USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=20 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 -116:sc= -2.3! (180deg=-3) USER MOD Set 1.2: A 123 MET CE :methyl 152:sc= -3.8 (180deg=-4.57!) USER MOD Set 1.3: A 133 TYR OH : rot 15:sc= -0.844 USER MOD Set 2.1: A 87 GLN : amide:sc= 0.0819 X(o=-0.01,f=-0.092) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.0922 X(o=-0.01,f=-0.049) USER MOD Set 3.1: A 57 GLN : amide:sc= -0.125 K(o=-0.13,f=-2.6!) USER MOD Set 3.2: A 62 GLN : amide:sc=-0.00261 K(o=-0.13,f=-1.7!) USER MOD Set 4.1: A 33 SER OG : rot -83:sc= 1.24 USER MOD Set 4.2: A 75 HIS : no HD1:sc= -1.39 K(o=-0.14,f=-0.9!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 25 SER OG : rot 154:sc= -1.18 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.48 K(o=0.48,f=-8.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 37 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.31) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0.949 (180deg=0.491) USER MOD Single : A 45 THR OG1 : rot 23:sc= -0.623 USER MOD Single : A 47 SER OG : rot 145:sc= 0.0992 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 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 SER OG : rot -94:sc= 0.335 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= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.1) USER MOD Single : A 76 MET CE :methyl 131:sc= 0 (180deg=-1.14) USER MOD Single : A 83 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.3!) USER MOD Single : A 86 HIS : no HE2:sc= -0.178 X(o=-0.18,f=-0.57) USER MOD Single : A 93 GLN : amide:sc= -0.0943 K(o=-0.094,f=-0.82) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -1.47 (180deg=-1.63) USER MOD Single : A 95 ASN : amide:sc= -9.04! C(o=-9!,f=-13!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.7!) USER MOD Single : A 102 TYR OH : rot 9:sc= -2.05! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -1.65 K(o=-1.6,f=-0.0026) USER MOD Single : A 135 SER OG : rot 71:sc= 0.182 USER MOD Single : A 136 LYS NZ :NH3+ -105:sc= 1.07 (180deg=0.0722) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 131.812 14.877 1.971 1.00 1.00 N ATOM 309 CA LEU A 21 130.379 14.935 2.220 1.00 1.00 C ATOM 310 C LEU A 21 130.004 13.926 3.292 1.00 1.00 C ATOM 311 O LEU A 21 130.532 12.813 3.342 1.00 1.00 O ATOM 312 CB LEU A 21 129.599 14.644 0.937 1.00 1.00 C ATOM 313 CG LEU A 21 128.154 15.139 1.084 1.00 1.00 C ATOM 314 CD1 LEU A 21 128.075 16.638 0.759 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.255 14.359 0.122 1.00 1.00 C ATOM 0 HA LEU A 21 130.124 15.938 2.561 1.00 1.00 H new ATOM 0 HB2 LEU A 21 130.077 15.136 0.090 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.607 13.574 0.730 1.00 1.00 H new ATOM 0 HG LEU A 21 127.822 14.981 2.110 1.00 1.00 H new ATOM 0 HD11 LEU A 21 127.046 16.980 0.866 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.715 17.193 1.445 1.00 1.00 H new ATOM 0 HD13 LEU A 21 128.408 16.806 -0.265 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.227 14.707 0.222 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.594 14.518 -0.902 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.303 13.296 0.360 1.00 1.00 H new ATOM 327 N GLN A 22 129.082 14.346 4.140 1.00 1.00 N ATOM 328 CA GLN A 22 128.610 13.503 5.222 1.00 1.00 C ATOM 329 C GLN A 22 127.270 12.883 4.841 1.00 1.00 C ATOM 330 O GLN A 22 126.240 13.557 4.860 1.00 1.00 O ATOM 331 CB GLN A 22 128.442 14.351 6.483 1.00 1.00 C ATOM 332 CG GLN A 22 129.797 14.929 6.897 1.00 1.00 C ATOM 333 CD GLN A 22 129.622 15.885 8.074 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.507 16.081 8.559 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.666 16.496 8.560 1.00 1.00 N ATOM 0 H GLN A 22 128.645 15.267 4.099 1.00 1.00 H new ATOM 0 HA GLN A 22 129.333 12.709 5.408 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.732 15.157 6.299 1.00 1.00 H new ATOM 0 HB3 GLN A 22 128.032 13.744 7.290 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.477 14.122 7.172 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.249 15.454 6.056 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.588 16.331 8.156 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.561 17.139 9.345 1.00 1.00 H new ATOM 344 N TRP A 23 127.280 11.595 4.506 1.00 1.00 N ATOM 345 CA TRP A 23 126.039 10.922 4.142 1.00 1.00 C ATOM 346 C TRP A 23 125.251 10.596 5.410 1.00 1.00 C ATOM 347 O TRP A 23 125.805 10.143 6.411 1.00 1.00 O ATOM 348 CB TRP A 23 126.348 9.644 3.355 1.00 1.00 C ATOM 349 CG TRP A 23 127.284 9.973 2.237 1.00 1.00 C ATOM 350 CD1 TRP A 23 126.973 10.737 1.164 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.677 9.578 2.065 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.083 10.827 0.342 1.00 1.00 N ATOM 353 CE2 TRP A 23 129.155 10.134 0.855 1.00 1.00 C ATOM 354 CE3 TRP A 23 129.562 8.801 2.829 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.458 9.931 0.419 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.882 8.591 2.393 1.00 1.00 C ATOM 357 CH2 TRP A 23 131.330 9.155 1.190 1.00 1.00 C ATOM 0 H TRP A 23 128.114 11.009 4.479 1.00 1.00 H new ATOM 0 HA TRP A 23 125.439 11.576 3.510 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.794 8.897 4.011 1.00 1.00 H new ATOM 0 HB3 TRP A 23 125.428 9.213 2.961 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.015 11.201 0.979 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.104 11.344 -0.537 1.00 1.00 H new ATOM 0 HE3 TRP A 23 129.227 8.362 3.757 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.796 10.369 -0.509 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 131.555 7.992 2.988 1.00 1.00 H new ATOM 0 HH2 TRP A 23 132.345 8.991 0.860 1.00 1.00 H new ATOM 368 N GLU A 24 123.942 10.823 5.332 1.00 1.00 N ATOM 369 CA GLU A 24 123.042 10.549 6.446 1.00 1.00 C ATOM 370 C GLU A 24 121.953 9.585 5.981 1.00 1.00 C ATOM 371 O GLU A 24 121.768 9.388 4.780 1.00 1.00 O ATOM 372 CB GLU A 24 122.404 11.849 6.946 1.00 1.00 C ATOM 373 CG GLU A 24 123.485 12.742 7.549 1.00 1.00 C ATOM 374 CD GLU A 24 122.873 14.055 8.017 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.679 14.227 7.839 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.606 14.872 8.554 1.00 1.00 O ATOM 0 H GLU A 24 123.480 11.198 4.503 1.00 1.00 H new ATOM 0 HA GLU A 24 123.607 10.102 7.264 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.908 12.364 6.123 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.640 11.629 7.692 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.962 12.234 8.387 1.00 1.00 H new ATOM 0 HG3 GLU A 24 124.262 12.936 6.810 1.00 1.00 H new ATOM 383 N SER A 25 121.232 8.990 6.926 1.00 1.00 N ATOM 384 CA SER A 25 120.171 8.065 6.565 1.00 1.00 C ATOM 385 C SER A 25 118.912 8.846 6.219 1.00 1.00 C ATOM 386 O SER A 25 118.750 9.993 6.635 1.00 1.00 O ATOM 387 CB SER A 25 119.868 7.109 7.716 1.00 1.00 C ATOM 388 OG SER A 25 118.943 7.731 8.590 1.00 1.00 O ATOM 0 H SER A 25 121.361 9.130 7.928 1.00 1.00 H new ATOM 0 HA SER A 25 120.500 7.483 5.704 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.457 6.175 7.333 1.00 1.00 H new ATOM 0 HB3 SER A 25 120.784 6.859 8.251 1.00 1.00 H new ATOM 0 HG SER A 25 118.431 7.045 9.066 1.00 1.00 H new ATOM 394 N TYR A 26 118.013 8.209 5.492 1.00 1.00 N ATOM 395 CA TYR A 26 116.759 8.838 5.121 1.00 1.00 C ATOM 396 C TYR A 26 115.993 9.229 6.373 1.00 1.00 C ATOM 397 O TYR A 26 115.424 10.318 6.469 1.00 1.00 O ATOM 398 CB TYR A 26 115.929 7.854 4.295 1.00 1.00 C ATOM 399 CG TYR A 26 114.459 8.191 4.397 1.00 1.00 C ATOM 400 CD1 TYR A 26 113.894 9.155 3.556 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.659 7.522 5.330 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.526 9.447 3.649 1.00 1.00 C ATOM 403 CE2 TYR A 26 112.296 7.815 5.426 1.00 1.00 C ATOM 404 CZ TYR A 26 111.727 8.777 4.585 1.00 1.00 C ATOM 405 OH TYR A 26 110.379 9.059 4.674 1.00 1.00 O ATOM 0 H TYR A 26 118.128 7.256 5.147 1.00 1.00 H new ATOM 0 HA TYR A 26 116.959 9.733 4.531 1.00 1.00 H new ATOM 0 HB2 TYR A 26 116.245 7.887 3.252 1.00 1.00 H new ATOM 0 HB3 TYR A 26 116.101 6.837 4.648 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.510 9.673 2.836 1.00 1.00 H new ATOM 0 HD2 TYR A 26 114.096 6.777 5.978 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.087 10.189 2.998 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.682 7.299 6.149 1.00 1.00 H new ATOM 0 HH TYR A 26 109.974 8.504 5.373 1.00 1.00 H new ATOM 415 N ALA A 27 115.993 8.309 7.328 1.00 1.00 N ATOM 416 CA ALA A 27 115.305 8.521 8.584 1.00 1.00 C ATOM 417 C ALA A 27 115.969 9.621 9.374 1.00 1.00 C ATOM 418 O ALA A 27 115.296 10.440 9.991 1.00 1.00 O ATOM 419 CB ALA A 27 115.302 7.232 9.406 1.00 1.00 C ATOM 0 H ALA A 27 116.465 7.408 7.252 1.00 1.00 H new ATOM 0 HA ALA A 27 114.278 8.814 8.366 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.782 7.403 10.349 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.793 6.446 8.848 1.00 1.00 H new ATOM 0 HB3 ALA A 27 116.329 6.927 9.608 1.00 1.00 H new ATOM 425 N GLU A 28 117.288 9.622 9.350 1.00 1.00 N ATOM 426 CA GLU A 28 118.069 10.602 10.067 1.00 1.00 C ATOM 427 C GLU A 28 117.891 11.988 9.474 1.00 1.00 C ATOM 428 O GLU A 28 117.829 12.981 10.197 1.00 1.00 O ATOM 429 CB GLU A 28 119.535 10.194 9.998 1.00 1.00 C ATOM 430 CG GLU A 28 119.765 9.002 10.931 1.00 1.00 C ATOM 431 CD GLU A 28 119.726 9.452 12.385 1.00 1.00 C ATOM 432 OE1 GLU A 28 119.932 10.627 12.629 1.00 1.00 O ATOM 433 OE2 GLU A 28 119.472 8.613 13.233 1.00 1.00 O ATOM 0 H GLU A 28 117.845 8.942 8.832 1.00 1.00 H new ATOM 0 HA GLU A 28 117.731 10.639 11.103 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.804 9.929 8.976 1.00 1.00 H new ATOM 0 HB3 GLU A 28 120.172 11.029 10.290 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.002 8.244 10.758 1.00 1.00 H new ATOM 0 HG3 GLU A 28 120.728 8.541 10.712 1.00 1.00 H new ATOM 440 N ALA A 29 117.830 12.057 8.156 1.00 1.00 N ATOM 441 CA ALA A 29 117.685 13.326 7.463 1.00 1.00 C ATOM 442 C ALA A 29 116.428 14.078 7.842 1.00 1.00 C ATOM 443 O ALA A 29 116.455 15.289 8.057 1.00 1.00 O ATOM 444 CB ALA A 29 117.576 13.060 5.976 1.00 1.00 C ATOM 0 H ALA A 29 117.879 11.245 7.541 1.00 1.00 H new ATOM 0 HA ALA A 29 118.554 13.923 7.738 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.467 14.005 5.444 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.476 12.551 5.630 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.707 12.432 5.782 1.00 1.00 H new ATOM 450 N LEU A 30 115.323 13.371 7.858 1.00 1.00 N ATOM 451 CA LEU A 30 114.058 13.999 8.136 1.00 1.00 C ATOM 452 C LEU A 30 114.003 14.551 9.540 1.00 1.00 C ATOM 453 O LEU A 30 113.480 15.634 9.761 1.00 1.00 O ATOM 454 CB LEU A 30 112.924 13.005 7.916 1.00 1.00 C ATOM 455 CG LEU A 30 112.791 12.714 6.420 1.00 1.00 C ATOM 456 CD1 LEU A 30 112.181 11.331 6.234 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.857 13.742 5.767 1.00 1.00 C ATOM 0 H LEU A 30 115.276 12.367 7.683 1.00 1.00 H new ATOM 0 HA LEU A 30 113.944 14.837 7.449 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.123 12.082 8.462 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.989 13.410 8.304 1.00 1.00 H new ATOM 0 HG LEU A 30 113.778 12.765 5.960 1.00 1.00 H new ATOM 0 HD11 LEU A 30 112.083 11.117 5.170 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.826 10.584 6.697 1.00 1.00 H new ATOM 0 HD13 LEU A 30 111.197 11.301 6.702 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.768 13.528 4.702 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.873 13.686 6.232 1.00 1.00 H new ATOM 0 HD23 LEU A 30 112.266 14.743 5.903 1.00 1.00 H new ATOM 469 N GLU A 31 114.544 13.817 10.493 1.00 1.00 N ATOM 470 CA GLU A 31 114.501 14.285 11.858 1.00 1.00 C ATOM 471 C GLU A 31 115.241 15.589 11.985 1.00 1.00 C ATOM 472 O GLU A 31 114.796 16.509 12.655 1.00 1.00 O ATOM 473 CB GLU A 31 115.115 13.284 12.837 1.00 1.00 C ATOM 474 CG GLU A 31 115.255 11.944 12.157 1.00 1.00 C ATOM 475 CD GLU A 31 115.673 10.882 13.167 1.00 1.00 C ATOM 476 OE1 GLU A 31 116.760 11.003 13.707 1.00 1.00 O ATOM 477 OE2 GLU A 31 114.904 9.958 13.382 1.00 1.00 O ATOM 0 H GLU A 31 115.006 12.919 10.351 1.00 1.00 H new ATOM 0 HA GLU A 31 113.448 14.413 12.110 1.00 1.00 H new ATOM 0 HB2 GLU A 31 116.090 13.638 13.173 1.00 1.00 H new ATOM 0 HB3 GLU A 31 114.486 13.191 13.723 1.00 1.00 H new ATOM 0 HG2 GLU A 31 114.310 11.663 11.693 1.00 1.00 H new ATOM 0 HG3 GLU A 31 115.995 12.009 11.359 1.00 1.00 H new ATOM 484 N HIS A 32 116.367 15.665 11.300 1.00 1.00 N ATOM 485 CA HIS A 32 117.155 16.873 11.330 1.00 1.00 C ATOM 486 C HIS A 32 116.385 18.031 10.698 1.00 1.00 C ATOM 487 O HIS A 32 116.363 19.136 11.235 1.00 1.00 O ATOM 488 CB HIS A 32 118.476 16.646 10.593 1.00 1.00 C ATOM 489 CG HIS A 32 119.374 15.794 11.451 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.336 14.410 11.403 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.312 16.108 12.406 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.222 13.948 12.303 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.842 14.939 12.944 1.00 1.00 N ATOM 0 H HIS A 32 116.749 14.914 10.725 1.00 1.00 H new ATOM 0 HA HIS A 32 117.366 17.131 12.368 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.294 16.157 9.636 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.956 17.601 10.377 1.00 1.00 H new ATOM 0 HD1 HIS A 32 118.744 13.844 10.795 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.595 17.110 12.695 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.409 12.900 12.485 1.00 1.00 H new ATOM 501 N SER A 33 115.776 17.781 9.542 1.00 1.00 N ATOM 502 CA SER A 33 115.028 18.806 8.831 1.00 1.00 C ATOM 503 C SER A 33 113.803 19.263 9.605 1.00 1.00 C ATOM 504 O SER A 33 113.458 20.442 9.577 1.00 1.00 O ATOM 505 CB SER A 33 114.633 18.284 7.457 1.00 1.00 C ATOM 506 OG SER A 33 115.822 17.939 6.776 1.00 1.00 O ATOM 0 H SER A 33 115.788 16.872 9.079 1.00 1.00 H new ATOM 0 HA SER A 33 115.672 19.678 8.720 1.00 1.00 H new ATOM 0 HB2 SER A 33 113.979 17.417 7.550 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.080 19.043 6.903 1.00 1.00 H new ATOM 0 HG SER A 33 116.206 18.740 6.363 1.00 1.00 H new ATOM 512 N LYS A 34 113.158 18.348 10.323 1.00 1.00 N ATOM 513 CA LYS A 34 112.001 18.728 11.108 1.00 1.00 C ATOM 514 C LYS A 34 112.428 19.795 12.082 1.00 1.00 C ATOM 515 O LYS A 34 111.637 20.648 12.489 1.00 1.00 O ATOM 516 CB LYS A 34 111.445 17.530 11.879 1.00 1.00 C ATOM 517 CG LYS A 34 110.800 16.549 10.896 1.00 1.00 C ATOM 518 CD LYS A 34 110.537 15.203 11.578 1.00 1.00 C ATOM 519 CE LYS A 34 110.605 14.086 10.537 1.00 1.00 C ATOM 520 NZ LYS A 34 109.758 12.944 10.980 1.00 1.00 N ATOM 0 H LYS A 34 113.413 17.362 10.374 1.00 1.00 H new ATOM 0 HA LYS A 34 111.218 19.096 10.445 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.244 17.036 12.431 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.710 17.864 12.612 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.864 16.963 10.521 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.453 16.406 10.035 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.274 15.030 12.362 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.558 15.210 12.057 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.262 14.454 9.570 1.00 1.00 H new ATOM 0 HE3 LYS A 34 111.636 13.759 10.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 109.803 12.183 10.272 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 110.105 12.588 11.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.773 13.262 11.084 1.00 1.00 H new ATOM 534 N GLN A 35 113.688 19.703 12.495 1.00 1.00 N ATOM 535 CA GLN A 35 114.210 20.641 13.480 1.00 1.00 C ATOM 536 C GLN A 35 114.971 21.786 12.848 1.00 1.00 C ATOM 537 O GLN A 35 114.841 22.936 13.270 1.00 1.00 O ATOM 538 CB GLN A 35 115.162 19.916 14.415 1.00 1.00 C ATOM 539 CG GLN A 35 114.465 18.698 14.977 1.00 1.00 C ATOM 540 CD GLN A 35 115.404 17.955 15.915 1.00 1.00 C ATOM 541 OE1 GLN A 35 116.505 18.429 16.196 1.00 1.00 O ATOM 542 NE2 GLN A 35 115.033 16.815 16.426 1.00 1.00 N ATOM 0 H GLN A 35 114.355 19.003 12.170 1.00 1.00 H new ATOM 0 HA GLN A 35 113.350 21.047 14.013 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.064 19.620 13.879 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.474 20.578 15.223 1.00 1.00 H new ATOM 0 HG2 GLN A 35 113.564 18.998 15.512 1.00 1.00 H new ATOM 0 HG3 GLN A 35 114.151 18.041 14.166 1.00 1.00 H new ATOM 0 HE21 GLN A 35 114.120 16.424 16.192 1.00 1.00 H new ATOM 0 HE22 GLN A 35 115.655 16.314 17.060 1.00 1.00 H new ATOM 551 N ASP A 36 115.794 21.473 11.863 1.00 1.00 N ATOM 552 CA ASP A 36 116.615 22.495 11.213 1.00 1.00 C ATOM 553 C ASP A 36 115.971 23.084 9.962 1.00 1.00 C ATOM 554 O ASP A 36 116.352 24.170 9.524 1.00 1.00 O ATOM 555 CB ASP A 36 117.971 21.903 10.832 1.00 1.00 C ATOM 556 CG ASP A 36 118.796 21.636 12.086 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.512 22.249 13.102 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.709 20.830 12.009 1.00 1.00 O ATOM 0 H ASP A 36 115.916 20.530 11.494 1.00 1.00 H new ATOM 0 HA ASP A 36 116.726 23.304 11.936 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.829 20.976 10.276 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.505 22.590 10.175 1.00 1.00 H new ATOM 563 N HIS A 37 114.987 22.381 9.403 1.00 1.00 N ATOM 564 CA HIS A 37 114.269 22.850 8.216 1.00 1.00 C ATOM 565 C HIS A 37 115.129 22.808 6.954 1.00 1.00 C ATOM 566 O HIS A 37 114.773 23.404 5.938 1.00 1.00 O ATOM 567 CB HIS A 37 113.751 24.276 8.439 1.00 1.00 C ATOM 568 CG HIS A 37 113.140 24.373 9.810 1.00 1.00 C ATOM 569 ND1 HIS A 37 111.924 23.784 10.116 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.569 24.971 10.970 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.665 24.036 11.413 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.637 24.759 11.981 1.00 1.00 N ATOM 0 H HIS A 37 114.666 21.479 9.755 1.00 1.00 H new ATOM 0 HA HIS A 37 113.432 22.169 8.064 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.567 24.992 8.340 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.011 24.530 7.680 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.491 25.523 11.081 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.781 23.696 11.932 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.684 25.084 12.947 1.00 1.00 H new ATOM 580 N LYS A 38 116.264 22.119 7.017 1.00 1.00 N ATOM 581 CA LYS A 38 117.152 22.046 5.860 1.00 1.00 C ATOM 582 C LYS A 38 116.627 21.050 4.798 1.00 1.00 C ATOM 583 O LYS A 38 116.238 19.938 5.153 1.00 1.00 O ATOM 584 CB LYS A 38 118.538 21.601 6.318 1.00 1.00 C ATOM 585 CG LYS A 38 119.214 22.742 7.081 1.00 1.00 C ATOM 586 CD LYS A 38 120.115 23.531 6.129 1.00 1.00 C ATOM 587 CE LYS A 38 120.769 24.690 6.887 1.00 1.00 C ATOM 588 NZ LYS A 38 122.057 24.231 7.481 1.00 1.00 N ATOM 0 H LYS A 38 116.587 21.611 7.840 1.00 1.00 H new ATOM 0 HA LYS A 38 117.196 23.036 5.406 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.457 20.721 6.956 1.00 1.00 H new ATOM 0 HB3 LYS A 38 119.143 21.316 5.457 1.00 1.00 H new ATOM 0 HG2 LYS A 38 118.461 23.400 7.514 1.00 1.00 H new ATOM 0 HG3 LYS A 38 119.802 22.343 7.907 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.881 22.878 5.711 1.00 1.00 H new ATOM 0 HD3 LYS A 38 119.531 23.914 5.292 1.00 1.00 H new ATOM 0 HE2 LYS A 38 120.946 25.527 6.211 1.00 1.00 H new ATOM 0 HE3 LYS A 38 120.102 25.048 7.671 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 122.392 24.934 8.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 121.913 23.319 7.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 122.766 24.119 6.728 1.00 1.00 H new ATOM 602 N PRO A 39 116.625 21.399 3.509 1.00 1.00 N ATOM 603 CA PRO A 39 116.158 20.466 2.430 1.00 1.00 C ATOM 604 C PRO A 39 116.992 19.183 2.361 1.00 1.00 C ATOM 605 O PRO A 39 118.174 19.180 2.707 1.00 1.00 O ATOM 606 CB PRO A 39 116.330 21.238 1.119 1.00 1.00 C ATOM 607 CG PRO A 39 116.629 22.653 1.475 1.00 1.00 C ATOM 608 CD PRO A 39 117.039 22.698 2.947 1.00 1.00 C ATOM 0 HA PRO A 39 115.130 20.160 2.624 1.00 1.00 H new ATOM 0 HB2 PRO A 39 117.139 20.812 0.525 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.425 21.177 0.515 1.00 1.00 H new ATOM 0 HG2 PRO A 39 117.429 23.043 0.845 1.00 1.00 H new ATOM 0 HG3 PRO A 39 115.755 23.281 1.304 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.114 22.846 3.051 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.552 23.524 3.465 1.00 1.00 H new ATOM 616 N ILE A 40 116.360 18.098 1.906 1.00 1.00 N ATOM 617 CA ILE A 40 117.037 16.805 1.795 1.00 1.00 C ATOM 618 C ILE A 40 117.236 16.429 0.328 1.00 1.00 C ATOM 619 O ILE A 40 116.290 16.479 -0.454 1.00 1.00 O ATOM 620 CB ILE A 40 116.194 15.706 2.431 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.399 16.261 3.621 1.00 1.00 C ATOM 622 CG2 ILE A 40 117.119 14.589 2.913 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.558 15.135 4.232 1.00 1.00 C ATOM 0 H ILE A 40 115.384 18.090 1.610 1.00 1.00 H new ATOM 0 HA ILE A 40 117.998 16.896 2.302 1.00 1.00 H new ATOM 0 HB ILE A 40 115.491 15.320 1.692 1.00 1.00 H new ATOM 0 HG12 ILE A 40 116.078 16.671 4.368 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.754 17.077 3.295 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.526 13.797 3.370 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.673 14.185 2.066 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.819 14.988 3.647 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.991 15.523 5.078 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.870 14.746 3.481 1.00 1.00 H new ATOM 0 HD13 ILE A 40 115.214 14.334 4.572 1.00 1.00 H new ATOM 635 N GLY A 41 118.443 16.004 -0.025 1.00 1.00 N ATOM 636 CA GLY A 41 118.722 15.574 -1.390 1.00 1.00 C ATOM 637 C GLY A 41 118.866 14.051 -1.447 1.00 1.00 C ATOM 638 O GLY A 41 119.801 13.490 -0.874 1.00 1.00 O ATOM 0 H GLY A 41 119.239 15.948 0.610 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.917 15.895 -2.052 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.637 16.046 -1.748 1.00 1.00 H new ATOM 642 N LEU A 42 117.964 13.394 -2.181 1.00 1.00 N ATOM 643 CA LEU A 42 118.036 11.954 -2.356 1.00 1.00 C ATOM 644 C LEU A 42 118.800 11.662 -3.636 1.00 1.00 C ATOM 645 O LEU A 42 118.358 12.017 -4.728 1.00 1.00 O ATOM 646 CB LEU A 42 116.646 11.325 -2.540 1.00 1.00 C ATOM 647 CG LEU A 42 115.760 11.478 -1.302 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.637 12.930 -0.884 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.357 10.963 -1.633 1.00 1.00 C ATOM 0 H LEU A 42 117.181 13.840 -2.659 1.00 1.00 H new ATOM 0 HA LEU A 42 118.513 11.542 -1.467 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.152 11.788 -3.394 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.759 10.266 -2.772 1.00 1.00 H new ATOM 0 HG LEU A 42 116.214 10.912 -0.489 1.00 1.00 H new ATOM 0 HD11 LEU A 42 115.001 13.002 -0.002 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.625 13.327 -0.652 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.196 13.507 -1.697 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.715 11.067 -0.758 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.942 11.542 -2.458 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.413 9.913 -1.919 1.00 1.00 H new ATOM 661 N PHE A 43 119.945 11.018 -3.495 1.00 1.00 N ATOM 662 CA PHE A 43 120.767 10.686 -4.649 1.00 1.00 C ATOM 663 C PHE A 43 120.366 9.300 -5.154 1.00 1.00 C ATOM 664 O PHE A 43 120.763 8.285 -4.583 1.00 1.00 O ATOM 665 CB PHE A 43 122.244 10.726 -4.224 1.00 1.00 C ATOM 666 CG PHE A 43 123.173 10.785 -5.417 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.110 11.866 -6.310 1.00 1.00 C ATOM 668 CD2 PHE A 43 124.124 9.773 -5.611 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.988 11.927 -7.395 1.00 1.00 C ATOM 670 CE2 PHE A 43 125.005 9.841 -6.693 1.00 1.00 C ATOM 671 CZ PHE A 43 124.936 10.916 -7.587 1.00 1.00 C ATOM 0 H PHE A 43 120.327 10.715 -2.599 1.00 1.00 H new ATOM 0 HA PHE A 43 120.621 11.401 -5.459 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.415 11.594 -3.587 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.474 9.843 -3.628 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.383 12.650 -6.158 1.00 1.00 H new ATOM 0 HD2 PHE A 43 124.175 8.941 -4.924 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.935 12.755 -8.086 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.740 9.063 -6.840 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.615 10.965 -8.425 1.00 1.00 H new ATOM 681 N PHE A 44 119.600 9.260 -6.246 1.00 1.00 N ATOM 682 CA PHE A 44 119.166 8.001 -6.853 1.00 1.00 C ATOM 683 C PHE A 44 120.174 7.615 -7.923 1.00 1.00 C ATOM 684 O PHE A 44 120.385 8.381 -8.860 1.00 1.00 O ATOM 685 CB PHE A 44 117.788 8.180 -7.489 1.00 1.00 C ATOM 686 CG PHE A 44 116.729 8.197 -6.414 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.260 6.991 -5.873 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.204 9.417 -5.967 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.270 7.007 -4.885 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.212 9.429 -4.982 1.00 1.00 C ATOM 691 CZ PHE A 44 114.745 8.225 -4.443 1.00 1.00 C ATOM 0 H PHE A 44 119.265 10.093 -6.731 1.00 1.00 H new ATOM 0 HA PHE A 44 119.103 7.222 -6.093 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.757 9.109 -8.058 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.593 7.370 -8.192 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.663 6.051 -6.219 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.565 10.346 -6.383 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.912 6.079 -4.464 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.806 10.368 -4.637 1.00 1.00 H new ATOM 0 HZ PHE A 44 113.977 8.237 -3.684 1.00 1.00 H new ATOM 701 N THR A 45 120.806 6.443 -7.784 1.00 1.00 N ATOM 702 CA THR A 45 121.809 6.042 -8.777 1.00 1.00 C ATOM 703 C THR A 45 122.039 4.530 -8.901 1.00 1.00 C ATOM 704 O THR A 45 121.417 3.718 -8.215 1.00 1.00 O ATOM 705 CB THR A 45 123.142 6.709 -8.432 1.00 1.00 C ATOM 706 OG1 THR A 45 123.454 6.461 -7.069 1.00 1.00 O ATOM 707 CG2 THR A 45 123.056 8.220 -8.676 1.00 1.00 C ATOM 0 H THR A 45 120.650 5.779 -7.026 1.00 1.00 H new ATOM 0 HA THR A 45 121.413 6.366 -9.740 1.00 1.00 H new ATOM 0 HB THR A 45 123.924 6.294 -9.068 1.00 1.00 H new ATOM 0 HG1 THR A 45 122.982 5.657 -6.767 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.011 8.684 -8.427 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.825 8.407 -9.725 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.272 8.646 -8.050 1.00 1.00 H new ATOM 715 N GLY A 46 123.017 4.194 -9.745 1.00 1.00 N ATOM 716 CA GLY A 46 123.478 2.828 -9.964 1.00 1.00 C ATOM 717 C GLY A 46 124.993 2.878 -9.884 1.00 1.00 C ATOM 718 O GLY A 46 125.678 3.149 -10.873 1.00 1.00 O ATOM 0 H GLY A 46 123.519 4.882 -10.306 1.00 1.00 H new ATOM 0 HA2 GLY A 46 123.070 2.153 -9.211 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.151 2.457 -10.935 1.00 1.00 H new ATOM 722 N SER A 47 125.499 2.705 -8.675 1.00 1.00 N ATOM 723 CA SER A 47 126.923 2.819 -8.409 1.00 1.00 C ATOM 724 C SER A 47 127.809 1.909 -9.248 1.00 1.00 C ATOM 725 O SER A 47 128.945 2.282 -9.550 1.00 1.00 O ATOM 726 CB SER A 47 127.183 2.531 -6.935 1.00 1.00 C ATOM 727 OG SER A 47 126.653 3.592 -6.151 1.00 1.00 O ATOM 0 H SER A 47 124.937 2.482 -7.853 1.00 1.00 H new ATOM 0 HA SER A 47 127.191 3.839 -8.684 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.721 1.586 -6.650 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.253 2.429 -6.755 1.00 1.00 H new ATOM 0 HG SER A 47 126.305 3.233 -5.308 1.00 1.00 H new ATOM 733 N ASP A 48 127.347 0.703 -9.585 1.00 1.00 N ATOM 734 CA ASP A 48 128.184 -0.227 -10.334 1.00 1.00 C ATOM 735 C ASP A 48 127.831 -0.335 -11.816 1.00 1.00 C ATOM 736 O ASP A 48 128.529 -1.050 -12.536 1.00 1.00 O ATOM 737 CB ASP A 48 128.073 -1.616 -9.707 1.00 1.00 C ATOM 738 CG ASP A 48 128.680 -1.618 -8.307 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.504 -0.762 -8.038 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.314 -2.483 -7.528 1.00 1.00 O ATOM 0 H ASP A 48 126.416 0.355 -9.355 1.00 1.00 H new ATOM 0 HA ASP A 48 129.198 0.168 -10.280 1.00 1.00 H new ATOM 0 HB2 ASP A 48 127.027 -1.917 -9.657 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.585 -2.347 -10.333 1.00 1.00 H new ATOM 745 N TRP A 49 126.749 0.307 -12.283 1.00 1.00 N ATOM 746 CA TRP A 49 126.385 0.150 -13.701 1.00 1.00 C ATOM 747 C TRP A 49 126.029 1.442 -14.428 1.00 1.00 C ATOM 748 O TRP A 49 126.068 1.478 -15.657 1.00 1.00 O ATOM 749 CB TRP A 49 125.217 -0.829 -13.832 1.00 1.00 C ATOM 750 CG TRP A 49 124.096 -0.420 -12.929 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.146 -0.452 -11.581 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.762 0.068 -13.278 1.00 1.00 C ATOM 753 NE1 TRP A 49 122.936 -0.026 -11.078 1.00 1.00 N ATOM 754 CE2 TRP A 49 122.047 0.309 -12.081 1.00 1.00 C ATOM 755 CE3 TRP A 49 122.106 0.321 -14.500 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.734 0.785 -12.092 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.783 0.800 -14.514 1.00 1.00 C ATOM 758 CH2 TRP A 49 120.099 1.030 -13.311 1.00 1.00 C ATOM 0 H TRP A 49 126.138 0.911 -11.733 1.00 1.00 H new ATOM 0 HA TRP A 49 127.287 -0.228 -14.183 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.870 -0.856 -14.865 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.548 -1.837 -13.580 1.00 1.00 H new ATOM 0 HD1 TRP A 49 124.997 -0.761 -10.992 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.722 0.035 -10.083 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.623 0.146 -15.432 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.213 0.963 -11.163 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.291 0.992 -15.456 1.00 1.00 H new ATOM 0 HH2 TRP A 49 119.083 1.396 -13.328 1.00 1.00 H new ATOM 769 N CYS A 50 125.678 2.501 -13.712 1.00 1.00 N ATOM 770 CA CYS A 50 125.321 3.756 -14.360 1.00 1.00 C ATOM 771 C CYS A 50 126.538 4.678 -14.456 1.00 1.00 C ATOM 772 O CYS A 50 127.065 5.151 -13.446 1.00 1.00 O ATOM 773 CB CYS A 50 124.204 4.423 -13.570 1.00 1.00 C ATOM 774 SG CYS A 50 123.919 6.089 -14.197 1.00 1.00 S ATOM 0 H CYS A 50 125.633 2.518 -12.693 1.00 1.00 H new ATOM 0 HA CYS A 50 124.976 3.554 -15.374 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.290 3.834 -13.648 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.468 4.463 -12.513 1.00 1.00 H new ATOM 779 N MET A 51 126.989 4.908 -15.684 1.00 1.00 N ATOM 780 CA MET A 51 128.157 5.741 -15.926 1.00 1.00 C ATOM 781 C MET A 51 127.851 7.216 -15.717 1.00 1.00 C ATOM 782 O MET A 51 128.647 7.935 -15.119 1.00 1.00 O ATOM 783 CB MET A 51 128.643 5.515 -17.358 1.00 1.00 C ATOM 784 CG MET A 51 129.924 6.312 -17.605 1.00 1.00 C ATOM 785 SD MET A 51 130.539 5.954 -19.267 1.00 1.00 S ATOM 786 CE MET A 51 129.618 7.256 -20.118 1.00 1.00 C ATOM 0 H MET A 51 126.561 4.527 -16.528 1.00 1.00 H new ATOM 0 HA MET A 51 128.931 5.460 -15.212 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.827 4.454 -17.526 1.00 1.00 H new ATOM 0 HB3 MET A 51 127.872 5.821 -18.065 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.728 7.379 -17.499 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.677 6.051 -16.862 1.00 1.00 H new ATOM 0 HE1 MET A 51 129.846 7.226 -21.183 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.549 7.101 -19.971 1.00 1.00 H new ATOM 0 HE3 MET A 51 129.903 8.227 -19.713 1.00 1.00 H new ATOM 796 N TRP A 52 126.702 7.669 -16.199 1.00 1.00 N ATOM 797 CA TRP A 52 126.325 9.063 -16.043 1.00 1.00 C ATOM 798 C TRP A 52 126.233 9.398 -14.563 1.00 1.00 C ATOM 799 O TRP A 52 126.502 10.526 -14.149 1.00 1.00 O ATOM 800 CB TRP A 52 124.969 9.323 -16.700 1.00 1.00 C ATOM 801 CG TRP A 52 125.082 9.189 -18.185 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.774 10.028 -18.991 1.00 1.00 C ATOM 803 CD2 TRP A 52 124.495 8.178 -19.051 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.654 9.591 -20.296 1.00 1.00 N ATOM 805 CE2 TRP A 52 124.873 8.455 -20.386 1.00 1.00 C ATOM 806 CE3 TRP A 52 123.679 7.054 -18.813 1.00 1.00 C ATOM 807 CZ2 TRP A 52 124.460 7.645 -21.445 1.00 1.00 C ATOM 808 CZ3 TRP A 52 123.259 6.241 -19.877 1.00 1.00 C ATOM 809 CH2 TRP A 52 123.648 6.536 -21.192 1.00 1.00 C ATOM 0 H TRP A 52 126.021 7.096 -16.697 1.00 1.00 H new ATOM 0 HA TRP A 52 127.079 9.687 -16.522 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.231 8.618 -16.319 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.618 10.322 -16.443 1.00 1.00 H new ATOM 0 HD1 TRP A 52 126.329 10.896 -18.667 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.089 10.051 -21.096 1.00 1.00 H new ATOM 0 HE3 TRP A 52 123.375 6.816 -17.804 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 124.766 7.874 -22.455 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 122.633 5.383 -19.682 1.00 1.00 H new ATOM 0 HH2 TRP A 52 123.321 5.908 -22.007 1.00 1.00 H new ATOM 820 N CYS A 53 125.852 8.402 -13.777 1.00 1.00 N ATOM 821 CA CYS A 53 125.722 8.588 -12.343 1.00 1.00 C ATOM 822 C CYS A 53 127.085 8.791 -11.722 1.00 1.00 C ATOM 823 O CYS A 53 127.255 9.638 -10.849 1.00 1.00 O ATOM 824 CB CYS A 53 125.028 7.388 -11.714 1.00 1.00 C ATOM 825 SG CYS A 53 123.437 7.120 -12.534 1.00 1.00 S ATOM 0 H CYS A 53 125.629 7.463 -14.107 1.00 1.00 H new ATOM 0 HA CYS A 53 125.115 9.474 -12.158 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.653 6.500 -11.809 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.877 7.558 -10.648 1.00 1.00 H new ATOM 830 N ILE A 54 128.061 8.032 -12.192 1.00 1.00 N ATOM 831 CA ILE A 54 129.399 8.189 -11.676 1.00 1.00 C ATOM 832 C ILE A 54 129.845 9.600 -12.002 1.00 1.00 C ATOM 833 O ILE A 54 130.447 10.274 -11.170 1.00 1.00 O ATOM 834 CB ILE A 54 130.355 7.182 -12.307 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.958 5.767 -11.869 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.783 7.473 -11.840 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.759 4.721 -12.654 1.00 1.00 C ATOM 0 H ILE A 54 127.952 7.319 -12.913 1.00 1.00 H new ATOM 0 HA ILE A 54 129.406 8.012 -10.600 1.00 1.00 H new ATOM 0 HB ILE A 54 130.304 7.260 -13.393 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.138 5.646 -10.801 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.891 5.615 -12.032 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.467 6.754 -12.291 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.066 8.481 -12.142 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.834 7.392 -10.754 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.466 3.722 -12.332 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.557 4.833 -13.719 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.824 4.864 -12.469 1.00 1.00 H new ATOM 849 N LYS A 55 129.567 10.046 -13.237 1.00 1.00 N ATOM 850 CA LYS A 55 129.968 11.376 -13.661 1.00 1.00 C ATOM 851 C LYS A 55 129.326 12.439 -12.781 1.00 1.00 C ATOM 852 O LYS A 55 130.008 13.362 -12.336 1.00 1.00 O ATOM 853 CB LYS A 55 129.571 11.635 -15.126 1.00 1.00 C ATOM 854 CG LYS A 55 130.256 10.652 -16.097 1.00 1.00 C ATOM 855 CD LYS A 55 131.780 10.841 -16.128 1.00 1.00 C ATOM 856 CE LYS A 55 132.365 9.896 -17.178 1.00 1.00 C ATOM 857 NZ LYS A 55 133.846 10.030 -17.195 1.00 1.00 N ATOM 0 H LYS A 55 129.071 9.504 -13.945 1.00 1.00 H new ATOM 0 HA LYS A 55 131.053 11.432 -13.569 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.489 11.550 -15.228 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.837 12.656 -15.398 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.024 9.629 -15.801 1.00 1.00 H new ATOM 0 HG3 LYS A 55 129.853 10.793 -17.100 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.029 11.875 -16.368 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.208 10.630 -15.148 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.085 8.867 -16.953 1.00 1.00 H new ATOM 0 HE3 LYS A 55 131.957 10.130 -18.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.245 9.387 -17.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.103 11.010 -17.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.227 9.786 -16.259 1.00 1.00 H new ATOM 871 N MET A 56 128.020 12.322 -12.511 1.00 1.00 N ATOM 872 CA MET A 56 127.360 13.306 -11.671 1.00 1.00 C ATOM 873 C MET A 56 127.987 13.283 -10.296 1.00 1.00 C ATOM 874 O MET A 56 128.269 14.322 -9.700 1.00 1.00 O ATOM 875 CB MET A 56 125.859 13.019 -11.551 1.00 1.00 C ATOM 876 CG MET A 56 125.221 14.078 -10.644 1.00 1.00 C ATOM 877 SD MET A 56 123.420 13.969 -10.741 1.00 1.00 S ATOM 878 CE MET A 56 123.061 15.138 -9.410 1.00 1.00 C ATOM 0 H MET A 56 127.419 11.573 -12.856 1.00 1.00 H new ATOM 0 HA MET A 56 127.483 14.288 -12.128 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.392 13.036 -12.536 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.698 12.023 -11.139 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.548 13.932 -9.614 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.550 15.073 -10.945 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.556 14.618 -8.596 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.993 15.569 -9.043 1.00 1.00 H new ATOM 0 HE3 MET A 56 122.417 15.933 -9.787 1.00 1.00 H new ATOM 888 N GLN A 57 128.199 12.070 -9.804 1.00 1.00 N ATOM 889 CA GLN A 57 128.787 11.871 -8.499 1.00 1.00 C ATOM 890 C GLN A 57 130.241 12.333 -8.464 1.00 1.00 C ATOM 891 O GLN A 57 130.641 13.051 -7.549 1.00 1.00 O ATOM 892 CB GLN A 57 128.688 10.391 -8.132 1.00 1.00 C ATOM 893 CG GLN A 57 129.732 10.060 -7.079 1.00 1.00 C ATOM 894 CD GLN A 57 129.393 8.736 -6.405 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.233 8.324 -6.395 1.00 1.00 O ATOM 896 NE2 GLN A 57 130.341 8.037 -5.842 1.00 1.00 N ATOM 0 H GLN A 57 127.969 11.208 -10.298 1.00 1.00 H new ATOM 0 HA GLN A 57 128.240 12.471 -7.772 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.691 10.165 -7.755 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.841 9.775 -9.018 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.718 10.001 -7.539 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.775 10.856 -6.335 1.00 1.00 H new ATOM 0 HE21 GLN A 57 131.302 8.380 -5.851 1.00 1.00 H new ATOM 0 HE22 GLN A 57 130.121 7.148 -5.393 1.00 1.00 H new ATOM 905 N ASP A 58 131.033 11.918 -9.428 1.00 1.00 N ATOM 906 CA ASP A 58 132.439 12.294 -9.440 1.00 1.00 C ATOM 907 C ASP A 58 132.632 13.784 -9.724 1.00 1.00 C ATOM 908 O ASP A 58 133.552 14.400 -9.187 1.00 1.00 O ATOM 909 CB ASP A 58 133.159 11.487 -10.514 1.00 1.00 C ATOM 910 CG ASP A 58 134.658 11.773 -10.484 1.00 1.00 C ATOM 911 OD1 ASP A 58 135.071 12.601 -9.691 1.00 1.00 O ATOM 912 OD2 ASP A 58 135.370 11.150 -11.255 1.00 1.00 O ATOM 0 H ASP A 58 130.738 11.328 -10.206 1.00 1.00 H new ATOM 0 HA ASP A 58 132.850 12.085 -8.452 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.983 10.423 -10.357 1.00 1.00 H new ATOM 0 HB3 ASP A 58 132.755 11.735 -11.496 1.00 1.00 H new ATOM 917 N GLN A 59 131.813 14.351 -10.606 1.00 1.00 N ATOM 918 CA GLN A 59 131.993 15.757 -10.968 1.00 1.00 C ATOM 919 C GLN A 59 131.201 16.762 -10.118 1.00 1.00 C ATOM 920 O GLN A 59 131.613 17.918 -10.048 1.00 1.00 O ATOM 921 CB GLN A 59 131.639 15.984 -12.443 1.00 1.00 C ATOM 922 CG GLN A 59 132.631 15.229 -13.336 1.00 1.00 C ATOM 923 CD GLN A 59 132.278 15.432 -14.811 1.00 1.00 C ATOM 924 OE1 GLN A 59 131.367 16.193 -15.130 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.948 14.791 -15.735 1.00 1.00 N ATOM 0 H GLN A 59 131.040 13.877 -11.072 1.00 1.00 H new ATOM 0 HA GLN A 59 133.048 15.950 -10.773 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.624 15.640 -12.640 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.666 17.049 -12.673 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.644 15.583 -13.145 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.613 14.166 -13.094 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.704 14.159 -15.471 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.714 14.923 -16.719 1.00 1.00 H new ATOM 934 N ILE A 60 130.058 16.377 -9.522 1.00 1.00 N ATOM 935 CA ILE A 60 129.268 17.363 -8.749 1.00 1.00 C ATOM 936 C ILE A 60 129.186 17.045 -7.260 1.00 1.00 C ATOM 937 O ILE A 60 129.509 17.904 -6.442 1.00 1.00 O ATOM 938 CB ILE A 60 127.842 17.465 -9.314 1.00 1.00 C ATOM 939 CG1 ILE A 60 127.923 17.952 -10.762 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.015 18.462 -8.478 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.537 17.890 -11.403 1.00 1.00 C ATOM 0 H ILE A 60 129.670 15.434 -9.554 1.00 1.00 H new ATOM 0 HA ILE A 60 129.794 18.312 -8.851 1.00 1.00 H new ATOM 0 HB ILE A 60 127.359 16.488 -9.274 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.303 18.973 -10.792 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.623 17.335 -11.325 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.006 18.529 -8.885 1.00 1.00 H new ATOM 0 HG22 ILE A 60 126.968 18.119 -7.445 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.486 19.444 -8.513 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.597 18.237 -12.434 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.174 16.862 -11.387 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.850 18.526 -10.845 1.00 1.00 H new ATOM 953 N LEU A 61 128.735 15.860 -6.886 1.00 1.00 N ATOM 954 CA LEU A 61 128.604 15.532 -5.471 1.00 1.00 C ATOM 955 C LEU A 61 129.961 15.574 -4.772 1.00 1.00 C ATOM 956 O LEU A 61 130.068 16.017 -3.629 1.00 1.00 O ATOM 957 CB LEU A 61 127.998 14.135 -5.273 1.00 1.00 C ATOM 958 CG LEU A 61 126.507 14.088 -5.668 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.640 14.828 -4.654 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.286 14.738 -7.022 1.00 1.00 C ATOM 0 H LEU A 61 128.457 15.118 -7.528 1.00 1.00 H new ATOM 0 HA LEU A 61 127.941 16.279 -5.035 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.554 13.411 -5.869 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.106 13.838 -4.230 1.00 1.00 H new ATOM 0 HG LEU A 61 126.226 13.035 -5.700 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.596 14.776 -4.962 1.00 1.00 H new ATOM 0 HD12 LEU A 61 125.753 14.366 -3.673 1.00 1.00 H new ATOM 0 HD13 LEU A 61 125.951 15.871 -4.602 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.228 14.693 -7.279 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.606 15.779 -6.982 1.00 1.00 H new ATOM 0 HD23 LEU A 61 126.866 14.209 -7.778 1.00 1.00 H new ATOM 972 N GLN A 62 130.996 15.084 -5.456 1.00 1.00 N ATOM 973 CA GLN A 62 132.339 15.042 -4.890 1.00 1.00 C ATOM 974 C GLN A 62 133.121 16.329 -5.155 1.00 1.00 C ATOM 975 O GLN A 62 134.293 16.429 -4.797 1.00 1.00 O ATOM 976 CB GLN A 62 133.106 13.858 -5.479 1.00 1.00 C ATOM 977 CG GLN A 62 132.535 12.554 -4.931 1.00 1.00 C ATOM 978 CD GLN A 62 133.353 11.382 -5.453 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.366 11.582 -6.122 1.00 1.00 O ATOM 980 NE2 GLN A 62 132.975 10.166 -5.183 1.00 1.00 N ATOM 0 H GLN A 62 130.927 14.711 -6.403 1.00 1.00 H new ATOM 0 HA GLN A 62 132.234 14.933 -3.811 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.034 13.870 -6.567 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.164 13.937 -5.229 1.00 1.00 H new ATOM 0 HG2 GLN A 62 132.553 12.567 -3.841 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.493 12.446 -5.232 1.00 1.00 H new ATOM 0 HE21 GLN A 62 132.135 10.005 -4.628 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.519 9.375 -5.526 1.00 1.00 H new ATOM 989 N SER A 63 132.483 17.298 -5.795 1.00 1.00 N ATOM 990 CA SER A 63 133.136 18.568 -6.111 1.00 1.00 C ATOM 991 C SER A 63 133.180 19.486 -4.889 1.00 1.00 C ATOM 992 O SER A 63 132.328 19.379 -4.011 1.00 1.00 O ATOM 993 CB SER A 63 132.347 19.256 -7.210 1.00 1.00 C ATOM 994 OG SER A 63 131.304 20.017 -6.618 1.00 1.00 O ATOM 0 H SER A 63 131.514 17.233 -6.107 1.00 1.00 H new ATOM 0 HA SER A 63 134.159 18.366 -6.429 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.001 19.903 -7.795 1.00 1.00 H new ATOM 0 HB3 SER A 63 131.932 18.517 -7.896 1.00 1.00 H new ATOM 0 HG SER A 63 130.483 19.482 -6.592 1.00 1.00 H new ATOM 1000 N SER A 64 134.186 20.360 -4.810 1.00 1.00 N ATOM 1001 CA SER A 64 134.336 21.247 -3.654 1.00 1.00 C ATOM 1002 C SER A 64 133.161 22.200 -3.448 1.00 1.00 C ATOM 1003 O SER A 64 132.717 22.386 -2.318 1.00 1.00 O ATOM 1004 CB SER A 64 135.624 22.062 -3.779 1.00 1.00 C ATOM 1005 OG SER A 64 136.739 21.191 -3.676 1.00 1.00 O ATOM 0 H SER A 64 134.903 20.472 -5.526 1.00 1.00 H new ATOM 0 HA SER A 64 134.371 20.594 -2.782 1.00 1.00 H new ATOM 0 HB2 SER A 64 135.645 22.587 -4.734 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.666 22.820 -2.997 1.00 1.00 H new ATOM 0 HG SER A 64 137.567 21.709 -3.757 1.00 1.00 H new ATOM 1011 N GLU A 65 132.665 22.827 -4.506 1.00 1.00 N ATOM 1012 CA GLU A 65 131.571 23.766 -4.338 1.00 1.00 C ATOM 1013 C GLU A 65 130.328 23.050 -3.818 1.00 1.00 C ATOM 1014 O GLU A 65 129.634 23.561 -2.939 1.00 1.00 O ATOM 1015 CB GLU A 65 131.261 24.463 -5.668 1.00 1.00 C ATOM 1016 CG GLU A 65 132.469 25.298 -6.123 1.00 1.00 C ATOM 1017 CD GLU A 65 133.519 24.403 -6.778 1.00 1.00 C ATOM 1018 OE1 GLU A 65 133.345 23.197 -6.749 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.472 24.938 -7.319 1.00 1.00 O ATOM 0 H GLU A 65 132.993 22.706 -5.464 1.00 1.00 H new ATOM 0 HA GLU A 65 131.870 24.518 -3.608 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.016 23.721 -6.428 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.387 25.105 -5.556 1.00 1.00 H new ATOM 0 HG2 GLU A 65 132.145 26.064 -6.827 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.905 25.815 -5.268 1.00 1.00 H new ATOM 1026 N PHE A 66 130.061 21.857 -4.339 1.00 1.00 N ATOM 1027 CA PHE A 66 128.913 21.077 -3.892 1.00 1.00 C ATOM 1028 C PHE A 66 129.036 20.687 -2.420 1.00 1.00 C ATOM 1029 O PHE A 66 128.064 20.757 -1.667 1.00 1.00 O ATOM 1030 CB PHE A 66 128.811 19.797 -4.713 1.00 1.00 C ATOM 1031 CG PHE A 66 127.513 19.104 -4.383 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.426 18.276 -3.256 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.394 19.298 -5.199 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.217 17.649 -2.945 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.184 18.668 -4.889 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.095 17.844 -3.763 1.00 1.00 C ATOM 0 H PHE A 66 130.620 21.411 -5.067 1.00 1.00 H new ATOM 0 HA PHE A 66 128.026 21.697 -4.023 1.00 1.00 H new ATOM 0 HB2 PHE A 66 128.854 20.028 -5.777 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.654 19.141 -4.494 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.292 18.123 -2.629 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.464 19.934 -6.069 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.147 17.014 -2.074 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.320 18.818 -5.519 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.161 17.357 -3.523 1.00 1.00 H new ATOM 1046 N LYS A 67 130.228 20.242 -2.032 1.00 1.00 N ATOM 1047 CA LYS A 67 130.459 19.805 -0.664 1.00 1.00 C ATOM 1048 C LYS A 67 130.222 20.938 0.319 1.00 1.00 C ATOM 1049 O LYS A 67 129.594 20.744 1.362 1.00 1.00 O ATOM 1050 CB LYS A 67 131.904 19.313 -0.477 1.00 1.00 C ATOM 1051 CG LYS A 67 132.127 17.941 -1.136 1.00 1.00 C ATOM 1052 CD LYS A 67 133.582 17.500 -0.887 1.00 1.00 C ATOM 1053 CE LYS A 67 133.846 16.104 -1.478 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.230 15.657 -1.123 1.00 1.00 N ATOM 0 H LYS A 67 131.042 20.176 -2.643 1.00 1.00 H new ATOM 0 HA LYS A 67 129.759 18.991 -0.472 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.594 20.039 -0.906 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.131 19.247 0.587 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.435 17.207 -0.723 1.00 1.00 H new ATOM 0 HG3 LYS A 67 131.929 18.000 -2.206 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.266 18.222 -1.333 1.00 1.00 H new ATOM 0 HD3 LYS A 67 133.784 17.489 0.184 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.115 15.392 -1.095 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.729 16.129 -2.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.404 14.713 -1.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 135.922 16.330 -1.509 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.327 15.616 -0.088 1.00 1.00 H new ATOM 1068 N HIS A 68 130.740 22.115 0.000 1.00 1.00 N ATOM 1069 CA HIS A 68 130.597 23.246 0.885 1.00 1.00 C ATOM 1070 C HIS A 68 129.155 23.698 0.988 1.00 1.00 C ATOM 1071 O HIS A 68 128.651 23.954 2.083 1.00 1.00 O ATOM 1072 CB HIS A 68 131.442 24.417 0.393 1.00 1.00 C ATOM 1073 CG HIS A 68 131.277 25.553 1.358 1.00 1.00 C ATOM 1074 ND1 HIS A 68 131.918 25.574 2.585 1.00 1.00 N ATOM 1075 CD2 HIS A 68 130.518 26.695 1.309 1.00 1.00 C ATOM 1076 CE1 HIS A 68 131.534 26.692 3.223 1.00 1.00 C ATOM 1077 NE2 HIS A 68 130.681 27.413 2.489 1.00 1.00 N ATOM 0 H HIS A 68 131.257 22.304 -0.858 1.00 1.00 H new ATOM 0 HA HIS A 68 130.936 22.926 1.870 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.490 24.126 0.324 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.128 24.719 -0.606 1.00 1.00 H new ATOM 0 HD2 HIS A 68 129.890 26.991 0.481 1.00 1.00 H new ATOM 0 HE1 HIS A 68 131.873 26.974 4.209 1.00 1.00 H new ATOM 0 HE2 HIS A 68 130.243 28.299 2.740 1.00 1.00 H new ATOM 1085 N PHE A 69 128.495 23.816 -0.156 1.00 1.00 N ATOM 1086 CA PHE A 69 127.125 24.265 -0.202 1.00 1.00 C ATOM 1087 C PHE A 69 126.224 23.329 0.579 1.00 1.00 C ATOM 1088 O PHE A 69 125.416 23.760 1.401 1.00 1.00 O ATOM 1089 CB PHE A 69 126.681 24.293 -1.660 1.00 1.00 C ATOM 1090 CG PHE A 69 125.191 24.514 -1.745 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.627 25.734 -1.341 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.371 23.492 -2.227 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.242 25.925 -1.424 1.00 1.00 C ATOM 1094 CE2 PHE A 69 122.993 23.684 -2.310 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.425 24.901 -1.908 1.00 1.00 C ATOM 0 H PHE A 69 128.898 23.603 -1.069 1.00 1.00 H new ATOM 0 HA PHE A 69 127.055 25.257 0.244 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.205 25.087 -2.192 1.00 1.00 H new ATOM 0 HB3 PHE A 69 126.945 23.354 -2.147 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.260 26.525 -0.967 1.00 1.00 H new ATOM 0 HD2 PHE A 69 124.805 22.552 -2.536 1.00 1.00 H new ATOM 0 HE1 PHE A 69 122.806 26.863 -1.114 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.361 22.893 -2.685 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.357 25.046 -1.973 1.00 1.00 H new ATOM 1105 N ALA A 70 126.345 22.046 0.272 1.00 1.00 N ATOM 1106 CA ALA A 70 125.524 21.029 0.889 1.00 1.00 C ATOM 1107 C ALA A 70 125.832 20.836 2.360 1.00 1.00 C ATOM 1108 O ALA A 70 124.935 20.554 3.153 1.00 1.00 O ATOM 1109 CB ALA A 70 125.708 19.690 0.174 1.00 1.00 C ATOM 0 H ALA A 70 127.014 21.687 -0.410 1.00 1.00 H new ATOM 0 HA ALA A 70 124.494 21.375 0.801 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.083 18.934 0.650 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.419 19.793 -0.872 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.753 19.387 0.233 1.00 1.00 H new ATOM 1115 N GLY A 71 127.094 20.966 2.732 1.00 1.00 N ATOM 1116 CA GLY A 71 127.463 20.775 4.114 1.00 1.00 C ATOM 1117 C GLY A 71 126.825 21.845 4.966 1.00 1.00 C ATOM 1118 O GLY A 71 126.413 21.594 6.097 1.00 1.00 O ATOM 0 H GLY A 71 127.864 21.199 2.105 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.144 19.789 4.452 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.547 20.812 4.219 1.00 1.00 H new ATOM 1122 N VAL A 72 126.761 23.046 4.420 1.00 1.00 N ATOM 1123 CA VAL A 72 126.197 24.161 5.132 1.00 1.00 C ATOM 1124 C VAL A 72 124.676 24.245 4.975 1.00 1.00 C ATOM 1125 O VAL A 72 123.981 24.579 5.936 1.00 1.00 O ATOM 1126 CB VAL A 72 126.857 25.444 4.637 1.00 1.00 C ATOM 1127 CG1 VAL A 72 125.992 26.635 5.018 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.240 25.581 5.278 1.00 1.00 C ATOM 0 H VAL A 72 127.096 23.267 3.482 1.00 1.00 H new ATOM 0 HA VAL A 72 126.391 24.022 6.195 1.00 1.00 H new ATOM 0 HB VAL A 72 126.964 25.409 3.553 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.462 27.553 4.665 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.008 26.531 4.560 1.00 1.00 H new ATOM 0 HG13 VAL A 72 125.885 26.675 6.102 1.00 1.00 H new ATOM 0 HG21 VAL A 72 128.715 26.497 4.926 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.136 25.619 6.362 1.00 1.00 H new ATOM 0 HG23 VAL A 72 128.855 24.725 5.002 1.00 1.00 H new ATOM 1138 N HIS A 73 124.154 24.037 3.756 1.00 1.00 N ATOM 1139 CA HIS A 73 122.720 24.203 3.501 1.00 1.00 C ATOM 1140 C HIS A 73 121.893 22.922 3.291 1.00 1.00 C ATOM 1141 O HIS A 73 120.680 23.047 3.122 1.00 1.00 O ATOM 1142 CB HIS A 73 122.542 25.103 2.275 1.00 1.00 C ATOM 1143 CG HIS A 73 122.917 26.507 2.641 1.00 1.00 C ATOM 1144 ND1 HIS A 73 122.255 27.205 3.635 1.00 1.00 N ATOM 1145 CD2 HIS A 73 123.879 27.359 2.158 1.00 1.00 C ATOM 1146 CE1 HIS A 73 122.820 28.420 3.724 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.817 28.567 2.847 1.00 1.00 N ATOM 0 H HIS A 73 124.699 23.756 2.941 1.00 1.00 H new ATOM 0 HA HIS A 73 122.328 24.635 4.422 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.166 24.749 1.454 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.509 25.067 1.929 1.00 1.00 H new ATOM 0 HD2 HIS A 73 124.576 27.128 1.366 1.00 1.00 H new ATOM 0 HE1 HIS A 73 122.507 29.185 4.419 1.00 1.00 H new ATOM 0 HE2 HIS A 73 124.406 29.388 2.711 1.00 1.00 H new ATOM 1155 N LEU A 74 122.482 21.713 3.220 1.00 1.00 N ATOM 1156 CA LEU A 74 121.627 20.536 2.941 1.00 1.00 C ATOM 1157 C LEU A 74 121.976 19.266 3.702 1.00 1.00 C ATOM 1158 O LEU A 74 123.070 19.125 4.246 1.00 1.00 O ATOM 1159 CB LEU A 74 121.663 20.178 1.456 1.00 1.00 C ATOM 1160 CG LEU A 74 120.937 21.228 0.611 1.00 1.00 C ATOM 1161 CD1 LEU A 74 121.945 22.232 0.074 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.264 20.539 -0.570 1.00 1.00 C ATOM 0 H LEU A 74 123.477 21.526 3.342 1.00 1.00 H new ATOM 0 HA LEU A 74 120.643 20.862 3.277 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.698 20.095 1.125 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.200 19.203 1.304 1.00 1.00 H new ATOM 0 HG LEU A 74 120.195 21.738 1.226 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.428 22.980 -0.528 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.450 22.722 0.907 1.00 1.00 H new ATOM 0 HD13 LEU A 74 122.680 21.715 -0.542 1.00 1.00 H new ATOM 0 HD21 LEU A 74 119.745 21.281 -1.176 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.018 20.038 -1.177 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.547 19.805 -0.203 1.00 1.00 H new ATOM 1174 N HIS A 75 121.063 18.304 3.626 1.00 1.00 N ATOM 1175 CA HIS A 75 121.273 16.984 4.189 1.00 1.00 C ATOM 1176 C HIS A 75 121.285 16.030 3.003 1.00 1.00 C ATOM 1177 O HIS A 75 120.338 16.025 2.214 1.00 1.00 O ATOM 1178 CB HIS A 75 120.154 16.614 5.160 1.00 1.00 C ATOM 1179 CG HIS A 75 120.192 17.535 6.349 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.353 17.779 7.069 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.209 18.269 6.962 1.00 1.00 C ATOM 1182 CE1 HIS A 75 121.039 18.635 8.063 1.00 1.00 C ATOM 1183 NE2 HIS A 75 119.744 18.961 8.044 1.00 1.00 N ATOM 0 H HIS A 75 120.158 18.422 3.171 1.00 1.00 H new ATOM 0 HA HIS A 75 122.202 16.940 4.757 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.187 16.687 4.662 1.00 1.00 H new ATOM 0 HB3 HIS A 75 120.268 15.580 5.485 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.175 18.305 6.652 1.00 1.00 H new ATOM 0 HE1 HIS A 75 121.748 19.011 8.786 1.00 1.00 H new ATOM 0 HE2 HIS A 75 119.253 19.584 8.685 1.00 1.00 H new ATOM 1191 N MET A 76 122.339 15.240 2.852 1.00 1.00 N ATOM 1192 CA MET A 76 122.407 14.327 1.720 1.00 1.00 C ATOM 1193 C MET A 76 122.099 12.904 2.136 1.00 1.00 C ATOM 1194 O MET A 76 122.597 12.410 3.147 1.00 1.00 O ATOM 1195 CB MET A 76 123.789 14.385 1.055 1.00 1.00 C ATOM 1196 CG MET A 76 123.892 13.304 -0.040 1.00 1.00 C ATOM 1197 SD MET A 76 122.515 13.459 -1.214 1.00 1.00 S ATOM 1198 CE MET A 76 123.055 14.962 -2.078 1.00 1.00 C ATOM 0 H MET A 76 123.141 15.211 3.482 1.00 1.00 H new ATOM 0 HA MET A 76 121.652 14.646 1.001 1.00 1.00 H new ATOM 0 HB2 MET A 76 123.952 15.371 0.621 1.00 1.00 H new ATOM 0 HB3 MET A 76 124.568 14.233 1.802 1.00 1.00 H new ATOM 0 HG2 MET A 76 124.841 13.401 -0.568 1.00 1.00 H new ATOM 0 HG3 MET A 76 123.880 12.314 0.415 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.003 14.801 -3.155 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.405 15.793 -1.803 1.00 1.00 H new ATOM 0 HE3 MET A 76 124.081 15.195 -1.795 1.00 1.00 H new ATOM 1208 N VAL A 77 121.299 12.245 1.313 1.00 1.00 N ATOM 1209 CA VAL A 77 120.940 10.865 1.541 1.00 1.00 C ATOM 1210 C VAL A 77 121.345 10.074 0.310 1.00 1.00 C ATOM 1211 O VAL A 77 121.042 10.472 -0.815 1.00 1.00 O ATOM 1212 CB VAL A 77 119.431 10.734 1.761 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.038 9.257 1.717 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.044 11.309 3.126 1.00 1.00 C ATOM 0 H VAL A 77 120.885 12.653 0.475 1.00 1.00 H new ATOM 0 HA VAL A 77 121.447 10.489 2.430 1.00 1.00 H new ATOM 0 HB VAL A 77 118.912 11.285 0.977 1.00 1.00 H new ATOM 0 HG11 VAL A 77 117.964 9.162 1.874 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.302 8.839 0.745 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.568 8.716 2.501 1.00 1.00 H new ATOM 0 HG21 VAL A 77 117.968 11.210 3.271 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.568 10.765 3.912 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.320 12.363 3.169 1.00 1.00 H new ATOM 1224 N GLU A 78 122.034 8.970 0.522 1.00 1.00 N ATOM 1225 CA GLU A 78 122.478 8.146 -0.587 1.00 1.00 C ATOM 1226 C GLU A 78 121.486 7.023 -0.820 1.00 1.00 C ATOM 1227 O GLU A 78 121.176 6.257 0.089 1.00 1.00 O ATOM 1228 CB GLU A 78 123.857 7.560 -0.276 1.00 1.00 C ATOM 1229 CG GLU A 78 124.338 6.723 -1.460 1.00 1.00 C ATOM 1230 CD GLU A 78 125.751 6.220 -1.199 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.196 6.324 -0.067 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.374 5.743 -2.134 1.00 1.00 O ATOM 0 H GLU A 78 122.297 8.624 1.445 1.00 1.00 H new ATOM 0 HA GLU A 78 122.543 8.760 -1.486 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.567 8.362 -0.073 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.807 6.944 0.622 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.666 5.880 -1.617 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.318 7.321 -2.371 1.00 1.00 H new ATOM 1239 N VAL A 79 120.997 6.928 -2.054 1.00 1.00 N ATOM 1240 CA VAL A 79 120.050 5.891 -2.422 1.00 1.00 C ATOM 1241 C VAL A 79 120.536 5.213 -3.698 1.00 1.00 C ATOM 1242 O VAL A 79 120.345 5.726 -4.800 1.00 1.00 O ATOM 1243 CB VAL A 79 118.672 6.517 -2.668 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.616 5.416 -2.775 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.315 7.456 -1.511 1.00 1.00 C ATOM 0 H VAL A 79 121.245 7.561 -2.815 1.00 1.00 H new ATOM 0 HA VAL A 79 119.972 5.159 -1.618 1.00 1.00 H new ATOM 0 HB VAL A 79 118.699 7.084 -3.598 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.638 5.865 -2.950 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.864 4.753 -3.604 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.592 4.844 -1.848 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.335 7.898 -1.690 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.293 6.892 -0.578 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.062 8.246 -1.440 1.00 1.00 H new ATOM 1255 N ASP A 80 121.268 4.115 -3.516 1.00 1.00 N ATOM 1256 CA ASP A 80 121.902 3.444 -4.655 1.00 1.00 C ATOM 1257 C ASP A 80 121.262 2.127 -5.085 1.00 1.00 C ATOM 1258 O ASP A 80 120.764 1.375 -4.249 1.00 1.00 O ATOM 1259 CB ASP A 80 123.374 3.190 -4.325 1.00 1.00 C ATOM 1260 CG ASP A 80 124.153 4.505 -4.308 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.632 5.493 -4.800 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.264 4.502 -3.803 1.00 1.00 O ATOM 0 H ASP A 80 121.436 3.676 -2.611 1.00 1.00 H new ATOM 0 HA ASP A 80 121.771 4.122 -5.498 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.456 2.699 -3.355 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.807 2.514 -5.062 1.00 1.00 H new ATOM 1267 N PHE A 81 121.310 1.838 -6.384 1.00 1.00 N ATOM 1268 CA PHE A 81 120.764 0.588 -6.905 1.00 1.00 C ATOM 1269 C PHE A 81 121.835 -0.135 -7.730 1.00 1.00 C ATOM 1270 O PHE A 81 121.809 -0.098 -8.961 1.00 1.00 O ATOM 1271 CB PHE A 81 119.546 0.874 -7.779 1.00 1.00 C ATOM 1272 CG PHE A 81 118.332 1.046 -6.903 1.00 1.00 C ATOM 1273 CD1 PHE A 81 117.693 -0.073 -6.351 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.837 2.329 -6.651 1.00 1.00 C ATOM 1275 CE1 PHE A 81 116.560 0.096 -5.546 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.704 2.499 -5.851 1.00 1.00 C ATOM 1277 CZ PHE A 81 116.064 1.384 -5.298 1.00 1.00 C ATOM 0 H PHE A 81 121.719 2.449 -7.091 1.00 1.00 H new ATOM 0 HA PHE A 81 120.460 -0.045 -6.071 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.712 1.774 -8.370 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.388 0.056 -8.482 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.074 -1.064 -6.546 1.00 1.00 H new ATOM 0 HD2 PHE A 81 118.331 3.190 -7.075 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.069 -0.765 -5.117 1.00 1.00 H new ATOM 0 HE2 PHE A 81 116.322 3.491 -5.659 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.188 1.516 -4.680 1.00 1.00 H new ATOM 1287 N PRO A 82 122.782 -0.765 -7.074 1.00 1.00 N ATOM 1288 CA PRO A 82 123.901 -1.483 -7.751 1.00 1.00 C ATOM 1289 C PRO A 82 123.483 -2.823 -8.346 1.00 1.00 C ATOM 1290 O PRO A 82 122.464 -3.394 -7.956 1.00 1.00 O ATOM 1291 CB PRO A 82 124.942 -1.658 -6.646 1.00 1.00 C ATOM 1292 CG PRO A 82 124.177 -1.653 -5.366 1.00 1.00 C ATOM 1293 CD PRO A 82 122.883 -0.871 -5.610 1.00 1.00 C ATOM 0 HA PRO A 82 124.275 -0.924 -8.609 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.491 -2.591 -6.770 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.675 -0.851 -6.667 1.00 1.00 H new ATOM 0 HG2 PRO A 82 123.956 -2.671 -5.047 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.762 -1.190 -4.571 1.00 1.00 H new ATOM 0 HD2 PRO A 82 122.021 -1.390 -5.190 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.921 0.113 -5.143 1.00 1.00 H new ATOM 1301 N GLN A 83 124.291 -3.334 -9.263 1.00 1.00 N ATOM 1302 CA GLN A 83 123.984 -4.630 -9.854 1.00 1.00 C ATOM 1303 C GLN A 83 124.266 -5.727 -8.838 1.00 1.00 C ATOM 1304 O GLN A 83 123.494 -6.677 -8.696 1.00 1.00 O ATOM 1305 CB GLN A 83 124.797 -4.883 -11.130 1.00 1.00 C ATOM 1306 CG GLN A 83 126.011 -3.955 -11.188 1.00 1.00 C ATOM 1307 CD GLN A 83 126.844 -4.279 -12.422 1.00 1.00 C ATOM 1308 OE1 GLN A 83 126.995 -5.447 -12.777 1.00 1.00 O ATOM 1309 NE2 GLN A 83 127.391 -3.310 -13.107 1.00 1.00 N ATOM 0 H GLN A 83 125.141 -2.887 -9.607 1.00 1.00 H new ATOM 0 HA GLN A 83 122.929 -4.634 -10.129 1.00 1.00 H new ATOM 0 HB2 GLN A 83 125.125 -5.922 -11.158 1.00 1.00 H new ATOM 0 HB3 GLN A 83 124.168 -4.723 -12.006 1.00 1.00 H new ATOM 0 HG2 GLN A 83 125.685 -2.915 -11.219 1.00 1.00 H new ATOM 0 HG3 GLN A 83 126.615 -4.073 -10.288 1.00 1.00 H new ATOM 0 HE21 GLN A 83 127.265 -2.342 -12.811 1.00 1.00 H new ATOM 0 HE22 GLN A 83 127.944 -3.522 -13.937 1.00 1.00 H new ATOM 1318 N LYS A 84 125.335 -5.541 -8.091 1.00 1.00 N ATOM 1319 CA LYS A 84 125.697 -6.454 -7.033 1.00 1.00 C ATOM 1320 C LYS A 84 125.209 -5.838 -5.734 1.00 1.00 C ATOM 1321 O LYS A 84 125.842 -4.952 -5.160 1.00 1.00 O ATOM 1322 CB LYS A 84 127.214 -6.623 -6.986 1.00 1.00 C ATOM 1323 CG LYS A 84 127.758 -7.228 -8.293 1.00 1.00 C ATOM 1324 CD LYS A 84 127.340 -8.699 -8.435 1.00 1.00 C ATOM 1325 CE LYS A 84 127.962 -9.284 -9.703 1.00 1.00 C ATOM 1326 NZ LYS A 84 127.605 -10.727 -9.801 1.00 1.00 N ATOM 0 H LYS A 84 125.974 -4.754 -8.202 1.00 1.00 H new ATOM 0 HA LYS A 84 125.251 -7.435 -7.195 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.683 -5.655 -6.810 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.483 -7.265 -6.147 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.387 -6.657 -9.144 1.00 1.00 H new ATOM 0 HG3 LYS A 84 128.845 -7.152 -8.308 1.00 1.00 H new ATOM 0 HD2 LYS A 84 127.664 -9.266 -7.563 1.00 1.00 H new ATOM 0 HD3 LYS A 84 126.254 -8.777 -8.480 1.00 1.00 H new ATOM 0 HE2 LYS A 84 127.602 -8.747 -10.581 1.00 1.00 H new ATOM 0 HE3 LYS A 84 129.045 -9.166 -9.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 128.026 -11.131 -10.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 127.969 -11.232 -8.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 126.571 -10.827 -9.841 1.00 1.00 H new ATOM 1340 N ASN A 85 124.048 -6.302 -5.320 1.00 1.00 N ATOM 1341 CA ASN A 85 123.407 -5.791 -4.116 1.00 1.00 C ATOM 1342 C ASN A 85 123.824 -6.534 -2.847 1.00 1.00 C ATOM 1343 O ASN A 85 123.826 -7.764 -2.776 1.00 1.00 O ATOM 1344 CB ASN A 85 121.891 -5.907 -4.256 1.00 1.00 C ATOM 1345 CG ASN A 85 121.373 -4.959 -5.330 1.00 1.00 C ATOM 1346 OD1 ASN A 85 122.036 -3.981 -5.677 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.215 -5.197 -5.878 1.00 1.00 N ATOM 0 H ASN A 85 123.524 -7.035 -5.798 1.00 1.00 H new ATOM 0 HA ASN A 85 123.725 -4.753 -4.016 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.622 -6.932 -4.509 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.415 -5.679 -3.303 1.00 1.00 H new ATOM 0 HD21 ASN A 85 119.853 -4.572 -6.598 1.00 1.00 H new ATOM 0 HD22 ASN A 85 119.670 -6.009 -5.587 1.00 1.00 H new ATOM 1354 N HIS A 86 124.165 -5.724 -1.857 1.00 1.00 N ATOM 1355 CA HIS A 86 124.580 -6.256 -0.563 1.00 1.00 C ATOM 1356 C HIS A 86 123.963 -5.433 0.554 1.00 1.00 C ATOM 1357 O HIS A 86 124.426 -5.472 1.693 1.00 1.00 O ATOM 1358 CB HIS A 86 126.104 -6.205 -0.438 1.00 1.00 C ATOM 1359 CG HIS A 86 126.723 -7.012 -1.542 1.00 1.00 C ATOM 1360 ND1 HIS A 86 126.826 -8.393 -1.490 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.268 -6.639 -2.743 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.411 -8.797 -2.634 1.00 1.00 C ATOM 1363 NE2 HIS A 86 127.700 -7.766 -3.432 1.00 1.00 N ATOM 0 H HIS A 86 124.164 -4.706 -1.920 1.00 1.00 H new ATOM 0 HA HIS A 86 124.244 -7.290 -0.487 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.450 -5.173 -0.490 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.414 -6.597 0.531 1.00 1.00 H new ATOM 0 HD1 HIS A 86 126.516 -8.993 -0.726 1.00 1.00 H new ATOM 0 HD2 HIS A 86 127.349 -5.623 -3.100 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.621 -9.828 -2.876 1.00 1.00 H new ATOM 1371 N GLN A 87 122.933 -4.667 0.220 1.00 1.00 N ATOM 1372 CA GLN A 87 122.285 -3.812 1.201 1.00 1.00 C ATOM 1373 C GLN A 87 121.304 -4.606 2.083 1.00 1.00 C ATOM 1374 O GLN A 87 120.609 -5.493 1.585 1.00 1.00 O ATOM 1375 CB GLN A 87 121.527 -2.691 0.482 1.00 1.00 C ATOM 1376 CG GLN A 87 122.499 -1.579 0.075 1.00 1.00 C ATOM 1377 CD GLN A 87 121.745 -0.479 -0.666 1.00 1.00 C ATOM 1378 OE1 GLN A 87 121.432 0.560 -0.085 1.00 1.00 O ATOM 1379 NE2 GLN A 87 121.430 -0.647 -1.921 1.00 1.00 N ATOM 0 H GLN A 87 122.532 -4.621 -0.717 1.00 1.00 H new ATOM 0 HA GLN A 87 123.058 -3.392 1.845 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.025 -3.088 -0.401 1.00 1.00 H new ATOM 0 HB3 GLN A 87 120.753 -2.288 1.135 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.985 -1.167 0.959 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.285 -1.986 -0.561 1.00 1.00 H new ATOM 0 HE21 GLN A 87 121.690 -1.509 -2.401 1.00 1.00 H new ATOM 0 HE22 GLN A 87 120.924 0.083 -2.422 1.00 1.00 H new ATOM 1388 N PRO A 88 121.202 -4.296 3.364 1.00 1.00 N ATOM 1389 CA PRO A 88 120.245 -5.000 4.268 1.00 1.00 C ATOM 1390 C PRO A 88 118.814 -4.881 3.755 1.00 1.00 C ATOM 1391 O PRO A 88 118.454 -3.889 3.120 1.00 1.00 O ATOM 1392 CB PRO A 88 120.363 -4.281 5.616 1.00 1.00 C ATOM 1393 CG PRO A 88 121.577 -3.416 5.551 1.00 1.00 C ATOM 1394 CD PRO A 88 121.982 -3.273 4.086 1.00 1.00 C ATOM 0 HA PRO A 88 120.475 -6.063 4.333 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.474 -3.682 5.811 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.447 -5.001 6.430 1.00 1.00 H new ATOM 0 HG2 PRO A 88 121.371 -2.438 5.986 1.00 1.00 H new ATOM 0 HG3 PRO A 88 122.389 -3.857 6.129 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.760 -2.273 3.713 1.00 1.00 H new ATOM 0 HD3 PRO A 88 123.053 -3.431 3.957 1.00 1.00 H new ATOM 1402 N GLU A 89 118.008 -5.902 4.014 1.00 1.00 N ATOM 1403 CA GLU A 89 116.623 -5.916 3.561 1.00 1.00 C ATOM 1404 C GLU A 89 115.902 -4.616 3.906 1.00 1.00 C ATOM 1405 O GLU A 89 115.245 -4.032 3.052 1.00 1.00 O ATOM 1406 CB GLU A 89 115.883 -7.081 4.219 1.00 1.00 C ATOM 1407 CG GLU A 89 116.402 -8.412 3.673 1.00 1.00 C ATOM 1408 CD GLU A 89 115.753 -9.567 4.429 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.021 -9.295 5.364 1.00 1.00 O ATOM 1410 OE2 GLU A 89 115.989 -10.702 4.051 1.00 1.00 O ATOM 0 H GLU A 89 118.289 -6.732 4.536 1.00 1.00 H new ATOM 0 HA GLU A 89 116.630 -6.028 2.477 1.00 1.00 H new ATOM 0 HB2 GLU A 89 116.020 -7.045 5.300 1.00 1.00 H new ATOM 0 HB3 GLU A 89 114.813 -6.995 4.030 1.00 1.00 H new ATOM 0 HG2 GLU A 89 116.180 -8.491 2.609 1.00 1.00 H new ATOM 0 HG3 GLU A 89 117.486 -8.461 3.777 1.00 1.00 H new ATOM 1417 N GLU A 90 115.999 -4.170 5.152 1.00 1.00 N ATOM 1418 CA GLU A 90 115.306 -2.952 5.561 1.00 1.00 C ATOM 1419 C GLU A 90 115.741 -1.767 4.730 1.00 1.00 C ATOM 1420 O GLU A 90 114.929 -0.914 4.376 1.00 1.00 O ATOM 1421 CB GLU A 90 115.580 -2.663 7.035 1.00 1.00 C ATOM 1422 CG GLU A 90 114.907 -3.740 7.883 1.00 1.00 C ATOM 1423 CD GLU A 90 115.104 -3.451 9.366 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.753 -2.466 9.679 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.596 -4.217 10.168 1.00 1.00 O ATOM 0 H GLU A 90 116.541 -4.624 5.887 1.00 1.00 H new ATOM 0 HA GLU A 90 114.238 -3.110 5.408 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.653 -2.651 7.224 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.198 -1.678 7.304 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.842 -3.780 7.652 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.323 -4.717 7.638 1.00 1.00 H new ATOM 1432 N GLN A 91 117.022 -1.718 4.423 1.00 1.00 N ATOM 1433 CA GLN A 91 117.556 -0.630 3.636 1.00 1.00 C ATOM 1434 C GLN A 91 117.029 -0.719 2.211 1.00 1.00 C ATOM 1435 O GLN A 91 116.687 0.297 1.611 1.00 1.00 O ATOM 1436 CB GLN A 91 119.084 -0.702 3.640 1.00 1.00 C ATOM 1437 CG GLN A 91 119.647 0.548 4.322 1.00 1.00 C ATOM 1438 CD GLN A 91 119.340 1.784 3.485 1.00 1.00 C ATOM 1439 OE1 GLN A 91 119.702 1.843 2.310 1.00 1.00 O ATOM 1440 NE2 GLN A 91 118.691 2.781 4.023 1.00 1.00 N ATOM 0 H GLN A 91 117.708 -2.417 4.706 1.00 1.00 H new ATOM 0 HA GLN A 91 117.242 0.321 4.067 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.416 -1.598 4.165 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.459 -0.774 2.619 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.214 0.656 5.316 1.00 1.00 H new ATOM 0 HG3 GLN A 91 120.724 0.446 4.453 1.00 1.00 H new ATOM 0 HE21 GLN A 91 118.392 2.729 4.997 1.00 1.00 H new ATOM 0 HE22 GLN A 91 118.483 3.612 3.469 1.00 1.00 H new ATOM 1449 N ARG A 92 116.962 -1.929 1.669 1.00 1.00 N ATOM 1450 CA ARG A 92 116.469 -2.105 0.310 1.00 1.00 C ATOM 1451 C ARG A 92 114.973 -1.828 0.222 1.00 1.00 C ATOM 1452 O ARG A 92 114.519 -1.198 -0.729 1.00 1.00 O ATOM 1453 CB ARG A 92 116.734 -3.523 -0.186 1.00 1.00 C ATOM 1454 CG ARG A 92 118.232 -3.740 -0.374 1.00 1.00 C ATOM 1455 CD ARG A 92 118.463 -5.187 -0.801 1.00 1.00 C ATOM 1456 NE ARG A 92 118.203 -6.086 0.318 1.00 1.00 N ATOM 1457 CZ ARG A 92 118.195 -7.402 0.149 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.394 -7.903 -1.039 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.990 -8.190 1.168 1.00 1.00 N ATOM 0 H ARG A 92 117.238 -2.790 2.141 1.00 1.00 H new ATOM 0 HA ARG A 92 117.004 -1.391 -0.317 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.341 -4.246 0.528 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.213 -3.690 -1.129 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.622 -3.056 -1.128 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.764 -3.529 0.554 1.00 1.00 H new ATOM 0 HD2 ARG A 92 117.810 -5.436 -1.638 1.00 1.00 H new ATOM 0 HD3 ARG A 92 119.488 -5.313 -1.148 1.00 1.00 H new ATOM 0 HE ARG A 92 118.025 -5.697 1.244 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.555 -7.284 -1.833 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.389 -8.914 -1.174 1.00 1.00 H new ATOM 0 HH21 ARG A 92 117.836 -7.795 2.096 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.984 -9.202 1.037 1.00 1.00 H new ATOM 1473 N GLN A 93 114.197 -2.297 1.197 1.00 1.00 N ATOM 1474 CA GLN A 93 112.761 -2.067 1.149 1.00 1.00 C ATOM 1475 C GLN A 93 112.483 -0.575 1.193 1.00 1.00 C ATOM 1476 O GLN A 93 111.659 -0.064 0.435 1.00 1.00 O ATOM 1477 CB GLN A 93 112.061 -2.758 2.325 1.00 1.00 C ATOM 1478 CG GLN A 93 112.251 -4.273 2.221 1.00 1.00 C ATOM 1479 CD GLN A 93 111.383 -4.834 1.100 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.220 -4.454 0.969 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.876 -5.727 0.284 1.00 1.00 N ATOM 0 H GLN A 93 114.528 -2.823 2.006 1.00 1.00 H new ATOM 0 HA GLN A 93 112.372 -2.486 0.221 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.469 -2.395 3.268 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.999 -2.514 2.322 1.00 1.00 H new ATOM 0 HG2 GLN A 93 113.299 -4.504 2.030 1.00 1.00 H new ATOM 0 HG3 GLN A 93 111.988 -4.746 3.167 1.00 1.00 H new ATOM 0 HE21 GLN A 93 112.840 -6.041 0.394 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.297 -6.110 -0.463 1.00 1.00 H new ATOM 1490 N LYS A 94 113.171 0.120 2.086 1.00 1.00 N ATOM 1491 CA LYS A 94 112.988 1.553 2.221 1.00 1.00 C ATOM 1492 C LYS A 94 113.382 2.261 0.936 1.00 1.00 C ATOM 1493 O LYS A 94 112.677 3.150 0.460 1.00 1.00 O ATOM 1494 CB LYS A 94 113.855 2.059 3.369 1.00 1.00 C ATOM 1495 CG LYS A 94 113.280 3.357 3.937 1.00 1.00 C ATOM 1496 CD LYS A 94 114.043 3.725 5.209 1.00 1.00 C ATOM 1497 CE LYS A 94 115.485 4.115 4.872 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.053 4.891 6.009 1.00 1.00 N ATOM 0 H LYS A 94 113.857 -0.284 2.724 1.00 1.00 H new ATOM 0 HA LYS A 94 111.938 1.762 2.426 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.909 1.304 4.153 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.873 2.227 3.018 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.363 4.158 3.203 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.219 3.235 4.156 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.544 4.552 5.713 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.039 2.882 5.900 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.084 3.223 4.688 1.00 1.00 H new ATOM 0 HE3 LYS A 94 115.511 4.710 3.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 116.912 5.387 5.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.353 5.586 6.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 116.291 4.243 6.787 1.00 1.00 H new ATOM 1512 N ASN A 95 114.522 1.866 0.389 1.00 1.00 N ATOM 1513 CA ASN A 95 115.022 2.472 -0.833 1.00 1.00 C ATOM 1514 C ASN A 95 114.016 2.317 -1.971 1.00 1.00 C ATOM 1515 O ASN A 95 113.806 3.254 -2.740 1.00 1.00 O ATOM 1516 CB ASN A 95 116.342 1.813 -1.230 1.00 1.00 C ATOM 1517 CG ASN A 95 116.859 2.428 -2.525 1.00 1.00 C ATOM 1518 OD1 ASN A 95 116.155 3.203 -3.170 1.00 1.00 O ATOM 1519 ND2 ASN A 95 118.055 2.128 -2.946 1.00 1.00 N ATOM 0 H ASN A 95 115.116 1.130 0.772 1.00 1.00 H new ATOM 0 HA ASN A 95 115.178 3.535 -0.649 1.00 1.00 H new ATOM 0 HB2 ASN A 95 117.077 1.944 -0.436 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.199 0.740 -1.358 1.00 1.00 H new ATOM 0 HD21 ASN A 95 118.408 2.536 -3.811 1.00 1.00 H new ATOM 0 HD22 ASN A 95 118.638 1.485 -2.410 1.00 1.00 H new ATOM 1526 N GLN A 96 113.399 1.144 -2.087 1.00 1.00 N ATOM 1527 CA GLN A 96 112.430 0.916 -3.148 1.00 1.00 C ATOM 1528 C GLN A 96 111.208 1.789 -2.933 1.00 1.00 C ATOM 1529 O GLN A 96 110.641 2.327 -3.882 1.00 1.00 O ATOM 1530 CB GLN A 96 112.012 -0.555 -3.173 1.00 1.00 C ATOM 1531 CG GLN A 96 113.175 -1.424 -3.658 1.00 1.00 C ATOM 1532 CD GLN A 96 112.777 -2.889 -3.569 1.00 1.00 C ATOM 1533 OE1 GLN A 96 111.718 -3.280 -4.060 1.00 1.00 O ATOM 1534 NE2 GLN A 96 113.562 -3.723 -2.951 1.00 1.00 N ATOM 0 H GLN A 96 113.551 0.348 -1.467 1.00 1.00 H new ATOM 0 HA GLN A 96 112.891 1.172 -4.102 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.703 -0.870 -2.176 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.152 -0.686 -3.830 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.433 -1.167 -4.685 1.00 1.00 H new ATOM 0 HG3 GLN A 96 114.061 -1.238 -3.051 1.00 1.00 H new ATOM 0 HE21 GLN A 96 114.438 -3.394 -2.546 1.00 1.00 H new ATOM 0 HE22 GLN A 96 113.301 -4.706 -2.872 1.00 1.00 H new ATOM 1543 N GLU A 97 110.811 1.931 -1.677 1.00 1.00 N ATOM 1544 CA GLU A 97 109.658 2.743 -1.352 1.00 1.00 C ATOM 1545 C GLU A 97 109.909 4.199 -1.731 1.00 1.00 C ATOM 1546 O GLU A 97 109.045 4.864 -2.300 1.00 1.00 O ATOM 1547 CB GLU A 97 109.362 2.657 0.146 1.00 1.00 C ATOM 1548 CG GLU A 97 108.091 3.448 0.455 1.00 1.00 C ATOM 1549 CD GLU A 97 107.735 3.305 1.927 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.295 2.433 2.567 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.904 4.069 2.391 1.00 1.00 O ATOM 0 H GLU A 97 111.269 1.497 -0.875 1.00 1.00 H new ATOM 0 HA GLU A 97 108.804 2.368 -1.916 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.238 1.616 0.445 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.200 3.055 0.718 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.238 4.499 0.208 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.269 3.087 -0.163 1.00 1.00 H new ATOM 1558 N LEU A 98 111.105 4.687 -1.405 1.00 1.00 N ATOM 1559 CA LEU A 98 111.491 6.065 -1.690 1.00 1.00 C ATOM 1560 C LEU A 98 111.553 6.311 -3.203 1.00 1.00 C ATOM 1561 O LEU A 98 111.133 7.362 -3.688 1.00 1.00 O ATOM 1562 CB LEU A 98 112.856 6.324 -1.038 1.00 1.00 C ATOM 1563 CG LEU A 98 113.064 7.814 -0.744 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.045 8.304 0.293 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.479 7.998 -0.193 1.00 1.00 C ATOM 0 H LEU A 98 111.829 4.140 -0.938 1.00 1.00 H new ATOM 0 HA LEU A 98 110.749 6.751 -1.282 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.932 5.755 -0.111 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.648 5.968 -1.696 1.00 1.00 H new ATOM 0 HG LEU A 98 112.928 8.391 -1.659 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.207 9.364 0.490 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.036 8.157 -0.091 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.167 7.740 1.218 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.651 9.052 0.024 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.592 7.416 0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.204 7.657 -0.932 1.00 1.00 H new ATOM 1577 N LYS A 99 112.084 5.331 -3.936 1.00 1.00 N ATOM 1578 CA LYS A 99 112.206 5.441 -5.387 1.00 1.00 C ATOM 1579 C LYS A 99 110.832 5.615 -5.996 1.00 1.00 C ATOM 1580 O LYS A 99 110.655 6.372 -6.949 1.00 1.00 O ATOM 1581 CB LYS A 99 112.866 4.170 -5.957 1.00 1.00 C ATOM 1582 CG LYS A 99 113.089 4.314 -7.472 1.00 1.00 C ATOM 1583 CD LYS A 99 113.688 3.022 -8.045 1.00 1.00 C ATOM 1584 CE LYS A 99 113.947 3.206 -9.543 1.00 1.00 C ATOM 1585 NZ LYS A 99 114.502 1.947 -10.116 1.00 1.00 N ATOM 0 H LYS A 99 112.435 4.455 -3.548 1.00 1.00 H new ATOM 0 HA LYS A 99 112.826 6.304 -5.630 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.819 3.993 -5.458 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.235 3.304 -5.757 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.143 4.536 -7.967 1.00 1.00 H new ATOM 0 HG3 LYS A 99 113.757 5.152 -7.671 1.00 1.00 H new ATOM 0 HD2 LYS A 99 114.618 2.779 -7.531 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.006 2.188 -7.882 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.020 3.471 -10.052 1.00 1.00 H new ATOM 0 HE3 LYS A 99 114.645 4.028 -9.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 114.677 2.076 -11.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 115.396 1.713 -9.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 113.822 1.173 -9.977 1.00 1.00 H new ATOM 1599 N ALA A 100 109.860 4.916 -5.446 1.00 1.00 N ATOM 1600 CA ALA A 100 108.512 5.015 -5.955 1.00 1.00 C ATOM 1601 C ALA A 100 107.818 6.272 -5.450 1.00 1.00 C ATOM 1602 O ALA A 100 107.021 6.882 -6.160 1.00 1.00 O ATOM 1603 CB ALA A 100 107.708 3.807 -5.525 1.00 1.00 C ATOM 0 H ALA A 100 109.978 4.281 -4.656 1.00 1.00 H new ATOM 0 HA ALA A 100 108.572 5.061 -7.042 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.693 3.889 -5.913 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.174 2.902 -5.916 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.678 3.759 -4.436 1.00 1.00 H new ATOM 1609 N GLN A 101 108.089 6.629 -4.202 1.00 1.00 N ATOM 1610 CA GLN A 101 107.451 7.768 -3.585 1.00 1.00 C ATOM 1611 C GLN A 101 107.671 9.050 -4.364 1.00 1.00 C ATOM 1612 O GLN A 101 106.730 9.810 -4.594 1.00 1.00 O ATOM 1613 CB GLN A 101 107.989 7.916 -2.164 1.00 1.00 C ATOM 1614 CG GLN A 101 107.244 9.020 -1.438 1.00 1.00 C ATOM 1615 CD GLN A 101 107.708 9.074 0.012 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.331 8.128 0.499 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.446 10.125 0.735 1.00 1.00 N ATOM 0 H GLN A 101 108.751 6.139 -3.600 1.00 1.00 H new ATOM 0 HA GLN A 101 106.375 7.592 -3.573 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.877 6.975 -1.625 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.055 8.143 -2.192 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.425 9.978 -1.925 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.170 8.839 -1.481 1.00 1.00 H new ATOM 0 HE21 GLN A 101 106.931 10.907 0.330 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.756 10.166 1.706 1.00 1.00 H new ATOM 1626 N TYR A 102 108.913 9.303 -4.744 1.00 1.00 N ATOM 1627 CA TYR A 102 109.217 10.524 -5.459 1.00 1.00 C ATOM 1628 C TYR A 102 109.150 10.339 -6.961 1.00 1.00 C ATOM 1629 O TYR A 102 109.593 11.195 -7.731 1.00 1.00 O ATOM 1630 CB TYR A 102 110.596 11.075 -5.051 1.00 1.00 C ATOM 1631 CG TYR A 102 110.481 11.778 -3.706 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.605 12.865 -3.555 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.210 11.315 -2.592 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.460 13.484 -2.313 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.049 11.934 -1.346 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.173 13.017 -1.207 1.00 1.00 C ATOM 1637 OH TYR A 102 110.000 13.620 0.020 1.00 1.00 O ATOM 0 H TYR A 102 109.710 8.691 -4.572 1.00 1.00 H new ATOM 0 HA TYR A 102 108.452 11.249 -5.182 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.321 10.263 -4.989 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.961 11.770 -5.807 1.00 1.00 H new ATOM 0 HD1 TYR A 102 109.041 13.223 -4.404 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.892 10.484 -2.699 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.794 14.327 -2.207 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.602 11.575 -0.491 1.00 1.00 H new ATOM 0 HH TYR A 102 109.255 14.255 -0.030 1.00 1.00 H new ATOM 1647 N LYS A 103 108.551 9.222 -7.372 1.00 1.00 N ATOM 1648 CA LYS A 103 108.376 8.922 -8.782 1.00 1.00 C ATOM 1649 C LYS A 103 109.705 9.005 -9.502 1.00 1.00 C ATOM 1650 O LYS A 103 109.824 9.669 -10.532 1.00 1.00 O ATOM 1651 CB LYS A 103 107.379 9.904 -9.412 1.00 1.00 C ATOM 1652 CG LYS A 103 105.987 9.695 -8.806 1.00 1.00 C ATOM 1653 CD LYS A 103 104.998 10.665 -9.465 1.00 1.00 C ATOM 1654 CE LYS A 103 103.607 10.493 -8.849 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.648 11.418 -9.520 1.00 1.00 N ATOM 0 H LYS A 103 108.180 8.511 -6.742 1.00 1.00 H new ATOM 0 HA LYS A 103 107.984 7.909 -8.877 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.709 10.929 -9.243 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.341 9.755 -10.491 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.662 8.666 -8.959 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.017 9.863 -7.729 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.339 11.692 -9.332 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.955 10.480 -10.538 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.273 9.462 -8.961 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.643 10.702 -7.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.703 11.301 -9.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 102.965 12.400 -9.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.607 11.198 -10.536 1.00 1.00 H new ATOM 1669 N VAL A 104 110.704 8.336 -8.954 1.00 1.00 N ATOM 1670 CA VAL A 104 112.017 8.351 -9.552 1.00 1.00 C ATOM 1671 C VAL A 104 112.116 7.222 -10.571 1.00 1.00 C ATOM 1672 O VAL A 104 111.894 6.058 -10.239 1.00 1.00 O ATOM 1673 CB VAL A 104 113.081 8.200 -8.464 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.476 8.204 -9.088 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.966 9.367 -7.484 1.00 1.00 C ATOM 0 H VAL A 104 110.627 7.781 -8.102 1.00 1.00 H new ATOM 0 HA VAL A 104 112.184 9.300 -10.062 1.00 1.00 H new ATOM 0 HB VAL A 104 112.926 7.256 -7.942 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.226 8.096 -8.304 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.563 7.375 -9.790 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.636 9.144 -9.616 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.722 9.265 -6.706 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.118 10.306 -8.017 1.00 1.00 H new ATOM 0 HG23 VAL A 104 111.975 9.364 -7.030 1.00 1.00 H new ATOM 1685 N THR A 105 112.421 7.578 -11.813 1.00 1.00 N ATOM 1686 CA THR A 105 112.512 6.594 -12.875 1.00 1.00 C ATOM 1687 C THR A 105 113.908 6.555 -13.474 1.00 1.00 C ATOM 1688 O THR A 105 114.481 5.483 -13.666 1.00 1.00 O ATOM 1689 CB THR A 105 111.481 6.915 -13.960 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.468 8.313 -14.214 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.093 6.464 -13.494 1.00 1.00 C ATOM 0 H THR A 105 112.608 8.537 -12.105 1.00 1.00 H new ATOM 0 HA THR A 105 112.304 5.611 -12.452 1.00 1.00 H new ATOM 0 HB THR A 105 111.746 6.388 -14.876 1.00 1.00 H new ATOM 0 HG1 THR A 105 110.808 8.513 -14.910 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.358 6.692 -14.266 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.103 5.390 -13.308 1.00 1.00 H new ATOM 0 HG23 THR A 105 109.829 6.989 -12.576 1.00 1.00 H new ATOM 1699 N GLY A 106 114.440 7.729 -13.778 1.00 1.00 N ATOM 1700 CA GLY A 106 115.765 7.819 -14.373 1.00 1.00 C ATOM 1701 C GLY A 106 116.820 8.255 -13.359 1.00 1.00 C ATOM 1702 O GLY A 106 116.543 9.028 -12.444 1.00 1.00 O ATOM 0 H GLY A 106 113.979 8.626 -13.624 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.042 6.851 -14.790 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.743 8.528 -15.201 1.00 1.00 H new ATOM 1706 N PHE A 107 118.039 7.772 -13.568 1.00 1.00 N ATOM 1707 CA PHE A 107 119.179 8.113 -12.716 1.00 1.00 C ATOM 1708 C PHE A 107 120.301 8.670 -13.599 1.00 1.00 C ATOM 1709 O PHE A 107 120.412 8.282 -14.763 1.00 1.00 O ATOM 1710 CB PHE A 107 119.686 6.868 -11.990 1.00 1.00 C ATOM 1711 CG PHE A 107 118.865 5.689 -12.428 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.063 5.140 -13.698 1.00 1.00 C ATOM 1713 CD2 PHE A 107 117.893 5.161 -11.576 1.00 1.00 C ATOM 1714 CE1 PHE A 107 118.284 4.058 -14.120 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.116 4.076 -11.994 1.00 1.00 C ATOM 1716 CZ PHE A 107 117.310 3.525 -13.267 1.00 1.00 C ATOM 0 H PHE A 107 118.268 7.134 -14.330 1.00 1.00 H new ATOM 0 HA PHE A 107 118.871 8.853 -11.977 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.739 6.701 -12.217 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.610 7.002 -10.911 1.00 1.00 H new ATOM 0 HD1 PHE A 107 119.817 5.551 -14.353 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.742 5.590 -10.596 1.00 1.00 H new ATOM 0 HE1 PHE A 107 118.433 3.634 -15.102 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.366 3.663 -11.335 1.00 1.00 H new ATOM 0 HZ PHE A 107 116.708 2.689 -13.591 1.00 1.00 H new ATOM 1726 N PRO A 108 121.134 9.550 -13.097 1.00 1.00 N ATOM 1727 CA PRO A 108 121.066 10.070 -11.698 1.00 1.00 C ATOM 1728 C PRO A 108 119.981 11.125 -11.541 1.00 1.00 C ATOM 1729 O PRO A 108 119.771 11.940 -12.439 1.00 1.00 O ATOM 1730 CB PRO A 108 122.437 10.704 -11.503 1.00 1.00 C ATOM 1731 CG PRO A 108 122.810 11.194 -12.860 1.00 1.00 C ATOM 1732 CD PRO A 108 122.249 10.165 -13.840 1.00 1.00 C ATOM 0 HA PRO A 108 120.828 9.290 -10.975 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.399 11.520 -10.781 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.161 9.980 -11.128 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.391 12.183 -13.048 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.892 11.282 -12.961 1.00 1.00 H new ATOM 0 HD2 PRO A 108 121.906 10.635 -14.762 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.000 9.426 -14.119 1.00 1.00 H new ATOM 1740 N GLU A 109 119.302 11.124 -10.401 1.00 1.00 N ATOM 1741 CA GLU A 109 118.257 12.110 -10.156 1.00 1.00 C ATOM 1742 C GLU A 109 118.358 12.602 -8.725 1.00 1.00 C ATOM 1743 O GLU A 109 118.427 11.802 -7.792 1.00 1.00 O ATOM 1744 CB GLU A 109 116.871 11.503 -10.406 1.00 1.00 C ATOM 1745 CG GLU A 109 115.792 12.575 -10.197 1.00 1.00 C ATOM 1746 CD GLU A 109 114.406 11.995 -10.468 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.299 10.784 -10.570 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.470 12.772 -10.566 1.00 1.00 O ATOM 0 H GLU A 109 119.453 10.461 -9.641 1.00 1.00 H new ATOM 0 HA GLU A 109 118.391 12.947 -10.841 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.814 11.108 -11.420 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.702 10.666 -9.728 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.841 12.955 -9.177 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.976 13.420 -10.861 1.00 1.00 H new ATOM 1755 N LEU A 110 118.380 13.913 -8.551 1.00 1.00 N ATOM 1756 CA LEU A 110 118.482 14.512 -7.238 1.00 1.00 C ATOM 1757 C LEU A 110 117.208 15.299 -6.981 1.00 1.00 C ATOM 1758 O LEU A 110 116.855 16.205 -7.739 1.00 1.00 O ATOM 1759 CB LEU A 110 119.715 15.424 -7.225 1.00 1.00 C ATOM 1760 CG LEU A 110 120.551 15.243 -5.944 1.00 1.00 C ATOM 1761 CD1 LEU A 110 121.923 15.900 -6.136 1.00 1.00 C ATOM 1762 CD2 LEU A 110 119.863 15.913 -4.757 1.00 1.00 C ATOM 0 H LEU A 110 118.328 14.587 -9.315 1.00 1.00 H new ATOM 0 HA LEU A 110 118.595 13.762 -6.455 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.334 15.209 -8.096 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.398 16.464 -7.308 1.00 1.00 H new ATOM 0 HG LEU A 110 120.658 14.176 -5.750 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.517 15.773 -5.231 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.437 15.431 -6.975 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.792 16.963 -6.338 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.468 15.775 -3.861 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.748 16.978 -4.957 1.00 1.00 H new ATOM 0 HD23 LEU A 110 118.881 15.465 -4.605 1.00 1.00 H new ATOM 1774 N VAL A 111 116.508 14.919 -5.922 1.00 1.00 N ATOM 1775 CA VAL A 111 115.256 15.554 -5.574 1.00 1.00 C ATOM 1776 C VAL A 111 115.366 16.232 -4.224 1.00 1.00 C ATOM 1777 O VAL A 111 115.833 15.635 -3.253 1.00 1.00 O ATOM 1778 CB VAL A 111 114.132 14.514 -5.576 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.769 14.166 -7.021 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.605 13.261 -4.863 1.00 1.00 C ATOM 0 H VAL A 111 116.792 14.171 -5.290 1.00 1.00 H new ATOM 0 HA VAL A 111 115.023 16.319 -6.315 1.00 1.00 H new ATOM 0 HB VAL A 111 113.258 14.918 -5.065 1.00 1.00 H new ATOM 0 HG11 VAL A 111 112.969 13.426 -7.027 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.435 15.065 -7.539 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.644 13.759 -7.528 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.807 12.519 -4.863 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.476 12.856 -5.378 1.00 1.00 H new ATOM 0 HG23 VAL A 111 114.872 13.506 -3.835 1.00 1.00 H new ATOM 1790 N PHE A 112 114.955 17.480 -4.173 1.00 1.00 N ATOM 1791 CA PHE A 112 115.026 18.248 -2.946 1.00 1.00 C ATOM 1792 C PHE A 112 113.672 18.264 -2.265 1.00 1.00 C ATOM 1793 O PHE A 112 112.662 18.599 -2.884 1.00 1.00 O ATOM 1794 CB PHE A 112 115.484 19.666 -3.274 1.00 1.00 C ATOM 1795 CG PHE A 112 116.838 19.581 -3.938 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.990 19.377 -3.168 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.934 19.676 -5.331 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.238 19.273 -3.792 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.179 19.567 -5.954 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.332 19.365 -5.186 1.00 1.00 C ATOM 0 H PHE A 112 114.567 17.987 -4.968 1.00 1.00 H new ATOM 0 HA PHE A 112 115.742 17.791 -2.263 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.767 20.154 -3.934 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.542 20.266 -2.366 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.915 19.300 -2.093 1.00 1.00 H new ATOM 0 HD2 PHE A 112 116.045 19.834 -5.924 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.128 19.122 -3.199 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.252 19.639 -7.029 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.294 19.280 -5.669 1.00 1.00 H new ATOM 1810 N ILE A 113 113.660 17.888 -0.984 1.00 1.00 N ATOM 1811 CA ILE A 113 112.428 17.858 -0.204 1.00 1.00 C ATOM 1812 C ILE A 113 112.594 18.561 1.132 1.00 1.00 C ATOM 1813 O ILE A 113 113.689 18.633 1.684 1.00 1.00 O ATOM 1814 CB ILE A 113 111.971 16.422 0.039 1.00 1.00 C ATOM 1815 CG1 ILE A 113 113.092 15.629 0.705 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.592 15.766 -1.280 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.554 14.266 1.141 1.00 1.00 C ATOM 0 H ILE A 113 114.492 17.601 -0.468 1.00 1.00 H new ATOM 0 HA ILE A 113 111.672 18.386 -0.786 1.00 1.00 H new ATOM 0 HB ILE A 113 111.100 16.433 0.694 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.924 15.500 0.012 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.477 16.174 1.567 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.267 14.742 -1.097 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.781 16.326 -1.745 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.456 15.759 -1.945 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.351 13.696 1.617 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.736 14.407 1.848 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.190 13.723 0.269 1.00 1.00 H new ATOM 1829 N ASP A 114 111.463 19.002 1.677 1.00 1.00 N ATOM 1830 CA ASP A 114 111.434 19.620 2.986 1.00 1.00 C ATOM 1831 C ASP A 114 111.273 18.496 3.995 1.00 1.00 C ATOM 1832 O ASP A 114 111.236 17.324 3.630 1.00 1.00 O ATOM 1833 CB ASP A 114 110.252 20.596 3.105 1.00 1.00 C ATOM 1834 CG ASP A 114 110.622 21.957 2.521 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.586 22.539 2.994 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.938 22.399 1.614 1.00 1.00 O ATOM 0 H ASP A 114 110.552 18.939 1.223 1.00 1.00 H new ATOM 0 HA ASP A 114 112.348 20.189 3.160 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.385 20.192 2.581 1.00 1.00 H new ATOM 0 HB3 ASP A 114 109.969 20.708 4.152 1.00 1.00 H new ATOM 1841 N ALA A 115 111.203 18.846 5.257 1.00 1.00 N ATOM 1842 CA ALA A 115 111.073 17.854 6.318 1.00 1.00 C ATOM 1843 C ALA A 115 109.690 17.218 6.307 1.00 1.00 C ATOM 1844 O ALA A 115 109.461 16.208 6.974 1.00 1.00 O ATOM 1845 CB ALA A 115 111.298 18.531 7.666 1.00 1.00 C ATOM 0 H ALA A 115 111.233 19.812 5.583 1.00 1.00 H new ATOM 0 HA ALA A 115 111.816 17.073 6.153 1.00 1.00 H new ATOM 0 HB1 ALA A 115 111.202 17.794 8.464 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.297 18.966 7.692 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.556 19.317 7.807 1.00 1.00 H new ATOM 1851 N GLU A 116 108.773 17.799 5.544 1.00 1.00 N ATOM 1852 CA GLU A 116 107.421 17.277 5.449 1.00 1.00 C ATOM 1853 C GLU A 116 107.273 16.457 4.169 1.00 1.00 C ATOM 1854 O GLU A 116 106.209 15.905 3.894 1.00 1.00 O ATOM 1855 CB GLU A 116 106.422 18.435 5.462 1.00 1.00 C ATOM 1856 CG GLU A 116 106.487 19.148 6.820 1.00 1.00 C ATOM 1857 CD GLU A 116 105.476 20.291 6.862 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.763 20.461 5.888 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.430 20.976 7.871 1.00 1.00 O ATOM 0 H GLU A 116 108.944 18.633 4.982 1.00 1.00 H new ATOM 0 HA GLU A 116 107.219 16.630 6.302 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.650 19.136 4.659 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.414 18.062 5.282 1.00 1.00 H new ATOM 0 HG2 GLU A 116 106.280 18.439 7.622 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.492 19.535 6.989 1.00 1.00 H new ATOM 1866 N GLY A 117 108.354 16.352 3.407 1.00 1.00 N ATOM 1867 CA GLY A 117 108.318 15.559 2.186 1.00 1.00 C ATOM 1868 C GLY A 117 107.824 16.352 0.989 1.00 1.00 C ATOM 1869 O GLY A 117 107.511 15.774 -0.050 1.00 1.00 O ATOM 0 H GLY A 117 109.250 16.796 3.607 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.317 15.176 1.976 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.671 14.695 2.337 1.00 1.00 H new ATOM 1873 N LYS A 118 107.774 17.674 1.107 1.00 1.00 N ATOM 1874 CA LYS A 118 107.338 18.489 -0.012 1.00 1.00 C ATOM 1875 C LYS A 118 108.518 18.757 -0.921 1.00 1.00 C ATOM 1876 O LYS A 118 109.596 19.086 -0.448 1.00 1.00 O ATOM 1877 CB LYS A 118 106.714 19.794 0.476 1.00 1.00 C ATOM 1878 CG LYS A 118 105.317 19.491 1.000 1.00 1.00 C ATOM 1879 CD LYS A 118 104.661 20.774 1.507 1.00 1.00 C ATOM 1880 CE LYS A 118 103.305 20.421 2.123 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.642 21.650 2.646 1.00 1.00 N ATOM 0 H LYS A 118 108.025 18.192 1.949 1.00 1.00 H new ATOM 0 HA LYS A 118 106.572 17.952 -0.571 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.326 20.237 1.262 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.665 20.519 -0.337 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.710 19.050 0.209 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.372 18.758 1.805 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.298 21.257 2.248 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.531 21.481 0.688 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.670 19.947 1.375 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.440 19.700 2.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 101.723 21.398 3.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.243 22.086 3.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.497 22.324 1.868 1.00 1.00 H new ATOM 1895 N GLN A 119 108.311 18.591 -2.217 1.00 1.00 N ATOM 1896 CA GLN A 119 109.376 18.778 -3.187 1.00 1.00 C ATOM 1897 C GLN A 119 109.611 20.251 -3.513 1.00 1.00 C ATOM 1898 O GLN A 119 108.688 20.967 -3.907 1.00 1.00 O ATOM 1899 CB GLN A 119 109.023 17.980 -4.444 1.00 1.00 C ATOM 1900 CG GLN A 119 109.600 18.652 -5.680 1.00 1.00 C ATOM 1901 CD GLN A 119 109.466 17.713 -6.869 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.352 17.341 -7.239 1.00 1.00 O ATOM 1903 NE2 GLN A 119 110.534 17.298 -7.491 1.00 1.00 N ATOM 0 H GLN A 119 107.413 18.327 -2.622 1.00 1.00 H new ATOM 0 HA GLN A 119 110.312 18.415 -2.763 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.412 16.965 -4.359 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.940 17.899 -4.539 1.00 1.00 H new ATOM 0 HG2 GLN A 119 109.075 19.587 -5.879 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.648 18.903 -5.516 1.00 1.00 H new ATOM 0 HE21 GLN A 119 111.456 17.607 -7.183 1.00 1.00 H new ATOM 0 HE22 GLN A 119 110.448 16.664 -8.285 1.00 1.00 H new ATOM 1912 N LEU A 120 110.859 20.688 -3.354 1.00 1.00 N ATOM 1913 CA LEU A 120 111.218 22.071 -3.645 1.00 1.00 C ATOM 1914 C LEU A 120 111.811 22.201 -5.042 1.00 1.00 C ATOM 1915 O LEU A 120 111.653 23.231 -5.697 1.00 1.00 O ATOM 1916 CB LEU A 120 112.263 22.580 -2.641 1.00 1.00 C ATOM 1917 CG LEU A 120 111.759 22.370 -1.207 1.00 1.00 C ATOM 1918 CD1 LEU A 120 112.203 21.014 -0.680 1.00 1.00 C ATOM 1919 CD2 LEU A 120 112.324 23.446 -0.289 1.00 1.00 C ATOM 0 H LEU A 120 111.632 20.108 -3.028 1.00 1.00 H new ATOM 0 HA LEU A 120 110.304 22.661 -3.574 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.205 22.052 -2.785 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.461 23.638 -2.814 1.00 1.00 H new ATOM 0 HG LEU A 120 110.670 22.423 -1.223 1.00 1.00 H new ATOM 0 HD11 LEU A 120 111.837 20.882 0.338 1.00 1.00 H new ATOM 0 HD12 LEU A 120 111.799 20.226 -1.316 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.292 20.961 -0.684 1.00 1.00 H new ATOM 0 HD21 LEU A 120 111.959 23.287 0.726 1.00 1.00 H new ATOM 0 HD22 LEU A 120 113.413 23.395 -0.296 1.00 1.00 H new ATOM 0 HD23 LEU A 120 112.005 24.428 -0.639 1.00 1.00 H new ATOM 1931 N ALA A 121 112.489 21.144 -5.500 1.00 1.00 N ATOM 1932 CA ALA A 121 113.098 21.146 -6.825 1.00 1.00 C ATOM 1933 C ALA A 121 113.721 19.786 -7.146 1.00 1.00 C ATOM 1934 O ALA A 121 113.893 18.952 -6.261 1.00 1.00 O ATOM 1935 CB ALA A 121 114.193 22.204 -6.897 1.00 1.00 C ATOM 0 H ALA A 121 112.627 20.282 -4.972 1.00 1.00 H new ATOM 0 HA ALA A 121 112.312 21.364 -7.548 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.641 22.197 -7.891 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.763 23.186 -6.700 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.959 21.987 -6.152 1.00 1.00 H new ATOM 1941 N ARG A 122 114.062 19.573 -8.412 1.00 1.00 N ATOM 1942 CA ARG A 122 114.674 18.313 -8.829 1.00 1.00 C ATOM 1943 C ARG A 122 115.635 18.548 -9.993 1.00 1.00 C ATOM 1944 O ARG A 122 115.349 19.343 -10.889 1.00 1.00 O ATOM 1945 CB ARG A 122 113.583 17.317 -9.239 1.00 1.00 C ATOM 1946 CG ARG A 122 112.804 17.852 -10.446 1.00 1.00 C ATOM 1947 CD ARG A 122 111.702 16.854 -10.808 1.00 1.00 C ATOM 1948 NE ARG A 122 110.994 17.276 -12.013 1.00 1.00 N ATOM 1949 CZ ARG A 122 109.963 18.106 -11.944 1.00 1.00 C ATOM 1950 NH1 ARG A 122 109.586 18.576 -10.788 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.326 18.450 -13.034 1.00 1.00 N ATOM 0 H ARG A 122 113.927 20.249 -9.163 1.00 1.00 H new ATOM 0 HA ARG A 122 115.238 17.901 -7.992 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.032 16.355 -9.485 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.903 17.147 -8.404 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.370 18.824 -10.213 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.474 17.997 -11.293 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.137 15.867 -10.963 1.00 1.00 H new ATOM 0 HD3 ARG A 122 110.999 16.766 -9.980 1.00 1.00 H new ATOM 0 HE ARG A 122 111.297 16.927 -12.922 1.00 1.00 H new ATOM 0 HH11 ARG A 122 110.084 18.305 -9.940 1.00 1.00 H new ATOM 0 HH12 ARG A 122 108.793 19.215 -10.731 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.623 18.079 -13.937 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.533 19.089 -12.981 1.00 1.00 H new ATOM 1965 N MET A 123 116.768 17.840 -9.982 1.00 1.00 N ATOM 1966 CA MET A 123 117.738 17.974 -11.060 1.00 1.00 C ATOM 1967 C MET A 123 118.446 16.645 -11.329 1.00 1.00 C ATOM 1968 O MET A 123 118.503 15.766 -10.467 1.00 1.00 O ATOM 1969 CB MET A 123 118.810 19.019 -10.730 1.00 1.00 C ATOM 1970 CG MET A 123 118.170 20.354 -10.335 1.00 1.00 C ATOM 1971 SD MET A 123 119.438 21.645 -10.358 1.00 1.00 S ATOM 1972 CE MET A 123 120.121 21.333 -8.712 1.00 1.00 C ATOM 0 H MET A 123 117.029 17.180 -9.249 1.00 1.00 H new ATOM 0 HA MET A 123 117.178 18.289 -11.940 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.438 18.657 -9.916 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.460 19.164 -11.593 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.365 20.605 -11.026 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.726 20.280 -9.342 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.169 21.631 -8.691 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.565 21.909 -7.972 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.041 20.271 -8.480 1.00 1.00 H new ATOM 1982 N GLY A 124 118.995 16.527 -12.528 1.00 1.00 N ATOM 1983 CA GLY A 124 119.714 15.319 -12.917 1.00 1.00 C ATOM 1984 C GLY A 124 121.154 15.656 -13.239 1.00 1.00 C ATOM 1985 O GLY A 124 121.740 16.557 -12.638 1.00 1.00 O ATOM 0 H GLY A 124 118.958 17.249 -13.248 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.675 14.587 -12.111 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.235 14.864 -13.784 1.00 1.00 H new ATOM 1989 N PHE A 125 121.709 14.960 -14.216 1.00 1.00 N ATOM 1990 CA PHE A 125 123.069 15.227 -14.637 1.00 1.00 C ATOM 1991 C PHE A 125 123.060 16.440 -15.551 1.00 1.00 C ATOM 1992 O PHE A 125 122.239 16.522 -16.466 1.00 1.00 O ATOM 1993 CB PHE A 125 123.633 14.019 -15.384 1.00 1.00 C ATOM 1994 CG PHE A 125 124.950 14.381 -16.031 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.056 14.702 -15.235 1.00 1.00 C ATOM 1996 CD2 PHE A 125 125.069 14.382 -17.428 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.280 15.020 -15.834 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.293 14.703 -18.026 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.399 15.022 -17.229 1.00 1.00 C ATOM 0 H PHE A 125 121.241 14.212 -14.728 1.00 1.00 H new ATOM 0 HA PHE A 125 123.696 15.419 -13.766 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.774 13.187 -14.694 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.925 13.687 -16.143 1.00 1.00 H new ATOM 0 HD1 PHE A 125 125.965 14.704 -14.159 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.216 14.135 -18.043 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.134 15.264 -15.219 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.384 14.705 -19.102 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.344 15.270 -17.690 1.00 1.00 H new ATOM 2009 N GLU A 126 123.956 17.384 -15.308 1.00 1.00 N ATOM 2010 CA GLU A 126 124.016 18.586 -16.129 1.00 1.00 C ATOM 2011 C GLU A 126 125.463 19.046 -16.293 1.00 1.00 C ATOM 2012 O GLU A 126 126.232 19.005 -15.330 1.00 1.00 O ATOM 2013 CB GLU A 126 123.226 19.712 -15.463 1.00 1.00 C ATOM 2014 CG GLU A 126 121.737 19.553 -15.765 1.00 1.00 C ATOM 2015 CD GLU A 126 120.926 20.501 -14.889 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.326 21.648 -14.764 1.00 1.00 O ATOM 2017 OE2 GLU A 126 119.921 20.067 -14.356 1.00 1.00 O ATOM 0 H GLU A 126 124.645 17.344 -14.557 1.00 1.00 H new ATOM 0 HA GLU A 126 123.590 18.353 -17.105 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.391 19.696 -14.386 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.578 20.678 -15.825 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.546 19.763 -16.817 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.428 18.523 -15.585 1.00 1.00 H new ATOM 2024 N PRO A 127 125.858 19.511 -17.456 1.00 1.00 N ATOM 2025 CA PRO A 127 127.245 20.008 -17.669 1.00 1.00 C ATOM 2026 C PRO A 127 127.441 21.381 -17.035 1.00 1.00 C ATOM 2027 O PRO A 127 126.476 22.117 -16.829 1.00 1.00 O ATOM 2028 CB PRO A 127 127.368 20.080 -19.190 1.00 1.00 C ATOM 2029 CG PRO A 127 125.990 20.376 -19.651 1.00 1.00 C ATOM 2030 CD PRO A 127 125.058 19.630 -18.691 1.00 1.00 C ATOM 0 HA PRO A 127 128.000 19.367 -17.213 1.00 1.00 H new ATOM 0 HB2 PRO A 127 128.067 20.858 -19.497 1.00 1.00 H new ATOM 0 HB3 PRO A 127 127.734 19.141 -19.605 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.793 21.448 -19.632 1.00 1.00 H new ATOM 0 HG3 PRO A 127 125.841 20.043 -20.678 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.134 20.182 -18.519 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.777 18.652 -19.083 1.00 1.00 H new ATOM 2038 N GLY A 128 128.688 21.711 -16.726 1.00 1.00 N ATOM 2039 CA GLY A 128 128.984 23.001 -16.111 1.00 1.00 C ATOM 2040 C GLY A 128 129.826 22.857 -14.854 1.00 1.00 C ATOM 2041 O GLY A 128 130.510 23.807 -14.476 1.00 1.00 O ATOM 0 H GLY A 128 129.500 21.115 -16.887 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.509 23.632 -16.828 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.051 23.507 -15.865 1.00 1.00 H new ATOM 2045 N GLY A 129 129.818 21.697 -14.201 1.00 1.00 N ATOM 2046 CA GLY A 129 130.635 21.516 -13.015 1.00 1.00 C ATOM 2047 C GLY A 129 129.884 21.795 -11.715 1.00 1.00 C ATOM 2048 O GLY A 129 128.689 22.091 -11.713 1.00 1.00 O ATOM 0 H GLY A 129 129.264 20.884 -14.471 1.00 1.00 H new ATOM 0 HA2 GLY A 129 131.013 20.494 -12.996 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.501 22.175 -13.075 1.00 1.00 H new ATOM 2052 N GLY A 130 130.593 21.612 -10.607 1.00 1.00 N ATOM 2053 CA GLY A 130 129.984 21.755 -9.287 1.00 1.00 C ATOM 2054 C GLY A 130 129.490 23.162 -8.975 1.00 1.00 C ATOM 2055 O GLY A 130 128.424 23.321 -8.383 1.00 1.00 O ATOM 0 H GLY A 130 131.583 21.366 -10.594 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.146 21.062 -9.209 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.711 21.461 -8.530 1.00 1.00 H new ATOM 2059 N ALA A 131 130.256 24.178 -9.345 1.00 1.00 N ATOM 2060 CA ALA A 131 129.867 25.556 -9.065 1.00 1.00 C ATOM 2061 C ALA A 131 128.556 25.898 -9.753 1.00 1.00 C ATOM 2062 O ALA A 131 127.668 26.517 -9.167 1.00 1.00 O ATOM 2063 CB ALA A 131 130.930 26.506 -9.598 1.00 1.00 C ATOM 0 H ALA A 131 131.144 24.078 -9.836 1.00 1.00 H new ATOM 0 HA ALA A 131 129.756 25.659 -7.986 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.637 27.535 -9.388 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.883 26.294 -9.114 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.032 26.371 -10.675 1.00 1.00 H new ATOM 2069 N ALA A 132 128.458 25.540 -11.015 1.00 1.00 N ATOM 2070 CA ALA A 132 127.270 25.848 -11.781 1.00 1.00 C ATOM 2071 C ALA A 132 126.037 25.113 -11.239 1.00 1.00 C ATOM 2072 O ALA A 132 124.937 25.674 -11.212 1.00 1.00 O ATOM 2073 CB ALA A 132 127.506 25.467 -13.236 1.00 1.00 C ATOM 0 H ALA A 132 129.182 25.038 -11.530 1.00 1.00 H new ATOM 0 HA ALA A 132 127.074 26.917 -11.698 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.615 25.696 -13.821 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.352 26.032 -13.627 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.720 24.400 -13.303 1.00 1.00 H new ATOM 2079 N TYR A 133 126.219 23.858 -10.824 1.00 1.00 N ATOM 2080 CA TYR A 133 125.120 23.040 -10.302 1.00 1.00 C ATOM 2081 C TYR A 133 124.536 23.645 -9.032 1.00 1.00 C ATOM 2082 O TYR A 133 123.319 23.667 -8.850 1.00 1.00 O ATOM 2083 CB TYR A 133 125.625 21.627 -9.996 1.00 1.00 C ATOM 2084 CG TYR A 133 124.470 20.748 -9.571 1.00 1.00 C ATOM 2085 CD1 TYR A 133 124.047 20.711 -8.231 1.00 1.00 C ATOM 2086 CD2 TYR A 133 123.818 19.966 -10.529 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.973 19.889 -7.861 1.00 1.00 C ATOM 2088 CE2 TYR A 133 122.747 19.146 -10.157 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.323 19.108 -8.825 1.00 1.00 C ATOM 2090 OH TYR A 133 121.266 18.300 -8.459 1.00 1.00 O ATOM 0 H TYR A 133 127.122 23.383 -10.839 1.00 1.00 H new ATOM 0 HA TYR A 133 124.339 23.004 -11.062 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.109 21.206 -10.877 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.376 21.663 -9.207 1.00 1.00 H new ATOM 0 HD1 TYR A 133 124.548 21.314 -7.488 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.142 19.995 -11.559 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.647 19.858 -6.832 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.247 18.542 -10.900 1.00 1.00 H new ATOM 0 HH TYR A 133 120.948 18.560 -7.569 1.00 1.00 H new ATOM 2100 N VAL A 134 125.405 24.110 -8.142 1.00 1.00 N ATOM 2101 CA VAL A 134 124.930 24.677 -6.895 1.00 1.00 C ATOM 2102 C VAL A 134 124.160 25.963 -7.147 1.00 1.00 C ATOM 2103 O VAL A 134 123.202 26.259 -6.453 1.00 1.00 O ATOM 2104 CB VAL A 134 126.073 24.908 -5.919 1.00 1.00 C ATOM 2105 CG1 VAL A 134 126.683 23.569 -5.524 1.00 1.00 C ATOM 2106 CG2 VAL A 134 127.138 25.774 -6.554 1.00 1.00 C ATOM 0 H VAL A 134 126.418 24.105 -8.259 1.00 1.00 H new ATOM 0 HA VAL A 134 124.250 23.957 -6.439 1.00 1.00 H new ATOM 0 HB VAL A 134 125.684 25.413 -5.035 1.00 1.00 H new ATOM 0 HG11 VAL A 134 127.502 23.735 -4.824 1.00 1.00 H new ATOM 0 HG12 VAL A 134 125.922 22.948 -5.051 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.062 23.065 -6.413 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.950 25.931 -5.844 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.525 25.280 -7.445 1.00 1.00 H new ATOM 0 HG23 VAL A 134 126.707 26.736 -6.831 1.00 1.00 H new ATOM 2116 N SER A 135 124.565 26.747 -8.128 1.00 1.00 N ATOM 2117 CA SER A 135 123.844 27.979 -8.398 1.00 1.00 C ATOM 2118 C SER A 135 122.391 27.659 -8.740 1.00 1.00 C ATOM 2119 O SER A 135 121.465 28.359 -8.329 1.00 1.00 O ATOM 2120 CB SER A 135 124.488 28.731 -9.566 1.00 1.00 C ATOM 2121 OG SER A 135 125.825 29.069 -9.228 1.00 1.00 O ATOM 0 H SER A 135 125.364 26.563 -8.735 1.00 1.00 H new ATOM 0 HA SER A 135 123.883 28.608 -7.509 1.00 1.00 H new ATOM 0 HB2 SER A 135 124.473 28.113 -10.464 1.00 1.00 H new ATOM 0 HB3 SER A 135 123.919 29.633 -9.791 1.00 1.00 H new ATOM 0 HG SER A 135 126.374 28.257 -9.215 1.00 1.00 H new ATOM 2127 N LYS A 136 122.218 26.605 -9.526 1.00 1.00 N ATOM 2128 CA LYS A 136 120.888 26.192 -9.967 1.00 1.00 C ATOM 2129 C LYS A 136 120.012 25.714 -8.815 1.00 1.00 C ATOM 2130 O LYS A 136 118.822 26.025 -8.765 1.00 1.00 O ATOM 2131 CB LYS A 136 121.019 25.086 -11.002 1.00 1.00 C ATOM 2132 CG LYS A 136 121.656 25.667 -12.252 1.00 1.00 C ATOM 2133 CD LYS A 136 121.830 24.559 -13.277 1.00 1.00 C ATOM 2134 CE LYS A 136 122.387 25.161 -14.558 1.00 1.00 C ATOM 2135 NZ LYS A 136 122.630 24.077 -15.544 1.00 1.00 N ATOM 0 H LYS A 136 122.979 26.020 -9.872 1.00 1.00 H new ATOM 0 HA LYS A 136 120.402 27.066 -10.401 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.628 24.271 -10.610 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.040 24.668 -11.235 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.031 26.462 -12.659 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.621 26.112 -12.011 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.505 23.794 -12.895 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.875 24.072 -13.473 1.00 1.00 H new ATOM 0 HE2 LYS A 136 121.686 25.889 -14.966 1.00 1.00 H new ATOM 0 HE3 LYS A 136 123.315 25.694 -14.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 123.651 23.889 -15.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 122.138 23.213 -15.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 122.272 24.369 -16.476 1.00 1.00 H new ATOM 2149 N VAL A 137 120.594 24.956 -7.893 1.00 1.00 N ATOM 2150 CA VAL A 137 119.817 24.455 -6.771 1.00 1.00 C ATOM 2151 C VAL A 137 119.352 25.620 -5.902 1.00 1.00 C ATOM 2152 O VAL A 137 118.235 25.613 -5.390 1.00 1.00 O ATOM 2153 CB VAL A 137 120.617 23.402 -5.969 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.569 24.067 -5.013 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.662 22.515 -5.159 1.00 1.00 C ATOM 0 H VAL A 137 121.576 24.681 -7.899 1.00 1.00 H new ATOM 0 HA VAL A 137 118.929 23.947 -7.147 1.00 1.00 H new ATOM 0 HB VAL A 137 121.178 22.799 -6.683 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.120 23.306 -4.460 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.269 24.689 -5.571 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.008 24.688 -4.314 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.237 21.778 -4.599 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.091 23.133 -4.466 1.00 1.00 H new ATOM 0 HG23 VAL A 137 118.978 22.003 -5.836 1.00 1.00 H new ATOM 2165 N LYS A 138 120.216 26.618 -5.735 1.00 1.00 N ATOM 2166 CA LYS A 138 119.875 27.771 -4.917 1.00 1.00 C ATOM 2167 C LYS A 138 118.643 28.486 -5.475 1.00 1.00 C ATOM 2168 O LYS A 138 117.755 28.873 -4.722 1.00 1.00 O ATOM 2169 CB LYS A 138 121.058 28.745 -4.846 1.00 1.00 C ATOM 2170 CG LYS A 138 122.185 28.126 -4.012 1.00 1.00 C ATOM 2171 CD LYS A 138 123.402 29.057 -4.029 1.00 1.00 C ATOM 2172 CE LYS A 138 124.537 28.442 -3.207 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.757 29.295 -3.322 1.00 1.00 N ATOM 0 H LYS A 138 121.147 26.649 -6.151 1.00 1.00 H new ATOM 0 HA LYS A 138 119.646 27.418 -3.911 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.417 28.971 -5.850 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.739 29.688 -4.402 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.849 27.968 -2.987 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.455 27.149 -4.414 1.00 1.00 H new ATOM 0 HD2 LYS A 138 123.731 29.221 -5.055 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.132 30.031 -3.621 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.238 28.356 -2.162 1.00 1.00 H new ATOM 0 HE3 LYS A 138 124.751 27.434 -3.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 126.527 28.876 -2.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 126.046 29.355 -4.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.549 30.249 -2.964 1.00 1.00 H new ATOM 2187 N SER A 139 118.587 28.667 -6.787 1.00 1.00 N ATOM 2188 CA SER A 139 117.447 29.343 -7.391 1.00 1.00 C ATOM 2189 C SER A 139 116.186 28.507 -7.247 1.00 1.00 C ATOM 2190 O SER A 139 115.097 29.029 -7.016 1.00 1.00 O ATOM 2191 CB SER A 139 117.715 29.594 -8.871 1.00 1.00 C ATOM 2192 OG SER A 139 118.692 30.614 -8.997 1.00 1.00 O ATOM 0 H SER A 139 119.304 28.361 -7.444 1.00 1.00 H new ATOM 0 HA SER A 139 117.303 30.293 -6.876 1.00 1.00 H new ATOM 0 HB2 SER A 139 118.062 28.679 -9.351 1.00 1.00 H new ATOM 0 HB3 SER A 139 116.795 29.890 -9.375 1.00 1.00 H new ATOM 0 HG SER A 139 118.871 30.780 -9.946 1.00 1.00 H new ATOM 2198 N ALA A 140 116.350 27.205 -7.402 1.00 1.00 N ATOM 2199 CA ALA A 140 115.237 26.281 -7.320 1.00 1.00 C ATOM 2200 C ALA A 140 114.652 26.225 -5.916 1.00 1.00 C ATOM 2201 O ALA A 140 113.435 26.170 -5.745 1.00 1.00 O ATOM 2202 CB ALA A 140 115.726 24.901 -7.742 1.00 1.00 C ATOM 0 H ALA A 140 117.251 26.763 -7.587 1.00 1.00 H new ATOM 0 HA ALA A 140 114.443 26.624 -7.983 1.00 1.00 H new ATOM 0 HB1 ALA A 140 114.901 24.190 -7.687 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.100 24.945 -8.765 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.527 24.580 -7.076 1.00 1.00 H new ATOM 2208 N LEU A 141 115.510 26.222 -4.917 1.00 1.00 N ATOM 2209 CA LEU A 141 115.043 26.144 -3.544 1.00 1.00 C ATOM 2210 C LEU A 141 114.748 27.528 -2.955 1.00 1.00 C ATOM 2211 O LEU A 141 114.296 27.625 -1.817 1.00 1.00 O ATOM 2212 CB LEU A 141 116.089 25.424 -2.688 1.00 1.00 C ATOM 2213 CG LEU A 141 115.869 23.906 -2.737 1.00 1.00 C ATOM 2214 CD1 LEU A 141 115.924 23.415 -4.180 1.00 1.00 C ATOM 2215 CD2 LEU A 141 116.968 23.210 -1.929 1.00 1.00 C ATOM 0 H LEU A 141 116.523 26.272 -5.025 1.00 1.00 H new ATOM 0 HA LEU A 141 114.108 25.584 -3.542 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.090 25.664 -3.047 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.028 25.774 -1.657 1.00 1.00 H new ATOM 0 HG LEU A 141 114.891 23.674 -2.316 1.00 1.00 H new ATOM 0 HD11 LEU A 141 115.767 22.337 -4.204 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.145 23.908 -4.762 1.00 1.00 H new ATOM 0 HD13 LEU A 141 116.899 23.649 -4.607 1.00 1.00 H new ATOM 0 HD21 LEU A 141 116.815 22.131 -1.961 1.00 1.00 H new ATOM 0 HD22 LEU A 141 117.942 23.452 -2.355 1.00 1.00 H new ATOM 0 HD23 LEU A 141 116.930 23.551 -0.894 1.00 1.00 H new ATOM 2227 N LYS A 142 115.005 28.600 -3.716 1.00 1.00 N ATOM 2228 CA LYS A 142 114.767 29.962 -3.234 1.00 1.00 C ATOM 2229 C LYS A 142 115.627 30.255 -2.009 1.00 1.00 C ATOM 2230 O LYS A 142 115.138 30.773 -1.006 1.00 1.00 O ATOM 2231 CB LYS A 142 113.285 30.174 -2.882 1.00 1.00 C ATOM 2232 CG LYS A 142 112.381 29.794 -4.063 1.00 1.00 C ATOM 2233 CD LYS A 142 112.432 30.882 -5.138 1.00 1.00 C ATOM 2234 CE LYS A 142 111.458 30.528 -6.258 1.00 1.00 C ATOM 2235 NZ LYS A 142 111.461 31.621 -7.267 1.00 1.00 N ATOM 0 H LYS A 142 115.376 28.548 -4.665 1.00 1.00 H new ATOM 0 HA LYS A 142 115.038 30.648 -4.037 1.00 1.00 H new ATOM 0 HB2 LYS A 142 113.024 29.572 -2.011 1.00 1.00 H new ATOM 0 HB3 LYS A 142 113.117 31.216 -2.611 1.00 1.00 H new ATOM 0 HG2 LYS A 142 112.702 28.841 -4.484 1.00 1.00 H new ATOM 0 HG3 LYS A 142 111.356 29.661 -3.718 1.00 1.00 H new ATOM 0 HD2 LYS A 142 112.172 31.849 -4.706 1.00 1.00 H new ATOM 0 HD3 LYS A 142 113.443 30.971 -5.534 1.00 1.00 H new ATOM 0 HE2 LYS A 142 111.746 29.585 -6.723 1.00 1.00 H new ATOM 0 HE3 LYS A 142 110.455 30.391 -5.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 110.799 31.387 -8.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 111.167 32.511 -6.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 112.419 31.730 -7.657 1.00 1.00 H new ATOM 2249 N LEU A 143 116.915 29.947 -2.108 1.00 1.00 N ATOM 2250 CA LEU A 143 117.848 30.210 -1.019 1.00 1.00 C ATOM 2251 C LEU A 143 118.590 31.513 -1.314 1.00 1.00 C ATOM 2252 O LEU A 143 119.252 31.642 -2.346 1.00 1.00 O ATOM 2253 CB LEU A 143 118.867 29.063 -0.909 1.00 1.00 C ATOM 2254 CG LEU A 143 118.369 27.899 -0.015 1.00 1.00 C ATOM 2255 CD1 LEU A 143 116.836 27.767 -0.006 1.00 1.00 C ATOM 2256 CD2 LEU A 143 118.973 26.591 -0.543 1.00 1.00 C ATOM 0 H LEU A 143 117.337 29.515 -2.930 1.00 1.00 H new ATOM 0 HA LEU A 143 117.299 30.289 -0.081 1.00 1.00 H new ATOM 0 HB2 LEU A 143 119.086 28.681 -1.906 1.00 1.00 H new ATOM 0 HB3 LEU A 143 119.802 29.451 -0.504 1.00 1.00 H new ATOM 0 HG LEU A 143 118.683 28.108 1.008 1.00 1.00 H new ATOM 0 HD11 LEU A 143 116.546 26.936 0.637 1.00 1.00 H new ATOM 0 HD12 LEU A 143 116.394 28.689 0.372 1.00 1.00 H new ATOM 0 HD13 LEU A 143 116.481 27.583 -1.020 1.00 1.00 H new ATOM 0 HD21 LEU A 143 118.634 25.759 0.074 1.00 1.00 H new ATOM 0 HD22 LEU A 143 118.654 26.433 -1.573 1.00 1.00 H new ATOM 0 HD23 LEU A 143 120.061 26.651 -0.505 1.00 1.00 H new