USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 MET CE :methyl 157:sc= -2.31! (180deg=-3.18) USER MOD Set 1.2: A 123 MET CE :methyl 154:sc= -2.1 (180deg=-3.06!) USER MOD Set 1.3: A 133 TYR OH : rot -164:sc= -0.281 USER MOD Set 2.1: A 33 SER OG : rot -83:sc= 1.24 USER MOD Set 2.2: A 75 HIS : no HE2:sc= -3.11 K(o=-1.9,f=-2.5!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 166:sc= -0.67 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.755 K(o=0.76,f=-6.3!) 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= -0.626 X(o=-0.63,f=-0.38) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 37:sc= -0.0114 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= -0.515 K(o=-0.52,f=-2.6!) USER MOD Single : A 63 SER OG : rot 150:sc= -0.0242 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.48) USER MOD Single : A 76 MET CE :methyl -165:sc= -0.23 (180deg=-0.499) USER MOD Single : A 83 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.249 K(o=0.25,f=-9.6!) USER MOD Single : A 86 HIS : no HE2:sc= -0.993 K(o=-0.99,f=-3.5!) USER MOD Single : A 87 GLN : amide:sc= -0.862 K(o=-0.86,f=-0.22) USER MOD Single : A 91 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.68) USER MOD Single : A 93 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -1.96 (180deg=-1.99) USER MOD Single : A 95 ASN : amide:sc= -9.34! C(o=-9.3!,f=-7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.7!) USER MOD Single : A 102 TYR OH : rot 7:sc= -1.86! USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.0607 (180deg=-0.638) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= -0.0073 (180deg=-0.193) USER MOD Single : A 119 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.2!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -164:sc=-0.00866 (180deg=-0.315) USER MOD Single : A 138 LYS NZ :NH3+ -127:sc= 1.85 (180deg=-1.36) 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 21 131.922 15.105 2.181 1.00 1.00 N ATOM 309 CA LEU A 21 130.486 15.177 2.378 1.00 1.00 C ATOM 310 C LEU A 21 130.089 14.172 3.447 1.00 1.00 C ATOM 311 O LEU A 21 130.600 13.054 3.495 1.00 1.00 O ATOM 312 CB LEU A 21 129.762 14.878 1.062 1.00 1.00 C ATOM 313 CG LEU A 21 128.248 15.141 1.207 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.943 16.633 1.015 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.472 14.350 0.150 1.00 1.00 C ATOM 0 HA LEU A 21 130.203 16.179 2.701 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.171 15.500 0.266 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.931 13.840 0.775 1.00 1.00 H new ATOM 0 HG LEU A 21 127.945 14.828 2.206 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.871 16.802 1.120 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.477 17.213 1.767 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.263 16.945 0.021 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.405 14.543 0.262 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.794 14.658 -0.845 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.663 13.285 0.279 1.00 1.00 H new ATOM 327 N GLN A 22 129.178 14.600 4.299 1.00 1.00 N ATOM 328 CA GLN A 22 128.707 13.758 5.379 1.00 1.00 C ATOM 329 C GLN A 22 127.347 13.161 5.024 1.00 1.00 C ATOM 330 O GLN A 22 126.326 13.849 5.062 1.00 1.00 O ATOM 331 CB GLN A 22 128.602 14.601 6.647 1.00 1.00 C ATOM 332 CG GLN A 22 129.998 15.112 7.008 1.00 1.00 C ATOM 333 CD GLN A 22 129.928 16.008 8.239 1.00 1.00 C ATOM 334 OE1 GLN A 22 129.304 17.069 8.204 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.536 15.642 9.335 1.00 1.00 N ATOM 0 H GLN A 22 128.750 15.525 4.264 1.00 1.00 H new ATOM 0 HA GLN A 22 129.407 12.938 5.542 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.921 15.438 6.490 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.193 14.007 7.464 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.663 14.270 7.199 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.419 15.666 6.169 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.052 14.763 9.362 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.494 16.235 10.164 1.00 1.00 H new ATOM 344 N TRP A 23 127.339 11.869 4.689 1.00 1.00 N ATOM 345 CA TRP A 23 126.090 11.196 4.347 1.00 1.00 C ATOM 346 C TRP A 23 125.298 10.907 5.620 1.00 1.00 C ATOM 347 O TRP A 23 125.848 10.465 6.629 1.00 1.00 O ATOM 348 CB TRP A 23 126.378 9.876 3.625 1.00 1.00 C ATOM 349 CG TRP A 23 127.189 10.127 2.391 1.00 1.00 C ATOM 350 CD1 TRP A 23 126.903 11.038 1.429 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.412 9.460 1.970 1.00 1.00 C ATOM 352 NE1 TRP A 23 127.878 10.966 0.445 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.827 10.010 0.735 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.193 8.438 2.535 1.00 1.00 C ATOM 355 CZ2 TRP A 23 129.975 9.566 0.083 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.353 7.987 1.885 1.00 1.00 C ATOM 357 CH2 TRP A 23 130.742 8.548 0.659 1.00 1.00 C ATOM 0 H TRP A 23 128.170 11.278 4.648 1.00 1.00 H new ATOM 0 HA TRP A 23 125.512 11.846 3.690 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.914 9.199 4.290 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.441 9.386 3.360 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.056 11.709 1.429 1.00 1.00 H new ATOM 0 HE1 TRP A 23 127.891 11.550 -0.391 1.00 1.00 H new ATOM 0 HE3 TRP A 23 128.899 7.996 3.476 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.270 10.004 -0.859 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 130.949 7.204 2.331 1.00 1.00 H new ATOM 0 HH2 TRP A 23 131.633 8.194 0.161 1.00 1.00 H new ATOM 368 N GLU A 24 123.990 11.137 5.540 1.00 1.00 N ATOM 369 CA GLU A 24 123.087 10.884 6.661 1.00 1.00 C ATOM 370 C GLU A 24 121.996 9.912 6.211 1.00 1.00 C ATOM 371 O GLU A 24 121.785 9.730 5.012 1.00 1.00 O ATOM 372 CB GLU A 24 122.456 12.195 7.133 1.00 1.00 C ATOM 373 CG GLU A 24 123.537 13.089 7.745 1.00 1.00 C ATOM 374 CD GLU A 24 122.939 14.437 8.136 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.761 14.636 7.885 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.667 15.250 8.680 1.00 1.00 O ATOM 0 H GLU A 24 123.529 11.500 4.706 1.00 1.00 H new ATOM 0 HA GLU A 24 123.646 10.450 7.490 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.979 12.704 6.295 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.677 11.992 7.868 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.968 12.605 8.621 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.347 13.235 7.031 1.00 1.00 H new ATOM 383 N SER A 25 121.304 9.286 7.166 1.00 1.00 N ATOM 384 CA SER A 25 120.253 8.350 6.801 1.00 1.00 C ATOM 385 C SER A 25 119.008 9.114 6.402 1.00 1.00 C ATOM 386 O SER A 25 118.832 10.276 6.767 1.00 1.00 O ATOM 387 CB SER A 25 119.913 7.417 7.963 1.00 1.00 C ATOM 388 OG SER A 25 118.921 8.027 8.772 1.00 1.00 O ATOM 0 H SER A 25 121.450 9.408 8.168 1.00 1.00 H new ATOM 0 HA SER A 25 120.612 7.749 5.966 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.553 6.460 7.584 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.806 7.211 8.554 1.00 1.00 H new ATOM 0 HG SER A 25 118.537 7.359 9.378 1.00 1.00 H new ATOM 394 N TYR A 26 118.140 8.451 5.672 1.00 1.00 N ATOM 395 CA TYR A 26 116.903 9.063 5.249 1.00 1.00 C ATOM 396 C TYR A 26 116.104 9.472 6.466 1.00 1.00 C ATOM 397 O TYR A 26 115.533 10.561 6.527 1.00 1.00 O ATOM 398 CB TYR A 26 116.108 8.057 4.433 1.00 1.00 C ATOM 399 CG TYR A 26 114.722 8.585 4.188 1.00 1.00 C ATOM 400 CD1 TYR A 26 114.497 9.487 3.148 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.658 8.157 4.991 1.00 1.00 C ATOM 402 CE1 TYR A 26 113.207 9.968 2.905 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.365 8.639 4.752 1.00 1.00 C ATOM 404 CZ TYR A 26 112.140 9.539 3.701 1.00 1.00 C ATOM 405 OH TYR A 26 110.869 10.014 3.456 1.00 1.00 O ATOM 0 H TYR A 26 118.268 7.489 5.359 1.00 1.00 H new ATOM 0 HA TYR A 26 117.113 9.944 4.643 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.609 7.868 3.483 1.00 1.00 H new ATOM 0 HB3 TYR A 26 116.057 7.105 4.961 1.00 1.00 H new ATOM 0 HD1 TYR A 26 115.320 9.814 2.530 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.834 7.456 5.794 1.00 1.00 H new ATOM 0 HE1 TYR A 26 113.034 10.670 2.103 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.544 8.318 5.376 1.00 1.00 H new ATOM 0 HH TYR A 26 110.242 9.617 4.097 1.00 1.00 H new ATOM 415 N ALA A 27 116.079 8.567 7.433 1.00 1.00 N ATOM 416 CA ALA A 27 115.355 8.802 8.665 1.00 1.00 C ATOM 417 C ALA A 27 116.030 9.896 9.462 1.00 1.00 C ATOM 418 O ALA A 27 115.374 10.719 10.099 1.00 1.00 O ATOM 419 CB ALA A 27 115.275 7.515 9.487 1.00 1.00 C ATOM 0 H ALA A 27 116.553 7.665 7.385 1.00 1.00 H new ATOM 0 HA ALA A 27 114.341 9.120 8.423 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.728 7.706 10.410 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.758 6.747 8.911 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.282 7.173 9.726 1.00 1.00 H new ATOM 425 N GLU A 28 117.345 9.898 9.426 1.00 1.00 N ATOM 426 CA GLU A 28 118.106 10.892 10.151 1.00 1.00 C ATOM 427 C GLU A 28 117.949 12.264 9.526 1.00 1.00 C ATOM 428 O GLU A 28 117.876 13.272 10.229 1.00 1.00 O ATOM 429 CB GLU A 28 119.575 10.496 10.179 1.00 1.00 C ATOM 430 CG GLU A 28 119.781 9.392 11.216 1.00 1.00 C ATOM 431 CD GLU A 28 121.230 8.916 11.199 1.00 1.00 C ATOM 432 OE1 GLU A 28 122.031 9.540 10.523 1.00 1.00 O ATOM 433 OE2 GLU A 28 121.517 7.936 11.868 1.00 1.00 O ATOM 0 H GLU A 28 117.907 9.225 8.905 1.00 1.00 H new ATOM 0 HA GLU A 28 117.724 10.940 11.171 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.889 10.149 9.194 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.192 11.361 10.424 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.524 9.763 12.208 1.00 1.00 H new ATOM 0 HG3 GLU A 28 119.114 8.556 11.005 1.00 1.00 H new ATOM 440 N ALA A 29 117.909 12.307 8.201 1.00 1.00 N ATOM 441 CA ALA A 29 117.772 13.561 7.489 1.00 1.00 C ATOM 442 C ALA A 29 116.496 14.285 7.867 1.00 1.00 C ATOM 443 O ALA A 29 116.495 15.494 8.095 1.00 1.00 O ATOM 444 CB ALA A 29 117.697 13.279 5.998 1.00 1.00 C ATOM 0 H ALA A 29 117.970 11.484 7.601 1.00 1.00 H new ATOM 0 HA ALA A 29 118.631 14.179 7.748 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.594 14.218 5.455 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.607 12.773 5.677 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.836 12.644 5.791 1.00 1.00 H new ATOM 450 N LEU A 30 115.409 13.545 7.890 1.00 1.00 N ATOM 451 CA LEU A 30 114.127 14.125 8.195 1.00 1.00 C ATOM 452 C LEU A 30 114.090 14.641 9.614 1.00 1.00 C ATOM 453 O LEU A 30 113.547 15.701 9.880 1.00 1.00 O ATOM 454 CB LEU A 30 113.027 13.094 7.978 1.00 1.00 C ATOM 455 CG LEU A 30 112.906 12.795 6.485 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.357 11.388 6.291 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.932 13.783 5.837 1.00 1.00 C ATOM 0 H LEU A 30 115.391 12.543 7.701 1.00 1.00 H new ATOM 0 HA LEU A 30 113.963 14.969 7.526 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.255 12.180 8.527 1.00 1.00 H new ATOM 0 HB3 LEU A 30 112.079 13.469 8.364 1.00 1.00 H new ATOM 0 HG LEU A 30 113.891 12.884 6.027 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.271 11.175 5.226 1.00 1.00 H new ATOM 0 HD12 LEU A 30 113.032 10.667 6.752 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.374 11.313 6.757 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.849 13.566 4.772 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.952 13.687 6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.301 14.800 5.972 1.00 1.00 H new ATOM 469 N GLU A 31 114.666 13.887 10.531 1.00 1.00 N ATOM 470 CA GLU A 31 114.659 14.280 11.901 1.00 1.00 C ATOM 471 C GLU A 31 115.416 15.585 12.056 1.00 1.00 C ATOM 472 O GLU A 31 114.992 16.476 12.780 1.00 1.00 O ATOM 473 CB GLU A 31 115.228 13.138 12.754 1.00 1.00 C ATOM 474 CG GLU A 31 116.532 13.557 13.392 1.00 1.00 C ATOM 475 CD GLU A 31 117.114 12.404 14.203 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.590 11.309 14.102 1.00 1.00 O ATOM 477 OE2 GLU A 31 118.078 12.635 14.915 1.00 1.00 O ATOM 0 H GLU A 31 115.140 13.004 10.339 1.00 1.00 H new ATOM 0 HA GLU A 31 113.644 14.465 12.253 1.00 1.00 H new ATOM 0 HB2 GLU A 31 114.511 12.860 13.526 1.00 1.00 H new ATOM 0 HB3 GLU A 31 115.386 12.256 12.133 1.00 1.00 H new ATOM 0 HG2 GLU A 31 117.240 13.864 12.622 1.00 1.00 H new ATOM 0 HG3 GLU A 31 116.369 14.420 14.038 1.00 1.00 H new ATOM 484 N HIS A 32 116.524 15.698 11.341 1.00 1.00 N ATOM 485 CA HIS A 32 117.296 16.919 11.394 1.00 1.00 C ATOM 486 C HIS A 32 116.518 18.071 10.752 1.00 1.00 C ATOM 487 O HIS A 32 116.487 19.179 11.284 1.00 1.00 O ATOM 488 CB HIS A 32 118.647 16.736 10.688 1.00 1.00 C ATOM 489 CG HIS A 32 119.593 15.987 11.589 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.522 14.614 11.770 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.649 16.412 12.362 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.505 14.265 12.623 1.00 1.00 C ATOM 493 NE2 HIS A 32 121.222 15.324 13.012 1.00 1.00 N ATOM 0 H HIS A 32 116.900 14.973 10.730 1.00 1.00 H new ATOM 0 HA HIS A 32 117.481 17.161 12.441 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.510 16.190 9.755 1.00 1.00 H new ATOM 0 HB3 HIS A 32 119.068 17.708 10.430 1.00 1.00 H new ATOM 0 HD1 HIS A 32 118.848 13.983 11.336 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.982 17.435 12.451 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.691 13.253 12.952 1.00 1.00 H new ATOM 501 N SER A 33 115.906 17.810 9.594 1.00 1.00 N ATOM 502 CA SER A 33 115.147 18.828 8.877 1.00 1.00 C ATOM 503 C SER A 33 113.940 19.304 9.662 1.00 1.00 C ATOM 504 O SER A 33 113.596 20.483 9.619 1.00 1.00 O ATOM 505 CB SER A 33 114.701 18.285 7.526 1.00 1.00 C ATOM 506 OG SER A 33 115.855 17.882 6.823 1.00 1.00 O ATOM 0 H SER A 33 115.924 16.899 9.135 1.00 1.00 H new ATOM 0 HA SER A 33 115.805 19.686 8.736 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.020 17.444 7.658 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.160 19.048 6.967 1.00 1.00 H new ATOM 0 HG SER A 33 116.257 18.659 6.382 1.00 1.00 H new ATOM 512 N LYS A 34 113.303 18.401 10.397 1.00 1.00 N ATOM 513 CA LYS A 34 112.154 18.790 11.185 1.00 1.00 C ATOM 514 C LYS A 34 112.587 19.870 12.162 1.00 1.00 C ATOM 515 O LYS A 34 111.790 20.710 12.576 1.00 1.00 O ATOM 516 CB LYS A 34 111.591 17.592 11.952 1.00 1.00 C ATOM 517 CG LYS A 34 110.916 16.615 10.974 1.00 1.00 C ATOM 518 CD LYS A 34 110.672 15.261 11.659 1.00 1.00 C ATOM 519 CE LYS A 34 110.779 14.128 10.630 1.00 1.00 C ATOM 520 NZ LYS A 34 109.973 12.961 11.089 1.00 1.00 N ATOM 0 H LYS A 34 113.560 17.416 10.460 1.00 1.00 H new ATOM 0 HA LYS A 34 111.372 19.165 10.525 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.391 17.086 12.491 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.870 17.931 12.696 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.970 17.031 10.628 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.545 16.478 10.094 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.400 15.110 12.456 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.686 15.251 12.123 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.422 14.470 9.658 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.821 13.836 10.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 110.046 12.193 10.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.333 12.630 12.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.977 13.245 11.189 1.00 1.00 H new ATOM 534 N GLN A 35 113.858 19.799 12.565 1.00 1.00 N ATOM 535 CA GLN A 35 114.384 20.748 13.551 1.00 1.00 C ATOM 536 C GLN A 35 115.155 21.883 12.915 1.00 1.00 C ATOM 537 O GLN A 35 115.061 23.031 13.358 1.00 1.00 O ATOM 538 CB GLN A 35 115.323 20.026 14.510 1.00 1.00 C ATOM 539 CG GLN A 35 114.610 18.803 15.049 1.00 1.00 C ATOM 540 CD GLN A 35 115.490 18.079 16.062 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.552 17.566 15.709 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.107 18.002 17.308 1.00 1.00 N ATOM 0 H GLN A 35 114.531 19.109 12.232 1.00 1.00 H new ATOM 0 HA GLN A 35 113.522 21.164 14.072 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.239 19.735 13.996 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.612 20.687 15.327 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.672 19.098 15.518 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.358 18.130 14.229 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.227 18.428 17.598 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.688 17.516 17.991 1.00 1.00 H new ATOM 551 N ASP A 36 115.953 21.566 11.913 1.00 1.00 N ATOM 552 CA ASP A 36 116.781 22.579 11.264 1.00 1.00 C ATOM 553 C ASP A 36 116.158 23.135 9.980 1.00 1.00 C ATOM 554 O ASP A 36 116.538 24.215 9.527 1.00 1.00 O ATOM 555 CB ASP A 36 118.153 21.979 10.949 1.00 1.00 C ATOM 556 CG ASP A 36 118.892 21.676 12.250 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.474 22.187 13.277 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.859 20.936 12.202 1.00 1.00 O ATOM 0 H ASP A 36 116.049 20.626 11.530 1.00 1.00 H new ATOM 0 HA ASP A 36 116.870 23.415 11.958 1.00 1.00 H new ATOM 0 HB2 ASP A 36 118.036 21.066 10.365 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.734 22.674 10.343 1.00 1.00 H new ATOM 563 N HIS A 37 115.189 22.409 9.417 1.00 1.00 N ATOM 564 CA HIS A 37 114.490 22.841 8.198 1.00 1.00 C ATOM 565 C HIS A 37 115.360 22.754 6.948 1.00 1.00 C ATOM 566 O HIS A 37 115.024 23.335 5.916 1.00 1.00 O ATOM 567 CB HIS A 37 113.977 24.274 8.354 1.00 1.00 C ATOM 568 CG HIS A 37 113.356 24.430 9.712 1.00 1.00 C ATOM 569 ND1 HIS A 37 112.166 23.808 10.053 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.752 25.125 10.827 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.889 24.138 11.327 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.823 24.938 11.846 1.00 1.00 N ATOM 0 H HIS A 37 114.867 21.514 9.786 1.00 1.00 H new ATOM 0 HA HIS A 37 113.655 22.153 8.067 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.797 24.982 8.232 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.245 24.498 7.578 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.647 25.725 10.902 1.00 1.00 H new ATOM 0 HE1 HIS A 37 111.017 23.797 11.865 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.850 25.329 12.788 1.00 1.00 H new ATOM 580 N LYS A 38 116.481 22.047 7.038 1.00 1.00 N ATOM 581 CA LYS A 38 117.379 21.925 5.896 1.00 1.00 C ATOM 582 C LYS A 38 116.813 20.945 4.847 1.00 1.00 C ATOM 583 O LYS A 38 116.497 19.804 5.185 1.00 1.00 O ATOM 584 CB LYS A 38 118.730 21.408 6.381 1.00 1.00 C ATOM 585 CG LYS A 38 119.702 22.579 6.554 1.00 1.00 C ATOM 586 CD LYS A 38 120.924 22.118 7.354 1.00 1.00 C ATOM 587 CE LYS A 38 121.777 23.329 7.738 1.00 1.00 C ATOM 588 NZ LYS A 38 121.540 23.671 9.171 1.00 1.00 N ATOM 0 H LYS A 38 116.787 21.556 7.878 1.00 1.00 H new ATOM 0 HA LYS A 38 117.486 22.905 5.432 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.609 20.881 7.327 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.133 20.691 5.666 1.00 1.00 H new ATOM 0 HG2 LYS A 38 120.013 22.954 5.579 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.207 23.403 7.069 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.604 21.587 8.251 1.00 1.00 H new ATOM 0 HD3 LYS A 38 121.515 21.418 6.763 1.00 1.00 H new ATOM 0 HE2 LYS A 38 122.832 23.110 7.575 1.00 1.00 H new ATOM 0 HE3 LYS A 38 121.526 24.179 7.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 122.120 24.494 9.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 120.535 23.897 9.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 121.800 22.861 9.769 1.00 1.00 H new ATOM 602 N PRO A 39 116.700 21.337 3.586 1.00 1.00 N ATOM 603 CA PRO A 39 116.187 20.426 2.517 1.00 1.00 C ATOM 604 C PRO A 39 117.000 19.136 2.414 1.00 1.00 C ATOM 605 O PRO A 39 118.184 19.109 2.753 1.00 1.00 O ATOM 606 CB PRO A 39 116.331 21.216 1.214 1.00 1.00 C ATOM 607 CG PRO A 39 116.578 22.637 1.589 1.00 1.00 C ATOM 608 CD PRO A 39 117.019 22.672 3.052 1.00 1.00 C ATOM 0 HA PRO A 39 115.161 20.128 2.733 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.155 20.826 0.616 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.429 21.128 0.609 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.346 23.071 0.949 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.674 23.230 1.450 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.085 22.885 3.137 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.493 23.452 3.603 1.00 1.00 H new ATOM 616 N ILE A 40 116.351 18.065 1.951 1.00 1.00 N ATOM 617 CA ILE A 40 117.020 16.774 1.815 1.00 1.00 C ATOM 618 C ILE A 40 117.208 16.420 0.340 1.00 1.00 C ATOM 619 O ILE A 40 116.259 16.479 -0.444 1.00 1.00 O ATOM 620 CB ILE A 40 116.192 15.666 2.467 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.403 16.230 3.654 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.147 14.583 2.960 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.569 15.118 4.294 1.00 1.00 C ATOM 0 H ILE A 40 115.371 18.068 1.667 1.00 1.00 H new ATOM 0 HA ILE A 40 117.989 16.854 2.308 1.00 1.00 H new ATOM 0 HB ILE A 40 115.489 15.254 1.744 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.087 16.654 4.389 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.753 17.039 3.320 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.577 13.781 3.429 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.710 14.183 2.117 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.838 15.010 3.687 1.00 1.00 H new ATOM 0 HD11 ILE A 40 114.009 15.522 5.137 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.874 14.715 3.557 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.229 14.324 4.644 1.00 1.00 H new ATOM 635 N GLY A 41 118.422 16.014 -0.022 1.00 1.00 N ATOM 636 CA GLY A 41 118.712 15.609 -1.392 1.00 1.00 C ATOM 637 C GLY A 41 118.855 14.088 -1.451 1.00 1.00 C ATOM 638 O GLY A 41 119.797 13.533 -0.883 1.00 1.00 O ATOM 0 H GLY A 41 119.218 15.957 0.613 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.913 15.936 -2.057 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.629 16.085 -1.738 1.00 1.00 H new ATOM 642 N LEU A 42 117.946 13.423 -2.169 1.00 1.00 N ATOM 643 CA LEU A 42 118.027 11.975 -2.314 1.00 1.00 C ATOM 644 C LEU A 42 118.746 11.673 -3.616 1.00 1.00 C ATOM 645 O LEU A 42 118.310 12.089 -4.692 1.00 1.00 O ATOM 646 CB LEU A 42 116.641 11.297 -2.388 1.00 1.00 C ATOM 647 CG LEU A 42 115.740 11.650 -1.197 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.535 13.151 -1.077 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.370 11.014 -1.420 1.00 1.00 C ATOM 0 H LEU A 42 117.159 13.859 -2.650 1.00 1.00 H new ATOM 0 HA LEU A 42 118.548 11.589 -1.438 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.146 11.594 -3.312 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.773 10.216 -2.430 1.00 1.00 H new ATOM 0 HG LEU A 42 116.219 11.283 -0.289 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.892 13.363 -0.223 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.499 13.640 -0.936 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.067 13.528 -1.986 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.716 11.255 -0.582 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.935 11.400 -2.342 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.479 9.932 -1.496 1.00 1.00 H new ATOM 661 N PHE A 43 119.866 10.981 -3.500 1.00 1.00 N ATOM 662 CA PHE A 43 120.671 10.650 -4.665 1.00 1.00 C ATOM 663 C PHE A 43 120.304 9.260 -5.181 1.00 1.00 C ATOM 664 O PHE A 43 120.684 8.254 -4.579 1.00 1.00 O ATOM 665 CB PHE A 43 122.143 10.696 -4.255 1.00 1.00 C ATOM 666 CG PHE A 43 123.020 10.716 -5.475 1.00 1.00 C ATOM 667 CD1 PHE A 43 122.963 11.802 -6.352 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.895 9.656 -5.731 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.771 11.826 -7.485 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.705 9.683 -6.869 1.00 1.00 C ATOM 671 CZ PHE A 43 124.640 10.773 -7.747 1.00 1.00 C ATOM 0 H PHE A 43 120.239 10.638 -2.615 1.00 1.00 H new ATOM 0 HA PHE A 43 120.486 11.365 -5.467 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.332 11.581 -3.648 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.384 9.830 -3.639 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.291 12.624 -6.151 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.945 8.819 -5.051 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.723 12.665 -8.163 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.380 8.865 -7.072 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.265 10.795 -8.627 1.00 1.00 H new ATOM 681 N PHE A 44 119.590 9.202 -6.314 1.00 1.00 N ATOM 682 CA PHE A 44 119.190 7.933 -6.942 1.00 1.00 C ATOM 683 C PHE A 44 120.185 7.559 -8.035 1.00 1.00 C ATOM 684 O PHE A 44 120.390 8.333 -8.972 1.00 1.00 O ATOM 685 CB PHE A 44 117.804 8.079 -7.562 1.00 1.00 C ATOM 686 CG PHE A 44 116.757 7.943 -6.492 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.306 9.073 -5.794 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.235 6.681 -6.198 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.327 8.932 -4.804 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.258 6.541 -5.210 1.00 1.00 C ATOM 691 CZ PHE A 44 114.803 7.666 -4.512 1.00 1.00 C ATOM 0 H PHE A 44 119.274 10.029 -6.820 1.00 1.00 H new ATOM 0 HA PHE A 44 119.173 7.153 -6.180 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.714 9.048 -8.052 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.656 7.319 -8.329 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.713 10.048 -6.020 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.587 5.813 -6.735 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.975 9.799 -4.265 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.854 5.565 -4.985 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.047 7.558 -3.748 1.00 1.00 H new ATOM 701 N THR A 45 120.799 6.376 -7.918 1.00 1.00 N ATOM 702 CA THR A 45 121.769 5.963 -8.932 1.00 1.00 C ATOM 703 C THR A 45 121.954 4.447 -9.059 1.00 1.00 C ATOM 704 O THR A 45 121.329 3.655 -8.354 1.00 1.00 O ATOM 705 CB THR A 45 123.125 6.608 -8.631 1.00 1.00 C ATOM 706 OG1 THR A 45 123.448 6.410 -7.262 1.00 1.00 O ATOM 707 CG2 THR A 45 123.063 8.105 -8.929 1.00 1.00 C ATOM 0 H THR A 45 120.648 5.711 -7.160 1.00 1.00 H new ATOM 0 HA THR A 45 121.364 6.301 -9.886 1.00 1.00 H new ATOM 0 HB THR A 45 123.890 6.149 -9.257 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.148 5.521 -6.980 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.030 8.559 -8.713 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.817 8.257 -9.980 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.298 8.568 -8.307 1.00 1.00 H new ATOM 715 N GLY A 46 122.898 4.084 -9.924 1.00 1.00 N ATOM 716 CA GLY A 46 123.308 2.701 -10.147 1.00 1.00 C ATOM 717 C GLY A 46 124.824 2.702 -10.080 1.00 1.00 C ATOM 718 O GLY A 46 125.507 2.932 -11.079 1.00 1.00 O ATOM 0 H GLY A 46 123.408 4.755 -10.499 1.00 1.00 H new ATOM 0 HA2 GLY A 46 122.884 2.041 -9.390 1.00 1.00 H new ATOM 0 HA3 GLY A 46 122.960 2.341 -11.115 1.00 1.00 H new ATOM 722 N SER A 47 125.333 2.531 -8.871 1.00 1.00 N ATOM 723 CA SER A 47 126.762 2.598 -8.615 1.00 1.00 C ATOM 724 C SER A 47 127.621 1.675 -9.476 1.00 1.00 C ATOM 725 O SER A 47 128.759 2.023 -9.786 1.00 1.00 O ATOM 726 CB SER A 47 127.027 2.292 -7.140 1.00 1.00 C ATOM 727 OG SER A 47 128.420 2.406 -6.880 1.00 1.00 O ATOM 0 H SER A 47 124.769 2.342 -8.042 1.00 1.00 H new ATOM 0 HA SER A 47 127.057 3.613 -8.882 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.469 2.983 -6.507 1.00 1.00 H new ATOM 0 HB3 SER A 47 126.681 1.287 -6.897 1.00 1.00 H new ATOM 0 HG SER A 47 128.593 2.212 -5.935 1.00 1.00 H new ATOM 733 N ASP A 48 127.130 0.479 -9.820 1.00 1.00 N ATOM 734 CA ASP A 48 127.941 -0.466 -10.584 1.00 1.00 C ATOM 735 C ASP A 48 127.569 -0.587 -12.064 1.00 1.00 C ATOM 736 O ASP A 48 128.233 -1.339 -12.777 1.00 1.00 O ATOM 737 CB ASP A 48 127.834 -1.852 -9.946 1.00 1.00 C ATOM 738 CG ASP A 48 128.526 -1.853 -8.588 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.229 -0.897 -8.301 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.347 -2.811 -7.855 1.00 1.00 O ATOM 0 H ASP A 48 126.193 0.150 -9.586 1.00 1.00 H new ATOM 0 HA ASP A 48 128.956 -0.070 -10.553 1.00 1.00 H new ATOM 0 HB2 ASP A 48 126.786 -2.129 -9.830 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.290 -2.598 -10.597 1.00 1.00 H new ATOM 745 N TRP A 49 126.500 0.070 -12.536 1.00 1.00 N ATOM 746 CA TRP A 49 126.114 -0.113 -13.942 1.00 1.00 C ATOM 747 C TRP A 49 125.843 1.176 -14.710 1.00 1.00 C ATOM 748 O TRP A 49 125.963 1.180 -15.935 1.00 1.00 O ATOM 749 CB TRP A 49 124.877 -1.010 -14.024 1.00 1.00 C ATOM 750 CG TRP A 49 123.860 -0.596 -13.009 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.033 -0.619 -11.663 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.507 -0.112 -13.237 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.876 -0.188 -11.057 1.00 1.00 N ATOM 754 CE2 TRP A 49 121.903 0.140 -11.984 1.00 1.00 C ATOM 755 CE3 TRP A 49 121.753 0.127 -14.399 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.595 0.617 -11.886 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.437 0.607 -14.305 1.00 1.00 C ATOM 758 CH2 TRP A 49 119.860 0.849 -13.050 1.00 1.00 C ATOM 0 H TRP A 49 125.912 0.704 -11.995 1.00 1.00 H new ATOM 0 HA TRP A 49 126.979 -0.572 -14.420 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.446 -0.954 -15.023 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.162 -2.049 -13.858 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.933 -0.926 -11.151 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.751 -0.119 -10.047 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.188 -0.060 -15.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.155 0.805 -10.918 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 119.866 0.791 -15.203 1.00 1.00 H new ATOM 0 HH2 TRP A 49 118.846 1.215 -12.984 1.00 1.00 H new ATOM 769 N CYS A 50 125.524 2.271 -14.034 1.00 1.00 N ATOM 770 CA CYS A 50 125.301 3.529 -14.737 1.00 1.00 C ATOM 771 C CYS A 50 126.573 4.374 -14.657 1.00 1.00 C ATOM 772 O CYS A 50 127.309 4.296 -13.675 1.00 1.00 O ATOM 773 CB CYS A 50 124.124 4.287 -14.128 1.00 1.00 C ATOM 774 SG CYS A 50 124.557 6.031 -14.028 1.00 1.00 S ATOM 0 H CYS A 50 125.415 2.317 -13.021 1.00 1.00 H new ATOM 0 HA CYS A 50 125.062 3.321 -15.780 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.231 4.153 -14.738 1.00 1.00 H new ATOM 0 HB3 CYS A 50 123.894 3.896 -13.137 1.00 1.00 H new ATOM 779 N MET A 51 126.848 5.150 -15.706 1.00 1.00 N ATOM 780 CA MET A 51 128.060 5.970 -15.740 1.00 1.00 C ATOM 781 C MET A 51 127.772 7.457 -15.530 1.00 1.00 C ATOM 782 O MET A 51 128.579 8.165 -14.933 1.00 1.00 O ATOM 783 CB MET A 51 128.770 5.769 -17.077 1.00 1.00 C ATOM 784 CG MET A 51 130.265 5.544 -16.841 1.00 1.00 C ATOM 785 SD MET A 51 131.084 5.296 -18.435 1.00 1.00 S ATOM 786 CE MET A 51 132.771 5.138 -17.807 1.00 1.00 C ATOM 0 H MET A 51 126.257 5.228 -16.533 1.00 1.00 H new ATOM 0 HA MET A 51 128.696 5.646 -14.916 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.343 4.914 -17.601 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.620 6.641 -17.714 1.00 1.00 H new ATOM 0 HG2 MET A 51 130.698 6.401 -16.325 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.418 4.676 -16.200 1.00 1.00 H new ATOM 0 HE1 MET A 51 133.455 4.976 -18.640 1.00 1.00 H new ATOM 0 HE2 MET A 51 133.050 6.051 -17.280 1.00 1.00 H new ATOM 0 HE3 MET A 51 132.826 4.292 -17.122 1.00 1.00 H new ATOM 796 N TRP A 52 126.625 7.932 -16.007 1.00 1.00 N ATOM 797 CA TRP A 52 126.261 9.335 -15.838 1.00 1.00 C ATOM 798 C TRP A 52 126.203 9.652 -14.354 1.00 1.00 C ATOM 799 O TRP A 52 126.435 10.786 -13.934 1.00 1.00 O ATOM 800 CB TRP A 52 124.893 9.607 -16.473 1.00 1.00 C ATOM 801 CG TRP A 52 125.037 9.768 -17.955 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.946 9.127 -18.726 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.259 10.612 -18.856 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.778 9.526 -20.041 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.750 10.441 -20.172 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.186 11.500 -18.662 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.198 11.127 -21.256 1.00 1.00 C ATOM 808 CZ3 TRP A 52 122.627 12.191 -19.748 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.132 12.005 -21.042 1.00 1.00 C ATOM 0 H TRP A 52 125.937 7.371 -16.510 1.00 1.00 H new ATOM 0 HA TRP A 52 127.006 9.964 -16.327 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.211 8.785 -16.253 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.456 10.508 -16.042 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.682 8.420 -18.373 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.344 9.186 -20.819 1.00 1.00 H new ATOM 0 HE3 TRP A 52 122.789 11.651 -17.669 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.591 10.980 -22.251 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 121.803 12.870 -19.586 1.00 1.00 H new ATOM 0 HH2 TRP A 52 122.698 12.540 -21.874 1.00 1.00 H new ATOM 820 N CYS A 53 125.901 8.633 -13.573 1.00 1.00 N ATOM 821 CA CYS A 53 125.821 8.786 -12.136 1.00 1.00 C ATOM 822 C CYS A 53 127.204 8.974 -11.567 1.00 1.00 C ATOM 823 O CYS A 53 127.428 9.836 -10.727 1.00 1.00 O ATOM 824 CB CYS A 53 125.198 7.544 -11.508 1.00 1.00 C ATOM 825 SG CYS A 53 125.771 6.103 -12.418 1.00 1.00 S ATOM 0 H CYS A 53 125.707 7.690 -13.911 1.00 1.00 H new ATOM 0 HA CYS A 53 125.204 9.656 -11.913 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.481 7.467 -10.458 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.110 7.606 -11.542 1.00 1.00 H new ATOM 830 N ILE A 54 128.143 8.178 -12.053 1.00 1.00 N ATOM 831 CA ILE A 54 129.500 8.289 -11.586 1.00 1.00 C ATOM 832 C ILE A 54 129.977 9.698 -11.881 1.00 1.00 C ATOM 833 O ILE A 54 130.610 10.336 -11.042 1.00 1.00 O ATOM 834 CB ILE A 54 130.403 7.291 -12.305 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.827 5.872 -12.186 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.793 7.318 -11.678 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.675 4.894 -13.011 1.00 1.00 C ATOM 0 H ILE A 54 127.986 7.460 -12.761 1.00 1.00 H new ATOM 0 HA ILE A 54 129.539 8.075 -10.518 1.00 1.00 H new ATOM 0 HB ILE A 54 130.464 7.567 -13.358 1.00 1.00 H new ATOM 0 HG12 ILE A 54 129.812 5.562 -11.141 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.795 5.858 -12.537 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.438 6.605 -12.192 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.214 8.319 -11.769 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.722 7.049 -10.624 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.261 3.889 -12.922 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.667 5.199 -14.057 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.700 4.898 -12.640 1.00 1.00 H new ATOM 849 N LYS A 55 129.679 10.180 -13.089 1.00 1.00 N ATOM 850 CA LYS A 55 130.103 11.510 -13.477 1.00 1.00 C ATOM 851 C LYS A 55 129.494 12.554 -12.556 1.00 1.00 C ATOM 852 O LYS A 55 130.182 13.474 -12.116 1.00 1.00 O ATOM 853 CB LYS A 55 129.702 11.814 -14.925 1.00 1.00 C ATOM 854 CG LYS A 55 130.425 10.872 -15.902 1.00 1.00 C ATOM 855 CD LYS A 55 131.938 11.132 -15.874 1.00 1.00 C ATOM 856 CE LYS A 55 132.551 10.657 -17.192 1.00 1.00 C ATOM 857 NZ LYS A 55 134.027 10.861 -17.159 1.00 1.00 N ATOM 0 H LYS A 55 129.153 9.672 -13.800 1.00 1.00 H new ATOM 0 HA LYS A 55 131.189 11.547 -13.397 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.623 11.705 -15.039 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.945 12.849 -15.164 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.223 9.835 -15.634 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.042 11.021 -16.912 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.135 12.194 -15.729 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.395 10.606 -15.036 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.323 9.603 -17.352 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.116 11.207 -18.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.442 10.538 -18.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.235 11.871 -17.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.435 10.317 -16.372 1.00 1.00 H new ATOM 871 N MET A 56 128.206 12.414 -12.252 1.00 1.00 N ATOM 872 CA MET A 56 127.545 13.358 -11.374 1.00 1.00 C ATOM 873 C MET A 56 128.199 13.338 -10.000 1.00 1.00 C ATOM 874 O MET A 56 128.445 14.387 -9.403 1.00 1.00 O ATOM 875 CB MET A 56 126.054 13.026 -11.256 1.00 1.00 C ATOM 876 CG MET A 56 125.388 14.054 -10.342 1.00 1.00 C ATOM 877 SD MET A 56 123.591 13.953 -10.496 1.00 1.00 S ATOM 878 CE MET A 56 123.205 15.227 -9.269 1.00 1.00 C ATOM 0 H MET A 56 127.610 11.663 -12.599 1.00 1.00 H new ATOM 0 HA MET A 56 127.644 14.357 -11.798 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.586 13.038 -12.240 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.922 12.022 -10.853 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.682 13.877 -9.308 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.727 15.057 -10.602 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.213 15.633 -9.466 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.227 14.789 -8.271 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.943 16.027 -9.331 1.00 1.00 H new ATOM 888 N GLN A 57 128.477 12.132 -9.497 1.00 1.00 N ATOM 889 CA GLN A 57 129.105 11.996 -8.190 1.00 1.00 C ATOM 890 C GLN A 57 130.502 12.576 -8.197 1.00 1.00 C ATOM 891 O GLN A 57 130.868 13.363 -7.327 1.00 1.00 O ATOM 892 CB GLN A 57 129.251 10.524 -7.781 1.00 1.00 C ATOM 893 CG GLN A 57 127.889 9.901 -7.551 1.00 1.00 C ATOM 894 CD GLN A 57 128.047 8.447 -7.113 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.573 7.625 -7.865 1.00 1.00 O ATOM 896 NE2 GLN A 57 127.621 8.078 -5.935 1.00 1.00 N ATOM 0 H GLN A 57 128.279 11.251 -9.971 1.00 1.00 H new ATOM 0 HA GLN A 57 128.459 12.527 -7.491 1.00 1.00 H new ATOM 0 HB2 GLN A 57 129.782 9.975 -8.559 1.00 1.00 H new ATOM 0 HB3 GLN A 57 129.850 10.450 -6.873 1.00 1.00 H new ATOM 0 HG2 GLN A 57 127.347 10.462 -6.789 1.00 1.00 H new ATOM 0 HG3 GLN A 57 127.298 9.952 -8.465 1.00 1.00 H new ATOM 0 HE21 GLN A 57 127.186 8.760 -5.314 1.00 1.00 H new ATOM 0 HE22 GLN A 57 127.724 7.108 -5.636 1.00 1.00 H new ATOM 905 N ASP A 58 131.285 12.168 -9.174 1.00 1.00 N ATOM 906 CA ASP A 58 132.669 12.623 -9.262 1.00 1.00 C ATOM 907 C ASP A 58 132.794 14.105 -9.574 1.00 1.00 C ATOM 908 O ASP A 58 133.700 14.767 -9.070 1.00 1.00 O ATOM 909 CB ASP A 58 133.401 11.832 -10.350 1.00 1.00 C ATOM 910 CG ASP A 58 134.906 12.066 -10.242 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.291 13.068 -9.662 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.651 11.238 -10.741 1.00 1.00 O ATOM 0 H ASP A 58 130.997 11.529 -9.915 1.00 1.00 H new ATOM 0 HA ASP A 58 133.114 12.455 -8.281 1.00 1.00 H new ATOM 0 HB2 ASP A 58 133.182 10.769 -10.248 1.00 1.00 H new ATOM 0 HB3 ASP A 58 133.047 12.138 -11.334 1.00 1.00 H new ATOM 917 N GLN A 59 131.954 14.618 -10.454 1.00 1.00 N ATOM 918 CA GLN A 59 132.076 16.009 -10.860 1.00 1.00 C ATOM 919 C GLN A 59 131.280 17.008 -10.016 1.00 1.00 C ATOM 920 O GLN A 59 131.656 18.178 -9.972 1.00 1.00 O ATOM 921 CB GLN A 59 131.632 16.142 -12.316 1.00 1.00 C ATOM 922 CG GLN A 59 132.453 15.200 -13.199 1.00 1.00 C ATOM 923 CD GLN A 59 133.929 15.587 -13.160 1.00 1.00 C ATOM 924 OE1 GLN A 59 134.279 16.737 -13.421 1.00 1.00 O ATOM 925 NE2 GLN A 59 134.822 14.686 -12.848 1.00 1.00 N ATOM 0 H GLN A 59 131.192 14.104 -10.896 1.00 1.00 H new ATOM 0 HA GLN A 59 133.126 16.264 -10.716 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.572 15.906 -12.405 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.759 17.171 -12.651 1.00 1.00 H new ATOM 0 HG2 GLN A 59 132.331 14.172 -12.858 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.087 15.241 -14.225 1.00 1.00 H new ATOM 0 HE21 GLN A 59 134.531 13.733 -12.632 1.00 1.00 H new ATOM 0 HE22 GLN A 59 135.811 14.936 -12.821 1.00 1.00 H new ATOM 934 N ILE A 60 130.161 16.595 -9.416 1.00 1.00 N ATOM 935 CA ILE A 60 129.339 17.551 -8.668 1.00 1.00 C ATOM 936 C ILE A 60 129.262 17.241 -7.183 1.00 1.00 C ATOM 937 O ILE A 60 129.603 18.092 -6.373 1.00 1.00 O ATOM 938 CB ILE A 60 127.924 17.559 -9.256 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.011 17.968 -10.728 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.026 18.564 -8.509 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.657 17.745 -11.400 1.00 1.00 C ATOM 0 H ILE A 60 129.811 15.637 -9.430 1.00 1.00 H new ATOM 0 HA ILE A 60 129.813 18.528 -8.764 1.00 1.00 H new ATOM 0 HB ILE A 60 127.491 16.564 -9.154 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.301 19.016 -10.809 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.780 17.385 -11.234 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.027 18.552 -8.944 1.00 1.00 H new ATOM 0 HG22 ILE A 60 126.967 18.287 -7.456 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.448 19.565 -8.597 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.719 18.036 -12.449 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.386 16.691 -11.331 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.899 18.348 -10.900 1.00 1.00 H new ATOM 953 N LEU A 61 128.795 16.070 -6.803 1.00 1.00 N ATOM 954 CA LEU A 61 128.666 15.764 -5.386 1.00 1.00 C ATOM 955 C LEU A 61 130.027 15.815 -4.703 1.00 1.00 C ATOM 956 O LEU A 61 130.143 16.269 -3.568 1.00 1.00 O ATOM 957 CB LEU A 61 128.057 14.378 -5.149 1.00 1.00 C ATOM 958 CG LEU A 61 126.571 14.298 -5.586 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.665 14.822 -4.479 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.295 15.119 -6.844 1.00 1.00 C ATOM 0 H LEU A 61 128.503 15.326 -7.437 1.00 1.00 H new ATOM 0 HA LEU A 61 128.000 16.517 -4.964 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.634 13.633 -5.697 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.135 14.127 -4.091 1.00 1.00 H new ATOM 0 HG LEU A 61 126.365 13.248 -5.794 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.625 14.760 -4.800 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.804 14.221 -3.580 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.917 15.860 -4.264 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.242 15.032 -7.111 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.537 16.165 -6.656 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.909 14.746 -7.664 1.00 1.00 H new ATOM 972 N GLN A 62 131.057 15.322 -5.392 1.00 1.00 N ATOM 973 CA GLN A 62 132.404 15.291 -4.837 1.00 1.00 C ATOM 974 C GLN A 62 133.178 16.589 -5.107 1.00 1.00 C ATOM 975 O GLN A 62 134.345 16.702 -4.728 1.00 1.00 O ATOM 976 CB GLN A 62 133.174 14.108 -5.435 1.00 1.00 C ATOM 977 CG GLN A 62 132.578 12.790 -4.929 1.00 1.00 C ATOM 978 CD GLN A 62 133.275 11.609 -5.601 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.234 11.797 -6.346 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.847 10.397 -5.380 1.00 1.00 N ATOM 0 H GLN A 62 130.981 14.940 -6.335 1.00 1.00 H new ATOM 0 HA GLN A 62 132.310 15.183 -3.756 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.127 14.145 -6.523 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.227 14.171 -5.159 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.691 12.722 -3.847 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.509 12.760 -5.140 1.00 1.00 H new ATOM 0 HE21 GLN A 62 132.051 10.242 -4.761 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.308 9.604 -5.826 1.00 1.00 H new ATOM 989 N SER A 63 132.541 17.567 -5.751 1.00 1.00 N ATOM 990 CA SER A 63 133.208 18.839 -6.047 1.00 1.00 C ATOM 991 C SER A 63 133.228 19.754 -4.823 1.00 1.00 C ATOM 992 O SER A 63 132.364 19.657 -3.954 1.00 1.00 O ATOM 993 CB SER A 63 132.499 19.554 -7.197 1.00 1.00 C ATOM 994 OG SER A 63 132.997 20.881 -7.304 1.00 1.00 O ATOM 0 H SER A 63 131.576 17.507 -6.075 1.00 1.00 H new ATOM 0 HA SER A 63 134.236 18.613 -6.331 1.00 1.00 H new ATOM 0 HB2 SER A 63 132.662 19.016 -8.131 1.00 1.00 H new ATOM 0 HB3 SER A 63 131.423 19.570 -7.022 1.00 1.00 H new ATOM 0 HG SER A 63 132.948 21.174 -8.238 1.00 1.00 H new ATOM 1000 N SER A 64 134.240 20.617 -4.740 1.00 1.00 N ATOM 1001 CA SER A 64 134.390 21.513 -3.595 1.00 1.00 C ATOM 1002 C SER A 64 133.195 22.441 -3.406 1.00 1.00 C ATOM 1003 O SER A 64 132.740 22.640 -2.280 1.00 1.00 O ATOM 1004 CB SER A 64 135.646 22.365 -3.768 1.00 1.00 C ATOM 1005 OG SER A 64 135.779 23.233 -2.652 1.00 1.00 O ATOM 0 H SER A 64 134.966 20.714 -5.450 1.00 1.00 H new ATOM 0 HA SER A 64 134.463 20.880 -2.711 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.525 21.726 -3.853 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.583 22.944 -4.689 1.00 1.00 H new ATOM 0 HG SER A 64 136.585 23.781 -2.758 1.00 1.00 H new ATOM 1011 N GLU A 65 132.704 23.035 -4.487 1.00 1.00 N ATOM 1012 CA GLU A 65 131.585 23.961 -4.386 1.00 1.00 C ATOM 1013 C GLU A 65 130.347 23.271 -3.841 1.00 1.00 C ATOM 1014 O GLU A 65 129.664 23.802 -2.965 1.00 1.00 O ATOM 1015 CB GLU A 65 131.269 24.527 -5.769 1.00 1.00 C ATOM 1016 CG GLU A 65 132.472 25.313 -6.293 1.00 1.00 C ATOM 1017 CD GLU A 65 132.711 26.543 -5.426 1.00 1.00 C ATOM 1018 OE1 GLU A 65 131.790 26.942 -4.730 1.00 1.00 O ATOM 1019 OE2 GLU A 65 133.810 27.069 -5.468 1.00 1.00 O ATOM 0 H GLU A 65 133.059 22.894 -5.433 1.00 1.00 H new ATOM 0 HA GLU A 65 131.867 24.761 -3.701 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.024 23.717 -6.456 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.394 25.175 -5.716 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.359 24.679 -6.292 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.297 25.615 -7.326 1.00 1.00 H new ATOM 1026 N PHE A 66 130.070 22.084 -4.349 1.00 1.00 N ATOM 1027 CA PHE A 66 128.922 21.322 -3.897 1.00 1.00 C ATOM 1028 C PHE A 66 129.052 20.943 -2.429 1.00 1.00 C ATOM 1029 O PHE A 66 128.092 21.032 -1.664 1.00 1.00 O ATOM 1030 CB PHE A 66 128.788 20.052 -4.717 1.00 1.00 C ATOM 1031 CG PHE A 66 127.525 19.358 -4.304 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.548 18.473 -3.226 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.325 19.615 -4.978 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.375 17.840 -2.819 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.148 18.976 -4.574 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.172 18.090 -3.491 1.00 1.00 C ATOM 0 H PHE A 66 130.624 21.628 -5.074 1.00 1.00 H new ATOM 0 HA PHE A 66 128.039 21.949 -4.023 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.762 20.288 -5.781 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.649 19.403 -4.556 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.475 18.278 -2.707 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.308 20.305 -5.808 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.394 17.155 -1.984 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.222 19.166 -5.097 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.264 17.599 -3.174 1.00 1.00 H new ATOM 1046 N LYS A 67 130.249 20.504 -2.048 1.00 1.00 N ATOM 1047 CA LYS A 67 130.500 20.095 -0.677 1.00 1.00 C ATOM 1048 C LYS A 67 130.238 21.233 0.279 1.00 1.00 C ATOM 1049 O LYS A 67 129.616 21.043 1.324 1.00 1.00 O ATOM 1050 CB LYS A 67 131.956 19.679 -0.500 1.00 1.00 C ATOM 1051 CG LYS A 67 132.201 18.297 -1.086 1.00 1.00 C ATOM 1052 CD LYS A 67 133.686 17.976 -0.937 1.00 1.00 C ATOM 1053 CE LYS A 67 133.961 16.561 -1.426 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.416 16.268 -1.301 1.00 1.00 N ATOM 0 H LYS A 67 131.054 20.424 -2.669 1.00 1.00 H new ATOM 0 HA LYS A 67 129.833 19.259 -0.464 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.607 20.405 -0.986 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.212 19.680 0.559 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.597 17.552 -0.569 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.909 18.271 -2.136 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.280 18.689 -1.508 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.985 18.074 0.106 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.383 15.844 -0.843 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.645 16.455 -2.464 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.605 15.301 -1.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.957 16.945 -1.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.703 16.353 -0.305 1.00 1.00 H new ATOM 1068 N HIS A 68 130.729 22.413 -0.065 1.00 1.00 N ATOM 1069 CA HIS A 68 130.551 23.556 0.792 1.00 1.00 C ATOM 1070 C HIS A 68 129.092 23.946 0.886 1.00 1.00 C ATOM 1071 O HIS A 68 128.576 24.189 1.975 1.00 1.00 O ATOM 1072 CB HIS A 68 131.365 24.739 0.264 1.00 1.00 C ATOM 1073 CG HIS A 68 131.105 25.946 1.119 1.00 1.00 C ATOM 1074 ND1 HIS A 68 131.622 26.077 2.396 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.373 27.085 0.893 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.198 27.256 2.887 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.434 27.910 2.011 1.00 1.00 N ATOM 0 H HIS A 68 131.248 22.596 -0.924 1.00 1.00 H new ATOM 0 HA HIS A 68 130.901 23.287 1.789 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.428 24.496 0.273 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.094 24.948 -0.771 1.00 1.00 H new ATOM 0 HD2 HIS A 68 129.832 27.307 -0.015 1.00 1.00 H new ATOM 0 HE1 HIS A 68 131.446 27.627 3.870 1.00 1.00 H new ATOM 0 HE2 HIS A 68 129.990 28.820 2.134 1.00 1.00 H new ATOM 1085 N PHE A 69 128.425 24.005 -0.259 1.00 1.00 N ATOM 1086 CA PHE A 69 127.034 24.372 -0.289 1.00 1.00 C ATOM 1087 C PHE A 69 126.190 23.377 0.494 1.00 1.00 C ATOM 1088 O PHE A 69 125.363 23.761 1.321 1.00 1.00 O ATOM 1089 CB PHE A 69 126.562 24.418 -1.740 1.00 1.00 C ATOM 1090 CG PHE A 69 125.068 24.601 -1.777 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.503 25.798 -1.328 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.249 23.575 -2.258 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.117 25.974 -1.366 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.866 23.754 -2.297 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.298 24.952 -1.850 1.00 1.00 C ATOM 0 H PHE A 69 128.832 23.802 -1.172 1.00 1.00 H new ATOM 0 HA PHE A 69 126.919 25.352 0.174 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.052 25.236 -2.267 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.839 23.497 -2.253 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.137 26.587 -0.952 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.685 22.647 -2.598 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.680 26.900 -1.021 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.232 22.965 -2.674 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.227 25.086 -1.879 1.00 1.00 H new ATOM 1105 N ALA A 70 126.368 22.096 0.185 1.00 1.00 N ATOM 1106 CA ALA A 70 125.594 21.037 0.803 1.00 1.00 C ATOM 1107 C ALA A 70 125.927 20.817 2.274 1.00 1.00 C ATOM 1108 O ALA A 70 125.038 20.527 3.072 1.00 1.00 O ATOM 1109 CB ALA A 70 125.794 19.735 0.026 1.00 1.00 C ATOM 0 H ALA A 70 127.051 21.769 -0.498 1.00 1.00 H new ATOM 0 HA ALA A 70 124.551 21.350 0.767 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.212 18.940 0.492 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.463 19.871 -1.004 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.850 19.464 0.035 1.00 1.00 H new ATOM 1115 N GLY A 71 127.194 20.947 2.642 1.00 1.00 N ATOM 1116 CA GLY A 71 127.574 20.745 4.027 1.00 1.00 C ATOM 1117 C GLY A 71 126.920 21.803 4.887 1.00 1.00 C ATOM 1118 O GLY A 71 126.563 21.554 6.039 1.00 1.00 O ATOM 0 H GLY A 71 127.960 21.187 2.013 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.269 19.752 4.358 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.658 20.796 4.129 1.00 1.00 H new ATOM 1122 N VAL A 72 126.793 22.996 4.326 1.00 1.00 N ATOM 1123 CA VAL A 72 126.216 24.106 5.044 1.00 1.00 C ATOM 1124 C VAL A 72 124.691 24.169 4.926 1.00 1.00 C ATOM 1125 O VAL A 72 124.021 24.496 5.908 1.00 1.00 O ATOM 1126 CB VAL A 72 126.810 25.410 4.512 1.00 1.00 C ATOM 1127 CG1 VAL A 72 125.900 26.572 4.894 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.197 25.631 5.116 1.00 1.00 C ATOM 0 H VAL A 72 127.085 23.214 3.373 1.00 1.00 H new ATOM 0 HA VAL A 72 126.453 23.963 6.098 1.00 1.00 H new ATOM 0 HB VAL A 72 126.896 25.351 3.427 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.321 27.504 4.516 1.00 1.00 H new ATOM 0 HG12 VAL A 72 124.912 26.418 4.460 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.815 26.626 5.979 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.616 26.562 4.734 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.116 25.688 6.201 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.849 24.801 4.844 1.00 1.00 H new ATOM 1138 N HIS A 73 124.141 23.970 3.722 1.00 1.00 N ATOM 1139 CA HIS A 73 122.698 24.138 3.513 1.00 1.00 C ATOM 1140 C HIS A 73 121.872 22.861 3.304 1.00 1.00 C ATOM 1141 O HIS A 73 120.655 22.983 3.160 1.00 1.00 O ATOM 1142 CB HIS A 73 122.479 25.054 2.304 1.00 1.00 C ATOM 1143 CG HIS A 73 122.802 26.477 2.677 1.00 1.00 C ATOM 1144 ND1 HIS A 73 123.868 27.166 2.121 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.200 27.356 3.548 1.00 1.00 C ATOM 1146 CE1 HIS A 73 123.873 28.402 2.654 1.00 1.00 C ATOM 1147 NE2 HIS A 73 122.878 28.570 3.530 1.00 1.00 N ATOM 0 H HIS A 73 124.664 23.697 2.890 1.00 1.00 H new ATOM 0 HA HIS A 73 122.335 24.556 4.452 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.110 24.734 1.475 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.446 24.983 1.965 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.333 27.136 4.153 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.594 29.166 2.404 1.00 1.00 H new ATOM 0 HE2 HIS A 73 122.662 29.408 4.069 1.00 1.00 H new ATOM 1155 N LEU A 74 122.467 21.661 3.208 1.00 1.00 N ATOM 1156 CA LEU A 74 121.623 20.482 2.925 1.00 1.00 C ATOM 1157 C LEU A 74 121.962 19.213 3.690 1.00 1.00 C ATOM 1158 O LEU A 74 123.054 19.064 4.235 1.00 1.00 O ATOM 1159 CB LEU A 74 121.683 20.133 1.442 1.00 1.00 C ATOM 1160 CG LEU A 74 120.962 21.181 0.597 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.961 22.205 0.079 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.317 20.475 -0.587 1.00 1.00 C ATOM 0 H LEU A 74 123.466 21.482 3.314 1.00 1.00 H new ATOM 0 HA LEU A 74 120.633 20.797 3.255 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.723 20.060 1.125 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.230 19.155 1.277 1.00 1.00 H new ATOM 0 HG LEU A 74 120.210 21.690 1.200 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.440 22.949 -0.523 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.449 22.696 0.921 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.711 21.704 -0.533 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.795 21.205 -1.206 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.087 19.981 -1.180 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.606 19.732 -0.225 1.00 1.00 H new ATOM 1174 N HIS A 75 121.037 18.260 3.617 1.00 1.00 N ATOM 1175 CA HIS A 75 121.229 16.938 4.182 1.00 1.00 C ATOM 1176 C HIS A 75 121.254 15.978 2.995 1.00 1.00 C ATOM 1177 O HIS A 75 120.326 15.974 2.184 1.00 1.00 O ATOM 1178 CB HIS A 75 120.100 16.582 5.154 1.00 1.00 C ATOM 1179 CG HIS A 75 120.164 17.495 6.351 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.263 17.525 7.199 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.275 18.409 6.862 1.00 1.00 C ATOM 1182 CE1 HIS A 75 121.008 18.428 8.164 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.811 18.994 8.008 1.00 1.00 N ATOM 0 H HIS A 75 120.133 18.388 3.162 1.00 1.00 H new ATOM 0 HA HIS A 75 122.153 16.884 4.758 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.134 16.681 4.659 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.191 15.543 5.470 1.00 1.00 H new ATOM 0 HD1 HIS A 75 122.110 16.964 7.107 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.308 18.639 6.440 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.690 18.665 8.967 1.00 1.00 H new ATOM 1191 N MET A 76 122.321 15.196 2.862 1.00 1.00 N ATOM 1192 CA MET A 76 122.440 14.280 1.727 1.00 1.00 C ATOM 1193 C MET A 76 122.115 12.850 2.103 1.00 1.00 C ATOM 1194 O MET A 76 122.518 12.361 3.160 1.00 1.00 O ATOM 1195 CB MET A 76 123.863 14.326 1.167 1.00 1.00 C ATOM 1196 CG MET A 76 124.119 15.666 0.474 1.00 1.00 C ATOM 1197 SD MET A 76 124.595 15.357 -1.245 1.00 1.00 S ATOM 1198 CE MET A 76 122.976 15.660 -1.985 1.00 1.00 C ATOM 0 H MET A 76 123.106 15.175 3.513 1.00 1.00 H new ATOM 0 HA MET A 76 121.719 14.608 0.979 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.583 14.182 1.973 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.009 13.510 0.460 1.00 1.00 H new ATOM 0 HG2 MET A 76 123.224 16.287 0.511 1.00 1.00 H new ATOM 0 HG3 MET A 76 124.908 16.213 0.991 1.00 1.00 H new ATOM 0 HE1 MET A 76 122.963 15.272 -3.004 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.207 15.159 -1.396 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.779 16.732 -2.002 1.00 1.00 H new ATOM 1208 N VAL A 77 121.395 12.178 1.211 1.00 1.00 N ATOM 1209 CA VAL A 77 121.030 10.794 1.423 1.00 1.00 C ATOM 1210 C VAL A 77 121.404 9.999 0.179 1.00 1.00 C ATOM 1211 O VAL A 77 121.079 10.392 -0.941 1.00 1.00 O ATOM 1212 CB VAL A 77 119.528 10.702 1.704 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.087 9.240 1.747 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.230 11.361 3.054 1.00 1.00 C ATOM 0 H VAL A 77 121.055 12.576 0.335 1.00 1.00 H new ATOM 0 HA VAL A 77 121.562 10.382 2.281 1.00 1.00 H new ATOM 0 HB VAL A 77 118.983 11.212 0.910 1.00 1.00 H new ATOM 0 HG11 VAL A 77 118.017 9.189 1.948 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.300 8.767 0.788 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.630 8.719 2.536 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.162 11.299 3.261 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.782 10.846 3.840 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.534 12.407 3.023 1.00 1.00 H new ATOM 1224 N GLU A 78 122.096 8.889 0.382 1.00 1.00 N ATOM 1225 CA GLU A 78 122.522 8.051 -0.730 1.00 1.00 C ATOM 1226 C GLU A 78 121.520 6.931 -0.945 1.00 1.00 C ATOM 1227 O GLU A 78 121.204 6.178 -0.023 1.00 1.00 O ATOM 1228 CB GLU A 78 123.905 7.460 -0.429 1.00 1.00 C ATOM 1229 CG GLU A 78 124.408 6.660 -1.635 1.00 1.00 C ATOM 1230 CD GLU A 78 125.797 6.100 -1.343 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.215 6.176 -0.198 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.426 5.608 -2.266 1.00 1.00 O ATOM 0 H GLU A 78 122.374 8.548 1.302 1.00 1.00 H new ATOM 0 HA GLU A 78 122.578 8.656 -1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.608 8.259 -0.194 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.851 6.815 0.448 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.717 5.846 -1.856 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.442 7.299 -2.518 1.00 1.00 H new ATOM 1239 N VAL A 79 121.023 6.824 -2.170 1.00 1.00 N ATOM 1240 CA VAL A 79 120.059 5.799 -2.519 1.00 1.00 C ATOM 1241 C VAL A 79 120.527 5.100 -3.792 1.00 1.00 C ATOM 1242 O VAL A 79 120.354 5.614 -4.896 1.00 1.00 O ATOM 1243 CB VAL A 79 118.688 6.445 -2.765 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.586 5.414 -2.527 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.491 7.639 -1.815 1.00 1.00 C ATOM 0 H VAL A 79 121.276 7.442 -2.941 1.00 1.00 H new ATOM 0 HA VAL A 79 119.974 5.077 -1.707 1.00 1.00 H new ATOM 0 HB VAL A 79 118.640 6.798 -3.795 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.613 5.874 -2.702 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.719 4.575 -3.210 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.638 5.056 -1.499 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.516 8.091 -1.996 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.545 7.295 -0.782 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.272 8.378 -1.992 1.00 1.00 H new ATOM 1255 N ASP A 80 121.224 3.980 -3.607 1.00 1.00 N ATOM 1256 CA ASP A 80 121.838 3.292 -4.741 1.00 1.00 C ATOM 1257 C ASP A 80 121.166 1.990 -5.158 1.00 1.00 C ATOM 1258 O ASP A 80 120.655 1.253 -4.314 1.00 1.00 O ATOM 1259 CB ASP A 80 123.305 3.006 -4.419 1.00 1.00 C ATOM 1260 CG ASP A 80 124.085 4.316 -4.339 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.572 5.318 -4.814 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.178 4.300 -3.801 1.00 1.00 O ATOM 0 H ASP A 80 121.376 3.537 -2.701 1.00 1.00 H new ATOM 0 HA ASP A 80 121.721 3.970 -5.587 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.381 2.469 -3.473 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.736 2.362 -5.186 1.00 1.00 H new ATOM 1267 N PHE A 81 121.207 1.692 -6.454 1.00 1.00 N ATOM 1268 CA PHE A 81 120.640 0.448 -6.963 1.00 1.00 C ATOM 1269 C PHE A 81 121.740 -0.335 -7.686 1.00 1.00 C ATOM 1270 O PHE A 81 121.792 -0.348 -8.915 1.00 1.00 O ATOM 1271 CB PHE A 81 119.498 0.763 -7.928 1.00 1.00 C ATOM 1272 CG PHE A 81 118.248 1.017 -7.123 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.542 -0.059 -6.583 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.805 2.327 -6.905 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.388 0.170 -5.823 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.653 2.559 -6.143 1.00 1.00 C ATOM 1277 CZ PHE A 81 115.943 1.479 -5.602 1.00 1.00 C ATOM 0 H PHE A 81 121.624 2.291 -7.166 1.00 1.00 H new ATOM 0 HA PHE A 81 120.248 -0.149 -6.140 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.743 1.636 -8.533 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.343 -0.068 -8.616 1.00 1.00 H new ATOM 0 HD1 PHE A 81 117.886 -1.069 -6.751 1.00 1.00 H new ATOM 0 HD2 PHE A 81 118.352 3.159 -7.324 1.00 1.00 H new ATOM 0 HE1 PHE A 81 115.841 -0.663 -5.407 1.00 1.00 H new ATOM 0 HE2 PHE A 81 116.312 3.570 -5.973 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.054 1.656 -5.015 1.00 1.00 H new ATOM 1287 N PRO A 82 122.640 -0.949 -6.948 1.00 1.00 N ATOM 1288 CA PRO A 82 123.792 -1.710 -7.530 1.00 1.00 C ATOM 1289 C PRO A 82 123.422 -3.072 -8.124 1.00 1.00 C ATOM 1290 O PRO A 82 122.416 -3.676 -7.748 1.00 1.00 O ATOM 1291 CB PRO A 82 124.747 -1.857 -6.346 1.00 1.00 C ATOM 1292 CG PRO A 82 123.869 -1.878 -5.143 1.00 1.00 C ATOM 1293 CD PRO A 82 122.664 -0.995 -5.469 1.00 1.00 C ATOM 0 HA PRO A 82 124.217 -1.183 -8.385 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.333 -2.773 -6.423 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.454 -1.029 -6.304 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.553 -2.895 -4.911 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.400 -1.502 -4.269 1.00 1.00 H new ATOM 0 HD2 PRO A 82 121.742 -1.415 -5.068 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.773 0.002 -5.041 1.00 1.00 H new ATOM 1301 N GLN A 83 124.279 -3.564 -9.019 1.00 1.00 N ATOM 1302 CA GLN A 83 124.062 -4.882 -9.618 1.00 1.00 C ATOM 1303 C GLN A 83 124.369 -5.968 -8.595 1.00 1.00 C ATOM 1304 O GLN A 83 123.612 -6.924 -8.440 1.00 1.00 O ATOM 1305 CB GLN A 83 124.970 -5.082 -10.840 1.00 1.00 C ATOM 1306 CG GLN A 83 124.537 -4.160 -11.978 1.00 1.00 C ATOM 1307 CD GLN A 83 123.140 -4.539 -12.459 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.930 -5.651 -12.940 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.166 -3.679 -12.346 1.00 1.00 N ATOM 0 H GLN A 83 125.117 -3.080 -9.341 1.00 1.00 H new ATOM 0 HA GLN A 83 123.021 -4.945 -9.933 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.006 -4.876 -10.570 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.927 -6.121 -11.168 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.545 -3.124 -11.640 1.00 1.00 H new ATOM 0 HG3 GLN A 83 125.246 -4.231 -12.803 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.343 -2.757 -11.947 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.227 -3.928 -12.657 1.00 1.00 H new ATOM 1318 N LYS A 84 125.450 -5.769 -7.856 1.00 1.00 N ATOM 1319 CA LYS A 84 125.818 -6.686 -6.796 1.00 1.00 C ATOM 1320 C LYS A 84 125.347 -6.058 -5.505 1.00 1.00 C ATOM 1321 O LYS A 84 125.954 -5.133 -4.964 1.00 1.00 O ATOM 1322 CB LYS A 84 127.322 -6.908 -6.751 1.00 1.00 C ATOM 1323 CG LYS A 84 127.615 -8.301 -6.190 1.00 1.00 C ATOM 1324 CD LYS A 84 129.114 -8.551 -6.246 1.00 1.00 C ATOM 1325 CE LYS A 84 129.430 -9.943 -5.699 1.00 1.00 C ATOM 1326 NZ LYS A 84 130.895 -10.189 -5.794 1.00 1.00 N ATOM 0 H LYS A 84 126.086 -4.980 -7.973 1.00 1.00 H new ATOM 0 HA LYS A 84 125.361 -7.662 -6.961 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.745 -6.811 -7.751 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.794 -6.147 -6.130 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.259 -8.376 -5.163 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.085 -9.059 -6.767 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.468 -8.466 -7.274 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.640 -7.794 -5.664 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.103 -10.021 -4.662 1.00 1.00 H new ATOM 0 HE3 LYS A 84 128.885 -10.700 -6.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.113 -11.136 -5.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.193 -10.130 -6.789 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.404 -9.473 -5.237 1.00 1.00 H new ATOM 1340 N ASN A 85 124.219 -6.549 -5.072 1.00 1.00 N ATOM 1341 CA ASN A 85 123.559 -6.035 -3.882 1.00 1.00 C ATOM 1342 C ASN A 85 123.982 -6.749 -2.599 1.00 1.00 C ATOM 1343 O ASN A 85 123.918 -7.971 -2.477 1.00 1.00 O ATOM 1344 CB ASN A 85 122.052 -6.174 -4.066 1.00 1.00 C ATOM 1345 CG ASN A 85 121.317 -5.195 -3.161 1.00 1.00 C ATOM 1346 OD1 ASN A 85 121.896 -4.667 -2.212 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.065 -4.927 -3.401 1.00 1.00 N ATOM 0 H ASN A 85 123.724 -7.316 -5.527 1.00 1.00 H new ATOM 0 HA ASN A 85 123.854 -4.992 -3.769 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.787 -5.987 -5.107 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.743 -7.194 -3.837 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.559 -4.276 -2.801 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.591 -5.368 -4.189 1.00 1.00 H new ATOM 1354 N HIS A 86 124.407 -5.917 -1.653 1.00 1.00 N ATOM 1355 CA HIS A 86 124.843 -6.421 -0.354 1.00 1.00 C ATOM 1356 C HIS A 86 124.198 -5.627 0.776 1.00 1.00 C ATOM 1357 O HIS A 86 124.647 -5.688 1.920 1.00 1.00 O ATOM 1358 CB HIS A 86 126.365 -6.324 -0.240 1.00 1.00 C ATOM 1359 CG HIS A 86 126.998 -7.254 -1.236 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.848 -8.630 -1.161 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.789 -7.023 -2.334 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.533 -9.169 -2.186 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.125 -8.233 -2.932 1.00 1.00 N ATOM 0 H HIS A 86 124.459 -4.904 -1.758 1.00 1.00 H new ATOM 0 HA HIS A 86 124.536 -7.464 -0.271 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.690 -5.300 -0.424 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.683 -6.583 0.770 1.00 1.00 H new ATOM 0 HD1 HIS A 86 126.315 -9.141 -0.457 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.103 -6.050 -2.681 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.596 -10.229 -2.382 1.00 1.00 H new ATOM 1371 N GLN A 87 123.138 -4.892 0.457 1.00 1.00 N ATOM 1372 CA GLN A 87 122.438 -4.104 1.458 1.00 1.00 C ATOM 1373 C GLN A 87 121.395 -4.974 2.171 1.00 1.00 C ATOM 1374 O GLN A 87 120.870 -5.920 1.581 1.00 1.00 O ATOM 1375 CB GLN A 87 121.758 -2.913 0.784 1.00 1.00 C ATOM 1376 CG GLN A 87 122.827 -1.897 0.377 1.00 1.00 C ATOM 1377 CD GLN A 87 122.828 -0.729 1.355 1.00 1.00 C ATOM 1378 OE1 GLN A 87 123.475 -0.793 2.399 1.00 1.00 O ATOM 1379 NE2 GLN A 87 122.134 0.339 1.076 1.00 1.00 N ATOM 0 H GLN A 87 122.748 -4.827 -0.483 1.00 1.00 H new ATOM 0 HA GLN A 87 123.152 -3.738 2.196 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.200 -3.244 -0.092 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.041 -2.454 1.464 1.00 1.00 H new ATOM 0 HG2 GLN A 87 123.808 -2.373 0.364 1.00 1.00 H new ATOM 0 HG3 GLN A 87 122.634 -1.537 -0.633 1.00 1.00 H new ATOM 0 HE21 GLN A 87 121.599 0.387 0.209 1.00 1.00 H new ATOM 0 HE22 GLN A 87 122.126 1.126 1.725 1.00 1.00 H new ATOM 1388 N PRO A 88 121.091 -4.690 3.417 1.00 1.00 N ATOM 1389 CA PRO A 88 120.096 -5.491 4.195 1.00 1.00 C ATOM 1390 C PRO A 88 118.671 -5.329 3.673 1.00 1.00 C ATOM 1391 O PRO A 88 118.349 -4.345 3.005 1.00 1.00 O ATOM 1392 CB PRO A 88 120.232 -4.958 5.622 1.00 1.00 C ATOM 1393 CG PRO A 88 120.780 -3.579 5.481 1.00 1.00 C ATOM 1394 CD PRO A 88 121.647 -3.587 4.223 1.00 1.00 C ATOM 0 HA PRO A 88 120.290 -6.561 4.118 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.268 -4.947 6.131 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.898 -5.586 6.214 1.00 1.00 H new ATOM 0 HG2 PRO A 88 119.976 -2.848 5.394 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.368 -3.303 6.356 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.590 -2.636 3.693 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.697 -3.757 4.462 1.00 1.00 H new ATOM 1402 N GLU A 89 117.834 -6.328 3.942 1.00 1.00 N ATOM 1403 CA GLU A 89 116.457 -6.324 3.464 1.00 1.00 C ATOM 1404 C GLU A 89 115.714 -5.040 3.832 1.00 1.00 C ATOM 1405 O GLU A 89 115.037 -4.466 2.987 1.00 1.00 O ATOM 1406 CB GLU A 89 115.701 -7.527 4.032 1.00 1.00 C ATOM 1407 CG GLU A 89 114.312 -7.593 3.394 1.00 1.00 C ATOM 1408 CD GLU A 89 113.568 -8.836 3.863 1.00 1.00 C ATOM 1409 OE1 GLU A 89 114.024 -9.458 4.808 1.00 1.00 O ATOM 1410 OE2 GLU A 89 112.548 -9.148 3.269 1.00 1.00 O ATOM 0 H GLU A 89 118.087 -7.151 4.489 1.00 1.00 H new ATOM 0 HA GLU A 89 116.498 -6.383 2.376 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.251 -8.446 3.830 1.00 1.00 H new ATOM 0 HB3 GLU A 89 115.613 -7.439 5.115 1.00 1.00 H new ATOM 0 HG2 GLU A 89 113.743 -6.701 3.655 1.00 1.00 H new ATOM 0 HG3 GLU A 89 114.404 -7.605 2.308 1.00 1.00 H new ATOM 1417 N GLU A 90 115.806 -4.595 5.079 1.00 1.00 N ATOM 1418 CA GLU A 90 115.082 -3.397 5.493 1.00 1.00 C ATOM 1419 C GLU A 90 115.465 -2.189 4.647 1.00 1.00 C ATOM 1420 O GLU A 90 114.615 -1.368 4.301 1.00 1.00 O ATOM 1421 CB GLU A 90 115.376 -3.102 6.964 1.00 1.00 C ATOM 1422 CG GLU A 90 114.795 -4.219 7.832 1.00 1.00 C ATOM 1423 CD GLU A 90 115.174 -3.997 9.292 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.847 -3.018 9.566 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.787 -4.810 10.115 1.00 1.00 O ATOM 0 H GLU A 90 116.364 -5.035 5.811 1.00 1.00 H new ATOM 0 HA GLU A 90 114.017 -3.584 5.353 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.452 -3.025 7.123 1.00 1.00 H new ATOM 0 HB3 GLU A 90 114.942 -2.143 7.248 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.710 -4.243 7.729 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.169 -5.185 7.494 1.00 1.00 H new ATOM 1432 N GLN A 91 116.743 -2.088 4.314 1.00 1.00 N ATOM 1433 CA GLN A 91 117.222 -0.974 3.505 1.00 1.00 C ATOM 1434 C GLN A 91 116.724 -1.107 2.071 1.00 1.00 C ATOM 1435 O GLN A 91 116.352 -0.111 1.449 1.00 1.00 O ATOM 1436 CB GLN A 91 118.754 -0.926 3.538 1.00 1.00 C ATOM 1437 CG GLN A 91 119.271 0.282 2.747 1.00 1.00 C ATOM 1438 CD GLN A 91 118.802 1.584 3.394 1.00 1.00 C ATOM 1439 OE1 GLN A 91 118.792 1.704 4.620 1.00 1.00 O ATOM 1440 NE2 GLN A 91 118.417 2.573 2.635 1.00 1.00 N ATOM 0 H GLN A 91 117.463 -2.757 4.588 1.00 1.00 H new ATOM 0 HA GLN A 91 116.832 -0.044 3.918 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.100 -0.867 4.570 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.162 -1.845 3.117 1.00 1.00 H new ATOM 0 HG2 GLN A 91 120.360 0.260 2.708 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.914 0.231 1.718 1.00 1.00 H new ATOM 0 HE21 GLN A 91 118.426 2.471 1.620 1.00 1.00 H new ATOM 0 HE22 GLN A 91 118.107 3.448 3.056 1.00 1.00 H new ATOM 1449 N ARG A 92 116.711 -2.324 1.541 1.00 1.00 N ATOM 1450 CA ARG A 92 116.252 -2.542 0.175 1.00 1.00 C ATOM 1451 C ARG A 92 114.762 -2.226 0.050 1.00 1.00 C ATOM 1452 O ARG A 92 114.341 -1.600 -0.921 1.00 1.00 O ATOM 1453 CB ARG A 92 116.518 -3.994 -0.239 1.00 1.00 C ATOM 1454 CG ARG A 92 118.025 -4.200 -0.433 1.00 1.00 C ATOM 1455 CD ARG A 92 118.303 -5.672 -0.752 1.00 1.00 C ATOM 1456 NE ARG A 92 118.041 -6.489 0.426 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.080 -7.816 0.374 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.361 -8.420 -0.747 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.835 -8.514 1.449 1.00 1.00 N ATOM 0 H ARG A 92 117.010 -3.167 2.031 1.00 1.00 H new ATOM 0 HA ARG A 92 116.802 -1.874 -0.487 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.142 -4.676 0.524 1.00 1.00 H new ATOM 0 HB3 ARG A 92 115.986 -4.224 -1.162 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.388 -3.567 -1.242 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.562 -3.905 0.468 1.00 1.00 H new ATOM 0 HD2 ARG A 92 117.675 -5.999 -1.580 1.00 1.00 H new ATOM 0 HD3 ARG A 92 119.338 -5.796 -1.069 1.00 1.00 H new ATOM 0 HE ARG A 92 117.823 -6.031 1.311 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.552 -7.874 -1.587 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.390 -9.439 -0.784 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.614 -8.041 2.325 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.864 -9.533 1.413 1.00 1.00 H new ATOM 1473 N GLN A 93 113.963 -2.650 1.030 1.00 1.00 N ATOM 1474 CA GLN A 93 112.523 -2.391 0.987 1.00 1.00 C ATOM 1475 C GLN A 93 112.242 -0.894 1.032 1.00 1.00 C ATOM 1476 O GLN A 93 111.416 -0.383 0.275 1.00 1.00 O ATOM 1477 CB GLN A 93 111.843 -3.047 2.189 1.00 1.00 C ATOM 1478 CG GLN A 93 111.979 -4.563 2.092 1.00 1.00 C ATOM 1479 CD GLN A 93 111.347 -5.221 3.312 1.00 1.00 C ATOM 1480 OE1 GLN A 93 111.840 -5.064 4.429 1.00 1.00 O ATOM 1481 NE2 GLN A 93 110.272 -5.945 3.165 1.00 1.00 N ATOM 0 H GLN A 93 114.281 -3.166 1.850 1.00 1.00 H new ATOM 0 HA GLN A 93 112.133 -2.805 0.057 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.295 -2.690 3.114 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.790 -2.768 2.220 1.00 1.00 H new ATOM 0 HG2 GLN A 93 111.496 -4.922 1.183 1.00 1.00 H new ATOM 0 HG3 GLN A 93 113.031 -4.839 2.024 1.00 1.00 H new ATOM 0 HE21 GLN A 93 109.866 -6.073 2.238 1.00 1.00 H new ATOM 0 HE22 GLN A 93 109.837 -6.383 3.977 1.00 1.00 H new ATOM 1490 N LYS A 94 112.924 -0.207 1.935 1.00 1.00 N ATOM 1491 CA LYS A 94 112.744 1.229 2.103 1.00 1.00 C ATOM 1492 C LYS A 94 113.114 1.986 0.830 1.00 1.00 C ATOM 1493 O LYS A 94 112.370 2.858 0.373 1.00 1.00 O ATOM 1494 CB LYS A 94 113.618 1.673 3.265 1.00 1.00 C ATOM 1495 CG LYS A 94 113.462 3.165 3.513 1.00 1.00 C ATOM 1496 CD LYS A 94 114.312 3.530 4.722 1.00 1.00 C ATOM 1497 CE LYS A 94 114.200 5.018 4.987 1.00 1.00 C ATOM 1498 NZ LYS A 94 115.038 5.356 6.175 1.00 1.00 N ATOM 0 H LYS A 94 113.610 -0.621 2.566 1.00 1.00 H new ATOM 0 HA LYS A 94 111.696 1.449 2.309 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.346 1.119 4.164 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.661 1.442 3.051 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.780 3.732 2.638 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.416 3.415 3.692 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.981 2.968 5.596 1.00 1.00 H new ATOM 0 HD3 LYS A 94 115.353 3.259 4.544 1.00 1.00 H new ATOM 0 HE2 LYS A 94 114.533 5.583 4.116 1.00 1.00 H new ATOM 0 HE3 LYS A 94 113.161 5.293 5.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 114.804 6.315 6.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 114.851 4.674 6.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 116.044 5.315 5.913 1.00 1.00 H new ATOM 1512 N ASN A 95 114.264 1.644 0.267 1.00 1.00 N ATOM 1513 CA ASN A 95 114.733 2.290 -0.955 1.00 1.00 C ATOM 1514 C ASN A 95 113.716 2.123 -2.084 1.00 1.00 C ATOM 1515 O ASN A 95 113.481 3.058 -2.848 1.00 1.00 O ATOM 1516 CB ASN A 95 116.072 1.683 -1.380 1.00 1.00 C ATOM 1517 CG ASN A 95 116.478 2.196 -2.759 1.00 1.00 C ATOM 1518 OD1 ASN A 95 117.401 1.660 -3.373 1.00 1.00 O ATOM 1519 ND2 ASN A 95 115.843 3.206 -3.290 1.00 1.00 N ATOM 0 H ASN A 95 114.889 0.926 0.633 1.00 1.00 H new ATOM 0 HA ASN A 95 114.858 3.354 -0.754 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.841 1.937 -0.650 1.00 1.00 H new ATOM 0 HB3 ASN A 95 115.996 0.596 -1.398 1.00 1.00 H new ATOM 0 HD21 ASN A 95 116.112 3.550 -4.212 1.00 1.00 H new ATOM 0 HD22 ASN A 95 115.078 3.651 -2.783 1.00 1.00 H new ATOM 1526 N GLN A 96 113.106 0.944 -2.198 1.00 1.00 N ATOM 1527 CA GLN A 96 112.128 0.718 -3.255 1.00 1.00 C ATOM 1528 C GLN A 96 110.902 1.597 -3.042 1.00 1.00 C ATOM 1529 O GLN A 96 110.341 2.128 -4.000 1.00 1.00 O ATOM 1530 CB GLN A 96 111.707 -0.758 -3.295 1.00 1.00 C ATOM 1531 CG GLN A 96 112.870 -1.616 -3.805 1.00 1.00 C ATOM 1532 CD GLN A 96 112.472 -3.090 -3.803 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.154 -3.647 -2.753 1.00 1.00 O ATOM 1534 NE2 GLN A 96 112.474 -3.759 -4.924 1.00 1.00 N ATOM 0 H GLN A 96 113.269 0.146 -1.584 1.00 1.00 H new ATOM 0 HA GLN A 96 112.591 0.978 -4.207 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.409 -1.088 -2.300 1.00 1.00 H new ATOM 0 HB3 GLN A 96 110.840 -0.881 -3.944 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.146 -1.307 -4.813 1.00 1.00 H new ATOM 0 HG3 GLN A 96 113.747 -1.467 -3.175 1.00 1.00 H new ATOM 0 HE21 GLN A 96 112.738 -3.296 -5.794 1.00 1.00 H new ATOM 0 HE22 GLN A 96 112.212 -4.745 -4.930 1.00 1.00 H new ATOM 1543 N GLU A 97 110.493 1.757 -1.789 1.00 1.00 N ATOM 1544 CA GLU A 97 109.333 2.586 -1.494 1.00 1.00 C ATOM 1545 C GLU A 97 109.606 4.036 -1.870 1.00 1.00 C ATOM 1546 O GLU A 97 108.746 4.726 -2.417 1.00 1.00 O ATOM 1547 CB GLU A 97 108.975 2.502 -0.009 1.00 1.00 C ATOM 1548 CG GLU A 97 108.480 1.095 0.331 1.00 1.00 C ATOM 1549 CD GLU A 97 107.150 0.820 -0.363 1.00 1.00 C ATOM 1550 OE1 GLU A 97 106.483 1.776 -0.722 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.817 -0.343 -0.525 1.00 1.00 O ATOM 0 H GLU A 97 110.938 1.332 -0.975 1.00 1.00 H new ATOM 0 HA GLU A 97 108.494 2.215 -2.083 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.847 2.746 0.598 1.00 1.00 H new ATOM 0 HB3 GLU A 97 108.205 3.235 0.230 1.00 1.00 H new ATOM 0 HG2 GLU A 97 109.220 0.357 0.020 1.00 1.00 H new ATOM 0 HG3 GLU A 97 108.363 0.994 1.410 1.00 1.00 H new ATOM 1558 N LEU A 98 110.814 4.492 -1.560 1.00 1.00 N ATOM 1559 CA LEU A 98 111.227 5.855 -1.848 1.00 1.00 C ATOM 1560 C LEU A 98 111.268 6.111 -3.354 1.00 1.00 C ATOM 1561 O LEU A 98 110.868 7.173 -3.833 1.00 1.00 O ATOM 1562 CB LEU A 98 112.619 6.062 -1.262 1.00 1.00 C ATOM 1563 CG LEU A 98 112.881 7.546 -1.028 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.010 8.067 0.123 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.355 7.720 -0.672 1.00 1.00 C ATOM 0 H LEU A 98 111.531 3.927 -1.104 1.00 1.00 H new ATOM 0 HA LEU A 98 110.511 6.549 -1.408 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.710 5.517 -0.322 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.370 5.656 -1.940 1.00 1.00 H new ATOM 0 HG LEU A 98 112.636 8.110 -1.928 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.208 9.128 0.278 1.00 1.00 H new ATOM 0 HD12 LEU A 98 110.958 7.927 -0.125 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.244 7.517 1.034 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.566 8.776 -0.500 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.581 7.153 0.231 1.00 1.00 H new ATOM 0 HD23 LEU A 98 114.973 7.356 -1.493 1.00 1.00 H new ATOM 1577 N LYS A 99 111.792 5.133 -4.088 1.00 1.00 N ATOM 1578 CA LYS A 99 111.923 5.257 -5.532 1.00 1.00 C ATOM 1579 C LYS A 99 110.555 5.465 -6.138 1.00 1.00 C ATOM 1580 O LYS A 99 110.396 6.214 -7.100 1.00 1.00 O ATOM 1581 CB LYS A 99 112.569 3.984 -6.106 1.00 1.00 C ATOM 1582 CG LYS A 99 112.856 4.162 -7.601 1.00 1.00 C ATOM 1583 CD LYS A 99 113.576 2.918 -8.130 1.00 1.00 C ATOM 1584 CE LYS A 99 113.885 3.083 -9.622 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.575 1.859 -10.119 1.00 1.00 N ATOM 0 H LYS A 99 112.131 4.250 -3.706 1.00 1.00 H new ATOM 0 HA LYS A 99 112.557 6.110 -5.772 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.495 3.766 -5.574 1.00 1.00 H new ATOM 0 HB3 LYS A 99 111.907 3.132 -5.955 1.00 1.00 H new ATOM 0 HG2 LYS A 99 111.925 4.316 -8.146 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.470 5.048 -7.762 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.500 2.760 -7.575 1.00 1.00 H new ATOM 0 HD3 LYS A 99 112.955 2.035 -7.975 1.00 1.00 H new ATOM 0 HE2 LYS A 99 112.963 3.247 -10.180 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.514 3.959 -9.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.787 1.967 -11.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.461 1.722 -9.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.959 1.033 -9.980 1.00 1.00 H new ATOM 1599 N ALA A 100 109.565 4.807 -5.567 1.00 1.00 N ATOM 1600 CA ALA A 100 108.211 4.933 -6.050 1.00 1.00 C ATOM 1601 C ALA A 100 107.551 6.209 -5.537 1.00 1.00 C ATOM 1602 O ALA A 100 106.743 6.827 -6.231 1.00 1.00 O ATOM 1603 CB ALA A 100 107.402 3.737 -5.588 1.00 1.00 C ATOM 0 H ALA A 100 109.676 4.181 -4.769 1.00 1.00 H new ATOM 0 HA ALA A 100 108.242 4.977 -7.139 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.378 3.828 -5.951 1.00 1.00 H new ATOM 0 HB2 ALA A 100 107.846 2.823 -5.982 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.399 3.699 -4.499 1.00 1.00 H new ATOM 1609 N GLN A 101 107.863 6.571 -4.297 1.00 1.00 N ATOM 1610 CA GLN A 101 107.262 7.729 -3.672 1.00 1.00 C ATOM 1611 C GLN A 101 107.500 9.010 -4.457 1.00 1.00 C ATOM 1612 O GLN A 101 106.564 9.777 -4.685 1.00 1.00 O ATOM 1613 CB GLN A 101 107.815 7.865 -2.257 1.00 1.00 C ATOM 1614 CG GLN A 101 107.061 8.959 -1.524 1.00 1.00 C ATOM 1615 CD GLN A 101 107.479 8.977 -0.058 1.00 1.00 C ATOM 1616 OE1 GLN A 101 107.983 7.979 0.456 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.301 10.057 0.653 1.00 1.00 N ATOM 0 H GLN A 101 108.531 6.073 -3.709 1.00 1.00 H new ATOM 0 HA GLN A 101 106.183 7.578 -3.648 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.716 6.920 -1.724 1.00 1.00 H new ATOM 0 HB3 GLN A 101 108.878 8.101 -2.292 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.267 9.926 -1.983 1.00 1.00 H new ATOM 0 HG3 GLN A 101 105.987 8.790 -1.604 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.883 10.885 0.228 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.580 10.073 1.634 1.00 1.00 H new ATOM 1626 N TYR A 102 108.744 9.254 -4.851 1.00 1.00 N ATOM 1627 CA TYR A 102 109.046 10.473 -5.582 1.00 1.00 C ATOM 1628 C TYR A 102 108.992 10.258 -7.082 1.00 1.00 C ATOM 1629 O TYR A 102 109.394 11.119 -7.864 1.00 1.00 O ATOM 1630 CB TYR A 102 110.423 11.044 -5.189 1.00 1.00 C ATOM 1631 CG TYR A 102 110.339 11.754 -3.843 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.434 12.816 -3.646 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.155 11.334 -2.776 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.344 13.438 -2.394 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.065 11.967 -1.532 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.156 13.013 -1.339 1.00 1.00 C ATOM 1637 OH TYR A 102 110.061 13.628 -0.107 1.00 1.00 O ATOM 0 H TYR A 102 109.540 8.640 -4.681 1.00 1.00 H new ATOM 0 HA TYR A 102 108.277 11.195 -5.308 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.156 10.239 -5.138 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.767 11.740 -5.954 1.00 1.00 H new ATOM 0 HD1 TYR A 102 108.809 13.151 -4.461 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.852 10.521 -2.918 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.645 14.248 -2.244 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.699 11.647 -0.718 1.00 1.00 H new ATOM 0 HH TYR A 102 109.307 14.253 -0.111 1.00 1.00 H new ATOM 1647 N LYS A 103 108.441 9.107 -7.483 1.00 1.00 N ATOM 1648 CA LYS A 103 108.276 8.786 -8.892 1.00 1.00 C ATOM 1649 C LYS A 103 109.593 8.909 -9.634 1.00 1.00 C ATOM 1650 O LYS A 103 109.676 9.574 -10.663 1.00 1.00 O ATOM 1651 CB LYS A 103 107.230 9.715 -9.506 1.00 1.00 C ATOM 1652 CG LYS A 103 105.870 9.420 -8.869 1.00 1.00 C ATOM 1653 CD LYS A 103 104.803 10.336 -9.471 1.00 1.00 C ATOM 1654 CE LYS A 103 103.438 9.984 -8.875 1.00 1.00 C ATOM 1655 NZ LYS A 103 103.483 10.156 -7.396 1.00 1.00 N ATOM 0 H LYS A 103 108.104 8.386 -6.845 1.00 1.00 H new ATOM 0 HA LYS A 103 107.939 7.753 -8.980 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.506 10.756 -9.339 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.181 9.567 -10.585 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.601 8.377 -9.033 1.00 1.00 H new ATOM 0 HG3 LYS A 103 105.924 9.570 -7.791 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.044 11.379 -9.265 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.779 10.222 -10.555 1.00 1.00 H new ATOM 0 HE2 LYS A 103 102.666 10.624 -9.303 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.174 8.956 -9.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 102.514 10.236 -7.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 103.951 9.334 -6.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 104.015 11.019 -7.163 1.00 1.00 H new ATOM 1669 N VAL A 104 110.619 8.264 -9.106 1.00 1.00 N ATOM 1670 CA VAL A 104 111.927 8.309 -9.725 1.00 1.00 C ATOM 1671 C VAL A 104 112.051 7.174 -10.737 1.00 1.00 C ATOM 1672 O VAL A 104 111.815 6.013 -10.399 1.00 1.00 O ATOM 1673 CB VAL A 104 113.003 8.182 -8.652 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.383 8.328 -9.284 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.808 9.274 -7.604 1.00 1.00 C ATOM 0 H VAL A 104 110.570 7.706 -8.254 1.00 1.00 H new ATOM 0 HA VAL A 104 112.056 9.259 -10.243 1.00 1.00 H new ATOM 0 HB VAL A 104 112.925 7.203 -8.180 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.148 8.236 -8.513 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.526 7.547 -10.031 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.463 9.305 -9.761 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.577 9.184 -6.837 1.00 1.00 H new ATOM 0 HG22 VAL A 104 112.883 10.252 -8.079 1.00 1.00 H new ATOM 0 HG23 VAL A 104 111.825 9.168 -7.146 1.00 1.00 H new ATOM 1685 N THR A 105 112.401 7.510 -11.980 1.00 1.00 N ATOM 1686 CA THR A 105 112.529 6.498 -13.029 1.00 1.00 C ATOM 1687 C THR A 105 113.917 6.504 -13.654 1.00 1.00 C ATOM 1688 O THR A 105 114.438 5.455 -14.036 1.00 1.00 O ATOM 1689 CB THR A 105 111.448 6.714 -14.102 1.00 1.00 C ATOM 1690 OG1 THR A 105 110.943 5.451 -14.513 1.00 1.00 O ATOM 1691 CG2 THR A 105 112.014 7.453 -15.320 1.00 1.00 C ATOM 0 H THR A 105 112.599 8.464 -12.282 1.00 1.00 H new ATOM 0 HA THR A 105 112.387 5.519 -12.571 1.00 1.00 H new ATOM 0 HB THR A 105 110.652 7.322 -13.673 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.252 5.581 -15.196 1.00 1.00 H new ATOM 0 HG21 THR A 105 111.226 7.591 -16.061 1.00 1.00 H new ATOM 0 HG22 THR A 105 112.395 8.426 -15.010 1.00 1.00 H new ATOM 0 HG23 THR A 105 112.824 6.868 -15.756 1.00 1.00 H new ATOM 1699 N GLY A 106 114.496 7.692 -13.781 1.00 1.00 N ATOM 1700 CA GLY A 106 115.812 7.829 -14.392 1.00 1.00 C ATOM 1701 C GLY A 106 116.866 8.278 -13.391 1.00 1.00 C ATOM 1702 O GLY A 106 116.582 9.019 -12.451 1.00 1.00 O ATOM 0 H GLY A 106 114.078 8.569 -13.471 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.110 6.875 -14.827 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.759 8.549 -15.208 1.00 1.00 H new ATOM 1706 N PHE A 107 118.089 7.826 -13.623 1.00 1.00 N ATOM 1707 CA PHE A 107 119.221 8.174 -12.772 1.00 1.00 C ATOM 1708 C PHE A 107 120.361 8.730 -13.640 1.00 1.00 C ATOM 1709 O PHE A 107 120.497 8.335 -14.799 1.00 1.00 O ATOM 1710 CB PHE A 107 119.705 6.926 -12.032 1.00 1.00 C ATOM 1711 CG PHE A 107 119.031 5.711 -12.621 1.00 1.00 C ATOM 1712 CD1 PHE A 107 117.758 5.335 -12.180 1.00 1.00 C ATOM 1713 CD2 PHE A 107 119.675 4.967 -13.618 1.00 1.00 C ATOM 1714 CE1 PHE A 107 117.128 4.214 -12.733 1.00 1.00 C ATOM 1715 CE2 PHE A 107 119.044 3.846 -14.171 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.771 3.471 -13.730 1.00 1.00 C ATOM 0 H PHE A 107 118.326 7.211 -14.401 1.00 1.00 H new ATOM 0 HA PHE A 107 118.914 8.929 -12.048 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.788 6.834 -12.118 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.475 7.006 -10.970 1.00 1.00 H new ATOM 0 HD1 PHE A 107 117.261 5.910 -11.413 1.00 1.00 H new ATOM 0 HD2 PHE A 107 120.657 5.258 -13.960 1.00 1.00 H new ATOM 0 HE1 PHE A 107 116.146 3.922 -12.391 1.00 1.00 H new ATOM 0 HE2 PHE A 107 119.541 3.271 -14.938 1.00 1.00 H new ATOM 0 HZ PHE A 107 117.284 2.608 -14.159 1.00 1.00 H new ATOM 1726 N PRO A 108 121.185 9.613 -13.124 1.00 1.00 N ATOM 1727 CA PRO A 108 121.089 10.141 -11.731 1.00 1.00 C ATOM 1728 C PRO A 108 120.005 11.193 -11.575 1.00 1.00 C ATOM 1729 O PRO A 108 119.798 12.018 -12.462 1.00 1.00 O ATOM 1730 CB PRO A 108 122.454 10.773 -11.503 1.00 1.00 C ATOM 1731 CG PRO A 108 122.869 11.245 -12.851 1.00 1.00 C ATOM 1732 CD PRO A 108 122.330 10.210 -13.839 1.00 1.00 C ATOM 0 HA PRO A 108 120.831 9.355 -11.022 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.397 11.598 -10.793 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.164 10.052 -11.098 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.463 12.235 -13.061 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.954 11.324 -12.921 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.021 10.673 -14.776 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.083 9.462 -14.087 1.00 1.00 H new ATOM 1740 N GLU A 109 119.331 11.170 -10.433 1.00 1.00 N ATOM 1741 CA GLU A 109 118.287 12.144 -10.160 1.00 1.00 C ATOM 1742 C GLU A 109 118.412 12.634 -8.725 1.00 1.00 C ATOM 1743 O GLU A 109 118.418 11.837 -7.786 1.00 1.00 O ATOM 1744 CB GLU A 109 116.904 11.522 -10.379 1.00 1.00 C ATOM 1745 CG GLU A 109 115.826 12.586 -10.144 1.00 1.00 C ATOM 1746 CD GLU A 109 114.444 12.009 -10.432 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.377 10.972 -11.069 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.475 12.617 -10.012 1.00 1.00 O ATOM 0 H GLU A 109 119.488 10.492 -9.687 1.00 1.00 H new ATOM 0 HA GLU A 109 118.401 12.985 -10.843 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.827 11.127 -11.392 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.758 10.683 -9.698 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.873 12.940 -9.114 1.00 1.00 H new ATOM 0 HG3 GLU A 109 116.009 13.448 -10.786 1.00 1.00 H new ATOM 1755 N LEU A 110 118.499 13.948 -8.550 1.00 1.00 N ATOM 1756 CA LEU A 110 118.608 14.545 -7.229 1.00 1.00 C ATOM 1757 C LEU A 110 117.334 15.330 -6.962 1.00 1.00 C ATOM 1758 O LEU A 110 116.971 16.231 -7.719 1.00 1.00 O ATOM 1759 CB LEU A 110 119.842 15.461 -7.191 1.00 1.00 C ATOM 1760 CG LEU A 110 120.609 15.331 -5.863 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.964 16.025 -6.003 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.840 15.995 -4.723 1.00 1.00 C ATOM 0 H LEU A 110 118.496 14.623 -9.315 1.00 1.00 H new ATOM 0 HA LEU A 110 118.728 13.783 -6.459 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.505 15.212 -8.020 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.531 16.496 -7.331 1.00 1.00 H new ATOM 0 HG LEU A 110 120.735 14.272 -5.637 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.516 15.939 -5.067 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.533 15.554 -6.804 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.811 17.078 -6.238 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.402 15.890 -3.795 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.701 17.053 -4.945 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.867 15.517 -4.614 1.00 1.00 H new ATOM 1774 N VAL A 111 116.646 14.945 -5.900 1.00 1.00 N ATOM 1775 CA VAL A 111 115.383 15.575 -5.536 1.00 1.00 C ATOM 1776 C VAL A 111 115.485 16.293 -4.206 1.00 1.00 C ATOM 1777 O VAL A 111 115.940 15.718 -3.221 1.00 1.00 O ATOM 1778 CB VAL A 111 114.280 14.521 -5.452 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.823 14.160 -6.862 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.823 13.281 -4.765 1.00 1.00 C ATOM 0 H VAL A 111 116.940 14.197 -5.272 1.00 1.00 H new ATOM 0 HA VAL A 111 115.144 16.307 -6.308 1.00 1.00 H new ATOM 0 HB VAL A 111 113.437 14.914 -4.883 1.00 1.00 H new ATOM 0 HG11 VAL A 111 113.036 13.408 -6.808 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.440 15.051 -7.360 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.666 13.763 -7.427 1.00 1.00 H new ATOM 0 HG21 VAL A 111 114.039 12.526 -4.703 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.662 12.886 -5.337 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.158 13.539 -3.760 1.00 1.00 H new ATOM 1790 N PHE A 112 115.047 17.537 -4.172 1.00 1.00 N ATOM 1791 CA PHE A 112 115.091 18.313 -2.950 1.00 1.00 C ATOM 1792 C PHE A 112 113.728 18.309 -2.275 1.00 1.00 C ATOM 1793 O PHE A 112 112.717 18.643 -2.890 1.00 1.00 O ATOM 1794 CB PHE A 112 115.536 19.738 -3.275 1.00 1.00 C ATOM 1795 CG PHE A 112 116.891 19.667 -3.937 1.00 1.00 C ATOM 1796 CD1 PHE A 112 118.052 19.593 -3.158 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.986 19.647 -5.334 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.305 19.506 -3.777 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.238 19.556 -5.950 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.397 19.485 -5.171 1.00 1.00 C ATOM 0 H PHE A 112 114.658 18.030 -4.975 1.00 1.00 H new ATOM 0 HA PHE A 112 115.807 17.868 -2.259 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.815 20.221 -3.935 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.587 20.337 -2.366 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.981 19.603 -2.080 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.091 19.702 -5.936 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.201 19.455 -3.176 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.310 19.541 -7.027 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.364 19.414 -5.647 1.00 1.00 H new ATOM 1810 N ILE A 113 113.716 17.918 -1.001 1.00 1.00 N ATOM 1811 CA ILE A 113 112.488 17.867 -0.218 1.00 1.00 C ATOM 1812 C ILE A 113 112.675 18.543 1.121 1.00 1.00 C ATOM 1813 O ILE A 113 113.785 18.629 1.643 1.00 1.00 O ATOM 1814 CB ILE A 113 112.032 16.420 -0.004 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.148 15.627 0.672 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.670 15.782 -1.348 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.657 14.217 1.000 1.00 1.00 C ATOM 0 H ILE A 113 114.550 17.631 -0.489 1.00 1.00 H new ATOM 0 HA ILE A 113 111.719 18.398 -0.779 1.00 1.00 H new ATOM 0 HB ILE A 113 111.150 16.411 0.636 1.00 1.00 H new ATOM 0 HG12 ILE A 113 114.018 15.576 0.017 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.465 16.133 1.584 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.347 14.753 -1.187 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.863 16.347 -1.813 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.542 15.790 -2.001 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.458 13.656 1.482 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.801 14.277 1.672 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.362 13.711 0.080 1.00 1.00 H new ATOM 1829 N ASP A 114 111.561 18.968 1.692 1.00 1.00 N ATOM 1830 CA ASP A 114 111.576 19.572 3.001 1.00 1.00 C ATOM 1831 C ASP A 114 111.342 18.468 4.013 1.00 1.00 C ATOM 1832 O ASP A 114 111.234 17.296 3.656 1.00 1.00 O ATOM 1833 CB ASP A 114 110.485 20.634 3.125 1.00 1.00 C ATOM 1834 CG ASP A 114 110.744 21.494 4.358 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.752 21.270 5.007 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.935 22.364 4.631 1.00 1.00 O ATOM 0 H ASP A 114 110.637 18.903 1.264 1.00 1.00 H new ATOM 0 HA ASP A 114 112.533 20.064 3.174 1.00 1.00 H new ATOM 0 HB2 ASP A 114 110.468 21.258 2.231 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.507 20.158 3.200 1.00 1.00 H new ATOM 1841 N ALA A 115 111.279 18.837 5.273 1.00 1.00 N ATOM 1842 CA ALA A 115 111.081 17.874 6.351 1.00 1.00 C ATOM 1843 C ALA A 115 109.671 17.287 6.339 1.00 1.00 C ATOM 1844 O ALA A 115 109.402 16.305 7.025 1.00 1.00 O ATOM 1845 CB ALA A 115 111.326 18.570 7.683 1.00 1.00 C ATOM 0 H ALA A 115 111.362 19.804 5.585 1.00 1.00 H new ATOM 0 HA ALA A 115 111.783 17.053 6.208 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.181 17.860 8.497 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.347 18.951 7.712 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.626 19.398 7.795 1.00 1.00 H new ATOM 1851 N GLU A 116 108.775 17.870 5.545 1.00 1.00 N ATOM 1852 CA GLU A 116 107.409 17.371 5.436 1.00 1.00 C ATOM 1853 C GLU A 116 107.301 16.504 4.189 1.00 1.00 C ATOM 1854 O GLU A 116 106.254 15.915 3.920 1.00 1.00 O ATOM 1855 CB GLU A 116 106.421 18.540 5.339 1.00 1.00 C ATOM 1856 CG GLU A 116 106.365 19.301 6.668 1.00 1.00 C ATOM 1857 CD GLU A 116 107.534 20.273 6.771 1.00 1.00 C ATOM 1858 OE1 GLU A 116 108.380 20.249 5.892 1.00 1.00 O ATOM 1859 OE2 GLU A 116 107.562 21.035 7.725 1.00 1.00 O ATOM 0 H GLU A 116 108.972 18.688 4.969 1.00 1.00 H new ATOM 0 HA GLU A 116 107.166 16.784 6.322 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.723 19.215 4.538 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.429 18.167 5.084 1.00 1.00 H new ATOM 0 HG2 GLU A 116 105.423 19.845 6.744 1.00 1.00 H new ATOM 0 HG3 GLU A 116 106.394 18.597 7.500 1.00 1.00 H new ATOM 1866 N GLY A 117 108.398 16.414 3.446 1.00 1.00 N ATOM 1867 CA GLY A 117 108.419 15.594 2.247 1.00 1.00 C ATOM 1868 C GLY A 117 107.924 16.355 1.027 1.00 1.00 C ATOM 1869 O GLY A 117 107.643 15.748 -0.009 1.00 1.00 O ATOM 0 H GLY A 117 109.274 16.894 3.652 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.435 15.241 2.067 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.798 14.712 2.400 1.00 1.00 H new ATOM 1873 N LYS A 118 107.836 17.679 1.122 1.00 1.00 N ATOM 1874 CA LYS A 118 107.398 18.465 -0.020 1.00 1.00 C ATOM 1875 C LYS A 118 108.571 18.714 -0.939 1.00 1.00 C ATOM 1876 O LYS A 118 109.645 19.068 -0.482 1.00 1.00 O ATOM 1877 CB LYS A 118 106.794 19.789 0.428 1.00 1.00 C ATOM 1878 CG LYS A 118 105.435 19.528 1.059 1.00 1.00 C ATOM 1879 CD LYS A 118 104.810 20.863 1.466 1.00 1.00 C ATOM 1880 CE LYS A 118 103.387 20.643 1.978 1.00 1.00 C ATOM 1881 NZ LYS A 118 103.420 19.844 3.234 1.00 1.00 N ATOM 0 H LYS A 118 108.057 18.218 1.959 1.00 1.00 H new ATOM 0 HA LYS A 118 106.628 17.907 -0.553 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.453 20.280 1.144 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.690 20.462 -0.423 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.786 19.008 0.354 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.542 18.881 1.930 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.414 21.335 2.241 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.797 21.542 0.614 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.904 21.603 2.160 1.00 1.00 H new ATOM 0 HE3 LYS A 118 102.795 20.126 1.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.488 19.882 3.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.656 18.856 3.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 104.139 20.235 3.875 1.00 1.00 H new ATOM 1895 N GLN A 119 108.359 18.523 -2.232 1.00 1.00 N ATOM 1896 CA GLN A 119 109.413 18.703 -3.215 1.00 1.00 C ATOM 1897 C GLN A 119 109.631 20.178 -3.543 1.00 1.00 C ATOM 1898 O GLN A 119 108.703 20.877 -3.949 1.00 1.00 O ATOM 1899 CB GLN A 119 109.044 17.900 -4.464 1.00 1.00 C ATOM 1900 CG GLN A 119 109.638 18.543 -5.708 1.00 1.00 C ATOM 1901 CD GLN A 119 109.590 17.546 -6.866 1.00 1.00 C ATOM 1902 OE1 GLN A 119 109.609 16.334 -6.642 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.533 17.979 -8.096 1.00 1.00 N ATOM 0 H GLN A 119 107.461 18.242 -2.625 1.00 1.00 H new ATOM 0 HA GLN A 119 110.357 18.339 -2.809 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.409 16.878 -4.367 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.960 17.844 -4.560 1.00 1.00 H new ATOM 0 HG2 GLN A 119 109.082 19.444 -5.966 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.667 18.847 -5.518 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.517 18.981 -8.284 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.504 17.315 -8.870 1.00 1.00 H new ATOM 1912 N LEU A 120 110.870 20.644 -3.367 1.00 1.00 N ATOM 1913 CA LEU A 120 111.194 22.038 -3.651 1.00 1.00 C ATOM 1914 C LEU A 120 111.778 22.185 -5.048 1.00 1.00 C ATOM 1915 O LEU A 120 111.610 23.222 -5.692 1.00 1.00 O ATOM 1916 CB LEU A 120 112.206 22.587 -2.632 1.00 1.00 C ATOM 1917 CG LEU A 120 111.674 22.371 -1.210 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.176 21.049 -0.650 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.144 23.488 -0.288 1.00 1.00 C ATOM 0 H LEU A 120 111.654 20.083 -3.034 1.00 1.00 H new ATOM 0 HA LEU A 120 110.266 22.606 -3.582 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.166 22.085 -2.752 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.377 23.649 -2.810 1.00 1.00 H new ATOM 0 HG LEU A 120 110.585 22.365 -1.261 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.789 20.911 0.360 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.833 20.232 -1.284 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.266 21.055 -0.623 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.757 23.318 0.717 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.234 23.502 -0.259 1.00 1.00 H new ATOM 0 HD23 LEU A 120 111.779 24.445 -0.660 1.00 1.00 H new ATOM 1931 N ALA A 121 112.447 21.132 -5.521 1.00 1.00 N ATOM 1932 CA ALA A 121 113.041 21.133 -6.851 1.00 1.00 C ATOM 1933 C ALA A 121 113.704 19.792 -7.143 1.00 1.00 C ATOM 1934 O ALA A 121 113.894 18.974 -6.244 1.00 1.00 O ATOM 1935 CB ALA A 121 114.093 22.234 -6.971 1.00 1.00 C ATOM 0 H ALA A 121 112.589 20.268 -4.998 1.00 1.00 H new ATOM 0 HA ALA A 121 112.241 21.311 -7.569 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.524 22.218 -7.972 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.627 23.203 -6.792 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.879 22.068 -6.234 1.00 1.00 H new ATOM 1941 N ARG A 122 114.057 19.568 -8.399 1.00 1.00 N ATOM 1942 CA ARG A 122 114.708 18.322 -8.784 1.00 1.00 C ATOM 1943 C ARG A 122 115.658 18.550 -9.950 1.00 1.00 C ATOM 1944 O ARG A 122 115.375 19.333 -10.855 1.00 1.00 O ATOM 1945 CB ARG A 122 113.651 17.280 -9.166 1.00 1.00 C ATOM 1946 CG ARG A 122 112.810 17.800 -10.337 1.00 1.00 C ATOM 1947 CD ARG A 122 111.736 16.767 -10.692 1.00 1.00 C ATOM 1948 NE ARG A 122 110.954 17.207 -11.847 1.00 1.00 N ATOM 1949 CZ ARG A 122 111.300 16.869 -13.091 1.00 1.00 C ATOM 1950 NH1 ARG A 122 112.365 16.144 -13.307 1.00 1.00 N ATOM 1951 NH2 ARG A 122 110.570 17.261 -14.100 1.00 1.00 N ATOM 0 H ARG A 122 113.906 20.225 -9.164 1.00 1.00 H new ATOM 0 HA ARG A 122 115.286 17.955 -7.936 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.134 16.342 -9.441 1.00 1.00 H new ATOM 0 HB3 ARG A 122 113.009 17.069 -8.311 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.344 18.749 -10.071 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.447 17.989 -11.201 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.205 15.808 -10.909 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.077 16.613 -9.838 1.00 1.00 H new ATOM 0 HE ARG A 122 110.126 17.785 -11.699 1.00 1.00 H new ATOM 0 HH11 ARG A 122 112.938 15.833 -12.522 1.00 1.00 H new ATOM 0 HH12 ARG A 122 112.624 15.889 -14.260 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.736 17.825 -13.937 1.00 1.00 H new ATOM 0 HH22 ARG A 122 110.834 17.003 -15.051 1.00 1.00 H new ATOM 1965 N MET A 123 116.788 17.842 -9.926 1.00 1.00 N ATOM 1966 CA MET A 123 117.759 17.956 -10.995 1.00 1.00 C ATOM 1967 C MET A 123 118.431 16.621 -11.275 1.00 1.00 C ATOM 1968 O MET A 123 118.473 15.733 -10.423 1.00 1.00 O ATOM 1969 CB MET A 123 118.858 18.954 -10.643 1.00 1.00 C ATOM 1970 CG MET A 123 118.284 20.363 -10.472 1.00 1.00 C ATOM 1971 SD MET A 123 119.642 21.561 -10.509 1.00 1.00 S ATOM 1972 CE MET A 123 120.194 21.354 -8.799 1.00 1.00 C ATOM 0 H MET A 123 117.044 17.192 -9.183 1.00 1.00 H new ATOM 0 HA MET A 123 117.209 18.294 -11.873 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.354 18.645 -9.723 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.615 18.958 -11.427 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.570 20.578 -11.267 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.742 20.437 -9.529 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.249 21.618 -8.723 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.609 22.003 -8.147 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.057 20.316 -8.496 1.00 1.00 H new ATOM 1982 N GLY A 124 118.971 16.509 -12.475 1.00 1.00 N ATOM 1983 CA GLY A 124 119.669 15.299 -12.881 1.00 1.00 C ATOM 1984 C GLY A 124 121.106 15.642 -13.215 1.00 1.00 C ATOM 1985 O GLY A 124 121.683 16.558 -12.629 1.00 1.00 O ATOM 0 H GLY A 124 118.941 17.240 -13.186 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.635 14.560 -12.081 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.178 14.854 -13.747 1.00 1.00 H new ATOM 1989 N PHE A 125 121.675 14.941 -14.179 1.00 1.00 N ATOM 1990 CA PHE A 125 123.032 15.238 -14.587 1.00 1.00 C ATOM 1991 C PHE A 125 122.992 16.404 -15.563 1.00 1.00 C ATOM 1992 O PHE A 125 122.225 16.385 -16.525 1.00 1.00 O ATOM 1993 CB PHE A 125 123.678 14.022 -15.245 1.00 1.00 C ATOM 1994 CG PHE A 125 124.960 14.445 -15.910 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.091 14.726 -15.133 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.019 14.565 -17.302 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.281 15.130 -15.751 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.210 14.966 -17.921 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.340 15.250 -17.144 1.00 1.00 C ATOM 0 H PHE A 125 121.227 14.177 -14.685 1.00 1.00 H new ATOM 0 HA PHE A 125 123.629 15.498 -13.713 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.877 13.252 -14.499 1.00 1.00 H new ATOM 0 HB3 PHE A 125 123.000 13.587 -15.979 1.00 1.00 H new ATOM 0 HD1 PHE A 125 126.045 14.631 -14.058 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.146 14.348 -17.900 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.153 15.349 -15.153 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.257 15.056 -18.996 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.258 15.562 -17.620 1.00 1.00 H new ATOM 2009 N GLU A 126 123.819 17.411 -15.328 1.00 1.00 N ATOM 2010 CA GLU A 126 123.859 18.565 -16.211 1.00 1.00 C ATOM 2011 C GLU A 126 125.297 19.078 -16.324 1.00 1.00 C ATOM 2012 O GLU A 126 126.026 19.094 -15.332 1.00 1.00 O ATOM 2013 CB GLU A 126 122.957 19.685 -15.675 1.00 1.00 C ATOM 2014 CG GLU A 126 121.738 19.079 -14.969 1.00 1.00 C ATOM 2015 CD GLU A 126 120.720 20.170 -14.656 1.00 1.00 C ATOM 2016 OE1 GLU A 126 120.236 20.787 -15.592 1.00 1.00 O ATOM 2017 OE2 GLU A 126 120.438 20.372 -13.487 1.00 1.00 O ATOM 0 H GLU A 126 124.466 17.453 -14.540 1.00 1.00 H new ATOM 0 HA GLU A 126 123.498 18.263 -17.194 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.515 20.313 -14.981 1.00 1.00 H new ATOM 0 HB3 GLU A 126 122.632 20.326 -16.494 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.283 18.317 -15.601 1.00 1.00 H new ATOM 0 HG3 GLU A 126 122.049 18.585 -14.048 1.00 1.00 H new ATOM 2024 N PRO A 127 125.728 19.497 -17.491 1.00 1.00 N ATOM 2025 CA PRO A 127 127.114 20.009 -17.691 1.00 1.00 C ATOM 2026 C PRO A 127 127.319 21.394 -17.089 1.00 1.00 C ATOM 2027 O PRO A 127 126.366 22.148 -16.894 1.00 1.00 O ATOM 2028 CB PRO A 127 127.258 20.053 -19.209 1.00 1.00 C ATOM 2029 CG PRO A 127 125.881 20.312 -19.693 1.00 1.00 C ATOM 2030 CD PRO A 127 124.960 19.542 -18.750 1.00 1.00 C ATOM 0 HA PRO A 127 127.855 19.380 -17.198 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.945 20.839 -19.522 1.00 1.00 H new ATOM 0 HB3 PRO A 127 127.648 19.114 -19.600 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.655 21.378 -19.677 1.00 1.00 H new ATOM 0 HG3 PRO A 127 125.758 19.975 -20.722 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.003 20.047 -18.620 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.744 18.542 -19.126 1.00 1.00 H new ATOM 2038 N GLY A 128 128.577 21.715 -16.806 1.00 1.00 N ATOM 2039 CA GLY A 128 128.906 23.013 -16.232 1.00 1.00 C ATOM 2040 C GLY A 128 129.763 22.884 -14.987 1.00 1.00 C ATOM 2041 O GLY A 128 130.469 23.833 -14.642 1.00 1.00 O ATOM 0 H GLY A 128 129.377 21.102 -16.963 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.432 23.614 -16.973 1.00 1.00 H new ATOM 0 HA3 GLY A 128 127.986 23.544 -15.986 1.00 1.00 H new ATOM 2045 N GLY A 129 129.752 21.738 -14.315 1.00 1.00 N ATOM 2046 CA GLY A 129 130.588 21.573 -13.139 1.00 1.00 C ATOM 2047 C GLY A 129 129.851 21.858 -11.829 1.00 1.00 C ATOM 2048 O GLY A 129 128.653 22.145 -11.814 1.00 1.00 O ATOM 0 H GLY A 129 129.185 20.927 -14.560 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.974 20.554 -13.116 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.448 22.238 -13.216 1.00 1.00 H new ATOM 2052 N GLY A 130 130.574 21.689 -10.726 1.00 1.00 N ATOM 2053 CA GLY A 130 129.986 21.840 -9.396 1.00 1.00 C ATOM 2054 C GLY A 130 129.505 23.250 -9.079 1.00 1.00 C ATOM 2055 O GLY A 130 128.439 23.420 -8.491 1.00 1.00 O ATOM 0 H GLY A 130 131.565 21.448 -10.725 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.145 21.153 -9.303 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.723 21.544 -8.650 1.00 1.00 H new ATOM 2059 N ALA A 131 130.286 24.257 -9.445 1.00 1.00 N ATOM 2060 CA ALA A 131 129.915 25.637 -9.164 1.00 1.00 C ATOM 2061 C ALA A 131 128.595 25.977 -9.834 1.00 1.00 C ATOM 2062 O ALA A 131 127.710 26.574 -9.225 1.00 1.00 O ATOM 2063 CB ALA A 131 130.986 26.582 -9.704 1.00 1.00 C ATOM 0 H ALA A 131 131.174 24.146 -9.934 1.00 1.00 H new ATOM 0 HA ALA A 131 129.820 25.752 -8.084 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.703 27.613 -9.491 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.940 26.362 -9.226 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.080 26.447 -10.782 1.00 1.00 H new ATOM 2069 N ALA A 132 128.478 25.628 -11.097 1.00 1.00 N ATOM 2070 CA ALA A 132 127.271 25.934 -11.835 1.00 1.00 C ATOM 2071 C ALA A 132 126.054 25.188 -11.269 1.00 1.00 C ATOM 2072 O ALA A 132 124.950 25.731 -11.238 1.00 1.00 O ATOM 2073 CB ALA A 132 127.467 25.577 -13.308 1.00 1.00 C ATOM 0 H ALA A 132 129.196 25.137 -11.630 1.00 1.00 H new ATOM 0 HA ALA A 132 127.076 27.002 -11.737 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.557 25.808 -13.862 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.297 26.155 -13.715 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.687 24.513 -13.398 1.00 1.00 H new ATOM 2079 N TYR A 133 126.256 23.945 -10.838 1.00 1.00 N ATOM 2080 CA TYR A 133 125.171 23.125 -10.294 1.00 1.00 C ATOM 2081 C TYR A 133 124.597 23.735 -9.021 1.00 1.00 C ATOM 2082 O TYR A 133 123.382 23.772 -8.833 1.00 1.00 O ATOM 2083 CB TYR A 133 125.704 21.725 -9.991 1.00 1.00 C ATOM 2084 CG TYR A 133 124.568 20.816 -9.592 1.00 1.00 C ATOM 2085 CD1 TYR A 133 124.189 20.711 -8.248 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.893 20.073 -10.571 1.00 1.00 C ATOM 2087 CE1 TYR A 133 123.136 19.864 -7.885 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.842 19.227 -10.206 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.463 19.123 -8.862 1.00 1.00 C ATOM 2090 OH TYR A 133 121.426 18.288 -8.499 1.00 1.00 O ATOM 0 H TYR A 133 127.164 23.480 -10.854 1.00 1.00 H new ATOM 0 HA TYR A 133 124.373 23.076 -11.035 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.212 21.323 -10.867 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.441 21.773 -9.189 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.708 21.283 -7.493 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.185 20.154 -11.607 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.842 19.782 -6.849 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.323 18.654 -10.960 1.00 1.00 H new ATOM 0 HH TYR A 133 121.236 17.665 -9.231 1.00 1.00 H new ATOM 2100 N VAL A 134 125.472 24.192 -8.135 1.00 1.00 N ATOM 2101 CA VAL A 134 125.003 24.763 -6.891 1.00 1.00 C ATOM 2102 C VAL A 134 124.204 26.037 -7.148 1.00 1.00 C ATOM 2103 O VAL A 134 123.238 26.314 -6.462 1.00 1.00 O ATOM 2104 CB VAL A 134 126.162 25.024 -5.939 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.803 23.700 -5.534 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.205 25.892 -6.606 1.00 1.00 C ATOM 0 H VAL A 134 126.485 24.178 -8.254 1.00 1.00 H new ATOM 0 HA VAL A 134 124.340 24.041 -6.415 1.00 1.00 H new ATOM 0 HB VAL A 134 125.778 25.536 -5.057 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.632 23.891 -4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 134 126.062 23.074 -5.037 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.174 23.188 -6.422 1.00 1.00 H new ATOM 0 HG21 VAL A 134 128.027 26.070 -5.913 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.583 25.388 -7.496 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.758 26.844 -6.891 1.00 1.00 H new ATOM 2116 N SER A 135 124.591 26.825 -8.131 1.00 1.00 N ATOM 2117 CA SER A 135 123.845 28.042 -8.412 1.00 1.00 C ATOM 2118 C SER A 135 122.401 27.698 -8.760 1.00 1.00 C ATOM 2119 O SER A 135 121.459 28.378 -8.349 1.00 1.00 O ATOM 2120 CB SER A 135 124.478 28.790 -9.583 1.00 1.00 C ATOM 2121 OG SER A 135 123.739 29.979 -9.833 1.00 1.00 O ATOM 0 H SER A 135 125.395 26.655 -8.736 1.00 1.00 H new ATOM 0 HA SER A 135 123.867 28.675 -7.525 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.516 29.034 -9.356 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.486 28.159 -10.472 1.00 1.00 H new ATOM 0 HG SER A 135 124.143 30.463 -10.583 1.00 1.00 H new ATOM 2127 N LYS A 136 122.251 26.645 -9.556 1.00 1.00 N ATOM 2128 CA LYS A 136 120.939 26.203 -10.018 1.00 1.00 C ATOM 2129 C LYS A 136 120.048 25.741 -8.869 1.00 1.00 C ATOM 2130 O LYS A 136 118.854 26.040 -8.844 1.00 1.00 O ATOM 2131 CB LYS A 136 121.110 25.065 -11.026 1.00 1.00 C ATOM 2132 CG LYS A 136 121.773 25.612 -12.291 1.00 1.00 C ATOM 2133 CD LYS A 136 121.980 24.477 -13.295 1.00 1.00 C ATOM 2134 CE LYS A 136 122.702 25.020 -14.527 1.00 1.00 C ATOM 2135 NZ LYS A 136 121.801 25.960 -15.253 1.00 1.00 N ATOM 0 H LYS A 136 123.027 26.078 -9.897 1.00 1.00 H new ATOM 0 HA LYS A 136 120.450 27.056 -10.489 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.719 24.270 -10.596 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.141 24.628 -11.268 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.151 26.391 -12.731 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.730 26.070 -12.043 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.563 23.676 -12.841 1.00 1.00 H new ATOM 0 HD3 LYS A 136 121.019 24.049 -13.581 1.00 1.00 H new ATOM 0 HE2 LYS A 136 123.617 25.532 -14.230 1.00 1.00 H new ATOM 0 HE3 LYS A 136 122.994 24.199 -15.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 122.167 26.120 -16.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 120.846 25.552 -15.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 121.760 26.865 -14.743 1.00 1.00 H new ATOM 2149 N VAL A 137 120.622 25.002 -7.930 1.00 1.00 N ATOM 2150 CA VAL A 137 119.836 24.505 -6.811 1.00 1.00 C ATOM 2151 C VAL A 137 119.367 25.655 -5.928 1.00 1.00 C ATOM 2152 O VAL A 137 118.251 25.640 -5.408 1.00 1.00 O ATOM 2153 CB VAL A 137 120.629 23.465 -6.012 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.561 24.138 -5.039 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.652 22.583 -5.240 1.00 1.00 C ATOM 0 H VAL A 137 121.607 24.738 -7.919 1.00 1.00 H new ATOM 0 HA VAL A 137 118.948 24.010 -7.204 1.00 1.00 H new ATOM 0 HB VAL A 137 121.220 22.865 -6.704 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.114 23.381 -4.482 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.261 24.771 -5.584 1.00 1.00 H new ATOM 0 HG13 VAL A 137 120.984 24.749 -4.345 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.207 21.839 -4.668 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.065 23.200 -4.560 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.986 22.079 -5.940 1.00 1.00 H new ATOM 2165 N LYS A 138 120.235 26.640 -5.756 1.00 1.00 N ATOM 2166 CA LYS A 138 119.918 27.785 -4.921 1.00 1.00 C ATOM 2167 C LYS A 138 118.675 28.498 -5.449 1.00 1.00 C ATOM 2168 O LYS A 138 117.791 28.865 -4.679 1.00 1.00 O ATOM 2169 CB LYS A 138 121.110 28.746 -4.901 1.00 1.00 C ATOM 2170 CG LYS A 138 122.249 28.130 -4.083 1.00 1.00 C ATOM 2171 CD LYS A 138 123.500 29.002 -4.214 1.00 1.00 C ATOM 2172 CE LYS A 138 124.606 28.462 -3.305 1.00 1.00 C ATOM 2173 NZ LYS A 138 124.266 28.772 -1.888 1.00 1.00 N ATOM 0 H LYS A 138 121.161 26.669 -6.183 1.00 1.00 H new ATOM 0 HA LYS A 138 119.714 27.443 -3.906 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.446 28.947 -5.918 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.813 29.702 -4.469 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.957 28.049 -3.036 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.458 27.120 -4.434 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.840 29.012 -5.249 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.266 30.032 -3.945 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.712 27.386 -3.440 1.00 1.00 H new ATOM 0 HE3 LYS A 138 125.563 28.912 -3.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 125.065 29.263 -1.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 123.424 29.381 -1.858 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 124.072 27.888 -1.376 1.00 1.00 H new ATOM 2187 N SER A 139 118.606 28.680 -6.761 1.00 1.00 N ATOM 2188 CA SER A 139 117.460 29.342 -7.368 1.00 1.00 C ATOM 2189 C SER A 139 116.209 28.483 -7.229 1.00 1.00 C ATOM 2190 O SER A 139 115.115 28.987 -6.991 1.00 1.00 O ATOM 2191 CB SER A 139 117.736 29.612 -8.846 1.00 1.00 C ATOM 2192 OG SER A 139 116.527 29.987 -9.491 1.00 1.00 O ATOM 0 H SER A 139 119.324 28.381 -7.421 1.00 1.00 H new ATOM 0 HA SER A 139 117.295 30.288 -6.852 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.477 30.404 -8.950 1.00 1.00 H new ATOM 0 HB3 SER A 139 118.152 28.722 -9.318 1.00 1.00 H new ATOM 0 HG SER A 139 116.703 30.162 -10.439 1.00 1.00 H new ATOM 2198 N ALA A 140 116.382 27.178 -7.397 1.00 1.00 N ATOM 2199 CA ALA A 140 115.268 26.246 -7.318 1.00 1.00 C ATOM 2200 C ALA A 140 114.671 26.200 -5.915 1.00 1.00 C ATOM 2201 O ALA A 140 113.453 26.114 -5.756 1.00 1.00 O ATOM 2202 CB ALA A 140 115.754 24.858 -7.726 1.00 1.00 C ATOM 0 H ALA A 140 117.284 26.742 -7.589 1.00 1.00 H new ATOM 0 HA ALA A 140 114.484 26.584 -7.995 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.926 24.152 -7.670 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.134 24.891 -8.747 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.549 24.539 -7.053 1.00 1.00 H new ATOM 2208 N LEU A 141 115.523 26.227 -4.904 1.00 1.00 N ATOM 2209 CA LEU A 141 115.045 26.158 -3.526 1.00 1.00 C ATOM 2210 C LEU A 141 114.755 27.542 -2.944 1.00 1.00 C ATOM 2211 O LEU A 141 114.312 27.645 -1.802 1.00 1.00 O ATOM 2212 CB LEU A 141 116.074 25.442 -2.644 1.00 1.00 C ATOM 2213 CG LEU A 141 115.865 23.927 -2.718 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.882 23.474 -4.174 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.989 23.217 -1.955 1.00 1.00 C ATOM 0 H LEU A 141 116.536 26.295 -5.004 1.00 1.00 H new ATOM 0 HA LEU A 141 114.110 25.597 -3.540 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.083 25.694 -2.970 1.00 1.00 H new ATOM 0 HB3 LEU A 141 115.979 25.780 -1.612 1.00 1.00 H new ATOM 0 HG LEU A 141 114.903 23.677 -2.272 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.733 22.395 -4.221 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.083 23.975 -4.720 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.842 23.727 -4.623 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.840 22.139 -2.008 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.950 23.473 -2.402 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.978 23.534 -0.912 1.00 1.00 H new ATOM 2227 N LYS A 142 115.004 28.608 -3.714 1.00 1.00 N ATOM 2228 CA LYS A 142 114.760 29.973 -3.240 1.00 1.00 C ATOM 2229 C LYS A 142 115.648 30.290 -2.049 1.00 1.00 C ATOM 2230 O LYS A 142 115.190 30.848 -1.052 1.00 1.00 O ATOM 2231 CB LYS A 142 113.297 30.151 -2.825 1.00 1.00 C ATOM 2232 CG LYS A 142 112.352 29.580 -3.889 1.00 1.00 C ATOM 2233 CD LYS A 142 112.422 30.401 -5.178 1.00 1.00 C ATOM 2234 CE LYS A 142 111.410 29.836 -6.174 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.441 30.640 -7.428 1.00 1.00 N ATOM 0 H LYS A 142 115.373 28.551 -4.663 1.00 1.00 H new ATOM 0 HA LYS A 142 114.989 30.653 -4.060 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.122 29.652 -1.872 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.084 31.209 -2.674 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.617 28.544 -4.098 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.330 29.577 -3.510 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.204 31.449 -4.971 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.427 30.361 -5.597 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.642 28.794 -6.392 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.409 29.856 -5.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.752 30.254 -8.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.199 31.628 -7.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.394 30.599 -7.843 1.00 1.00 H new ATOM 2249 N LEU A 143 116.925 29.973 -2.176 1.00 1.00 N ATOM 2250 CA LEU A 143 117.888 30.263 -1.131 1.00 1.00 C ATOM 2251 C LEU A 143 118.566 31.585 -1.455 1.00 1.00 C ATOM 2252 O LEU A 143 119.124 31.757 -2.539 1.00 1.00 O ATOM 2253 CB LEU A 143 118.947 29.164 -1.088 1.00 1.00 C ATOM 2254 CG LEU A 143 118.566 28.009 -0.138 1.00 1.00 C ATOM 2255 CD1 LEU A 143 117.050 27.778 -0.061 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.227 26.728 -0.654 1.00 1.00 C ATOM 0 H LEU A 143 117.319 29.513 -2.997 1.00 1.00 H new ATOM 0 HA LEU A 143 117.382 30.317 -0.167 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.096 28.769 -2.093 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.897 29.593 -0.770 1.00 1.00 H new ATOM 0 HG LEU A 143 118.908 28.274 0.862 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.842 26.954 0.622 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.562 28.682 0.302 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.668 27.533 -1.052 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.971 25.897 0.003 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.872 26.516 -1.662 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.309 26.858 -0.670 1.00 1.00 H new