371 N GLN A 87 123.360 -5.523 0.382 1.00 1.00 N ATOM 1372 CA GLN A 87 122.723 -4.801 1.492 1.00 1.00 C ATOM 1373 C GLN A 87 121.633 -5.670 2.137 1.00 1.00 C ATOM 1374 O GLN A 87 121.163 -6.633 1.531 1.00 1.00 O ATOM 1375 CB GLN A 87 122.100 -3.479 1.015 1.00 1.00 C ATOM 1376 CG GLN A 87 122.320 -3.276 -0.486 1.00 1.00 C ATOM 1377 CD GLN A 87 123.802 -3.081 -0.785 1.00 1.00 C ATOM 1378 OE1 GLN A 87 124.653 -3.389 0.050 1.00 1.00 O ATOM 1379 NE2 GLN A 87 124.163 -2.579 -1.935 1.00 1.00 N ATOM 0 H GLN A 87 122.921 -5.384 -0.528 1.00 1.00 H new ATOM 0 HA GLN A 87 123.497 -4.577 2.226 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.032 -3.477 1.233 1.00 1.00 H new ATOM 0 HB3 GLN A 87 122.539 -2.647 1.566 1.00 1.00 H new ATOM 0 HG2 GLN A 87 121.942 -4.138 -1.035 1.00 1.00 H new ATOM 0 HG3 GLN A 87 121.756 -2.408 -0.828 1.00 1.00 H new ATOM 0 HE21 GLN A 87 123.456 -2.325 -2.625 1.00 1.00 H new ATOM 0 HE22 GLN A 87 125.152 -2.441 -2.143 1.00 1.00 H new ATOM 1388 N PRO A 88 121.229 -5.351 3.345 1.00 1.00 N ATOM 1389 CA PRO A 88 120.174 -6.119 4.082 1.00 1.00 C ATOM 1390 C PRO A 88 118.771 -5.913 3.509 1.00 1.00 C ATOM 1391 O PRO A 88 118.510 -4.928 2.817 1.00 1.00 O ATOM 1392 CB PRO A 88 120.260 -5.577 5.508 1.00 1.00 C ATOM 1393 CG PRO A 88 120.812 -4.200 5.370 1.00 1.00 C ATOM 1394 CD PRO A 88 121.732 -4.221 4.148 1.00 1.00 C ATOM 0 HA PRO A 88 120.342 -7.194 4.010 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.279 -5.562 5.983 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.905 -6.200 6.128 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.011 -3.472 5.240 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.363 -3.911 6.265 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.682 -3.284 3.594 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.774 -4.367 4.434 1.00 1.00 H new ATOM 1402 N GLU A 89 117.884 -6.870 3.767 1.00 1.00 N ATOM 1403 CA GLU A 89 116.522 -6.808 3.244 1.00 1.00 C ATOM 1404 C GLU A 89 115.826 -5.499 3.617 1.00 1.00 C ATOM 1405 O GLU A 89 115.168 -4.894 2.778 1.00 1.00 O ATOM 1406 CB GLU A 89 115.704 -7.991 3.778 1.00 1.00 C ATOM 1407 CG GLU A 89 114.317 -8.001 3.124 1.00 1.00 C ATOM 1408 CD GLU A 89 113.514 -9.202 3.616 1.00 1.00 C ATOM 1409 OE1 GLU A 89 113.925 -9.805 4.594 1.00 1.00 O ATOM 1410 OE2 GLU A 89 112.501 -9.502 3.005 1.00 1.00 O ATOM 0 H GLU A 89 118.083 -7.695 4.333 1.00 1.00 H new ATOM 0 HA GLU A 89 116.586 -6.857 2.157 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.222 -8.927 3.568 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.605 -7.917 4.861 1.00 1.00 H new ATOM 0 HG2 GLU A 89 113.788 -7.078 3.361 1.00 1.00 H new ATOM 0 HG3 GLU A 89 114.418 -8.041 2.039 1.00 1.00 H new ATOM 1417 N GLU A 90 115.942 -5.067 4.867 1.00 1.00 N ATOM 1418 CA GLU A 90 115.271 -3.844 5.302 1.00 1.00 C ATOM 1419 C GLU A 90 115.684 -2.629 4.467 1.00 1.00 C ATOM 1420 O GLU A 90 114.847 -1.790 4.130 1.00 1.00 O ATOM 1421 CB GLU A 90 115.589 -3.595 6.780 1.00 1.00 C ATOM 1422 CG GLU A 90 114.932 -4.693 7.626 1.00 1.00 C ATOM 1423 CD GLU A 90 115.280 -4.508 9.098 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.873 -3.494 9.425 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.950 -5.387 9.878 1.00 1.00 O ATOM 0 H GLU A 90 116.486 -5.537 5.590 1.00 1.00 H new ATOM 0 HA GLU A 90 114.199 -3.980 5.163 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.668 -3.593 6.938 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.221 -2.615 7.084 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.850 -4.664 7.495 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.268 -5.673 7.286 1.00 1.00 H new ATOM 1432 N GLN A 91 116.963 -2.540 4.134 1.00 1.00 N ATOM 1433 CA GLN A 91 117.450 -1.414 3.338 1.00 1.00 C ATOM 1434 C GLN A 91 116.924 -1.506 1.914 1.00 1.00 C ATOM 1435 O GLN A 91 116.578 -0.488 1.311 1.00 1.00 O ATOM 1436 CB GLN A 91 118.983 -1.390 3.328 1.00 1.00 C ATOM 1437 CG GLN A 91 119.477 -0.174 2.534 1.00 1.00 C ATOM 1438 CD GLN A 91 120.982 0.007 2.727 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.557 -0.535 3.671 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.658 0.740 1.881 1.00 1.00 N ATOM 0 H GLN A 91 117.676 -3.221 4.396 1.00 1.00 H new ATOM 0 HA GLN A 91 117.086 -0.491 3.790 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.362 -1.348 4.349 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.368 -2.308 2.883 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.252 -0.306 1.476 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.951 0.722 2.862 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.180 1.188 1.099 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.663 0.863 2.003 1.00 1.00 H new ATOM 1449 N ARG A 92 116.859 -2.716 1.377 1.00 1.00 N ATOM 1450 CA ARG A 92 116.367 -2.907 0.019 1.00 1.00 C ATOM 1451 C ARG A 92 114.899 -2.507 -0.080 1.00 1.00 C ATOM 1452 O ARG A 92 114.492 -1.845 -1.035 1.00 1.00 O ATOM 1453 CB ARG A 92 116.518 -4.373 -0.387 1.00 1.00 C ATOM 1454 CG ARG A 92 118.000 -4.703 -0.581 1.00 1.00 C ATOM 1455 CD ARG A 92 118.153 -6.196 -0.877 1.00 1.00 C ATOM 1456 NE ARG A 92 117.424 -6.544 -2.090 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.975 -6.413 -3.293 1.00 1.00 C ATOM 1458 NH1 ARG A 92 119.194 -5.961 -3.413 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.292 -6.735 -4.358 1.00 1.00 N ATOM 0 H ARG A 92 117.138 -3.573 1.855 1.00 1.00 H new ATOM 0 HA ARG A 92 116.953 -2.277 -0.651 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.089 -5.019 0.379 1.00 1.00 H new ATOM 0 HB3 ARG A 92 115.969 -4.564 -1.309 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.411 -4.114 -1.401 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.563 -4.439 0.314 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.208 -6.445 -0.993 1.00 1.00 H new ATOM 0 HD3 ARG A 92 117.778 -6.781 -0.038 1.00 1.00 H new ATOM 0 HE ARG A 92 116.470 -6.896 -2.014 1.00 1.00 H new ATOM 0 HH11 ARG A 92 119.728 -5.707 -2.582 1.00 1.00 H new ATOM 0 HH12 ARG A 92 119.613 -5.862 -4.338 1.00 1.00 H new ATOM 0 HH21 ARG A 92 116.339 -7.086 -4.266 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.712 -6.636 -5.282 1.00 1.00 H new ATOM 1473 N GLN A 93 114.106 -2.903 0.912 1.00 1.00 N ATOM 1474 CA GLN A 93 112.684 -2.577 0.927 1.00 1.00 C ATOM 1475 C GLN A 93 112.476 -1.073 0.989 1.00 1.00 C ATOM 1476 O GLN A 93 111.676 -0.510 0.242 1.00 1.00 O ATOM 1477 CB GLN A 93 112.037 -3.210 2.157 1.00 1.00 C ATOM 1478 CG GLN A 93 112.059 -4.725 2.016 1.00 1.00 C ATOM 1479 CD GLN A 93 111.449 -5.370 3.253 1.00 1.00 C ATOM 1480 OE1 GLN A 93 111.699 -4.930 4.377 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.663 -6.397 3.112 1.00 1.00 N ATOM 0 H GLN A 93 114.423 -3.448 1.713 1.00 1.00 H new ATOM 0 HA GLN A 93 112.231 -2.962 0.013 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.572 -2.910 3.058 1.00 1.00 H new ATOM 0 HB3 GLN A 93 111.011 -2.858 2.263 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.503 -5.024 1.128 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.084 -5.072 1.882 1.00 1.00 H new ATOM 0 HE21 GLN A 93 110.458 -6.758 2.180 1.00 1.00 H new ATOM 0 HE22 GLN A 93 110.251 -6.841 3.933 1.00 1.00 H new ATOM 1490 N LYS A 94 113.199 -0.430 1.894 1.00 1.00 N ATOM 1491 CA LYS A 94 113.100 1.008 2.071 1.00 1.00 C ATOM 1492 C LYS A 94 113.493 1.745 0.795 1.00 1.00 C ATOM 1493 O LYS A 94 112.798 2.658 0.353 1.00 1.00 O ATOM 1494 CB LYS A 94 114.036 1.402 3.209 1.00 1.00 C ATOM 1495 CG LYS A 94 114.012 2.907 3.438 1.00 1.00 C ATOM 1496 CD LYS A 94 114.995 3.233 4.550 1.00 1.00 C ATOM 1497 CE LYS A 94 115.040 4.737 4.741 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.035 5.068 5.798 1.00 1.00 N ATOM 0 H LYS A 94 113.863 -0.886 2.519 1.00 1.00 H new ATOM 0 HA LYS A 94 112.071 1.280 2.304 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.740 0.887 4.123 1.00 1.00 H new ATOM 0 HB3 LYS A 94 115.052 1.082 2.977 1.00 1.00 H new ATOM 0 HG2 LYS A 94 114.283 3.435 2.524 1.00 1.00 H new ATOM 0 HG3 LYS A 94 113.008 3.234 3.710 1.00 1.00 H new ATOM 0 HD2 LYS A 94 114.692 2.744 5.476 1.00 1.00 H new ATOM 0 HD3 LYS A 94 115.986 2.855 4.300 1.00 1.00 H new ATOM 0 HE2 LYS A 94 115.310 5.226 3.805 1.00 1.00 H new ATOM 0 HE3 LYS A 94 114.055 5.109 5.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 115.657 5.822 6.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 116.226 4.222 6.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 116.918 5.392 5.354 1.00 1.00 H new ATOM 1512 N ASN A 95 114.624 1.355 0.223 1.00 1.00 N ATOM 1513 CA ASN A 95 115.110 2.004 -0.984 1.00 1.00 C ATOM 1514 C ASN A 95 114.075 1.888 -2.097 1.00 1.00 C ATOM 1515 O ASN A 95 113.847 2.847 -2.833 1.00 1.00 O ATOM 1516 CB ASN A 95 116.428 1.363 -1.430 1.00 1.00 C ATOM 1517 CG ASN A 95 117.567 1.813 -0.520 1.00 1.00 C ATOM 1518 OD1 ASN A 95 117.421 2.781 0.230 1.00 1.00 O ATOM 1519 ND2 ASN A 95 118.701 1.168 -0.545 1.00 1.00 N ATOM 0 H ASN A 95 115.216 0.601 0.571 1.00 1.00 H new ATOM 0 HA ASN A 95 115.281 3.059 -0.770 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.340 0.277 -1.404 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.645 1.641 -2.461 1.00 1.00 H new ATOM 0 HD21 ASN A 95 119.469 1.464 0.057 1.00 1.00 H new ATOM 0 HD22 ASN A 95 118.819 0.368 -1.166 1.00 1.00 H new ATOM 1526 N GLN A 96 113.430 0.730 -2.214 1.00 1.00 N ATOM 1527 CA GLN A 96 112.415 0.541 -3.239 1.00 1.00 C ATOM 1528 C GLN A 96 111.215 1.436 -2.970 1.00 1.00 C ATOM 1529 O GLN A 96 110.631 2.000 -3.894 1.00 1.00 O ATOM 1530 CB GLN A 96 111.963 -0.923 -3.273 1.00 1.00 C ATOM 1531 CG GLN A 96 113.002 -1.783 -3.999 1.00 1.00 C ATOM 1532 CD GLN A 96 113.001 -1.458 -5.491 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.954 -1.142 -6.055 1.00 1.00 O ATOM 1534 NE2 GLN A 96 114.113 -1.534 -6.168 1.00 1.00 N ATOM 0 H GLN A 96 113.592 -0.082 -1.618 1.00 1.00 H new ATOM 0 HA GLN A 96 112.848 0.807 -4.203 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.822 -1.291 -2.257 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.000 -1.002 -3.777 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.992 -1.602 -3.580 1.00 1.00 H new ATOM 0 HG3 GLN A 96 112.780 -2.840 -3.849 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.979 -1.796 -5.698 1.00 1.00 H new ATOM 0 HE22 GLN A 96 114.116 -1.331 -7.168 1.00 1.00 H new ATOM 1543 N GLU A 97 110.847 1.563 -1.699 1.00 1.00 N ATOM 1544 CA GLU A 97 109.709 2.390 -1.332 1.00 1.00 C ATOM 1545 C GLU A 97 109.948 3.843 -1.733 1.00 1.00 C ATOM 1546 O GLU A 97 109.079 4.492 -2.309 1.00 1.00 O ATOM 1547 CB GLU A 97 109.472 2.308 0.179 1.00 1.00 C ATOM 1548 CG GLU A 97 108.184 3.054 0.543 1.00 1.00 C ATOM 1549 CD GLU A 97 107.893 2.907 2.034 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.494 2.044 2.652 1.00 1.00 O ATOM 1551 OE2 GLU A 97 107.072 3.657 2.536 1.00 1.00 O ATOM 0 H GLU A 97 111.316 1.108 -0.916 1.00 1.00 H new ATOM 0 HA GLU A 97 108.830 2.021 -1.860 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.399 1.266 0.489 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.318 2.741 0.713 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.281 4.109 0.286 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.350 2.660 -0.038 1.00 1.00 H new ATOM 1558 N LEU A 98 111.146 4.338 -1.436 1.00 1.00 N ATOM 1559 CA LEU A 98 111.518 5.709 -1.777 1.00 1.00 C ATOM 1560 C LEU A 98 111.558 5.911 -3.285 1.00 1.00 C ATOM 1561 O LEU A 98 111.135 6.944 -3.798 1.00 1.00 O ATOM 1562 CB LEU A 98 112.895 6.043 -1.198 1.00 1.00 C ATOM 1563 CG LEU A 98 112.777 6.610 0.225 1.00 1.00 C ATOM 1564 CD1 LEU A 98 111.780 5.799 1.058 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.153 6.551 0.894 1.00 1.00 C ATOM 0 H LEU A 98 111.877 3.810 -0.959 1.00 1.00 H new ATOM 0 HA LEU A 98 110.763 6.370 -1.351 1.00 1.00 H new ATOM 0 HB2 LEU A 98 113.514 5.146 -1.185 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.397 6.767 -1.840 1.00 1.00 H new ATOM 0 HG LEU A 98 112.421 7.638 0.165 1.00 1.00 H new ATOM 0 HD11 LEU A 98 111.715 6.221 2.061 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.798 5.834 0.586 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.116 4.764 1.121 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.083 6.951 1.906 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.493 5.516 0.936 1.00 1.00 H new ATOM 0 HD23 LEU A 98 114.863 7.144 0.318 1.00 1.00 H new ATOM 1577 N LYS A 99 112.065 4.915 -3.989 1.00 1.00 N ATOM 1578 CA LYS A 99 112.151 4.996 -5.431 1.00 1.00 C ATOM 1579 C LYS A 99 110.762 5.154 -6.008 1.00 1.00 C ATOM 1580 O LYS A 99 110.552 5.925 -6.943 1.00 1.00 O ATOM 1581 CB LYS A 99 112.803 3.726 -5.983 1.00 1.00 C ATOM 1582 CG LYS A 99 113.004 3.857 -7.495 1.00 1.00 C ATOM 1583 CD LYS A 99 113.672 2.586 -8.024 1.00 1.00 C ATOM 1584 CE LYS A 99 113.904 2.708 -9.530 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.509 1.442 -10.037 1.00 1.00 N ATOM 0 H LYS A 99 112.420 4.048 -3.587 1.00 1.00 H new ATOM 0 HA LYS A 99 112.759 5.856 -5.711 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.762 3.557 -5.493 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.177 2.861 -5.764 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.045 4.011 -7.990 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.622 4.727 -7.718 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.621 2.424 -7.513 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.044 1.720 -7.813 1.00 1.00 H new ATOM 0 HE2 LYS A 99 112.961 2.905 -10.041 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.563 3.550 -9.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.669 1.520 -11.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.416 1.274 -9.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.864 0.649 -9.847 1.00 1.00 H new ATOM 1599 N ALA A 100 109.807 4.431 -5.442 1.00 1.00 N ATOM 1600 CA ALA A 100 108.440 4.512 -5.902 1.00 1.00 C ATOM 1601 C ALA A 100 107.747 5.765 -5.377 1.00 1.00 C ATOM 1602 O ALA A 100 106.954 6.388 -6.082 1.00 1.00 O ATOM 1603 CB ALA A 100 107.675 3.293 -5.426 1.00 1.00 C ATOM 0 H ALA A 100 109.958 3.786 -4.667 1.00 1.00 H new ATOM 0 HA ALA A 100 108.454 4.555 -6.991 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.643 3.353 -5.772 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.140 2.392 -5.826 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.690 3.256 -4.337 1.00 1.00 H new ATOM 1609 N GLN A 101 108.019 6.117 -4.121 1.00 1.00 N ATOM 1610 CA GLN A 101 107.380 7.263 -3.514 1.00 1.00 C ATOM 1611 C GLN A 101 107.781 8.553 -4.198 1.00 1.00 C ATOM 1612 O GLN A 101 106.963 9.459 -4.363 1.00 1.00 O ATOM 1613 CB GLN A 101 107.692 7.309 -2.020 1.00 1.00 C ATOM 1614 CG GLN A 101 107.091 8.575 -1.421 1.00 1.00 C ATOM 1615 CD GLN A 101 107.180 8.536 0.098 1.00 1.00 C ATOM 1616 OE1 GLN A 101 107.418 7.479 0.682 1.00 1.00 O ATOM 1617 NE2 GLN A 101 106.997 9.635 0.778 1.00 1.00 N ATOM 0 H GLN A 101 108.674 5.623 -3.515 1.00 1.00 H new ATOM 0 HA GLN A 101 106.303 7.157 -3.640 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.284 6.428 -1.524 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.770 7.293 -1.861 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.618 9.450 -1.800 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.050 8.672 -1.728 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.800 10.509 0.291 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.051 9.620 1.796 1.00 1.00 H new ATOM 1626 N TYR A 102 109.054 8.654 -4.555 1.00 1.00 N ATOM 1627 CA TYR A 102 109.574 9.855 -5.173 1.00 1.00 C ATOM 1628 C TYR A 102 109.415 9.798 -6.688 1.00 1.00 C ATOM 1629 O TYR A 102 109.890 10.666 -7.420 1.00 1.00 O ATOM 1630 CB TYR A 102 111.051 10.028 -4.775 1.00 1.00 C ATOM 1631 CG TYR A 102 111.119 10.543 -3.346 1.00 1.00 C ATOM 1632 CD1 TYR A 102 110.738 9.709 -2.282 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.526 11.860 -3.079 1.00 1.00 C ATOM 1634 CE1 TYR A 102 110.771 10.184 -0.969 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.547 12.330 -1.763 1.00 1.00 C ATOM 1636 CZ TYR A 102 111.171 11.494 -0.711 1.00 1.00 C ATOM 1637 OH TYR A 102 111.190 11.969 0.581 1.00 1.00 O ATOM 0 H TYR A 102 109.743 7.914 -4.425 1.00 1.00 H new ATOM 0 HA TYR A 102 109.008 10.717 -4.821 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.578 9.077 -4.859 1.00 1.00 H new ATOM 0 HB3 TYR A 102 111.544 10.726 -5.451 1.00 1.00 H new ATOM 0 HD1 TYR A 102 110.418 8.697 -2.480 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.822 12.509 -3.890 1.00 1.00 H new ATOM 0 HE1 TYR A 102 110.486 9.536 -0.153 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.856 13.345 -1.559 1.00 1.00 H new ATOM 0 HH TYR A 102 110.456 12.607 0.706 1.00 1.00 H new ATOM 1647 N LYS A 103 108.703 8.754 -7.133 1.00 1.00 N ATOM 1648 CA LYS A 103 108.436 8.576 -8.554 1.00 1.00 C ATOM 1649 C LYS A 103 109.730 8.687 -9.336 1.00 1.00 C ATOM 1650 O LYS A 103 109.795 9.384 -10.349 1.00 1.00 O ATOM 1651 CB LYS A 103 107.447 9.640 -9.034 1.00 1.00 C ATOM 1652 CG LYS A 103 106.058 9.371 -8.442 1.00 1.00 C ATOM 1653 CD LYS A 103 105.099 10.468 -8.906 1.00 1.00 C ATOM 1654 CE LYS A 103 103.693 10.205 -8.363 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.764 11.245 -8.888 1.00 1.00 N ATOM 0 H LYS A 103 108.308 8.031 -6.532 1.00 1.00 H new ATOM 0 HA LYS A 103 108.003 7.589 -8.716 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.793 10.630 -8.736 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.395 9.635 -10.123 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.695 8.394 -8.761 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.110 9.352 -7.353 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.453 11.440 -8.563 1.00 1.00 H new ATOM 0 HD3 LYS A 103 105.075 10.504 -9.995 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.354 9.213 -8.662 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.701 10.224 -7.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.806 11.071 -8.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.087 12.185 -8.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.750 11.205 -9.927 1.00 1.00 H new ATOM 1669 N VAL A 104 110.761 8.010 -8.864 1.00 1.00 N ATOM 1670 CA VAL A 104 112.042 8.066 -9.541 1.00 1.00 C ATOM 1671 C VAL A 104 112.127 6.977 -10.602 1.00 1.00 C ATOM 1672 O VAL A 104 111.941 5.796 -10.307 1.00 1.00 O ATOM 1673 CB VAL A 104 113.179 7.912 -8.533 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.514 7.929 -9.274 1.00 1.00 C ATOM 1675 CG2 VAL A 104 113.132 9.075 -7.542 1.00 1.00 C ATOM 0 H VAL A 104 110.738 7.425 -8.029 1.00 1.00 H new ATOM 0 HA VAL A 104 112.136 9.036 -10.029 1.00 1.00 H new ATOM 0 HB VAL A 104 113.072 6.969 -7.996 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.329 7.819 -8.558 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.545 7.106 -9.988 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.623 8.874 -9.806 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.942 8.970 -6.820 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.245 10.016 -8.080 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.176 9.069 -7.019 1.00 1.00 H new ATOM 1685 N THR A 105 112.395 7.386 -11.843 1.00 1.00 N ATOM 1686 CA THR A 105 112.487 6.452 -12.950 1.00 1.00 C ATOM 1687 C THR A 105 113.877 6.484 -13.570 1.00 1.00 C ATOM 1688 O THR A 105 114.489 5.443 -13.816 1.00 1.00 O ATOM 1689 CB THR A 105 111.438 6.802 -14.004 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.386 8.212 -14.170 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.066 6.286 -13.559 1.00 1.00 C ATOM 0 H THR A 105 112.551 8.361 -12.100 1.00 1.00 H new ATOM 0 HA THR A 105 112.303 5.446 -12.573 1.00 1.00 H new ATOM 0 HB THR A 105 111.707 6.334 -14.951 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.714 8.437 -14.847 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.320 6.538 -14.313 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.107 5.204 -13.436 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.793 6.749 -12.611 1.00 1.00 H new ATOM 1699 N GLY A 106 114.357 7.697 -13.839 1.00 1.00 N ATOM 1700 CA GLY A 106 115.667 7.880 -14.456 1.00 1.00 C ATOM 1701 C GLY A 106 116.709 8.391 -13.462 1.00 1.00 C ATOM 1702 O GLY A 106 116.401 9.153 -12.545 1.00 1.00 O ATOM 0 H GLY A 106 113.859 8.565 -13.640 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.004 6.933 -14.877 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.581 8.584 -15.284 1.00 1.00 H new ATOM 1706 N PHE A 107 117.949 7.974 -13.680 1.00 1.00 N ATOM 1707 CA PHE A 107 119.066 8.387 -12.837 1.00 1.00 C ATOM 1708 C PHE A 107 120.191 8.951 -13.716 1.00 1.00 C ATOM 1709 O PHE A 107 120.293 8.595 -14.890 1.00 1.00 O ATOM 1710 CB PHE A 107 119.589 7.190 -12.045 1.00 1.00 C ATOM 1711 CG PHE A 107 118.828 5.951 -12.452 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.025 5.395 -13.720 1.00 1.00 C ATOM 1713 CD2 PHE A 107 117.922 5.362 -11.562 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.314 4.250 -14.101 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.214 4.216 -11.941 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.410 3.661 -13.211 1.00 1.00 C ATOM 0 H PHE A 107 118.209 7.345 -14.440 1.00 1.00 H new ATOM 0 HA PHE A 107 118.726 9.155 -12.143 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.654 7.054 -12.231 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.472 7.368 -10.976 1.00 1.00 H new ATOM 0 HD1 PHE A 107 119.725 5.849 -14.406 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.770 5.792 -10.583 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.464 3.822 -15.081 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.517 3.760 -11.254 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.863 2.777 -13.504 1.00 1.00 H new ATOM 1726 N PRO A 108 121.036 9.806 -13.187 1.00 1.00 N ATOM 1727 CA PRO A 108 120.967 10.277 -11.773 1.00 1.00 C ATOM 1728 C PRO A 108 119.923 11.359 -11.569 1.00 1.00 C ATOM 1729 O PRO A 108 119.749 12.231 -12.420 1.00 1.00 O ATOM 1730 CB PRO A 108 122.357 10.847 -11.535 1.00 1.00 C ATOM 1731 CG PRO A 108 122.758 11.389 -12.865 1.00 1.00 C ATOM 1732 CD PRO A 108 122.170 10.426 -13.898 1.00 1.00 C ATOM 0 HA PRO A 108 120.684 9.475 -11.091 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.343 11.627 -10.774 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.050 10.079 -11.192 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.374 12.399 -13.008 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.843 11.445 -12.954 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.842 10.951 -14.795 1.00 1.00 H new ATOM 0 HD3 PRO A 108 122.901 9.681 -14.214 1.00 1.00 H new ATOM 1740 N GLU A 109 119.249 11.319 -10.428 1.00 1.00 N ATOM 1741 CA GLU A 109 118.249 12.325 -10.128 1.00 1.00 C ATOM 1742 C GLU A 109 118.395 12.776 -8.683 1.00 1.00 C ATOM 1743 O GLU A 109 118.398 11.956 -7.765 1.00 1.00 O ATOM 1744 CB GLU A 109 116.843 11.766 -10.356 1.00 1.00 C ATOM 1745 CG GLU A 109 115.820 12.901 -10.261 1.00 1.00 C ATOM 1746 CD GLU A 109 115.973 13.840 -11.453 1.00 1.00 C ATOM 1747 OE1 GLU A 109 116.693 13.484 -12.372 1.00 1.00 O ATOM 1748 OE2 GLU A 109 115.360 14.894 -11.435 1.00 1.00 O ATOM 0 H GLU A 109 119.376 10.610 -9.706 1.00 1.00 H new ATOM 0 HA GLU A 109 118.398 13.177 -10.792 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.784 11.290 -11.335 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.621 10.999 -9.614 1.00 1.00 H new ATOM 0 HG2 GLU A 109 114.810 12.491 -10.237 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.962 13.453 -9.332 1.00 1.00 H new ATOM 1755 N LEU A 110 118.498 14.081 -8.484 1.00 1.00 N ATOM 1756 CA LEU A 110 118.623 14.649 -7.150 1.00 1.00 C ATOM 1757 C LEU A 110 117.348 15.415 -6.856 1.00 1.00 C ATOM 1758 O LEU A 110 116.970 16.310 -7.606 1.00 1.00 O ATOM 1759 CB LEU A 110 119.839 15.588 -7.111 1.00 1.00 C ATOM 1760 CG LEU A 110 120.646 15.433 -5.804 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.034 16.055 -5.987 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.945 16.150 -4.653 1.00 1.00 C ATOM 0 H LEU A 110 118.497 14.771 -9.235 1.00 1.00 H new ATOM 0 HA LEU A 110 118.769 13.870 -6.402 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.486 15.380 -7.963 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.504 16.620 -7.210 1.00 1.00 H new ATOM 0 HG LEU A 110 120.729 14.371 -5.573 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.606 15.947 -5.065 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.556 15.548 -6.799 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.930 17.113 -6.227 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.528 16.030 -3.740 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.852 17.210 -4.887 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.953 15.722 -4.508 1.00 1.00 H new ATOM 1774 N VAL A 111 116.675 15.021 -5.789 1.00 1.00 N ATOM 1775 CA VAL A 111 115.404 15.635 -5.420 1.00 1.00 C ATOM 1776 C VAL A 111 115.492 16.377 -4.099 1.00 1.00 C ATOM 1777 O VAL A 111 115.944 15.821 -3.099 1.00 1.00 O ATOM 1778 CB VAL A 111 114.343 14.543 -5.324 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.869 14.175 -6.731 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.966 13.324 -4.666 1.00 1.00 C ATOM 0 H VAL A 111 116.984 14.279 -5.161 1.00 1.00 H new ATOM 0 HA VAL A 111 115.141 16.364 -6.186 1.00 1.00 H new ATOM 0 HB VAL A 111 113.493 14.892 -4.737 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.111 13.395 -6.667 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.444 15.055 -7.214 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.714 13.812 -7.316 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.221 12.532 -4.589 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.806 12.975 -5.267 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.319 13.589 -3.669 1.00 1.00 H new ATOM 1790 N PHE A 112 115.060 17.627 -4.092 1.00 1.00 N ATOM 1791 CA PHE A 112 115.102 18.438 -2.886 1.00 1.00 C ATOM 1792 C PHE A 112 113.735 18.482 -2.233 1.00 1.00 C ATOM 1793 O PHE A 112 112.744 18.808 -2.887 1.00 1.00 O ATOM 1794 CB PHE A 112 115.567 19.846 -3.238 1.00 1.00 C ATOM 1795 CG PHE A 112 116.912 19.742 -3.901 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.062 19.565 -3.126 1.00 1.00 C ATOM 1797 CD2 PHE A 112 117.005 19.801 -5.293 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.311 19.445 -3.746 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.249 19.686 -5.916 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.405 19.506 -5.144 1.00 1.00 C ATOM 0 H PHE A 112 114.676 18.103 -4.908 1.00 1.00 H new ATOM 0 HA PHE A 112 115.804 17.995 -2.180 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.851 20.328 -3.904 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.632 20.461 -2.340 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.987 19.521 -2.050 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.114 19.936 -5.888 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.200 19.306 -3.149 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.321 19.736 -6.992 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.367 19.414 -5.625 1.00 1.00 H new ATOM 1810 N ILE A 113 113.682 18.142 -0.949 1.00 1.00 N ATOM 1811 CA ILE A 113 112.424 18.141 -0.227 1.00 1.00 C ATOM 1812 C ILE A 113 112.567 18.792 1.132 1.00 1.00 C ATOM 1813 O ILE A 113 113.660 18.888 1.687 1.00 1.00 O ATOM 1814 CB ILE A 113 111.877 16.712 -0.091 1.00 1.00 C ATOM 1815 CG1 ILE A 113 112.803 15.858 0.780 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.807 16.070 -1.476 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.097 14.550 1.142 1.00 1.00 C ATOM 0 H ILE A 113 114.492 17.866 -0.394 1.00 1.00 H new ATOM 0 HA ILE A 113 111.710 18.730 -0.803 1.00 1.00 H new ATOM 0 HB ILE A 113 110.890 16.763 0.369 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.730 15.648 0.247 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.072 16.402 1.686 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.419 15.055 -1.387 1.00 1.00 H new ATOM 0 HG22 ILE A 113 111.147 16.656 -2.116 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.805 16.040 -1.914 1.00 1.00 H new ATOM 0 HD11 ILE A 113 112.755 13.941 1.762 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.182 14.770 1.692 1.00 1.00 H new ATOM 0 HD13 ILE A 113 111.850 14.005 0.231 1.00 1.00 H new ATOM 1829 N ASP A 114 111.422 19.169 1.685 1.00 1.00 N ATOM 1830 CA ASP A 114 111.363 19.736 3.014 1.00 1.00 C ATOM 1831 C ASP A 114 111.162 18.597 4.001 1.00 1.00 C ATOM 1832 O ASP A 114 111.087 17.430 3.617 1.00 1.00 O ATOM 1833 CB ASP A 114 110.199 20.728 3.125 1.00 1.00 C ATOM 1834 CG ASP A 114 110.593 22.088 2.549 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.778 22.362 2.478 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.699 22.839 2.197 1.00 1.00 O ATOM 0 H ASP A 114 110.516 19.089 1.223 1.00 1.00 H new ATOM 0 HA ASP A 114 112.287 20.273 3.229 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.331 20.339 2.592 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.908 20.840 4.169 1.00 1.00 H new ATOM 1841 N ALA A 115 111.104 18.937 5.268 1.00 1.00 N ATOM 1842 CA ALA A 115 110.948 17.948 6.332 1.00 1.00 C ATOM 1843 C ALA A 115 109.568 17.286 6.309 1.00 1.00 C ATOM 1844 O ALA A 115 109.353 16.275 6.979 1.00 1.00 O ATOM 1845 CB ALA A 115 111.163 18.635 7.680 1.00 1.00 C ATOM 0 H ALA A 115 111.162 19.900 5.598 1.00 1.00 H new ATOM 0 HA ALA A 115 111.688 17.163 6.175 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.049 17.906 8.482 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.166 19.060 7.716 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.428 19.430 7.805 1.00 1.00 H new ATOM 1851 N GLU A 116 108.642 17.837 5.532 1.00 1.00 N ATOM 1852 CA GLU A 116 107.305 17.257 5.436 1.00 1.00 C ATOM 1853 C GLU A 116 107.203 16.380 4.192 1.00 1.00 C ATOM 1854 O GLU A 116 106.147 15.811 3.912 1.00 1.00 O ATOM 1855 CB GLU A 116 106.250 18.367 5.392 1.00 1.00 C ATOM 1856 CG GLU A 116 106.220 19.079 6.745 1.00 1.00 C ATOM 1857 CD GLU A 116 105.197 20.211 6.730 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.480 20.327 5.750 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.142 20.942 7.705 1.00 1.00 O ATOM 0 H GLU A 116 108.788 18.673 4.966 1.00 1.00 H new ATOM 0 HA GLU A 116 107.124 16.639 6.316 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.483 19.077 4.598 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.270 17.946 5.166 1.00 1.00 H new ATOM 0 HG2 GLU A 116 105.972 18.367 7.532 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.208 19.477 6.975 1.00 1.00 H new ATOM 1866 N GLY A 117 108.305 16.245 3.464 1.00 1.00 N ATOM 1867 CA GLY A 117 108.315 15.402 2.276 1.00 1.00 C ATOM 1868 C GLY A 117 107.824 16.151 1.047 1.00 1.00 C ATOM 1869 O GLY A 117 107.531 15.533 0.024 1.00 1.00 O ATOM 0 H GLY A 117 109.193 16.702 3.672 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.326 15.036 2.099 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.685 14.529 2.445 1.00 1.00 H new ATOM 1873 N LYS A 118 107.738 17.473 1.128 1.00 1.00 N ATOM 1874 CA LYS A 118 107.285 18.250 -0.019 1.00 1.00 C ATOM 1875 C LYS A 118 108.431 18.471 -0.978 1.00 1.00 C ATOM 1876 O LYS A 118 109.565 18.621 -0.559 1.00 1.00 O ATOM 1877 CB LYS A 118 106.724 19.593 0.421 1.00 1.00 C ATOM 1878 CG LYS A 118 105.374 19.377 1.087 1.00 1.00 C ATOM 1879 CD LYS A 118 104.824 20.725 1.551 1.00 1.00 C ATOM 1880 CE LYS A 118 103.493 20.528 2.277 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.963 21.857 2.689 1.00 1.00 N ATOM 0 H LYS A 118 107.970 18.020 1.957 1.00 1.00 H new ATOM 0 HA LYS A 118 106.494 17.689 -0.517 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.411 20.078 1.114 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.617 20.255 -0.438 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.681 18.908 0.388 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.477 18.701 1.936 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.540 21.210 2.214 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.686 21.384 0.694 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.780 20.024 1.625 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.632 19.891 3.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.057 21.731 3.184 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.643 22.320 3.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.818 22.449 1.847 1.00 1.00 H new ATOM 1895 N GLN A 119 108.123 18.464 -2.268 1.00 1.00 N ATOM 1896 CA GLN A 119 109.141 18.638 -3.288 1.00 1.00 C ATOM 1897 C GLN A 119 109.481 20.108 -3.520 1.00 1.00 C ATOM 1898 O GLN A 119 108.619 20.924 -3.849 1.00 1.00 O ATOM 1899 CB GLN A 119 108.656 17.980 -4.583 1.00 1.00 C ATOM 1900 CG GLN A 119 109.232 18.702 -5.796 1.00 1.00 C ATOM 1901 CD GLN A 119 109.021 17.852 -7.042 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.865 16.635 -6.942 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.003 18.418 -8.216 1.00 1.00 N ATOM 0 H GLN A 119 107.177 18.340 -2.630 1.00 1.00 H new ATOM 0 HA GLN A 119 110.060 18.160 -2.947 1.00 1.00 H new ATOM 0 HB2 GLN A 119 108.955 16.932 -4.600 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.567 18.001 -4.623 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.749 19.671 -5.918 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.295 18.892 -5.648 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.132 19.426 -8.298 1.00 1.00 H new ATOM 0 HE22 GLN A 119 108.860 17.852 -9.053 1.00 1.00 H new ATOM 1912 N LEU A 120 110.758 20.424 -3.330 1.00 1.00 N ATOM 1913 CA LEU A 120 111.265 21.778 -3.492 1.00 1.00 C ATOM 1914 C LEU A 120 111.792 21.991 -4.901 1.00 1.00 C ATOM 1915 O LEU A 120 111.603 23.048 -5.503 1.00 1.00 O ATOM 1916 CB LEU A 120 112.447 21.995 -2.536 1.00 1.00 C ATOM 1917 CG LEU A 120 112.004 22.568 -1.189 1.00 1.00 C ATOM 1918 CD1 LEU A 120 111.152 21.568 -0.425 1.00 1.00 C ATOM 1919 CD2 LEU A 120 113.247 22.894 -0.363 1.00 1.00 C ATOM 0 H LEU A 120 111.470 19.746 -3.059 1.00 1.00 H new ATOM 0 HA LEU A 120 110.447 22.469 -3.286 1.00 1.00 H new ATOM 0 HB2 LEU A 120 112.960 21.047 -2.374 1.00 1.00 H new ATOM 0 HB3 LEU A 120 113.166 22.672 -2.998 1.00 1.00 H new ATOM 0 HG LEU A 120 111.410 23.464 -1.367 1.00 1.00 H new ATOM 0 HD11 LEU A 120 110.851 22.001 0.529 1.00 1.00 H new ATOM 0 HD12 LEU A 120 110.265 21.324 -1.010 1.00 1.00 H new ATOM 0 HD13 LEU A 120 111.729 20.661 -0.246 1.00 1.00 H new ATOM 0 HD21 LEU A 120 112.946 23.304 0.601 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.828 21.985 -0.206 1.00 1.00 H new ATOM 0 HD23 LEU A 120 113.855 23.626 -0.894 1.00 1.00 H new ATOM 1931 N ALA A 121 112.471 20.966 -5.406 1.00 1.00 N ATOM 1932 CA ALA A 121 113.059 21.014 -6.737 1.00 1.00 C ATOM 1933 C ALA A 121 113.741 19.688 -7.064 1.00 1.00 C ATOM 1934 O ALA A 121 113.967 18.867 -6.177 1.00 1.00 O ATOM 1935 CB ALA A 121 114.096 22.134 -6.806 1.00 1.00 C ATOM 0 H ALA A 121 112.627 20.089 -4.910 1.00 1.00 H new ATOM 0 HA ALA A 121 112.264 21.200 -7.459 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.532 22.165 -7.804 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.616 23.088 -6.590 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.881 21.949 -6.073 1.00 1.00 H new ATOM 1941 N ARG A 122 114.085 19.488 -8.330 1.00 1.00 N ATOM 1942 CA ARG A 122 114.762 18.257 -8.728 1.00 1.00 C ATOM 1943 C ARG A 122 115.706 18.508 -9.903 1.00 1.00 C ATOM 1944 O ARG A 122 115.404 19.293 -10.800 1.00 1.00 O ATOM 1945 CB ARG A 122 113.733 17.178 -9.095 1.00 1.00 C ATOM 1946 CG ARG A 122 112.913 17.631 -10.308 1.00 1.00 C ATOM 1947 CD ARG A 122 111.872 16.565 -10.655 1.00 1.00 C ATOM 1948 NE ARG A 122 111.079 16.999 -11.799 1.00 1.00 N ATOM 1949 CZ ARG A 122 111.492 16.788 -13.044 1.00 1.00 C ATOM 1950 NH1 ARG A 122 112.630 16.193 -13.263 1.00 1.00 N ATOM 1951 NH2 ARG A 122 110.763 17.183 -14.050 1.00 1.00 N ATOM 0 H ARG A 122 113.911 20.148 -9.088 1.00 1.00 H new ATOM 0 HA ARG A 122 115.355 17.907 -7.883 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.241 16.240 -9.318 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.073 16.990 -8.248 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.419 18.578 -10.092 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.571 17.802 -11.160 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.367 15.621 -10.882 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.222 16.386 -9.798 1.00 1.00 H new ATOM 0 HE ARG A 122 110.190 17.474 -11.640 1.00 1.00 H new ATOM 0 HH11 ARG A 122 113.206 15.888 -12.478 1.00 1.00 H new ATOM 0 HH12 ARG A 122 112.945 16.032 -14.220 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.874 17.655 -13.882 1.00 1.00 H new ATOM 0 HH22 ARG A 122 111.081 17.020 -15.005 1.00 1.00 H new ATOM 1965 N MET A 123 116.844 17.809 -9.898 1.00 1.00 N ATOM 1966 CA MET A 123 117.814 17.942 -10.978 1.00 1.00 C ATOM 1967 C MET A 123 118.501 16.610 -11.273 1.00 1.00 C ATOM 1968 O MET A 123 118.523 15.709 -10.436 1.00 1.00 O ATOM 1969 CB MET A 123 118.894 18.963 -10.624 1.00 1.00 C ATOM 1970 CG MET A 123 118.271 20.340 -10.381 1.00 1.00 C ATOM 1971 SD MET A 123 119.572 21.598 -10.434 1.00 1.00 S ATOM 1972 CE MET A 123 120.152 21.396 -8.736 1.00 1.00 C ATOM 0 H MET A 123 117.111 17.153 -9.164 1.00 1.00 H new ATOM 0 HA MET A 123 117.261 18.274 -11.856 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.432 18.638 -9.733 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.623 19.025 -11.432 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.515 20.549 -11.138 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.768 20.360 -9.414 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.210 21.653 -8.680 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.583 22.052 -8.077 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.014 20.361 -8.425 1.00 1.00 H new ATOM 1982 N GLY A 124 119.058 16.508 -12.472 1.00 1.00 N ATOM 1983 CA GLY A 124 119.752 15.292 -12.888 1.00 1.00 C ATOM 1984 C GLY A 124 121.193 15.605 -13.262 1.00 1.00 C ATOM 1985 O GLY A 124 121.826 16.468 -12.655 1.00 1.00 O ATOM 0 H GLY A 124 119.044 17.249 -13.173 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.730 14.559 -12.081 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.238 14.845 -13.739 1.00 1.00 H new ATOM 1989 N PHE A 125 121.698 14.922 -14.281 1.00 1.00 N ATOM 1990 CA PHE A 125 123.053 15.166 -14.744 1.00 1.00 C ATOM 1991 C PHE A 125 123.035 16.386 -15.647 1.00 1.00 C ATOM 1992 O PHE A 125 122.242 16.457 -16.586 1.00 1.00 O ATOM 1993 CB PHE A 125 123.577 13.948 -15.514 1.00 1.00 C ATOM 1994 CG PHE A 125 124.933 14.255 -16.111 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.026 14.514 -15.274 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.100 14.276 -17.504 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.282 14.794 -15.827 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.357 14.555 -18.055 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.447 14.814 -17.218 1.00 1.00 C ATOM 0 H PHE A 125 121.193 14.201 -14.797 1.00 1.00 H new ATOM 0 HA PHE A 125 123.712 15.339 -13.893 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.651 13.090 -14.846 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.876 13.678 -16.304 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.900 14.498 -14.201 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.259 14.077 -18.152 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.124 14.995 -15.181 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.485 14.570 -19.127 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.416 15.029 -17.644 1.00 1.00 H new ATOM 2009 N GLU A 126 123.893 17.354 -15.364 1.00 1.00 N ATOM 2010 CA GLU A 126 123.942 18.570 -16.156 1.00 1.00 C ATOM 2011 C GLU A 126 125.384 19.072 -16.248 1.00 1.00 C ATOM 2012 O GLU A 126 125.963 19.442 -15.226 1.00 1.00 O ATOM 2013 CB GLU A 126 123.084 19.649 -15.488 1.00 1.00 C ATOM 2014 CG GLU A 126 122.228 20.357 -16.541 1.00 1.00 C ATOM 2015 CD GLU A 126 121.106 19.436 -17.011 1.00 1.00 C ATOM 2016 OE1 GLU A 126 120.699 18.587 -16.236 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.668 19.595 -18.140 1.00 1.00 O ATOM 0 H GLU A 126 124.562 17.320 -14.595 1.00 1.00 H new ATOM 0 HA GLU A 126 123.563 18.358 -17.156 1.00 1.00 H new ATOM 0 HB2 GLU A 126 122.444 19.199 -14.729 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.723 20.371 -14.980 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.807 21.272 -16.124 1.00 1.00 H new ATOM 0 HG3 GLU A 126 122.848 20.649 -17.388 1.00 1.00 H new ATOM 2024 N PRO A 127 125.987 19.122 -17.414 1.00 1.00 N ATOM 2025 CA PRO A 127 127.378 19.625 -17.525 1.00 1.00 C ATOM 2026 C PRO A 127 127.503 21.031 -16.951 1.00 1.00 C ATOM 2027 O PRO A 127 126.510 21.741 -16.791 1.00 1.00 O ATOM 2028 CB PRO A 127 127.685 19.625 -19.024 1.00 1.00 C ATOM 2029 CG PRO A 127 126.638 18.783 -19.675 1.00 1.00 C ATOM 2030 CD PRO A 127 125.445 18.709 -18.721 1.00 1.00 C ATOM 0 HA PRO A 127 128.075 19.004 -16.963 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.669 20.639 -19.423 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.680 19.223 -19.216 1.00 1.00 H new ATOM 0 HG2 PRO A 127 126.338 19.215 -20.630 1.00 1.00 H new ATOM 0 HG3 PRO A 127 127.024 17.785 -19.884 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.639 19.369 -19.042 1.00 1.00 H new ATOM 0 HD3 PRO A 127 125.033 17.701 -18.679 1.00 1.00 H new ATOM 2038 N GLY A 128 128.731 21.409 -16.634 1.00 1.00 N ATOM 2039 CA GLY A 128 128.981 22.725 -16.060 1.00 1.00 C ATOM 2040 C GLY A 128 129.811 22.613 -14.803 1.00 1.00 C ATOM 2041 O GLY A 128 130.478 23.577 -14.426 1.00 1.00 O ATOM 0 H GLY A 128 129.563 20.832 -16.762 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.497 23.352 -16.787 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.034 23.214 -15.833 1.00 1.00 H new ATOM 2045 N GLY A 129 129.809 21.462 -14.150 1.00 1.00 N ATOM 2046 CA GLY A 129 130.609 21.303 -12.959 1.00 1.00 C ATOM 2047 C GLY A 129 129.845 21.635 -11.678 1.00 1.00 C ATOM 2048 O GLY A 129 128.652 21.943 -11.700 1.00 1.00 O ATOM 0 H GLY A 129 129.270 20.640 -14.423 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.970 20.276 -12.905 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.487 21.946 -13.029 1.00 1.00 H new ATOM 2052 N GLY A 130 130.542 21.488 -10.561 1.00 1.00 N ATOM 2053 CA GLY A 130 129.926 21.689 -9.254 1.00 1.00 C ATOM 2054 C GLY A 130 129.497 23.124 -8.978 1.00 1.00 C ATOM 2055 O GLY A 130 128.420 23.346 -8.429 1.00 1.00 O ATOM 0 H GLY A 130 131.529 21.232 -10.531 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.055 21.039 -9.172 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.629 21.377 -8.482 1.00 1.00 H new ATOM 2059 N ALA A 131 130.323 24.096 -9.346 1.00 1.00 N ATOM 2060 CA ALA A 131 129.990 25.492 -9.110 1.00 1.00 C ATOM 2061 C ALA A 131 128.683 25.843 -9.804 1.00 1.00 C ATOM 2062 O ALA A 131 127.795 26.464 -9.219 1.00 1.00 O ATOM 2063 CB ALA A 131 131.099 26.375 -9.677 1.00 1.00 C ATOM 0 H ALA A 131 131.221 23.944 -9.805 1.00 1.00 H new ATOM 0 HA ALA A 131 129.886 25.655 -8.037 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.855 27.423 -9.503 1.00 1.00 H new ATOM 0 HB2 ALA A 131 132.042 26.136 -9.185 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.193 26.198 -10.748 1.00 1.00 H new ATOM 2069 N ALA A 132 128.580 25.476 -11.065 1.00 1.00 N ATOM 2070 CA ALA A 132 127.391 25.783 -11.831 1.00 1.00 C ATOM 2071 C ALA A 132 126.149 25.077 -11.272 1.00 1.00 C ATOM 2072 O ALA A 132 125.057 25.648 -11.256 1.00 1.00 O ATOM 2073 CB ALA A 132 127.614 25.369 -13.281 1.00 1.00 C ATOM 0 H ALA A 132 129.301 24.968 -11.578 1.00 1.00 H new ATOM 0 HA ALA A 132 127.211 26.856 -11.766 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.723 25.597 -13.866 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.465 25.915 -13.689 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.814 24.299 -13.327 1.00 1.00 H new ATOM 2079 N TYR A 133 126.313 23.834 -10.831 1.00 1.00 N ATOM 2080 CA TYR A 133 125.198 23.054 -10.298 1.00 1.00 C ATOM 2081 C TYR A 133 124.618 23.691 -9.042 1.00 1.00 C ATOM 2082 O TYR A 133 123.399 23.743 -8.872 1.00 1.00 O ATOM 2083 CB TYR A 133 125.675 21.643 -9.967 1.00 1.00 C ATOM 2084 CG TYR A 133 124.515 20.821 -9.467 1.00 1.00 C ATOM 2085 CD1 TYR A 133 124.198 20.805 -8.105 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.759 20.064 -10.371 1.00 1.00 C ATOM 2087 CE1 TYR A 133 123.125 20.032 -7.645 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.688 19.293 -9.912 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.370 19.277 -8.551 1.00 1.00 C ATOM 2090 OH TYR A 133 121.315 18.511 -8.101 1.00 1.00 O ATOM 0 H TYR A 133 127.207 23.344 -10.832 1.00 1.00 H new ATOM 0 HA TYR A 133 124.418 23.023 -11.058 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.108 21.178 -10.852 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.459 21.681 -9.211 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.781 21.389 -7.408 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.004 20.076 -11.423 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.880 20.018 -6.593 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.106 18.709 -10.609 1.00 1.00 H new ATOM 0 HH TYR A 133 121.395 17.602 -8.459 1.00 1.00 H new ATOM 2100 N VAL A 134 125.488 24.154 -8.154 1.00 1.00 N ATOM 2101 CA VAL A 134 125.014 24.755 -6.925 1.00 1.00 C ATOM 2102 C VAL A 134 124.253 26.046 -7.206 1.00 1.00 C ATOM 2103 O VAL A 134 123.294 26.365 -6.525 1.00 1.00 O ATOM 2104 CB VAL A 134 126.160 24.991 -5.950 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.763 23.651 -5.541 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.234 25.851 -6.585 1.00 1.00 C ATOM 0 H VAL A 134 126.502 24.125 -8.261 1.00 1.00 H new ATOM 0 HA VAL A 134 124.322 24.056 -6.456 1.00 1.00 H new ATOM 0 HB VAL A 134 125.770 25.508 -5.073 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.583 23.819 -4.843 1.00 1.00 H new ATOM 0 HG12 VAL A 134 125.999 23.039 -5.062 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.139 23.136 -6.425 1.00 1.00 H new ATOM 0 HG21 VAL A 134 128.043 26.008 -5.872 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.623 25.351 -7.472 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.809 26.814 -6.869 1.00 1.00 H new ATOM 2116 N SER A 135 124.669 26.808 -8.198 1.00 1.00 N ATOM 2117 CA SER A 135 123.964 28.042 -8.499 1.00 1.00 C ATOM 2118 C SER A 135 122.506 27.726 -8.848 1.00 1.00 C ATOM 2119 O SER A 135 121.584 28.436 -8.448 1.00 1.00 O ATOM 2120 CB SER A 135 124.636 28.754 -9.674 1.00 1.00 C ATOM 2121 OG SER A 135 123.774 29.774 -10.162 1.00 1.00 O ATOM 0 H SER A 135 125.470 26.604 -8.796 1.00 1.00 H new ATOM 0 HA SER A 135 123.994 28.695 -7.627 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.586 29.185 -9.357 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.859 28.040 -10.467 1.00 1.00 H new ATOM 0 HG SER A 135 124.203 30.233 -10.914 1.00 1.00 H new ATOM 2127 N LYS A 136 122.326 26.663 -9.629 1.00 1.00 N ATOM 2128 CA LYS A 136 120.991 26.249 -10.077 1.00 1.00 C ATOM 2129 C LYS A 136 120.090 25.804 -8.922 1.00 1.00 C ATOM 2130 O LYS A 136 118.905 26.137 -8.888 1.00 1.00 O ATOM 2131 CB LYS A 136 121.122 25.106 -11.080 1.00 1.00 C ATOM 2132 CG LYS A 136 121.779 25.640 -12.350 1.00 1.00 C ATOM 2133 CD LYS A 136 121.926 24.514 -13.369 1.00 1.00 C ATOM 2134 CE LYS A 136 122.555 25.074 -14.645 1.00 1.00 C ATOM 2135 NZ LYS A 136 123.946 25.527 -14.351 1.00 1.00 N ATOM 0 H LYS A 136 123.085 26.071 -9.966 1.00 1.00 H new ATOM 0 HA LYS A 136 120.524 27.119 -10.539 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.720 24.299 -10.657 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.141 24.690 -11.309 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.178 26.446 -12.770 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.757 26.060 -12.115 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.548 23.717 -12.962 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.952 24.077 -13.590 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.565 24.312 -15.424 1.00 1.00 H new ATOM 0 HE3 LYS A 136 121.961 25.907 -15.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 124.595 25.140 -15.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 123.985 26.566 -14.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 124.229 25.191 -13.408 1.00 1.00 H new ATOM 2149 N VAL A 137 120.649 25.047 -7.988 1.00 1.00 N ATOM 2150 CA VAL A 137 119.858 24.570 -6.864 1.00 1.00 C ATOM 2151 C VAL A 137 119.406 25.751 -6.011 1.00 1.00 C ATOM 2152 O VAL A 137 118.283 25.776 -5.508 1.00 1.00 O ATOM 2153 CB VAL A 137 120.658 23.536 -6.049 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.603 24.230 -5.104 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.710 22.657 -5.232 1.00 1.00 C ATOM 0 H VAL A 137 121.626 24.755 -7.985 1.00 1.00 H new ATOM 0 HA VAL A 137 118.964 24.067 -7.232 1.00 1.00 H new ATOM 0 HB VAL A 137 121.223 22.920 -6.748 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.161 23.486 -4.535 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.298 24.848 -5.673 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.035 24.859 -4.419 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.289 21.931 -4.661 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.134 23.281 -4.548 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.031 22.132 -5.904 1.00 1.00 H new ATOM 2165 N LYS A 138 120.296 26.728 -5.852 1.00 1.00 N ATOM 2166 CA LYS A 138 119.997 27.909 -5.056 1.00 1.00 C ATOM 2167 C LYS A 138 118.783 28.646 -5.614 1.00 1.00 C ATOM 2168 O LYS A 138 117.899 29.058 -4.860 1.00 1.00 O ATOM 2169 CB LYS A 138 121.204 28.857 -5.057 1.00 1.00 C ATOM 2170 CG LYS A 138 122.322 28.294 -4.175 1.00 1.00 C ATOM 2171 CD LYS A 138 123.559 29.193 -4.287 1.00 1.00 C ATOM 2172 CE LYS A 138 124.637 28.709 -3.317 1.00 1.00 C ATOM 2173 NZ LYS A 138 124.243 29.065 -1.923 1.00 1.00 N ATOM 0 H LYS A 138 121.229 26.722 -6.265 1.00 1.00 H new ATOM 0 HA LYS A 138 119.778 27.587 -4.038 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.568 28.992 -6.075 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.904 29.839 -4.693 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.990 28.240 -3.138 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.568 27.278 -4.484 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.941 29.177 -5.308 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.292 30.226 -4.063 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.765 27.630 -3.407 1.00 1.00 H new ATOM 0 HE3 LYS A 138 125.596 29.165 -3.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 124.989 29.644 -1.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 123.353 29.603 -1.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 124.111 28.196 -1.367 1.00 1.00 H new ATOM 2187 N SER A 139 118.752 28.823 -6.929 1.00 1.00 N ATOM 2188 CA SER A 139 117.655 29.524 -7.578 1.00 1.00 C ATOM 2189 C SER A 139 116.362 28.747 -7.444 1.00 1.00 C ATOM 2190 O SER A 139 115.297 29.319 -7.214 1.00 1.00 O ATOM 2191 CB SER A 139 117.972 29.732 -9.058 1.00 1.00 C ATOM 2192 OG SER A 139 116.780 30.077 -9.747 1.00 1.00 O ATOM 0 H SER A 139 119.475 28.490 -7.566 1.00 1.00 H new ATOM 0 HA SER A 139 117.534 30.491 -7.089 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.715 30.521 -9.176 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.401 28.824 -9.481 1.00 1.00 H new ATOM 0 HG SER A 139 116.979 30.213 -10.697 1.00 1.00 H new ATOM 2198 N ALA A 140 116.466 27.439 -7.611 1.00 1.00 N ATOM 2199 CA ALA A 140 115.306 26.572 -7.543 1.00 1.00 C ATOM 2200 C ALA A 140 114.689 26.574 -6.153 1.00 1.00 C ATOM 2201 O ALA A 140 113.468 26.506 -6.007 1.00 1.00 O ATOM 2202 CB ALA A 140 115.727 25.152 -7.923 1.00 1.00 C ATOM 0 H ALA A 140 117.345 26.955 -7.795 1.00 1.00 H new ATOM 0 HA ALA A 140 114.553 26.942 -8.239 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.862 24.491 -7.875 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.129 25.151 -8.936 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.491 24.801 -7.229 1.00 1.00 H new ATOM 2208 N LEU A 141 115.530 26.615 -5.137 1.00 1.00 N ATOM 2209 CA LEU A 141 115.043 26.581 -3.771 1.00 1.00 C ATOM 2210 C LEU A 141 114.809 27.971 -3.182 1.00 1.00 C ATOM 2211 O LEU A 141 114.376 28.079 -2.035 1.00 1.00 O ATOM 2212 CB LEU A 141 116.029 25.806 -2.902 1.00 1.00 C ATOM 2213 CG LEU A 141 115.521 24.378 -2.672 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.389 23.628 -3.999 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.512 23.634 -1.780 1.00 1.00 C ATOM 0 H LEU A 141 116.544 26.671 -5.230 1.00 1.00 H new ATOM 0 HA LEU A 141 114.073 26.083 -3.787 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.007 25.779 -3.383 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.159 26.312 -1.946 1.00 1.00 H new ATOM 0 HG LEU A 141 114.541 24.428 -2.197 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.027 22.617 -3.811 1.00 1.00 H new ATOM 0 HD12 LEU A 141 114.684 24.152 -4.644 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.362 23.580 -4.488 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.158 22.617 -1.612 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.487 23.603 -2.266 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.600 24.150 -0.824 1.00 1.00 H new ATOM 2227 N LYS A 142 115.089 29.033 -3.943 1.00 1.00 N ATOM 2228 CA LYS A 142 114.893 30.399 -3.452 1.00 1.00 C ATOM 2229 C LYS A 142 115.771 30.676 -2.231 1.00 1.00 C ATOM 2230 O LYS A 142 115.299 31.204 -1.225 1.00 1.00 O ATOM 2231 CB LYS A 142 113.423 30.630 -3.092 1.00 1.00 C ATOM 2232 CG LYS A 142 112.527 30.204 -4.261 1.00 1.00 C ATOM 2233 CD LYS A 142 111.634 29.044 -3.819 1.00 1.00 C ATOM 2234 CE LYS A 142 110.704 28.636 -4.965 1.00 1.00 C ATOM 2235 NZ LYS A 142 109.888 27.462 -4.546 1.00 1.00 N ATOM 0 H LYS A 142 115.450 28.974 -4.895 1.00 1.00 H new ATOM 0 HA LYS A 142 115.181 31.084 -4.249 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.165 30.062 -2.198 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.257 31.682 -2.860 1.00 1.00 H new ATOM 0 HG2 LYS A 142 111.915 31.044 -4.590 1.00 1.00 H new ATOM 0 HG3 LYS A 142 113.139 29.903 -5.112 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.248 28.195 -3.518 1.00 1.00 H new ATOM 0 HD3 LYS A 142 111.046 29.337 -2.949 1.00 1.00 H new ATOM 0 HE2 LYS A 142 110.053 29.468 -5.234 1.00 1.00 H new ATOM 0 HE3 LYS A 142 111.288 28.389 -5.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 109.256 27.184 -5.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 110.517 26.668 -4.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 109.321 27.714 -3.711 1.00 1.00 H new ATOM 2249 N LEU A 143 117.055 30.348 -2.340 1.00 1.00 N ATOM 2250 CA LEU A 143 118.010 30.594 -1.259 1.00 1.00 C ATOM 2251 C LEU A 143 118.761 31.893 -1.551 1.00 1.00 C ATOM 2252 O LEU A 143 119.421 32.025 -2.583 1.00 1.00 O ATOM 2253 CB LEU A 143 119.020 29.437 -1.169 1.00 1.00 C ATOM 2254 CG LEU A 143 118.536 28.268 -0.274 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.006 28.185 -0.168 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.049 26.959 -0.875 1.00 1.00 C ATOM 0 H LEU A 143 117.461 29.910 -3.167 1.00 1.00 H new ATOM 0 HA LEU A 143 117.473 30.670 -0.314 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.219 29.059 -2.172 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.964 29.818 -0.779 1.00 1.00 H new ATOM 0 HG LEU A 143 118.924 28.442 0.730 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.731 27.347 0.472 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.620 29.110 0.260 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.580 28.039 -1.161 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.719 26.122 -0.259 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.656 26.844 -1.885 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.138 26.977 -0.910 1.00 1.00 H new