USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 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 Single : A 23 LYS NZ :NH3+ -150:sc= -0.0218 (180deg=-0.947) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 40 MET CE :methyl 172:sc= -0.491 (180deg=-0.675) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -78:sc= -3.8! USER MOD Single : A 48 TYR OH : rot 137:sc= 0.753 USER MOD Single : A 49 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 178:sc= -0.294 (180deg=-0.312) USER MOD Single : A 58 SER OG : rot 126:sc= 1.19 USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-0.00249) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.276 K(o=-0.28,f=-3!) USER MOD Single : A 73 HIS : no HD1:sc= -1.07! C(o=-1.1!,f=-2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -171:sc= -16.9! (180deg=-17.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 81 MET CE :methyl -172:sc= -4.36! (180deg=-4.6!) USER MOD Single : A 83 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 75:sc= 0.586 USER MOD Single : A 93 SER OG : rot 72:sc= -3.16! USER MOD Single : A 94 GLN : amide:sc= -0.966 K(o=-0.97,f=-4!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 CYS SG : rot 100:sc= -6.6! USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000392) USER MOD Single : A 99 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.5) USER MOD Single : A 100 MET CE :methyl -148:sc= -0.0501 (180deg=-0.647) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.12) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.165 -6.304 -5.675 1.00 0.00 N ATOM 356 CA GLU A 19 128.783 -6.753 -6.010 1.00 0.00 C ATOM 357 C GLU A 19 127.770 -6.094 -5.070 1.00 0.00 C ATOM 358 O GLU A 19 126.657 -6.556 -4.920 1.00 0.00 O ATOM 359 CB GLU A 19 128.798 -8.268 -5.803 1.00 0.00 C ATOM 360 CG GLU A 19 129.034 -8.579 -4.324 1.00 0.00 C ATOM 361 CD GLU A 19 130.270 -9.469 -4.179 1.00 0.00 C ATOM 362 OE1 GLU A 19 131.343 -9.023 -4.551 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.122 -10.581 -3.699 1.00 0.00 O ATOM 0 HA GLU A 19 128.496 -6.483 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.852 -8.700 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.582 -8.721 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.172 -7.654 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.162 -9.079 -3.903 1.00 0.00 H new ATOM 370 N ALA A 20 128.147 -5.017 -4.436 1.00 0.00 N ATOM 371 CA ALA A 20 127.204 -4.332 -3.507 1.00 0.00 C ATOM 372 C ALA A 20 126.050 -3.701 -4.291 1.00 0.00 C ATOM 373 O ALA A 20 124.895 -3.921 -3.993 1.00 0.00 O ATOM 374 CB ALA A 20 128.038 -3.251 -2.819 1.00 0.00 C ATOM 0 H ALA A 20 129.066 -4.582 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 20 126.760 -5.022 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.412 -2.701 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.864 -3.716 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.433 -2.565 -3.568 1.00 0.00 H new ATOM 380 N GLU A 21 126.355 -2.916 -5.288 1.00 0.00 N ATOM 381 CA GLU A 21 125.274 -2.267 -6.089 1.00 0.00 C ATOM 382 C GLU A 21 124.127 -3.251 -6.344 1.00 0.00 C ATOM 383 O GLU A 21 122.972 -2.873 -6.390 1.00 0.00 O ATOM 384 CB GLU A 21 125.937 -1.853 -7.408 1.00 0.00 C ATOM 385 CG GLU A 21 126.915 -2.938 -7.869 1.00 0.00 C ATOM 386 CD GLU A 21 126.916 -3.011 -9.397 1.00 0.00 C ATOM 387 OE1 GLU A 21 126.095 -3.735 -9.936 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.738 -2.344 -10.002 1.00 0.00 O ATOM 0 H GLU A 21 127.306 -2.695 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 21 124.842 -1.412 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.176 -1.690 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.465 -0.908 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.918 -2.716 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.629 -3.902 -7.449 1.00 0.00 H new ATOM 395 N ILE A 22 124.431 -4.511 -6.502 1.00 0.00 N ATOM 396 CA ILE A 22 123.351 -5.510 -6.748 1.00 0.00 C ATOM 397 C ILE A 22 122.640 -5.844 -5.436 1.00 0.00 C ATOM 398 O ILE A 22 121.431 -5.952 -5.383 1.00 0.00 O ATOM 399 CB ILE A 22 124.065 -6.743 -7.301 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.956 -6.332 -8.476 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.028 -7.759 -7.781 1.00 0.00 C ATOM 402 CD1 ILE A 22 124.079 -5.931 -9.664 1.00 0.00 C ATOM 0 H ILE A 22 125.377 -4.891 -6.472 1.00 0.00 H new ATOM 0 HA ILE A 22 122.593 -5.139 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 22 124.678 -7.190 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.597 -5.500 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.611 -7.157 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.536 -8.639 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.392 -8.052 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.416 -7.312 -8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.712 -5.638 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.456 -6.776 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.443 -5.093 -9.380 1.00 0.00 H new ATOM 414 N LYS A 23 123.381 -6.003 -4.374 1.00 0.00 N ATOM 415 CA LYS A 23 122.746 -6.324 -3.066 1.00 0.00 C ATOM 416 C LYS A 23 121.806 -5.190 -2.650 1.00 0.00 C ATOM 417 O LYS A 23 120.626 -5.391 -2.453 1.00 0.00 O ATOM 418 CB LYS A 23 123.908 -6.450 -2.080 1.00 0.00 C ATOM 419 CG LYS A 23 123.620 -7.584 -1.096 1.00 0.00 C ATOM 420 CD LYS A 23 123.586 -8.916 -1.848 1.00 0.00 C ATOM 421 CE LYS A 23 123.781 -10.068 -0.859 1.00 0.00 C ATOM 422 NZ LYS A 23 123.310 -11.286 -1.578 1.00 0.00 N ATOM 0 H LYS A 23 124.398 -5.924 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 23 122.149 -7.235 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.835 -6.647 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 23 124.045 -5.512 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.386 -7.611 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 23 122.667 -7.412 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 23 122.635 -9.027 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 23 124.369 -8.937 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.827 -10.163 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 23 123.209 -9.904 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 122.933 -11.970 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 122.563 -11.024 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 124.106 -11.715 -2.093 1.00 0.00 H new ATOM 436 N VAL A 24 122.324 -4.000 -2.519 1.00 0.00 N ATOM 437 CA VAL A 24 121.465 -2.848 -2.119 1.00 0.00 C ATOM 438 C VAL A 24 120.161 -2.852 -2.920 1.00 0.00 C ATOM 439 O VAL A 24 119.081 -2.838 -2.365 1.00 0.00 O ATOM 440 CB VAL A 24 122.292 -1.607 -2.454 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.414 -0.360 -2.340 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.464 -1.496 -1.477 1.00 0.00 C ATOM 0 H VAL A 24 123.307 -3.774 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 24 121.189 -2.887 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 24 122.673 -1.690 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.005 0.524 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.579 -0.438 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.031 -0.276 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.054 -0.611 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.083 -1.414 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.092 -2.383 -1.559 1.00 0.00 H new ATOM 452 N ARG A 25 120.253 -2.863 -4.223 1.00 0.00 N ATOM 453 CA ARG A 25 119.017 -2.859 -5.058 1.00 0.00 C ATOM 454 C ARG A 25 118.074 -3.987 -4.632 1.00 0.00 C ATOM 455 O ARG A 25 116.970 -3.752 -4.183 1.00 0.00 O ATOM 456 CB ARG A 25 119.507 -3.084 -6.488 1.00 0.00 C ATOM 457 CG ARG A 25 118.421 -2.646 -7.473 1.00 0.00 C ATOM 458 CD ARG A 25 119.047 -2.397 -8.847 1.00 0.00 C ATOM 459 NE ARG A 25 117.903 -2.437 -9.800 1.00 0.00 N ATOM 460 CZ ARG A 25 117.938 -1.725 -10.892 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.349 -0.487 -10.850 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.562 -2.249 -12.026 1.00 0.00 N ATOM 0 H ARG A 25 121.129 -2.875 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 25 118.458 -1.929 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.422 -2.518 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.748 -4.136 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.651 -3.414 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 25 117.934 -1.739 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 25 119.556 -1.434 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.789 -3.159 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 25 117.092 -3.022 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.643 -0.077 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 25 118.377 0.070 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 25 117.240 -3.216 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 25 117.590 -1.691 -12.880 1.00 0.00 H new ATOM 476 N GLU A 26 118.501 -5.208 -4.778 1.00 0.00 N ATOM 477 CA GLU A 26 117.633 -6.359 -4.393 1.00 0.00 C ATOM 478 C GLU A 26 117.231 -6.265 -2.916 1.00 0.00 C ATOM 479 O GLU A 26 116.335 -6.951 -2.465 1.00 0.00 O ATOM 480 CB GLU A 26 118.496 -7.599 -4.633 1.00 0.00 C ATOM 481 CG GLU A 26 117.805 -8.514 -5.646 1.00 0.00 C ATOM 482 CD GLU A 26 117.859 -7.874 -7.035 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.110 -6.682 -7.106 1.00 0.00 O ATOM 484 OE2 GLU A 26 117.646 -8.585 -8.003 1.00 0.00 O ATOM 0 H GLU A 26 119.417 -5.462 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 26 116.707 -6.382 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.478 -7.305 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.655 -8.131 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 118.294 -9.488 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.769 -8.682 -5.352 1.00 0.00 H new ATOM 491 N ALA A 27 117.884 -5.426 -2.160 1.00 0.00 N ATOM 492 CA ALA A 27 117.535 -5.297 -0.715 1.00 0.00 C ATOM 493 C ALA A 27 116.402 -4.285 -0.530 1.00 0.00 C ATOM 494 O ALA A 27 115.574 -4.421 0.349 1.00 0.00 O ATOM 495 CB ALA A 27 118.812 -4.798 -0.040 1.00 0.00 C ATOM 0 H ALA A 27 118.643 -4.824 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 27 117.191 -6.240 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.635 -4.678 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.613 -5.521 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.100 -3.839 -0.470 1.00 0.00 H new ATOM 501 N THR A 28 116.360 -3.271 -1.349 1.00 0.00 N ATOM 502 CA THR A 28 115.280 -2.253 -1.217 1.00 0.00 C ATOM 503 C THR A 28 114.089 -2.632 -2.099 1.00 0.00 C ATOM 504 O THR A 28 113.252 -1.810 -2.415 1.00 0.00 O ATOM 505 CB THR A 28 115.910 -0.944 -1.695 1.00 0.00 C ATOM 506 OG1 THR A 28 116.574 -1.165 -2.932 1.00 0.00 O ATOM 507 CG2 THR A 28 116.915 -0.448 -0.655 1.00 0.00 C ATOM 0 H THR A 28 117.026 -3.103 -2.103 1.00 0.00 H new ATOM 0 HA THR A 28 114.906 -2.175 -0.196 1.00 0.00 H new ATOM 0 HB THR A 28 115.131 -0.193 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.977 -0.327 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.363 0.485 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.404 -0.279 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.696 -1.196 -0.518 1.00 0.00 H new ATOM 644 N LEU A 39 120.389 -10.677 2.742 1.00 0.00 N ATOM 645 CA LEU A 39 120.935 -9.679 1.778 1.00 0.00 C ATOM 646 C LEU A 39 121.395 -8.422 2.521 1.00 0.00 C ATOM 647 O LEU A 39 122.450 -7.882 2.255 1.00 0.00 O ATOM 648 CB LEU A 39 119.771 -9.354 0.841 1.00 0.00 C ATOM 649 CG LEU A 39 120.315 -8.974 -0.537 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.076 -10.125 -1.516 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.595 -7.720 -1.039 1.00 0.00 C ATOM 0 HA LEU A 39 121.800 -10.060 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.107 -10.214 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.180 -8.534 1.249 1.00 0.00 H new ATOM 0 HG LEU A 39 121.384 -8.776 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.464 -9.854 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.587 -11.019 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.007 -10.323 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.981 -7.447 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.526 -7.919 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.765 -6.899 -0.342 1.00 0.00 H new ATOM 663 N MET A 40 120.612 -7.951 3.453 1.00 0.00 N ATOM 664 CA MET A 40 121.007 -6.729 4.211 1.00 0.00 C ATOM 665 C MET A 40 122.388 -6.924 4.843 1.00 0.00 C ATOM 666 O MET A 40 123.236 -6.056 4.785 1.00 0.00 O ATOM 667 CB MET A 40 119.938 -6.573 5.294 1.00 0.00 C ATOM 668 CG MET A 40 119.258 -5.211 5.148 1.00 0.00 C ATOM 669 SD MET A 40 117.467 -5.442 5.026 1.00 0.00 S ATOM 670 CE MET A 40 117.125 -5.500 6.802 1.00 0.00 C ATOM 0 H MET A 40 119.717 -8.359 3.722 1.00 0.00 H new ATOM 0 HA MET A 40 121.071 -5.848 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.200 -7.371 5.209 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.390 -6.661 6.282 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.497 -4.580 6.004 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.631 -4.699 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.047 -5.497 6.965 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.553 -6.408 7.226 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.568 -4.630 7.286 1.00 0.00 H new ATOM 680 N SER A 41 122.618 -8.058 5.446 1.00 0.00 N ATOM 681 CA SER A 41 123.944 -8.310 6.082 1.00 0.00 C ATOM 682 C SER A 41 125.058 -8.224 5.037 1.00 0.00 C ATOM 683 O SER A 41 126.181 -7.872 5.340 1.00 0.00 O ATOM 684 CB SER A 41 123.849 -9.728 6.644 1.00 0.00 C ATOM 685 OG SER A 41 125.143 -10.165 7.036 1.00 0.00 O ATOM 0 H SER A 41 121.946 -8.821 5.526 1.00 0.00 H new ATOM 0 HA SER A 41 124.176 -7.577 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.171 -9.749 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.437 -10.402 5.893 1.00 0.00 H new ATOM 0 HG SER A 41 125.086 -11.074 7.398 1.00 0.00 H new ATOM 691 N GLU A 42 124.758 -8.547 3.809 1.00 0.00 N ATOM 692 CA GLU A 42 125.802 -8.488 2.747 1.00 0.00 C ATOM 693 C GLU A 42 126.162 -7.033 2.437 1.00 0.00 C ATOM 694 O GLU A 42 127.317 -6.655 2.446 1.00 0.00 O ATOM 695 CB GLU A 42 125.165 -9.156 1.528 1.00 0.00 C ATOM 696 CG GLU A 42 125.293 -10.675 1.654 1.00 0.00 C ATOM 697 CD GLU A 42 126.652 -11.119 1.112 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.344 -10.287 0.549 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.979 -12.284 1.270 1.00 0.00 O ATOM 0 H GLU A 42 123.836 -8.849 3.495 1.00 0.00 H new ATOM 0 HA GLU A 42 126.725 -8.984 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.115 -8.874 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.653 -8.814 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.190 -10.974 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.491 -11.165 1.102 1.00 0.00 H new ATOM 706 N ILE A 43 125.185 -6.213 2.163 1.00 0.00 N ATOM 707 CA ILE A 43 125.481 -4.785 1.855 1.00 0.00 C ATOM 708 C ILE A 43 126.310 -4.167 2.984 1.00 0.00 C ATOM 709 O ILE A 43 127.175 -3.347 2.753 1.00 0.00 O ATOM 710 CB ILE A 43 124.116 -4.107 1.754 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.340 -4.702 0.577 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.311 -2.607 1.530 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.873 -4.882 0.971 1.00 0.00 C ATOM 0 H ILE A 43 124.198 -6.469 2.139 1.00 0.00 H new ATOM 0 HA ILE A 43 126.057 -4.669 0.937 1.00 0.00 H new ATOM 0 HB ILE A 43 123.558 -4.268 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.417 -4.047 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.771 -5.662 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.338 -2.120 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.867 -2.183 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.867 -2.446 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.320 -5.306 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.806 -5.554 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.446 -3.915 1.235 1.00 0.00 H new ATOM 725 N ALA A 44 126.057 -4.561 4.202 1.00 0.00 N ATOM 726 CA ALA A 44 126.839 -4.002 5.340 1.00 0.00 C ATOM 727 C ALA A 44 128.289 -4.486 5.250 1.00 0.00 C ATOM 728 O ALA A 44 129.223 -3.705 5.270 1.00 0.00 O ATOM 729 CB ALA A 44 126.157 -4.548 6.595 1.00 0.00 C ATOM 0 H ALA A 44 125.344 -5.244 4.458 1.00 0.00 H new ATOM 0 HA ALA A 44 126.864 -2.912 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.676 -4.180 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.119 -4.216 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.189 -5.637 6.582 1.00 0.00 H new ATOM 735 N ASP A 45 128.487 -5.770 5.131 1.00 0.00 N ATOM 736 CA ASP A 45 129.875 -6.294 5.020 1.00 0.00 C ATOM 737 C ASP A 45 130.592 -5.579 3.874 1.00 0.00 C ATOM 738 O ASP A 45 131.804 -5.547 3.805 1.00 0.00 O ATOM 739 CB ASP A 45 129.717 -7.784 4.712 1.00 0.00 C ATOM 740 CG ASP A 45 131.075 -8.372 4.325 1.00 0.00 C ATOM 741 OD1 ASP A 45 132.076 -7.870 4.809 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.091 -9.315 3.550 1.00 0.00 O ATOM 0 H ASP A 45 127.751 -6.475 5.106 1.00 0.00 H new ATOM 0 HA ASP A 45 130.461 -6.135 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.318 -8.306 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.003 -7.925 3.900 1.00 0.00 H new ATOM 747 N LEU A 46 129.841 -5.000 2.975 1.00 0.00 N ATOM 748 CA LEU A 46 130.464 -4.278 1.831 1.00 0.00 C ATOM 749 C LEU A 46 130.861 -2.863 2.256 1.00 0.00 C ATOM 750 O LEU A 46 131.890 -2.354 1.861 1.00 0.00 O ATOM 751 CB LEU A 46 129.380 -4.232 0.753 1.00 0.00 C ATOM 752 CG LEU A 46 129.347 -5.566 0.005 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.934 -5.821 -0.522 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.328 -5.517 -1.168 1.00 0.00 C ATOM 0 H LEU A 46 128.821 -4.997 2.985 1.00 0.00 H new ATOM 0 HA LEU A 46 131.370 -4.769 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.409 -4.033 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.579 -3.417 0.057 1.00 0.00 H new ATOM 0 HG LEU A 46 129.632 -6.370 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.910 -6.772 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.235 -5.856 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.648 -5.017 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.305 -6.467 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.044 -4.713 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.335 -5.336 -0.793 1.00 0.00 H new ATOM 766 N THR A 47 130.057 -2.226 3.062 1.00 0.00 N ATOM 767 CA THR A 47 130.405 -0.847 3.510 1.00 0.00 C ATOM 768 C THR A 47 131.823 -0.840 4.071 1.00 0.00 C ATOM 769 O THR A 47 132.604 0.051 3.800 1.00 0.00 O ATOM 770 CB THR A 47 129.396 -0.497 4.603 1.00 0.00 C ATOM 771 OG1 THR A 47 129.492 -1.441 5.659 1.00 0.00 O ATOM 772 CG2 THR A 47 127.985 -0.514 4.018 1.00 0.00 C ATOM 0 H THR A 47 129.180 -2.597 3.428 1.00 0.00 H new ATOM 0 HA THR A 47 130.367 -0.126 2.693 1.00 0.00 H new ATOM 0 HB THR A 47 129.611 0.498 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.036 -2.269 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.265 -0.264 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.916 0.217 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.766 -1.507 3.626 1.00 0.00 H new ATOM 780 N TYR A 48 132.165 -1.836 4.843 1.00 0.00 N ATOM 781 CA TYR A 48 133.544 -1.892 5.411 1.00 0.00 C ATOM 782 C TYR A 48 134.553 -1.528 4.322 1.00 0.00 C ATOM 783 O TYR A 48 135.467 -0.756 4.534 1.00 0.00 O ATOM 784 CB TYR A 48 133.736 -3.342 5.855 1.00 0.00 C ATOM 785 CG TYR A 48 132.866 -3.625 7.055 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.310 -3.280 8.337 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.619 -4.235 6.886 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.505 -3.546 9.451 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.814 -4.503 8.000 1.00 0.00 C ATOM 790 CZ TYR A 48 131.257 -4.158 9.283 1.00 0.00 C ATOM 791 OH TYR A 48 130.465 -4.423 10.382 1.00 0.00 O ATOM 0 H TYR A 48 131.554 -2.610 5.104 1.00 0.00 H new ATOM 0 HA TYR A 48 133.687 -1.198 6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.480 -4.019 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.782 -3.522 6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.273 -2.809 8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.277 -4.499 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 48 132.847 -3.279 10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.852 -4.976 7.870 1.00 0.00 H new ATOM 0 HH TYR A 48 129.537 -4.178 10.183 1.00 0.00 H new ATOM 801 N ASN A 49 134.376 -2.073 3.150 1.00 0.00 N ATOM 802 CA ASN A 49 135.300 -1.761 2.021 1.00 0.00 C ATOM 803 C ASN A 49 135.339 -0.266 1.771 1.00 0.00 C ATOM 804 O ASN A 49 135.067 0.537 2.641 1.00 0.00 O ATOM 805 CB ASN A 49 134.710 -2.491 0.812 1.00 0.00 C ATOM 806 CG ASN A 49 135.828 -3.201 0.047 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.990 -3.055 0.371 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.525 -3.970 -0.964 1.00 0.00 N ATOM 0 H ASN A 49 133.626 -2.726 2.924 1.00 0.00 H new ATOM 0 HA ASN A 49 136.323 -2.074 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.963 -3.214 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.202 -1.782 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.263 -4.447 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.550 -4.093 -1.237 1.00 0.00 H new ATOM 815 N VAL A 50 135.713 0.106 0.594 1.00 0.00 N ATOM 816 CA VAL A 50 135.822 1.539 0.268 1.00 0.00 C ATOM 817 C VAL A 50 134.994 1.831 -0.980 1.00 0.00 C ATOM 818 O VAL A 50 134.390 2.877 -1.112 1.00 0.00 O ATOM 819 CB VAL A 50 137.320 1.751 0.024 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.654 3.236 0.168 1.00 0.00 C ATOM 821 CG2 VAL A 50 138.139 0.942 1.054 1.00 0.00 C ATOM 0 H VAL A 50 135.951 -0.530 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 50 135.449 2.203 1.048 1.00 0.00 H new ATOM 0 HB VAL A 50 137.570 1.413 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.719 3.388 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.082 3.810 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.399 3.570 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.203 1.097 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.888 1.275 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.905 -0.118 0.954 1.00 0.00 H new ATOM 831 N VAL A 51 134.945 0.896 -1.887 1.00 0.00 N ATOM 832 CA VAL A 51 134.138 1.094 -3.120 1.00 0.00 C ATOM 833 C VAL A 51 132.690 0.716 -2.855 1.00 0.00 C ATOM 834 O VAL A 51 131.806 1.548 -2.810 1.00 0.00 O ATOM 835 CB VAL A 51 134.724 0.123 -4.144 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.704 -0.123 -5.272 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.007 0.716 -4.721 1.00 0.00 C ATOM 0 H VAL A 51 135.431 0.001 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 51 134.165 2.129 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 51 134.950 -0.827 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.126 -0.816 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 51 132.793 -0.549 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.470 0.821 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.429 0.027 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.783 1.667 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.726 0.878 -3.918 1.00 0.00 H new ATOM 847 N ALA A 52 132.454 -0.558 -2.723 1.00 0.00 N ATOM 848 CA ALA A 52 131.077 -1.053 -2.505 1.00 0.00 C ATOM 849 C ALA A 52 130.299 -0.105 -1.590 1.00 0.00 C ATOM 850 O ALA A 52 129.138 0.168 -1.809 1.00 0.00 O ATOM 851 CB ALA A 52 131.250 -2.415 -1.838 1.00 0.00 C ATOM 0 H ALA A 52 133.170 -1.284 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 52 130.515 -1.118 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.270 -2.851 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 52 131.815 -3.074 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 52 131.788 -2.294 -0.898 1.00 0.00 H new ATOM 857 N PHE A 53 130.934 0.396 -0.567 1.00 0.00 N ATOM 858 CA PHE A 53 130.240 1.326 0.365 1.00 0.00 C ATOM 859 C PHE A 53 129.634 2.500 -0.412 1.00 0.00 C ATOM 860 O PHE A 53 128.449 2.760 -0.339 1.00 0.00 O ATOM 861 CB PHE A 53 131.342 1.814 1.308 1.00 0.00 C ATOM 862 CG PHE A 53 130.890 3.069 2.007 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.687 3.078 2.720 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.672 4.225 1.935 1.00 0.00 C ATOM 865 CE1 PHE A 53 129.265 4.246 3.364 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.252 5.395 2.579 1.00 0.00 C ATOM 867 CZ PHE A 53 130.048 5.406 3.294 1.00 0.00 C ATOM 0 H PHE A 53 131.908 0.200 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 53 129.420 0.849 0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.576 1.042 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.256 2.008 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 53 129.084 2.184 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.600 4.216 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.336 4.254 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.856 6.289 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.723 6.308 3.791 1.00 0.00 H new ATOM 877 N SER A 54 130.440 3.212 -1.151 1.00 0.00 N ATOM 878 CA SER A 54 129.911 4.370 -1.929 1.00 0.00 C ATOM 879 C SER A 54 128.822 3.904 -2.898 1.00 0.00 C ATOM 880 O SER A 54 127.863 4.605 -3.153 1.00 0.00 O ATOM 881 CB SER A 54 131.115 4.913 -2.697 1.00 0.00 C ATOM 882 OG SER A 54 131.844 5.801 -1.859 1.00 0.00 O ATOM 0 H SER A 54 131.441 3.043 -1.250 1.00 0.00 H new ATOM 0 HA SER A 54 129.461 5.127 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.755 4.092 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 54 130.784 5.433 -3.596 1.00 0.00 H new ATOM 0 HG SER A 54 132.618 6.150 -2.348 1.00 0.00 H new ATOM 888 N GLU A 55 128.963 2.726 -3.440 1.00 0.00 N ATOM 889 CA GLU A 55 127.936 2.214 -4.392 1.00 0.00 C ATOM 890 C GLU A 55 126.679 1.786 -3.628 1.00 0.00 C ATOM 891 O GLU A 55 125.604 1.681 -4.185 1.00 0.00 O ATOM 892 CB GLU A 55 128.589 1.006 -5.069 1.00 0.00 C ATOM 893 CG GLU A 55 130.028 1.351 -5.466 1.00 0.00 C ATOM 894 CD GLU A 55 130.187 1.199 -6.980 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.679 2.046 -7.696 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.815 0.240 -7.397 1.00 0.00 O ATOM 0 H GLU A 55 129.745 2.095 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 55 127.629 2.969 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.583 0.151 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.017 0.718 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.266 2.371 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.727 0.695 -4.948 1.00 0.00 H new ATOM 903 N ILE A 56 126.810 1.540 -2.354 1.00 0.00 N ATOM 904 CA ILE A 56 125.632 1.116 -1.546 1.00 0.00 C ATOM 905 C ILE A 56 124.796 2.337 -1.152 1.00 0.00 C ATOM 906 O ILE A 56 123.702 2.535 -1.640 1.00 0.00 O ATOM 907 CB ILE A 56 126.229 0.448 -0.307 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.834 -0.903 -0.701 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.133 0.231 0.737 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.913 -1.297 0.311 1.00 0.00 C ATOM 0 H ILE A 56 127.685 1.615 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 56 124.971 0.444 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 56 127.005 1.088 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 56 126.056 -1.666 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.264 -0.843 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.560 -0.245 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.701 1.192 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.355 -0.409 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.342 -2.258 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.696 -0.539 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.470 -1.375 1.304 1.00 0.00 H new ATOM 922 N MET A 57 125.306 3.160 -0.277 1.00 0.00 N ATOM 923 CA MET A 57 124.542 4.370 0.141 1.00 0.00 C ATOM 924 C MET A 57 124.095 5.155 -1.092 1.00 0.00 C ATOM 925 O MET A 57 123.024 5.725 -1.123 1.00 0.00 O ATOM 926 CB MET A 57 125.526 5.194 0.970 1.00 0.00 C ATOM 927 CG MET A 57 125.660 4.581 2.365 1.00 0.00 C ATOM 928 SD MET A 57 124.055 4.629 3.201 1.00 0.00 S ATOM 929 CE MET A 57 124.192 6.308 3.861 1.00 0.00 C ATOM 0 H MET A 57 126.218 3.047 0.166 1.00 0.00 H new ATOM 0 HA MET A 57 123.645 4.119 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.498 5.220 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.179 6.225 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.012 3.552 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.401 5.130 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.277 6.565 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 57 125.038 6.362 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.343 7.010 3.041 1.00 0.00 H new ATOM 939 N SER A 58 124.911 5.188 -2.111 1.00 0.00 N ATOM 940 CA SER A 58 124.532 5.935 -3.345 1.00 0.00 C ATOM 941 C SER A 58 123.205 5.407 -3.894 1.00 0.00 C ATOM 942 O SER A 58 122.223 6.120 -3.960 1.00 0.00 O ATOM 943 CB SER A 58 125.665 5.669 -4.335 1.00 0.00 C ATOM 944 OG SER A 58 126.724 6.587 -4.095 1.00 0.00 O ATOM 0 H SER A 58 125.822 4.731 -2.142 1.00 0.00 H new ATOM 0 HA SER A 58 124.398 7.000 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.024 4.646 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.302 5.774 -5.357 1.00 0.00 H new ATOM 0 HG SER A 58 127.560 6.094 -3.958 1.00 0.00 H new ATOM 950 N MET A 59 123.164 4.162 -4.285 1.00 0.00 N ATOM 951 CA MET A 59 121.894 3.596 -4.825 1.00 0.00 C ATOM 952 C MET A 59 120.780 3.727 -3.782 1.00 0.00 C ATOM 953 O MET A 59 119.611 3.774 -4.109 1.00 0.00 O ATOM 954 CB MET A 59 122.201 2.124 -5.105 1.00 0.00 C ATOM 955 CG MET A 59 122.099 1.858 -6.608 1.00 0.00 C ATOM 956 SD MET A 59 123.351 0.645 -7.093 1.00 0.00 S ATOM 957 CE MET A 59 122.315 -0.305 -8.233 1.00 0.00 C ATOM 0 H MET A 59 123.951 3.514 -4.254 1.00 0.00 H new ATOM 0 HA MET A 59 121.555 4.115 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.201 1.876 -4.748 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.502 1.486 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 59 121.104 1.488 -6.856 1.00 0.00 H new ATOM 0 HG3 MET A 59 122.242 2.785 -7.163 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.892 -1.133 -8.645 1.00 0.00 H new ATOM 0 HE2 MET A 59 121.450 -0.696 -7.698 1.00 0.00 H new ATOM 0 HE3 MET A 59 121.979 0.341 -9.044 1.00 0.00 H new ATOM 967 N ILE A 60 121.138 3.789 -2.529 1.00 0.00 N ATOM 968 CA ILE A 60 120.106 3.920 -1.460 1.00 0.00 C ATOM 969 C ILE A 60 119.520 5.340 -1.474 1.00 0.00 C ATOM 970 O ILE A 60 118.369 5.550 -1.147 1.00 0.00 O ATOM 971 CB ILE A 60 120.865 3.621 -0.154 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.584 2.177 0.270 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.418 4.566 0.966 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.897 1.487 0.646 1.00 0.00 C ATOM 0 H ILE A 60 122.102 3.755 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 60 119.261 3.244 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 60 121.931 3.767 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.899 2.163 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.097 1.637 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 60 120.968 4.335 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.617 5.597 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.350 4.439 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.695 0.459 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.567 1.488 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.366 2.022 1.472 1.00 0.00 H new ATOM 986 N TRP A 61 120.306 6.312 -1.848 1.00 0.00 N ATOM 987 CA TRP A 61 119.796 7.713 -1.882 1.00 0.00 C ATOM 988 C TRP A 61 118.837 7.901 -3.061 1.00 0.00 C ATOM 989 O TRP A 61 117.826 8.565 -2.950 1.00 0.00 O ATOM 990 CB TRP A 61 121.041 8.583 -2.060 1.00 0.00 C ATOM 991 CG TRP A 61 121.832 8.588 -0.791 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.158 8.335 -0.701 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.372 8.855 0.565 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.541 8.430 0.625 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.476 8.749 1.444 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.118 9.176 1.114 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.340 8.953 2.818 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.977 9.383 2.496 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.086 9.272 3.346 1.00 0.00 C ATOM 0 H TRP A 61 121.279 6.197 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 61 119.242 7.972 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.650 8.201 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.752 9.600 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.810 8.098 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.494 8.282 0.957 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.257 9.264 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.198 8.865 3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.009 9.629 2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.972 9.433 4.408 1.00 0.00 H new ATOM 1010 N LYS A 62 119.147 7.322 -4.189 1.00 0.00 N ATOM 1011 CA LYS A 62 118.252 7.470 -5.373 1.00 0.00 C ATOM 1012 C LYS A 62 116.882 6.852 -5.081 1.00 0.00 C ATOM 1013 O LYS A 62 115.866 7.515 -5.142 1.00 0.00 O ATOM 1014 CB LYS A 62 118.953 6.709 -6.499 1.00 0.00 C ATOM 1015 CG LYS A 62 119.994 7.615 -7.160 1.00 0.00 C ATOM 1016 CD LYS A 62 121.333 6.879 -7.240 1.00 0.00 C ATOM 1017 CE LYS A 62 122.082 7.315 -8.500 1.00 0.00 C ATOM 1018 NZ LYS A 62 121.997 6.147 -9.421 1.00 0.00 N ATOM 0 H LYS A 62 119.980 6.754 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 62 118.081 8.515 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.434 5.815 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.223 6.378 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.663 7.899 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.106 8.536 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.932 7.095 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.167 5.802 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.627 8.201 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.119 7.567 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.489 6.369 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.444 5.320 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 120.999 5.935 -9.622 1.00 0.00 H new ATOM 1032 N ARG A 63 116.847 5.586 -4.768 1.00 0.00 N ATOM 1033 CA ARG A 63 115.542 4.925 -4.474 1.00 0.00 C ATOM 1034 C ARG A 63 114.901 5.547 -3.230 1.00 0.00 C ATOM 1035 O ARG A 63 113.748 5.310 -2.930 1.00 0.00 O ATOM 1036 CB ARG A 63 115.890 3.458 -4.221 1.00 0.00 C ATOM 1037 CG ARG A 63 116.550 2.866 -5.468 1.00 0.00 C ATOM 1038 CD ARG A 63 115.485 2.200 -6.342 1.00 0.00 C ATOM 1039 NE ARG A 63 116.250 1.375 -7.318 1.00 0.00 N ATOM 1040 CZ ARG A 63 115.710 0.304 -7.832 1.00 0.00 C ATOM 1041 NH1 ARG A 63 114.424 0.108 -7.728 1.00 0.00 N ATOM 1042 NH2 ARG A 63 116.456 -0.571 -8.450 1.00 0.00 N ATOM 0 H ARG A 63 117.665 4.980 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 63 114.828 5.040 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.562 3.375 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.989 2.897 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.059 3.649 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.307 2.137 -5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.813 1.584 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.870 2.943 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 63 117.196 1.647 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 63 113.841 0.792 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 63 114.002 -0.729 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 63 117.461 -0.418 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 63 116.034 -1.408 -8.852 1.00 0.00 H new ATOM 1056 N LEU A 64 115.641 6.338 -2.504 1.00 0.00 N ATOM 1057 CA LEU A 64 115.074 6.973 -1.279 1.00 0.00 C ATOM 1058 C LEU A 64 114.232 8.193 -1.654 1.00 0.00 C ATOM 1059 O LEU A 64 113.343 8.592 -0.928 1.00 0.00 O ATOM 1060 CB LEU A 64 116.287 7.404 -0.460 1.00 0.00 C ATOM 1061 CG LEU A 64 116.467 6.453 0.724 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.654 6.912 1.572 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.196 6.460 1.576 1.00 0.00 C ATOM 0 H LEU A 64 116.613 6.573 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 64 114.425 6.292 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.181 7.398 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.154 8.425 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 64 116.654 5.444 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.782 6.234 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.558 6.909 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.469 7.920 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.321 5.783 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.010 7.469 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.351 6.133 0.971 1.00 0.00 H new ATOM 1075 N ASN A 65 114.508 8.790 -2.779 1.00 0.00 N ATOM 1076 CA ASN A 65 113.728 9.983 -3.196 1.00 0.00 C ATOM 1077 C ASN A 65 112.867 9.644 -4.413 1.00 0.00 C ATOM 1078 O ASN A 65 112.767 10.411 -5.350 1.00 0.00 O ATOM 1079 CB ASN A 65 114.775 11.039 -3.551 1.00 0.00 C ATOM 1080 CG ASN A 65 114.100 12.407 -3.669 1.00 0.00 C ATOM 1081 OD1 ASN A 65 112.890 12.506 -3.613 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.835 13.473 -3.829 1.00 0.00 N ATOM 0 H ASN A 65 115.241 8.502 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 65 113.052 10.332 -2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.551 11.069 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 65 115.264 10.781 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.394 14.389 -3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.851 13.390 -3.876 1.00 0.00 H new ATOM 1161 N TRP A 71 106.172 5.052 -2.990 1.00 0.00 N ATOM 1162 CA TRP A 71 107.229 5.234 -1.953 1.00 0.00 C ATOM 1163 C TRP A 71 107.747 3.872 -1.482 1.00 0.00 C ATOM 1164 O TRP A 71 108.654 3.788 -0.677 1.00 0.00 O ATOM 1165 CB TRP A 71 106.537 5.973 -0.806 1.00 0.00 C ATOM 1166 CG TRP A 71 105.380 5.163 -0.313 1.00 0.00 C ATOM 1167 CD1 TRP A 71 104.102 5.296 -0.736 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.372 4.102 0.686 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.311 4.384 -0.062 1.00 0.00 N ATOM 1170 CE2 TRP A 71 104.047 3.625 0.825 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.375 3.512 1.476 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.728 2.600 1.716 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 106.058 2.480 2.374 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.737 2.025 2.494 1.00 0.00 C ATOM 0 HA TRP A 71 108.089 5.786 -2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.243 6.148 0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.192 6.950 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.756 6.000 -1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.306 4.284 -0.203 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.396 3.855 1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.709 2.253 1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.836 2.034 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.499 1.231 3.187 1.00 0.00 H new ATOM 1185 N ARG A 72 107.182 2.805 -1.978 1.00 0.00 N ATOM 1186 CA ARG A 72 107.649 1.453 -1.556 1.00 0.00 C ATOM 1187 C ARG A 72 109.176 1.379 -1.634 1.00 0.00 C ATOM 1188 O ARG A 72 109.831 0.899 -0.730 1.00 0.00 O ATOM 1189 CB ARG A 72 107.013 0.482 -2.553 1.00 0.00 C ATOM 1190 CG ARG A 72 106.311 -0.644 -1.792 1.00 0.00 C ATOM 1191 CD ARG A 72 105.033 -1.044 -2.532 1.00 0.00 C ATOM 1192 NE ARG A 72 104.960 -2.526 -2.400 1.00 0.00 N ATOM 1193 CZ ARG A 72 103.919 -3.171 -2.851 1.00 0.00 C ATOM 1194 NH1 ARG A 72 102.719 -2.699 -2.647 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.077 -4.288 -3.507 1.00 0.00 N ATOM 0 H ARG A 72 106.419 2.810 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 72 107.369 1.220 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.298 1.009 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.777 0.069 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 72 106.975 -1.504 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 106.071 -0.318 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.157 -0.565 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.072 -0.742 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 72 105.724 -3.037 -1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.595 -1.826 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 72 101.906 -3.204 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.014 -4.657 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.263 -4.792 -3.859 1.00 0.00 H new ATOM 1209 N HIS A 73 109.747 1.856 -2.706 1.00 0.00 N ATOM 1210 CA HIS A 73 111.232 1.818 -2.838 1.00 0.00 C ATOM 1211 C HIS A 73 111.876 2.645 -1.723 1.00 0.00 C ATOM 1212 O HIS A 73 112.915 2.295 -1.199 1.00 0.00 O ATOM 1213 CB HIS A 73 111.525 2.437 -4.206 1.00 0.00 C ATOM 1214 CG HIS A 73 110.765 1.691 -5.268 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.069 0.523 -4.997 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.582 1.934 -6.607 1.00 0.00 C ATOM 1217 CE1 HIS A 73 109.505 0.111 -6.148 1.00 0.00 C ATOM 1218 NE2 HIS A 73 109.787 0.935 -7.160 1.00 0.00 N ATOM 0 H HIS A 73 109.251 2.270 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 73 111.631 0.807 -2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.239 3.489 -4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.594 2.397 -4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 73 110.993 2.773 -7.149 1.00 0.00 H new ATOM 0 HE1 HIS A 73 108.898 -0.778 -6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.484 0.850 -8.130 1.00 0.00 H new ATOM 1226 N VAL A 74 111.265 3.737 -1.354 1.00 0.00 N ATOM 1227 CA VAL A 74 111.839 4.584 -0.270 1.00 0.00 C ATOM 1228 C VAL A 74 111.874 3.800 1.045 1.00 0.00 C ATOM 1229 O VAL A 74 112.912 3.632 1.652 1.00 0.00 O ATOM 1230 CB VAL A 74 110.892 5.781 -0.156 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.108 6.476 1.189 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.177 6.767 -1.292 1.00 0.00 C ATOM 0 H VAL A 74 110.393 4.080 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 74 112.861 4.895 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 74 109.860 5.436 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.434 7.329 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.905 5.774 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.140 6.821 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.503 7.620 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.209 7.112 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.023 6.272 -2.251 1.00 0.00 H new ATOM 1242 N TYR A 75 110.745 3.322 1.490 1.00 0.00 N ATOM 1243 CA TYR A 75 110.716 2.551 2.765 1.00 0.00 C ATOM 1244 C TYR A 75 111.806 1.477 2.750 1.00 0.00 C ATOM 1245 O TYR A 75 112.574 1.345 3.682 1.00 0.00 O ATOM 1246 CB TYR A 75 109.330 1.910 2.810 1.00 0.00 C ATOM 1247 CG TYR A 75 109.015 1.501 4.227 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.181 2.418 5.273 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.557 0.206 4.497 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.889 2.038 6.588 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.265 -0.173 5.812 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.432 0.742 6.858 1.00 0.00 C ATOM 1253 OH TYR A 75 108.145 0.368 8.154 1.00 0.00 O ATOM 0 H TYR A 75 109.843 3.431 1.027 1.00 0.00 H new ATOM 0 HA TYR A 75 110.899 3.180 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.580 2.613 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.297 1.041 2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.534 3.417 5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.429 -0.501 3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.016 2.745 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.911 -1.172 6.020 1.00 0.00 H new ATOM 0 HH TYR A 75 107.839 -0.563 8.166 1.00 0.00 H new ATOM 1263 N LYS A 76 111.881 0.713 1.696 1.00 0.00 N ATOM 1264 CA LYS A 76 112.925 -0.347 1.618 1.00 0.00 C ATOM 1265 C LYS A 76 114.316 0.290 1.657 1.00 0.00 C ATOM 1266 O LYS A 76 115.260 -0.283 2.166 1.00 0.00 O ATOM 1267 CB LYS A 76 112.688 -1.037 0.275 1.00 0.00 C ATOM 1268 CG LYS A 76 112.419 -2.525 0.505 1.00 0.00 C ATOM 1269 CD LYS A 76 111.217 -2.688 1.436 1.00 0.00 C ATOM 1270 CE LYS A 76 110.725 -4.136 1.386 1.00 0.00 C ATOM 1271 NZ LYS A 76 110.273 -4.438 2.773 1.00 0.00 N ATOM 0 H LYS A 76 111.265 0.777 0.886 1.00 0.00 H new ATOM 0 HA LYS A 76 112.870 -1.049 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.842 -0.579 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.558 -0.909 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.226 -3.022 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.297 -3.001 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.495 -2.422 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.417 -2.011 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.910 -4.251 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 76 111.521 -4.813 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.921 -5.416 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 111.071 -4.327 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.511 -3.783 3.040 1.00 0.00 H new ATOM 1285 N ALA A 77 114.447 1.474 1.126 1.00 0.00 N ATOM 1286 CA ALA A 77 115.774 2.151 1.135 1.00 0.00 C ATOM 1287 C ALA A 77 116.137 2.567 2.562 1.00 0.00 C ATOM 1288 O ALA A 77 117.295 2.658 2.918 1.00 0.00 O ATOM 1289 CB ALA A 77 115.594 3.381 0.246 1.00 0.00 C ATOM 0 H ALA A 77 113.693 2.002 0.686 1.00 0.00 H new ATOM 0 HA ALA A 77 116.575 1.505 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.530 3.937 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.309 3.066 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.814 4.019 0.661 1.00 0.00 H new ATOM 1295 N MET A 78 115.153 2.816 3.381 1.00 0.00 N ATOM 1296 CA MET A 78 115.436 3.223 4.786 1.00 0.00 C ATOM 1297 C MET A 78 115.927 2.021 5.595 1.00 0.00 C ATOM 1298 O MET A 78 116.706 2.157 6.516 1.00 0.00 O ATOM 1299 CB MET A 78 114.099 3.724 5.331 1.00 0.00 C ATOM 1300 CG MET A 78 113.553 4.821 4.415 1.00 0.00 C ATOM 1301 SD MET A 78 112.991 6.217 5.418 1.00 0.00 S ATOM 1302 CE MET A 78 111.392 6.448 4.605 1.00 0.00 C ATOM 0 H MET A 78 114.164 2.755 3.138 1.00 0.00 H new ATOM 0 HA MET A 78 116.212 3.986 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.388 2.900 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.228 4.111 6.342 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.326 5.147 3.719 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.728 4.433 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.932 7.370 4.961 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.538 6.509 3.526 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.741 5.605 4.836 1.00 0.00 H new ATOM 1312 N THR A 79 115.477 0.843 5.258 1.00 0.00 N ATOM 1313 CA THR A 79 115.922 -0.364 6.010 1.00 0.00 C ATOM 1314 C THR A 79 117.385 -0.666 5.693 1.00 0.00 C ATOM 1315 O THR A 79 118.143 -1.081 6.546 1.00 0.00 O ATOM 1316 CB THR A 79 115.017 -1.496 5.523 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.666 -1.055 5.524 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.161 -2.703 6.451 1.00 0.00 C ATOM 0 H THR A 79 114.822 0.665 4.497 1.00 0.00 H new ATOM 0 HA THR A 79 115.851 -0.230 7.089 1.00 0.00 H new ATOM 0 HB THR A 79 115.306 -1.782 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.085 -1.779 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.515 -3.509 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.197 -3.042 6.449 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.873 -2.420 7.464 1.00 0.00 H new ATOM 1326 N LEU A 80 117.790 -0.452 4.473 1.00 0.00 N ATOM 1327 CA LEU A 80 119.210 -0.718 4.108 1.00 0.00 C ATOM 1328 C LEU A 80 120.096 0.416 4.626 1.00 0.00 C ATOM 1329 O LEU A 80 121.243 0.214 4.972 1.00 0.00 O ATOM 1330 CB LEU A 80 119.233 -0.761 2.581 1.00 0.00 C ATOM 1331 CG LEU A 80 120.634 -1.154 2.111 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.006 -2.516 2.702 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.654 -1.237 0.584 1.00 0.00 C ATOM 0 H LEU A 80 117.202 -0.106 3.715 1.00 0.00 H new ATOM 0 HA LEU A 80 119.583 -1.646 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.499 -1.478 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.959 0.212 2.174 1.00 0.00 H new ATOM 0 HG LEU A 80 121.353 -0.405 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.005 -2.797 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.991 -2.457 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.288 -3.265 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.652 -1.517 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.936 -1.986 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.388 -0.267 0.163 1.00 0.00 H new ATOM 1345 N MET A 81 119.568 1.607 4.686 1.00 0.00 N ATOM 1346 CA MET A 81 120.376 2.753 5.187 1.00 0.00 C ATOM 1347 C MET A 81 120.477 2.691 6.713 1.00 0.00 C ATOM 1348 O MET A 81 121.434 3.154 7.300 1.00 0.00 O ATOM 1349 CB MET A 81 119.612 4.003 4.748 1.00 0.00 C ATOM 1350 CG MET A 81 120.425 5.249 5.103 1.00 0.00 C ATOM 1351 SD MET A 81 119.913 6.625 4.046 1.00 0.00 S ATOM 1352 CE MET A 81 118.494 7.158 5.035 1.00 0.00 C ATOM 0 H MET A 81 118.613 1.836 4.410 1.00 0.00 H new ATOM 0 HA MET A 81 121.394 2.745 4.798 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.427 3.970 3.674 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.639 4.039 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.276 5.507 6.151 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.489 5.052 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 81 117.935 7.919 4.490 1.00 0.00 H new ATOM 0 HE2 MET A 81 117.846 6.304 5.232 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.844 7.573 5.980 1.00 0.00 H new ATOM 1362 N GLU A 82 119.499 2.117 7.359 1.00 0.00 N ATOM 1363 CA GLU A 82 119.544 2.023 8.844 1.00 0.00 C ATOM 1364 C GLU A 82 120.337 0.784 9.267 1.00 0.00 C ATOM 1365 O GLU A 82 121.030 0.788 10.265 1.00 0.00 O ATOM 1366 CB GLU A 82 118.084 1.897 9.280 1.00 0.00 C ATOM 1367 CG GLU A 82 118.009 1.850 10.807 1.00 0.00 C ATOM 1368 CD GLU A 82 116.618 1.382 11.238 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.437 0.184 11.385 1.00 0.00 O ATOM 1370 OE2 GLU A 82 115.758 2.229 11.415 1.00 0.00 O ATOM 0 H GLU A 82 118.672 1.710 6.922 1.00 0.00 H new ATOM 0 HA GLU A 82 120.031 2.886 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.507 2.741 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.643 0.995 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.769 1.173 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.217 2.836 11.222 1.00 0.00 H new ATOM 1377 N TYR A 83 120.238 -0.278 8.514 1.00 0.00 N ATOM 1378 CA TYR A 83 120.979 -1.520 8.863 1.00 0.00 C ATOM 1379 C TYR A 83 122.479 -1.323 8.637 1.00 0.00 C ATOM 1380 O TYR A 83 123.295 -1.689 9.460 1.00 0.00 O ATOM 1381 CB TYR A 83 120.426 -2.577 7.908 1.00 0.00 C ATOM 1382 CG TYR A 83 121.147 -3.881 8.131 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.399 -4.095 7.547 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.560 -4.876 8.919 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.068 -5.308 7.751 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.228 -6.090 9.124 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.482 -6.306 8.540 1.00 0.00 C ATOM 1388 OH TYR A 83 123.140 -7.503 8.741 1.00 0.00 O ATOM 0 H TYR A 83 119.672 -0.337 7.668 1.00 0.00 H new ATOM 0 HA TYR A 83 120.854 -1.802 9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.356 -2.708 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.552 -2.251 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.850 -3.325 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.593 -4.709 9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.035 -5.474 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.776 -6.859 9.732 1.00 0.00 H new ATOM 0 HH TYR A 83 122.596 -8.084 9.313 1.00 0.00 H new ATOM 1398 N LEU A 84 122.849 -0.749 7.525 1.00 0.00 N ATOM 1399 CA LEU A 84 124.296 -0.529 7.245 1.00 0.00 C ATOM 1400 C LEU A 84 124.871 0.503 8.219 1.00 0.00 C ATOM 1401 O LEU A 84 125.974 0.360 8.709 1.00 0.00 O ATOM 1402 CB LEU A 84 124.346 -0.004 5.808 1.00 0.00 C ATOM 1403 CG LEU A 84 123.663 -1.007 4.875 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.483 -0.381 3.490 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.530 -2.264 4.757 1.00 0.00 C ATOM 0 H LEU A 84 122.212 -0.423 6.798 1.00 0.00 H new ATOM 0 HA LEU A 84 124.885 -1.438 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.849 0.964 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.381 0.149 5.501 1.00 0.00 H new ATOM 0 HG LEU A 84 122.687 -1.273 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.997 -1.097 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.866 0.514 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.458 -0.114 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.045 -2.979 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.506 -1.996 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.657 -2.712 5.742 1.00 0.00 H new ATOM 1417 N ILE A 85 124.133 1.539 8.507 1.00 0.00 N ATOM 1418 CA ILE A 85 124.641 2.574 9.452 1.00 0.00 C ATOM 1419 C ILE A 85 125.003 1.926 10.793 1.00 0.00 C ATOM 1420 O ILE A 85 125.766 2.466 11.569 1.00 0.00 O ATOM 1421 CB ILE A 85 123.484 3.562 9.617 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.434 4.492 8.402 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.693 4.397 10.883 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.196 5.386 8.493 1.00 0.00 C ATOM 0 H ILE A 85 123.202 1.714 8.130 1.00 0.00 H new ATOM 0 HA ILE A 85 125.542 3.067 9.087 1.00 0.00 H new ATOM 0 HB ILE A 85 122.548 3.010 9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.335 5.104 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.406 3.906 7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.867 5.099 10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.731 3.739 11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.630 4.949 10.804 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.161 6.048 7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.300 4.766 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.244 5.982 9.404 1.00 0.00 H new ATOM 1436 N LYS A 86 124.464 0.770 11.068 1.00 0.00 N ATOM 1437 CA LYS A 86 124.781 0.086 12.355 1.00 0.00 C ATOM 1438 C LYS A 86 125.884 -0.954 12.138 1.00 0.00 C ATOM 1439 O LYS A 86 127.046 -0.700 12.383 1.00 0.00 O ATOM 1440 CB LYS A 86 123.477 -0.594 12.776 1.00 0.00 C ATOM 1441 CG LYS A 86 122.883 0.142 13.978 1.00 0.00 C ATOM 1442 CD LYS A 86 122.735 -0.830 15.151 1.00 0.00 C ATOM 1443 CE LYS A 86 121.867 -2.017 14.725 1.00 0.00 C ATOM 1444 NZ LYS A 86 120.472 -1.605 15.043 1.00 0.00 N ATOM 0 H LYS A 86 123.818 0.269 10.458 1.00 0.00 H new ATOM 0 HA LYS A 86 125.140 0.779 13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 86 122.769 -0.590 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.664 -1.637 13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.526 0.975 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 86 121.912 0.563 13.716 1.00 0.00 H new ATOM 0 HD2 LYS A 86 123.716 -1.180 15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.283 -0.322 16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.983 -2.230 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 86 122.144 -2.923 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 119.816 -2.368 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.390 -1.415 16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 120.234 -0.744 14.510 1.00 0.00 H new ATOM 1458 N THR A 87 125.528 -2.122 11.677 1.00 0.00 N ATOM 1459 CA THR A 87 126.557 -3.175 11.441 1.00 0.00 C ATOM 1460 C THR A 87 127.332 -2.876 10.156 1.00 0.00 C ATOM 1461 O THR A 87 128.466 -3.281 9.994 1.00 0.00 O ATOM 1462 CB THR A 87 125.766 -4.476 11.299 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.656 -5.580 11.386 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.052 -4.498 9.946 1.00 0.00 C ATOM 0 H THR A 87 124.570 -2.393 11.454 1.00 0.00 H new ATOM 0 HA THR A 87 127.288 -3.228 12.248 1.00 0.00 H new ATOM 0 HB THR A 87 125.026 -4.541 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.151 -6.415 11.297 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.489 -5.426 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.369 -3.651 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.788 -4.433 9.145 1.00 0.00 H new ATOM 1472 N GLY A 88 126.728 -2.169 9.240 1.00 0.00 N ATOM 1473 CA GLY A 88 127.430 -1.845 7.967 1.00 0.00 C ATOM 1474 C GLY A 88 128.863 -1.407 8.272 1.00 0.00 C ATOM 1475 O GLY A 88 129.813 -2.103 7.974 1.00 0.00 O ATOM 0 H GLY A 88 125.779 -1.802 9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.436 -2.716 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.901 -1.052 7.439 1.00 0.00 H new ATOM 1479 N SER A 89 129.027 -0.257 8.866 1.00 0.00 N ATOM 1480 CA SER A 89 130.399 0.225 9.191 1.00 0.00 C ATOM 1481 C SER A 89 130.336 1.626 9.804 1.00 0.00 C ATOM 1482 O SER A 89 129.282 2.223 9.905 1.00 0.00 O ATOM 1483 CB SER A 89 131.135 0.258 7.853 1.00 0.00 C ATOM 1484 OG SER A 89 132.416 -0.338 8.007 1.00 0.00 O ATOM 0 H SER A 89 128.270 0.370 9.140 1.00 0.00 H new ATOM 0 HA SER A 89 130.901 -0.416 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 89 130.561 -0.276 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.239 1.286 7.507 1.00 0.00 H new ATOM 0 HG SER A 89 132.319 -1.311 8.071 1.00 0.00 H new ATOM 1490 N GLU A 90 131.455 2.155 10.214 1.00 0.00 N ATOM 1491 CA GLU A 90 131.457 3.517 10.819 1.00 0.00 C ATOM 1492 C GLU A 90 131.389 4.584 9.723 1.00 0.00 C ATOM 1493 O GLU A 90 131.106 5.737 9.983 1.00 0.00 O ATOM 1494 CB GLU A 90 132.781 3.612 11.579 1.00 0.00 C ATOM 1495 CG GLU A 90 132.919 2.412 12.519 1.00 0.00 C ATOM 1496 CD GLU A 90 131.623 2.230 13.311 1.00 0.00 C ATOM 1497 OE1 GLU A 90 131.464 2.908 14.313 1.00 0.00 O ATOM 1498 OE2 GLU A 90 130.811 1.416 12.902 1.00 0.00 O ATOM 0 H GLU A 90 132.368 1.704 10.157 1.00 0.00 H new ATOM 0 HA GLU A 90 130.600 3.679 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.614 3.635 10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.819 4.540 12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 90 133.136 1.511 11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.755 2.565 13.201 1.00 0.00 H new ATOM 1505 N ARG A 91 131.645 4.209 8.500 1.00 0.00 N ATOM 1506 CA ARG A 91 131.593 5.202 7.391 1.00 0.00 C ATOM 1507 C ARG A 91 130.150 5.387 6.917 1.00 0.00 C ATOM 1508 O ARG A 91 129.774 6.438 6.439 1.00 0.00 O ATOM 1509 CB ARG A 91 132.455 4.604 6.279 1.00 0.00 C ATOM 1510 CG ARG A 91 131.843 3.282 5.811 1.00 0.00 C ATOM 1511 CD ARG A 91 132.956 2.259 5.577 1.00 0.00 C ATOM 1512 NE ARG A 91 133.571 2.649 4.278 1.00 0.00 N ATOM 1513 CZ ARG A 91 134.855 2.871 4.206 1.00 0.00 C ATOM 1514 NH1 ARG A 91 135.677 2.189 4.956 1.00 0.00 N ATOM 1515 NH2 ARG A 91 135.316 3.776 3.387 1.00 0.00 N ATOM 0 H ARG A 91 131.888 3.258 8.221 1.00 0.00 H new ATOM 0 HA ARG A 91 131.954 6.184 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 91 132.524 5.301 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 133.470 4.439 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 91 131.143 2.909 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 91 131.277 3.436 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 91 133.689 2.282 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 91 132.558 1.245 5.537 1.00 0.00 H new ATOM 0 HE ARG A 91 132.989 2.743 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.316 1.483 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 91 136.681 2.362 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 91 134.673 4.310 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 91 136.320 3.949 3.331 1.00 0.00 H new ATOM 1529 N VAL A 92 129.335 4.375 7.052 1.00 0.00 N ATOM 1530 CA VAL A 92 127.917 4.504 6.614 1.00 0.00 C ATOM 1531 C VAL A 92 127.177 5.467 7.545 1.00 0.00 C ATOM 1532 O VAL A 92 126.269 6.165 7.140 1.00 0.00 O ATOM 1533 CB VAL A 92 127.333 3.095 6.716 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.855 3.129 6.327 1.00 0.00 C ATOM 1535 CG2 VAL A 92 128.087 2.156 5.767 1.00 0.00 C ATOM 0 H VAL A 92 129.589 3.469 7.445 1.00 0.00 H new ATOM 0 HA VAL A 92 127.827 4.900 5.602 1.00 0.00 H new ATOM 0 HB VAL A 92 127.434 2.734 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.437 2.125 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.317 3.796 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.756 3.491 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.669 1.152 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.987 2.516 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.142 2.131 6.041 1.00 0.00 H new ATOM 1545 N SER A 93 127.567 5.516 8.790 1.00 0.00 N ATOM 1546 CA SER A 93 126.896 6.443 9.745 1.00 0.00 C ATOM 1547 C SER A 93 127.424 7.863 9.539 1.00 0.00 C ATOM 1548 O SER A 93 126.697 8.830 9.650 1.00 0.00 O ATOM 1549 CB SER A 93 127.268 5.925 11.134 1.00 0.00 C ATOM 1550 OG SER A 93 126.698 4.638 11.323 1.00 0.00 O ATOM 0 H SER A 93 128.321 4.955 9.187 1.00 0.00 H new ATOM 0 HA SER A 93 125.815 6.476 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 93 128.352 5.874 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 93 126.907 6.611 11.900 1.00 0.00 H new ATOM 0 HG SER A 93 127.172 3.985 10.767 1.00 0.00 H new ATOM 1556 N GLN A 94 128.686 7.993 9.230 1.00 0.00 N ATOM 1557 CA GLN A 94 129.260 9.349 9.006 1.00 0.00 C ATOM 1558 C GLN A 94 128.572 10.009 7.813 1.00 0.00 C ATOM 1559 O GLN A 94 128.255 11.182 7.834 1.00 0.00 O ATOM 1560 CB GLN A 94 130.742 9.109 8.714 1.00 0.00 C ATOM 1561 CG GLN A 94 131.478 8.803 10.020 1.00 0.00 C ATOM 1562 CD GLN A 94 131.695 10.101 10.800 1.00 0.00 C ATOM 1563 OE1 GLN A 94 130.748 10.744 11.206 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.911 10.516 11.028 1.00 0.00 N ATOM 0 H GLN A 94 129.343 7.220 9.123 1.00 0.00 H new ATOM 0 HA GLN A 94 129.121 10.010 9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.856 8.279 8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.176 9.988 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.900 8.099 10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.436 8.330 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.706 9.976 10.687 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.066 11.380 11.547 1.00 0.00 H new ATOM 1573 N GLN A 95 128.329 9.258 6.777 1.00 0.00 N ATOM 1574 CA GLN A 95 127.648 9.833 5.584 1.00 0.00 C ATOM 1575 C GLN A 95 126.224 10.243 5.958 1.00 0.00 C ATOM 1576 O GLN A 95 125.706 11.233 5.482 1.00 0.00 O ATOM 1577 CB GLN A 95 127.628 8.704 4.553 1.00 0.00 C ATOM 1578 CG GLN A 95 126.838 9.152 3.322 1.00 0.00 C ATOM 1579 CD GLN A 95 127.787 9.301 2.132 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.747 8.517 1.205 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.647 10.283 2.119 1.00 0.00 N ATOM 0 H GLN A 95 128.572 8.270 6.704 1.00 0.00 H new ATOM 0 HA GLN A 95 128.153 10.719 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.646 8.439 4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.175 7.811 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.060 8.424 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.338 10.100 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 95 128.681 10.942 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.285 10.392 1.331 1.00 0.00 H new ATOM 1590 N CYS A 96 125.592 9.490 6.816 1.00 0.00 N ATOM 1591 CA CYS A 96 124.205 9.838 7.232 1.00 0.00 C ATOM 1592 C CYS A 96 124.195 11.220 7.885 1.00 0.00 C ATOM 1593 O CYS A 96 123.302 12.014 7.671 1.00 0.00 O ATOM 1594 CB CYS A 96 123.811 8.760 8.243 1.00 0.00 C ATOM 1595 SG CYS A 96 122.052 8.915 8.636 1.00 0.00 S ATOM 0 H CYS A 96 125.976 8.649 7.247 1.00 0.00 H new ATOM 0 HA CYS A 96 123.512 9.874 6.392 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.017 7.771 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.407 8.861 9.150 1.00 0.00 H new ATOM 0 HG CYS A 96 121.376 8.037 7.956 1.00 0.00 H new ATOM 1601 N LYS A 97 125.191 11.513 8.674 1.00 0.00 N ATOM 1602 CA LYS A 97 125.249 12.847 9.335 1.00 0.00 C ATOM 1603 C LYS A 97 125.570 13.925 8.298 1.00 0.00 C ATOM 1604 O LYS A 97 125.115 15.048 8.390 1.00 0.00 O ATOM 1605 CB LYS A 97 126.377 12.734 10.362 1.00 0.00 C ATOM 1606 CG LYS A 97 125.860 13.160 11.737 1.00 0.00 C ATOM 1607 CD LYS A 97 127.023 13.200 12.730 1.00 0.00 C ATOM 1608 CE LYS A 97 127.853 14.464 12.494 1.00 0.00 C ATOM 1609 NZ LYS A 97 129.184 13.971 12.045 1.00 0.00 N ATOM 0 H LYS A 97 125.967 10.887 8.890 1.00 0.00 H new ATOM 0 HA LYS A 97 124.304 13.122 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.745 11.709 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.217 13.363 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.389 14.141 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.097 12.463 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.643 13.187 13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.647 12.315 12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 97 127.394 15.103 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.938 15.056 13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 129.805 14.781 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 129.607 13.385 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 129.070 13.402 11.182 1.00 0.00 H new ATOM 1623 N GLU A 98 126.347 13.586 7.307 1.00 0.00 N ATOM 1624 CA GLU A 98 126.698 14.581 6.255 1.00 0.00 C ATOM 1625 C GLU A 98 125.531 14.739 5.277 1.00 0.00 C ATOM 1626 O GLU A 98 125.448 15.701 4.541 1.00 0.00 O ATOM 1627 CB GLU A 98 127.917 13.992 5.546 1.00 0.00 C ATOM 1628 CG GLU A 98 129.037 13.767 6.563 1.00 0.00 C ATOM 1629 CD GLU A 98 129.848 15.054 6.723 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.451 15.885 7.524 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.851 15.187 6.043 1.00 0.00 O ATOM 0 H GLU A 98 126.755 12.660 7.180 1.00 0.00 H new ATOM 0 HA GLU A 98 126.906 15.568 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.652 13.050 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.255 14.667 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.616 13.468 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.685 12.955 6.233 1.00 0.00 H new ATOM 1638 N ASN A 99 124.628 13.797 5.271 1.00 0.00 N ATOM 1639 CA ASN A 99 123.462 13.882 4.352 1.00 0.00 C ATOM 1640 C ASN A 99 122.160 13.787 5.151 1.00 0.00 C ATOM 1641 O ASN A 99 121.200 13.179 4.723 1.00 0.00 O ATOM 1642 CB ASN A 99 123.605 12.682 3.414 1.00 0.00 C ATOM 1643 CG ASN A 99 123.377 13.133 1.969 1.00 0.00 C ATOM 1644 OD1 ASN A 99 122.666 14.087 1.723 1.00 0.00 O ATOM 1645 ND2 ASN A 99 123.955 12.482 0.997 1.00 0.00 N ATOM 0 H ASN A 99 124.649 12.969 5.866 1.00 0.00 H new ATOM 0 HA ASN A 99 123.434 14.823 3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.597 12.243 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.885 11.909 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 99 123.810 12.774 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.552 11.681 1.204 1.00 0.00 H new ATOM 1652 N MET A 100 122.123 14.383 6.312 1.00 0.00 N ATOM 1653 CA MET A 100 120.884 14.326 7.140 1.00 0.00 C ATOM 1654 C MET A 100 119.713 14.954 6.382 1.00 0.00 C ATOM 1655 O MET A 100 118.571 14.588 6.572 1.00 0.00 O ATOM 1656 CB MET A 100 121.209 15.134 8.396 1.00 0.00 C ATOM 1657 CG MET A 100 120.574 14.461 9.614 1.00 0.00 C ATOM 1658 SD MET A 100 119.320 15.556 10.324 1.00 0.00 S ATOM 1659 CE MET A 100 120.445 16.861 10.878 1.00 0.00 C ATOM 0 H MET A 100 122.896 14.906 6.723 1.00 0.00 H new ATOM 0 HA MET A 100 120.593 13.303 7.380 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.289 15.203 8.527 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.834 16.152 8.293 1.00 0.00 H new ATOM 0 HG2 MET A 100 120.122 13.513 9.324 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.338 14.235 10.358 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.048 17.325 11.781 1.00 0.00 H new ATOM 0 HE2 MET A 100 121.424 16.431 11.091 1.00 0.00 H new ATOM 0 HE3 MET A 100 120.542 17.614 10.096 1.00 0.00 H new ATOM 1669 N TYR A 101 119.988 15.896 5.523 1.00 0.00 N ATOM 1670 CA TYR A 101 118.889 16.544 4.751 1.00 0.00 C ATOM 1671 C TYR A 101 118.229 15.520 3.825 1.00 0.00 C ATOM 1672 O TYR A 101 117.065 15.626 3.492 1.00 0.00 O ATOM 1673 CB TYR A 101 119.570 17.643 3.935 1.00 0.00 C ATOM 1674 CG TYR A 101 120.496 18.433 4.828 1.00 0.00 C ATOM 1675 CD1 TYR A 101 120.037 18.918 6.058 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.813 18.682 4.424 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.895 19.653 6.885 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.671 19.417 5.251 1.00 0.00 C ATOM 1679 CZ TYR A 101 122.212 19.902 6.481 1.00 0.00 C ATOM 1680 OH TYR A 101 123.058 20.627 7.296 1.00 0.00 O ATOM 0 H TYR A 101 120.925 16.245 5.322 1.00 0.00 H new ATOM 0 HA TYR A 101 118.108 16.944 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.131 17.204 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.821 18.302 3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 101 119.021 18.725 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.167 18.307 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 101 120.541 20.028 7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 101 123.687 19.610 4.940 1.00 0.00 H new ATOM 0 HH TYR A 101 123.936 20.708 6.867 1.00 0.00 H new ATOM 1690 N ALA A 102 118.967 14.529 3.408 1.00 0.00 N ATOM 1691 CA ALA A 102 118.389 13.495 2.504 1.00 0.00 C ATOM 1692 C ALA A 102 117.488 12.548 3.299 1.00 0.00 C ATOM 1693 O ALA A 102 116.413 12.185 2.866 1.00 0.00 O ATOM 1694 CB ALA A 102 119.596 12.744 1.943 1.00 0.00 C ATOM 0 H ALA A 102 119.947 14.390 3.655 1.00 0.00 H new ATOM 0 HA ALA A 102 117.776 13.929 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.255 11.962 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.238 13.439 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 102 120.158 12.295 2.762 1.00 0.00 H new ATOM 1700 N VAL A 103 117.921 12.147 4.459 1.00 0.00 N ATOM 1701 CA VAL A 103 117.094 11.224 5.290 1.00 0.00 C ATOM 1702 C VAL A 103 115.884 11.968 5.860 1.00 0.00 C ATOM 1703 O VAL A 103 114.860 11.381 6.146 1.00 0.00 O ATOM 1704 CB VAL A 103 118.018 10.766 6.419 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.435 9.514 7.076 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.404 10.445 5.853 1.00 0.00 C ATOM 0 H VAL A 103 118.814 12.418 4.871 1.00 0.00 H new ATOM 0 HA VAL A 103 116.710 10.384 4.712 1.00 0.00 H new ATOM 0 HB VAL A 103 118.106 11.561 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 103 118.092 9.186 7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.449 9.742 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.347 8.721 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 103 120.060 10.119 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.319 9.651 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.821 11.336 5.384 1.00 0.00 H new ATOM 1716 N GLN A 104 115.997 13.257 6.029 1.00 0.00 N ATOM 1717 CA GLN A 104 114.857 14.040 6.582 1.00 0.00 C ATOM 1718 C GLN A 104 113.893 14.438 5.462 1.00 0.00 C ATOM 1719 O GLN A 104 112.712 14.621 5.681 1.00 0.00 O ATOM 1720 CB GLN A 104 115.494 15.282 7.205 1.00 0.00 C ATOM 1721 CG GLN A 104 116.328 14.875 8.420 1.00 0.00 C ATOM 1722 CD GLN A 104 115.559 15.206 9.701 1.00 0.00 C ATOM 1723 OE1 GLN A 104 115.284 14.333 10.501 1.00 0.00 O ATOM 1724 NE2 GLN A 104 115.198 16.438 9.930 1.00 0.00 N ATOM 0 H GLN A 104 116.830 13.802 5.808 1.00 0.00 H new ATOM 0 HA GLN A 104 114.280 13.468 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.123 15.787 6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.720 15.990 7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.550 13.808 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.283 15.400 8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 104 115.429 17.170 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 104 114.685 16.669 10.781 1.00 0.00 H new ATOM 1733 N THR A 105 114.389 14.574 4.264 1.00 0.00 N ATOM 1734 CA THR A 105 113.502 14.962 3.131 1.00 0.00 C ATOM 1735 C THR A 105 112.348 13.963 3.002 1.00 0.00 C ATOM 1736 O THR A 105 111.348 14.233 2.367 1.00 0.00 O ATOM 1737 CB THR A 105 114.401 14.920 1.893 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.762 15.601 0.823 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.659 13.466 1.494 1.00 0.00 C ATOM 0 H THR A 105 115.369 14.433 4.020 1.00 0.00 H new ATOM 0 HA THR A 105 113.053 15.945 3.270 1.00 0.00 H new ATOM 0 HB THR A 105 115.351 15.405 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.337 15.576 0.030 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.299 13.439 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.150 12.945 2.316 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.711 12.977 1.269 1.00 0.00 H new ATOM 1747 N LEU A 106 112.479 12.812 3.603 1.00 0.00 N ATOM 1748 CA LEU A 106 111.390 11.799 3.518 1.00 0.00 C ATOM 1749 C LEU A 106 110.278 12.137 4.515 1.00 0.00 C ATOM 1750 O LEU A 106 109.106 12.018 4.217 1.00 0.00 O ATOM 1751 CB LEU A 106 112.054 10.471 3.884 1.00 0.00 C ATOM 1752 CG LEU A 106 112.697 9.860 2.638 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.506 8.623 3.035 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.603 9.459 1.647 1.00 0.00 C ATOM 0 H LEU A 106 113.293 12.530 4.149 1.00 0.00 H new ATOM 0 HA LEU A 106 110.932 11.765 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.808 10.630 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.315 9.785 4.298 1.00 0.00 H new ATOM 0 HG LEU A 106 113.359 10.591 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.964 8.188 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.285 8.909 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.846 7.890 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.059 9.023 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.942 8.727 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.027 10.340 1.364 1.00 0.00 H new ATOM 1766 N LYS A 107 110.636 12.560 5.697 1.00 0.00 N ATOM 1767 CA LYS A 107 109.598 12.907 6.710 1.00 0.00 C ATOM 1768 C LYS A 107 108.564 13.855 6.099 1.00 0.00 C ATOM 1769 O LYS A 107 107.406 13.848 6.468 1.00 0.00 O ATOM 1770 CB LYS A 107 110.361 13.599 7.840 1.00 0.00 C ATOM 1771 CG LYS A 107 109.463 13.703 9.074 1.00 0.00 C ATOM 1772 CD LYS A 107 110.104 14.645 10.095 1.00 0.00 C ATOM 1773 CE LYS A 107 110.138 16.066 9.529 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.768 16.944 10.673 1.00 0.00 N ATOM 0 H LYS A 107 111.601 12.680 6.005 1.00 0.00 H new ATOM 0 HA LYS A 107 109.056 12.030 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 107 111.264 13.037 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.678 14.593 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.478 14.074 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 107 109.317 12.717 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.539 14.627 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 107 111.115 14.311 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 107 111.127 16.314 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 107 109.437 16.179 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.769 17.937 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 108.819 16.689 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 110.457 16.821 11.442 1.00 0.00 H new ATOM 1987 N VAL A 121 102.610 7.127 5.236 1.00 0.00 N ATOM 1988 CA VAL A 121 103.103 7.483 6.596 1.00 0.00 C ATOM 1989 C VAL A 121 104.198 6.508 7.032 1.00 0.00 C ATOM 1990 O VAL A 121 105.224 6.901 7.551 1.00 0.00 O ATOM 1991 CB VAL A 121 101.874 7.371 7.503 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.610 5.906 7.864 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.115 8.173 8.783 1.00 0.00 C ATOM 0 HA VAL A 121 103.541 8.480 6.633 1.00 0.00 H new ATOM 0 HB VAL A 121 101.007 7.766 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.734 5.842 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.433 5.333 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.475 5.498 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.242 8.095 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 121 102.988 7.777 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.287 9.219 8.530 1.00 0.00 H new ATOM 2003 N ASN A 122 103.987 5.240 6.822 1.00 0.00 N ATOM 2004 CA ASN A 122 105.015 4.238 7.222 1.00 0.00 C ATOM 2005 C ASN A 122 106.405 4.723 6.805 1.00 0.00 C ATOM 2006 O ASN A 122 107.378 4.529 7.506 1.00 0.00 O ATOM 2007 CB ASN A 122 104.641 2.962 6.467 1.00 0.00 C ATOM 2008 CG ASN A 122 104.136 1.912 7.458 1.00 0.00 C ATOM 2009 OD1 ASN A 122 103.347 2.214 8.332 1.00 0.00 O ATOM 2010 ND2 ASN A 122 104.559 0.681 7.358 1.00 0.00 N ATOM 0 H ASN A 122 103.148 4.853 6.391 1.00 0.00 H new ATOM 0 HA ASN A 122 105.042 4.077 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.871 3.178 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.507 2.580 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 122 104.227 -0.027 8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.221 0.427 6.625 1.00 0.00 H new ATOM 2017 N VAL A 123 106.503 5.358 5.669 1.00 0.00 N ATOM 2018 CA VAL A 123 107.827 5.862 5.204 1.00 0.00 C ATOM 2019 C VAL A 123 108.172 7.173 5.916 1.00 0.00 C ATOM 2020 O VAL A 123 109.309 7.422 6.264 1.00 0.00 O ATOM 2021 CB VAL A 123 107.653 6.096 3.704 1.00 0.00 C ATOM 2022 CG1 VAL A 123 106.737 7.300 3.478 1.00 0.00 C ATOM 2023 CG2 VAL A 123 109.017 6.370 3.067 1.00 0.00 C ATOM 0 H VAL A 123 105.722 5.550 5.042 1.00 0.00 H new ATOM 0 HA VAL A 123 108.636 5.163 5.417 1.00 0.00 H new ATOM 0 HB VAL A 123 107.210 5.210 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 123 106.613 7.467 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 123 105.764 7.107 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 123 107.180 8.185 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.892 6.537 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.460 7.255 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 123 109.672 5.513 3.227 1.00 0.00 H new ATOM 2033 N ARG A 124 107.197 8.014 6.135 1.00 0.00 N ATOM 2034 CA ARG A 124 107.470 9.309 6.823 1.00 0.00 C ATOM 2035 C ARG A 124 108.160 9.064 8.166 1.00 0.00 C ATOM 2036 O ARG A 124 109.222 9.589 8.436 1.00 0.00 O ATOM 2037 CB ARG A 124 106.094 9.943 7.036 1.00 0.00 C ATOM 2038 CG ARG A 124 106.237 11.466 7.085 1.00 0.00 C ATOM 2039 CD ARG A 124 104.849 12.111 7.115 1.00 0.00 C ATOM 2040 NE ARG A 124 104.685 12.603 8.511 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.596 13.234 8.857 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.553 12.563 9.261 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.551 14.537 8.797 1.00 0.00 N ATOM 0 H ARG A 124 106.225 7.861 5.868 1.00 0.00 H new ATOM 0 HA ARG A 124 108.131 9.952 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.420 9.656 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.653 9.578 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.805 11.760 7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.794 11.817 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 124 104.778 12.928 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.073 11.391 6.856 1.00 0.00 H new ATOM 0 HE ARG A 124 105.424 12.447 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 124 102.588 11.545 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.702 13.057 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 124 104.366 15.061 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 124 102.700 15.031 9.067 1.00 0.00 H new ATOM 2057 N GLU A 125 107.561 8.273 9.008 1.00 0.00 N ATOM 2058 CA GLU A 125 108.174 7.993 10.338 1.00 0.00 C ATOM 2059 C GLU A 125 109.457 7.172 10.176 1.00 0.00 C ATOM 2060 O GLU A 125 110.363 7.258 10.980 1.00 0.00 O ATOM 2061 CB GLU A 125 107.118 7.192 11.100 1.00 0.00 C ATOM 2062 CG GLU A 125 105.844 8.027 11.237 1.00 0.00 C ATOM 2063 CD GLU A 125 105.329 7.938 12.675 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.416 6.864 13.249 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.856 8.944 13.178 1.00 0.00 O ATOM 0 H GLU A 125 106.671 7.806 8.834 1.00 0.00 H new ATOM 0 HA GLU A 125 108.451 8.908 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.901 6.263 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.495 6.919 12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.047 9.066 10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.084 7.667 10.544 1.00 0.00 H new ATOM 2072 N LYS A 126 109.543 6.379 9.144 1.00 0.00 N ATOM 2073 CA LYS A 126 110.772 5.559 8.939 1.00 0.00 C ATOM 2074 C LYS A 126 111.988 6.473 8.787 1.00 0.00 C ATOM 2075 O LYS A 126 112.936 6.395 9.543 1.00 0.00 O ATOM 2076 CB LYS A 126 110.523 4.781 7.647 1.00 0.00 C ATOM 2077 CG LYS A 126 111.347 3.491 7.658 1.00 0.00 C ATOM 2078 CD LYS A 126 110.878 2.591 8.803 1.00 0.00 C ATOM 2079 CE LYS A 126 112.092 2.081 9.584 1.00 0.00 C ATOM 2080 NZ LYS A 126 111.541 1.087 10.547 1.00 0.00 N ATOM 0 H LYS A 126 108.819 6.263 8.435 1.00 0.00 H new ATOM 0 HA LYS A 126 110.971 4.894 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.463 4.547 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.795 5.391 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.240 2.971 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.405 3.725 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 126 110.213 3.145 9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.307 1.750 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.825 1.623 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 126 112.598 2.895 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.315 0.693 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 110.852 1.553 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.072 0.320 10.024 1.00 0.00 H new ATOM 2094 N ALA A 127 111.965 7.340 7.814 1.00 0.00 N ATOM 2095 CA ALA A 127 113.118 8.262 7.610 1.00 0.00 C ATOM 2096 C ALA A 127 113.406 9.037 8.898 1.00 0.00 C ATOM 2097 O ALA A 127 114.543 9.208 9.289 1.00 0.00 O ATOM 2098 CB ALA A 127 112.673 9.212 6.499 1.00 0.00 C ATOM 0 H ALA A 127 111.198 7.451 7.151 1.00 0.00 H new ATOM 0 HA ALA A 127 114.033 7.730 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.470 9.925 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.451 8.640 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.779 9.750 6.816 1.00 0.00 H new ATOM 2104 N LYS A 128 112.384 9.505 9.562 1.00 0.00 N ATOM 2105 CA LYS A 128 112.603 10.267 10.825 1.00 0.00 C ATOM 2106 C LYS A 128 113.335 9.394 11.848 1.00 0.00 C ATOM 2107 O LYS A 128 114.147 9.868 12.617 1.00 0.00 O ATOM 2108 CB LYS A 128 111.200 10.615 11.324 1.00 0.00 C ATOM 2109 CG LYS A 128 111.265 11.863 12.208 1.00 0.00 C ATOM 2110 CD LYS A 128 111.601 11.455 13.643 1.00 0.00 C ATOM 2111 CE LYS A 128 112.586 12.460 14.243 1.00 0.00 C ATOM 2112 NZ LYS A 128 112.486 12.263 15.716 1.00 0.00 N ATOM 0 H LYS A 128 111.409 9.393 9.285 1.00 0.00 H new ATOM 0 HA LYS A 128 113.214 11.157 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.535 10.790 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.786 9.779 11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.020 12.552 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.311 12.390 12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 128 110.692 11.418 14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 128 112.033 10.454 13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 128 113.601 12.279 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 128 112.328 13.481 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 113.134 12.918 16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 111.511 12.449 16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 112.744 11.284 15.954 1.00 0.00 H new ATOM 2126 N GLN A 129 113.051 8.120 11.862 1.00 0.00 N ATOM 2127 CA GLN A 129 113.726 7.214 12.836 1.00 0.00 C ATOM 2128 C GLN A 129 115.228 7.136 12.543 1.00 0.00 C ATOM 2129 O GLN A 129 116.050 7.344 13.413 1.00 0.00 O ATOM 2130 CB GLN A 129 113.069 5.849 12.624 1.00 0.00 C ATOM 2131 CG GLN A 129 113.266 4.987 13.873 1.00 0.00 C ATOM 2132 CD GLN A 129 111.982 4.992 14.705 1.00 0.00 C ATOM 2133 OE1 GLN A 129 110.894 5.006 14.164 1.00 0.00 O ATOM 2134 NE2 GLN A 129 112.063 4.979 16.007 1.00 0.00 N ATOM 0 H GLN A 129 112.381 7.667 11.241 1.00 0.00 H new ATOM 0 HA GLN A 129 113.623 7.565 13.863 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.006 5.973 12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.505 5.355 11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 129 113.522 3.967 13.587 1.00 0.00 H new ATOM 0 HG3 GLN A 129 114.097 5.371 14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 129 112.976 4.967 16.461 1.00 0.00 H new ATOM 0 HE22 GLN A 129 111.213 4.981 16.571 1.00 0.00 H new ATOM 2143 N LEU A 130 115.592 6.834 11.327 1.00 0.00 N ATOM 2144 CA LEU A 130 117.041 6.739 10.985 1.00 0.00 C ATOM 2145 C LEU A 130 117.793 7.966 11.501 1.00 0.00 C ATOM 2146 O LEU A 130 118.902 7.868 11.988 1.00 0.00 O ATOM 2147 CB LEU A 130 117.089 6.682 9.458 1.00 0.00 C ATOM 2148 CG LEU A 130 117.822 5.413 9.020 1.00 0.00 C ATOM 2149 CD1 LEU A 130 117.089 4.780 7.837 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.250 5.768 8.602 1.00 0.00 C ATOM 0 H LEU A 130 114.950 6.649 10.556 1.00 0.00 H new ATOM 0 HA LEU A 130 117.512 5.867 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.078 6.690 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 130 117.598 7.563 9.066 1.00 0.00 H new ATOM 0 HG LEU A 130 117.849 4.707 9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 130 117.613 3.876 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 130 116.071 4.526 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.060 5.486 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.773 4.864 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.221 6.475 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.775 6.218 9.445 1.00 0.00 H new ATOM 2162 N VAL A 131 117.201 9.121 11.397 1.00 0.00 N ATOM 2163 CA VAL A 131 117.883 10.355 11.880 1.00 0.00 C ATOM 2164 C VAL A 131 117.803 10.444 13.406 1.00 0.00 C ATOM 2165 O VAL A 131 118.681 10.980 14.053 1.00 0.00 O ATOM 2166 CB VAL A 131 117.119 11.509 11.233 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.905 12.806 11.422 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.950 11.230 9.738 1.00 0.00 C ATOM 0 H VAL A 131 116.273 9.266 10.998 1.00 0.00 H new ATOM 0 HA VAL A 131 118.941 10.370 11.619 1.00 0.00 H new ATOM 0 HB VAL A 131 116.139 11.606 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.362 13.631 10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 131 118.030 13.004 12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.884 12.710 10.953 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.405 12.052 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 131 117.931 11.136 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.393 10.303 9.602 1.00 0.00 H new ATOM 2178 N ALA A 132 116.758 9.922 13.987 1.00 0.00 N ATOM 2179 CA ALA A 132 116.625 9.978 15.472 1.00 0.00 C ATOM 2180 C ALA A 132 117.743 9.168 16.133 1.00 0.00 C ATOM 2181 O ALA A 132 118.497 9.675 16.940 1.00 0.00 O ATOM 2182 CB ALA A 132 115.262 9.354 15.771 1.00 0.00 C ATOM 0 H ALA A 132 115.991 9.459 13.499 1.00 0.00 H new ATOM 0 HA ALA A 132 116.700 10.995 15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.088 9.358 16.847 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.481 9.931 15.275 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.243 8.328 15.404 1.00 0.00 H new ATOM 2188 N LEU A 133 117.854 7.912 15.799 1.00 0.00 N ATOM 2189 CA LEU A 133 118.922 7.068 16.409 1.00 0.00 C ATOM 2190 C LEU A 133 120.303 7.659 16.109 1.00 0.00 C ATOM 2191 O LEU A 133 121.097 7.888 17.000 1.00 0.00 O ATOM 2192 CB LEU A 133 118.768 5.698 15.749 1.00 0.00 C ATOM 2193 CG LEU A 133 117.658 4.916 16.453 1.00 0.00 C ATOM 2194 CD1 LEU A 133 116.349 5.073 15.677 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.040 3.435 16.513 1.00 0.00 C ATOM 0 H LEU A 133 117.252 7.433 15.130 1.00 0.00 H new ATOM 0 HA LEU A 133 118.833 7.010 17.494 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.530 5.816 14.692 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.707 5.148 15.805 1.00 0.00 H new ATOM 0 HG LEU A 133 117.528 5.301 17.464 1.00 0.00 H new ATOM 0 HD11 LEU A 133 115.559 4.515 16.180 1.00 0.00 H new ATOM 0 HD12 LEU A 133 116.077 6.128 15.632 1.00 0.00 H new ATOM 0 HD13 LEU A 133 116.477 4.688 14.665 1.00 0.00 H new ATOM 0 HD21 LEU A 133 117.250 2.876 17.014 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.170 3.051 15.501 1.00 0.00 H new ATOM 0 HD23 LEU A 133 118.972 3.322 17.066 1.00 0.00 H new ATOM 2207 N LEU A 134 120.596 7.908 14.862 1.00 0.00 N ATOM 2208 CA LEU A 134 121.926 8.484 14.509 1.00 0.00 C ATOM 2209 C LEU A 134 122.164 9.780 15.290 1.00 0.00 C ATOM 2210 O LEU A 134 123.279 10.245 15.418 1.00 0.00 O ATOM 2211 CB LEU A 134 121.849 8.768 13.008 1.00 0.00 C ATOM 2212 CG LEU A 134 122.216 7.505 12.228 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.250 7.328 11.055 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.646 7.633 11.697 1.00 0.00 C ATOM 0 H LEU A 134 119.973 7.738 14.072 1.00 0.00 H new ATOM 0 HA LEU A 134 122.747 7.810 14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.844 9.094 12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.528 9.580 12.746 1.00 0.00 H new ATOM 0 HG LEU A 134 122.148 6.639 12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.513 6.427 10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.232 7.237 11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.316 8.193 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.909 6.733 11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.714 8.499 11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.335 7.757 12.533 1.00 0.00 H new