USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 700 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 106 THR OG1 : rot -11:sc= 0.0904 USER MOD Set 1.2: A 108 ASN : amide:sc= -0.109 X(o=-0.019,f=-0.092) USER MOD Set 2.1: A 68 HIS : no HE2:sc= 0.611 K(o=1.4,f=-8.9!) USER MOD Set 2.2: A 79 THR OG1 : rot 123:sc= 0.764 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -7.24! C(o=-7.2!,f=-8.6!) USER MOD Single : A 34 ASN : amide:sc= -6.43! C(o=-6.4!,f=-6.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.606) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -58:sc= 0.6 USER MOD Single : A 57 GLN : amide:sc= -0.361 K(o=-0.36,f=-0.98) USER MOD Single : A 58 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 130:sc= -0.725 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.166 (180deg=-0.098) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0.662 (180deg=0.598) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.4) USER MOD Single : A 84 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.29) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.9!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.229 USER MOD Single : A 105 MET CE :methyl -109:sc= -5.42! (180deg=-8.32!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -130:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -1.32! K(o=-1.3!,f=0.084) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 124 ASN : amide:sc= -2.05! C(o=-2.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.232 17.213 9.172 1.00 0.00 N ATOM 340 CA VAL A 27 -0.016 15.794 9.397 1.00 0.00 C ATOM 341 C VAL A 27 -0.943 15.581 10.588 1.00 0.00 C ATOM 342 O VAL A 27 -0.994 16.386 11.519 1.00 0.00 O ATOM 343 CB VAL A 27 1.297 15.026 9.638 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.247 15.211 8.465 1.00 0.00 C ATOM 345 CG2 VAL A 27 1.947 15.478 10.937 1.00 0.00 C ATOM 0 HA VAL A 27 -0.493 15.409 8.496 1.00 0.00 H new ATOM 0 HB VAL A 27 1.066 13.964 9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.169 14.661 8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.779 14.835 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.474 16.270 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.874 14.925 11.092 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.165 16.545 10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.268 15.289 11.769 1.00 0.00 H new ATOM 355 N PRO A 28 -1.694 14.470 10.562 1.00 0.00 N ATOM 356 CA PRO A 28 -2.633 14.124 11.633 1.00 0.00 C ATOM 357 C PRO A 28 -1.921 13.730 12.923 1.00 0.00 C ATOM 358 O PRO A 28 -0.718 13.469 12.924 1.00 0.00 O ATOM 359 CB PRO A 28 -3.400 12.930 11.060 1.00 0.00 C ATOM 360 CG PRO A 28 -2.471 12.324 10.065 1.00 0.00 C ATOM 361 CD PRO A 28 -1.684 13.466 9.484 1.00 0.00 C ATOM 0 HA PRO A 28 -3.269 14.966 11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.663 12.217 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.331 13.246 10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.812 11.597 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.023 11.795 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.669 13.164 9.225 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.144 13.849 8.573 1.00 0.00 H new ATOM 369 N SER A 29 -2.672 13.688 14.019 1.00 0.00 N ATOM 370 CA SER A 29 -2.112 13.329 15.316 1.00 0.00 C ATOM 371 C SER A 29 -2.802 12.091 15.882 1.00 0.00 C ATOM 372 O SER A 29 -2.177 11.271 16.554 1.00 0.00 O ATOM 373 CB SER A 29 -2.249 14.496 16.295 1.00 0.00 C ATOM 374 OG SER A 29 -1.755 15.697 15.730 1.00 0.00 O ATOM 0 H SER A 29 -3.670 13.898 14.034 1.00 0.00 H new ATOM 0 HA SER A 29 -1.055 13.103 15.178 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.296 14.623 16.569 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.704 14.271 17.212 1.00 0.00 H new ATOM 0 HG SER A 29 -1.856 16.428 16.375 1.00 0.00 H new ATOM 380 N ALA A 30 -4.095 11.964 15.605 1.00 0.00 N ATOM 381 CA ALA A 30 -4.871 10.826 16.084 1.00 0.00 C ATOM 382 C ALA A 30 -4.817 9.669 15.093 1.00 0.00 C ATOM 383 O ALA A 30 -4.929 9.852 13.880 1.00 0.00 O ATOM 384 CB ALA A 30 -6.313 11.240 16.337 1.00 0.00 C ATOM 0 H ALA A 30 -4.628 12.635 15.051 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.432 10.487 17.022 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.881 10.381 16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.338 12.029 17.088 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.754 11.607 15.410 1.00 0.00 H new ATOM 390 N PRO A 31 -4.640 8.447 15.618 1.00 0.00 N ATOM 391 CA PRO A 31 -4.567 7.235 14.796 1.00 0.00 C ATOM 392 C PRO A 31 -5.910 6.879 14.168 1.00 0.00 C ATOM 393 O PRO A 31 -6.952 7.436 14.514 1.00 0.00 O ATOM 394 CB PRO A 31 -4.139 6.156 15.793 1.00 0.00 C ATOM 395 CG PRO A 31 -4.606 6.656 17.116 1.00 0.00 C ATOM 396 CD PRO A 31 -4.499 8.155 17.054 1.00 0.00 C ATOM 0 HA PRO A 31 -3.883 7.353 13.955 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.590 5.193 15.552 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.058 6.014 15.783 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.633 6.346 17.310 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.994 6.254 17.923 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.280 8.638 17.641 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.544 8.506 17.444 1.00 0.00 H new ATOM 404 N PRO A 32 -5.889 5.927 13.223 1.00 0.00 N ATOM 405 CA PRO A 32 -7.097 5.474 12.528 1.00 0.00 C ATOM 406 C PRO A 32 -8.029 4.684 13.441 1.00 0.00 C ATOM 407 O PRO A 32 -7.654 4.312 14.553 1.00 0.00 O ATOM 408 CB PRO A 32 -6.551 4.576 11.415 1.00 0.00 C ATOM 409 CG PRO A 32 -5.236 4.098 11.926 1.00 0.00 C ATOM 410 CD PRO A 32 -4.683 5.220 12.761 1.00 0.00 C ATOM 0 HA PRO A 32 -7.696 6.309 12.165 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.224 3.743 11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.437 5.127 10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.354 3.192 12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.563 3.855 11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.092 4.845 13.597 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.033 5.872 12.178 1.00 0.00 H new ATOM 418 N GLN A 33 -9.243 4.431 12.964 1.00 0.00 N ATOM 419 CA GLN A 33 -10.228 3.685 13.738 1.00 0.00 C ATOM 420 C GLN A 33 -10.625 2.400 13.020 1.00 0.00 C ATOM 421 O GLN A 33 -10.238 2.173 11.874 1.00 0.00 O ATOM 422 CB GLN A 33 -11.467 4.545 13.992 1.00 0.00 C ATOM 423 CG GLN A 33 -11.168 5.838 14.735 1.00 0.00 C ATOM 424 CD GLN A 33 -10.802 6.976 13.803 1.00 0.00 C ATOM 425 OE1 GLN A 33 -9.659 7.434 13.782 1.00 0.00 O ATOM 426 NE2 GLN A 33 -11.773 7.439 13.024 1.00 0.00 N ATOM 0 H GLN A 33 -9.568 4.732 12.045 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.776 3.421 14.694 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.935 4.784 13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.190 3.965 14.565 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.039 6.123 15.325 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.350 5.669 15.435 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.706 7.030 13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.586 8.204 12.376 1.00 0.00 H new ATOM 435 N ASN A 34 -11.400 1.562 13.701 1.00 0.00 N ATOM 436 CA ASN A 34 -11.850 0.299 13.128 1.00 0.00 C ATOM 437 C ASN A 34 -10.677 -0.477 12.535 1.00 0.00 C ATOM 438 O ASN A 34 -10.786 -1.059 11.456 1.00 0.00 O ATOM 439 CB ASN A 34 -12.906 0.551 12.049 1.00 0.00 C ATOM 440 CG ASN A 34 -14.303 0.675 12.626 1.00 0.00 C ATOM 441 OD1 ASN A 34 -15.134 -0.219 12.465 1.00 0.00 O ATOM 442 ND2 ASN A 34 -14.567 1.786 13.303 1.00 0.00 N ATOM 0 H ASN A 34 -11.729 1.735 14.651 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.292 -0.297 13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.657 1.463 11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.885 -0.265 11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.490 1.925 13.715 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.847 2.500 13.411 1.00 0.00 H new ATOM 449 N VAL A 35 -9.556 -0.482 13.249 1.00 0.00 N ATOM 450 CA VAL A 35 -8.364 -1.187 12.796 1.00 0.00 C ATOM 451 C VAL A 35 -8.326 -2.610 13.342 1.00 0.00 C ATOM 452 O VAL A 35 -7.680 -2.881 14.354 1.00 0.00 O ATOM 453 CB VAL A 35 -7.080 -0.451 13.222 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.848 -1.250 12.823 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.040 0.944 12.618 1.00 0.00 C ATOM 0 H VAL A 35 -9.449 -0.005 14.144 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.411 -1.220 11.707 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.083 -0.352 14.307 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.951 -0.714 13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.874 -2.225 13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.836 -1.384 11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.126 1.449 12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.061 0.870 11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.904 1.514 12.960 1.00 0.00 H new ATOM 465 N SER A 36 -9.023 -3.517 12.664 1.00 0.00 N ATOM 466 CA SER A 36 -9.072 -4.913 13.084 1.00 0.00 C ATOM 467 C SER A 36 -8.693 -5.839 11.932 1.00 0.00 C ATOM 468 O SER A 36 -8.926 -5.525 10.764 1.00 0.00 O ATOM 469 CB SER A 36 -10.470 -5.264 13.597 1.00 0.00 C ATOM 470 OG SER A 36 -10.596 -4.967 14.977 1.00 0.00 O ATOM 0 H SER A 36 -9.561 -3.310 11.822 1.00 0.00 H new ATOM 0 HA SER A 36 -8.352 -5.051 13.891 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.218 -4.708 13.032 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.667 -6.323 13.430 1.00 0.00 H new ATOM 0 HG SER A 36 -11.499 -5.199 15.280 1.00 0.00 H new ATOM 476 N LEU A 37 -8.108 -6.983 12.270 1.00 0.00 N ATOM 477 CA LEU A 37 -7.696 -7.957 11.265 1.00 0.00 C ATOM 478 C LEU A 37 -8.582 -9.198 11.315 1.00 0.00 C ATOM 479 O LEU A 37 -8.829 -9.753 12.385 1.00 0.00 O ATOM 480 CB LEU A 37 -6.234 -8.352 11.478 1.00 0.00 C ATOM 481 CG LEU A 37 -5.225 -7.202 11.503 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.970 -7.610 12.259 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.880 -6.767 10.086 1.00 0.00 C ATOM 0 H LEU A 37 -7.908 -7.259 13.232 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.802 -7.496 10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.159 -8.896 12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.946 -9.044 10.687 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.677 -6.357 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.264 -6.780 12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.232 -7.873 13.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.514 -8.470 11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.161 -5.948 10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.447 -7.607 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.785 -6.434 9.577 1.00 0.00 H new ATOM 495 N GLU A 38 -9.055 -9.629 10.149 1.00 0.00 N ATOM 496 CA GLU A 38 -9.911 -10.805 10.061 1.00 0.00 C ATOM 497 C GLU A 38 -9.145 -11.994 9.487 1.00 0.00 C ATOM 498 O GLU A 38 -8.241 -11.828 8.669 1.00 0.00 O ATOM 499 CB GLU A 38 -11.136 -10.508 9.194 1.00 0.00 C ATOM 500 CG GLU A 38 -12.357 -11.336 9.559 1.00 0.00 C ATOM 501 CD GLU A 38 -13.446 -11.266 8.507 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.155 -11.570 7.331 1.00 0.00 O ATOM 503 OE2 GLU A 38 -14.589 -10.906 8.858 1.00 0.00 O ATOM 0 H GLU A 38 -8.860 -9.181 9.254 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.240 -11.059 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.385 -9.451 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.884 -10.690 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.058 -12.375 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.755 -10.988 10.512 1.00 0.00 H new ATOM 510 N VAL A 39 -9.514 -13.195 9.924 1.00 0.00 N ATOM 511 CA VAL A 39 -8.863 -14.412 9.455 1.00 0.00 C ATOM 512 C VAL A 39 -9.770 -15.189 8.507 1.00 0.00 C ATOM 513 O VAL A 39 -10.672 -15.906 8.941 1.00 0.00 O ATOM 514 CB VAL A 39 -8.465 -15.324 10.630 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.795 -16.591 10.120 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.554 -14.581 11.596 1.00 0.00 C ATOM 0 H VAL A 39 -10.260 -13.350 10.602 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.963 -14.105 8.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.369 -15.611 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.521 -17.223 10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.484 -17.131 9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.899 -16.328 9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.283 -15.240 12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.652 -14.263 11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.074 -13.707 11.987 1.00 0.00 H new ATOM 526 N VAL A 40 -9.524 -15.043 7.209 1.00 0.00 N ATOM 527 CA VAL A 40 -10.317 -15.733 6.198 1.00 0.00 C ATOM 528 C VAL A 40 -9.845 -17.171 6.016 1.00 0.00 C ATOM 529 O VAL A 40 -10.649 -18.102 6.005 1.00 0.00 O ATOM 530 CB VAL A 40 -10.250 -15.007 4.841 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.081 -15.743 3.800 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.715 -13.566 4.984 1.00 0.00 C ATOM 0 H VAL A 40 -8.782 -14.453 6.833 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.348 -15.734 6.551 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.213 -14.998 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.022 -15.216 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.698 -16.756 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.120 -15.785 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.661 -13.068 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.744 -13.550 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.074 -13.046 5.696 1.00 0.00 H new ATOM 542 N ASN A 41 -8.535 -17.345 5.876 1.00 0.00 N ATOM 543 CA ASN A 41 -7.955 -18.671 5.695 1.00 0.00 C ATOM 544 C ASN A 41 -6.577 -18.755 6.344 1.00 0.00 C ATOM 545 O ASN A 41 -6.120 -17.806 6.981 1.00 0.00 O ATOM 546 CB ASN A 41 -7.851 -19.006 4.206 1.00 0.00 C ATOM 547 CG ASN A 41 -9.207 -19.064 3.530 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.156 -19.635 4.066 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.304 -18.471 2.346 1.00 0.00 N ATOM 0 H ASN A 41 -7.855 -16.585 5.884 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.610 -19.396 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.233 -18.257 3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.347 -19.965 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.192 -18.477 1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.491 -18.009 1.939 1.00 0.00 H new ATOM 556 N SER A 42 -5.919 -19.898 6.177 1.00 0.00 N ATOM 557 CA SER A 42 -4.594 -20.108 6.749 1.00 0.00 C ATOM 558 C SER A 42 -3.514 -19.510 5.852 1.00 0.00 C ATOM 559 O SER A 42 -2.396 -19.250 6.297 1.00 0.00 O ATOM 560 CB SER A 42 -4.334 -21.601 6.953 1.00 0.00 C ATOM 561 OG SER A 42 -4.313 -22.290 5.715 1.00 0.00 O ATOM 0 H SER A 42 -6.282 -20.693 5.650 1.00 0.00 H new ATOM 0 HA SER A 42 -4.559 -19.605 7.715 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.383 -21.741 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.107 -22.023 7.595 1.00 0.00 H new ATOM 0 HG SER A 42 -4.143 -23.242 5.873 1.00 0.00 H new ATOM 567 N ARG A 43 -3.857 -19.296 4.586 1.00 0.00 N ATOM 568 CA ARG A 43 -2.918 -18.731 3.625 1.00 0.00 C ATOM 569 C ARG A 43 -3.319 -17.308 3.245 1.00 0.00 C ATOM 570 O ARG A 43 -2.504 -16.538 2.736 1.00 0.00 O ATOM 571 CB ARG A 43 -2.849 -19.605 2.372 1.00 0.00 C ATOM 572 CG ARG A 43 -2.625 -21.078 2.668 1.00 0.00 C ATOM 573 CD ARG A 43 -2.169 -21.833 1.429 1.00 0.00 C ATOM 574 NE ARG A 43 -0.843 -21.409 0.987 1.00 0.00 N ATOM 575 CZ ARG A 43 -0.282 -21.815 -0.147 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.928 -22.650 -0.948 1.00 0.00 N ATOM 577 NH2 ARG A 43 0.928 -21.385 -0.480 1.00 0.00 N ATOM 0 H ARG A 43 -4.778 -19.505 4.202 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.934 -18.700 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.776 -19.493 1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.043 -19.245 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.878 -21.182 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.548 -21.519 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.156 -22.902 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.887 -21.676 0.624 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.319 -20.766 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.858 -22.983 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.495 -22.960 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.428 -20.743 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.358 -21.697 -1.351 1.00 0.00 H new ATOM 591 N SER A 44 -4.579 -16.967 3.495 1.00 0.00 N ATOM 592 CA SER A 44 -5.089 -15.639 3.175 1.00 0.00 C ATOM 593 C SER A 44 -5.532 -14.909 4.439 1.00 0.00 C ATOM 594 O SER A 44 -5.857 -15.534 5.449 1.00 0.00 O ATOM 595 CB SER A 44 -6.260 -15.742 2.196 1.00 0.00 C ATOM 596 OG SER A 44 -5.973 -16.657 1.152 1.00 0.00 O ATOM 0 H SER A 44 -5.265 -17.592 3.918 1.00 0.00 H new ATOM 0 HA SER A 44 -4.284 -15.070 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.156 -16.062 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.473 -14.760 1.775 1.00 0.00 H new ATOM 0 HG SER A 44 -6.737 -16.706 0.541 1.00 0.00 H new ATOM 602 N ILE A 45 -5.541 -13.581 4.375 1.00 0.00 N ATOM 603 CA ILE A 45 -5.944 -12.765 5.513 1.00 0.00 C ATOM 604 C ILE A 45 -6.560 -11.448 5.054 1.00 0.00 C ATOM 605 O ILE A 45 -6.040 -10.786 4.156 1.00 0.00 O ATOM 606 CB ILE A 45 -4.752 -12.465 6.441 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.175 -13.765 7.003 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.179 -11.537 7.568 1.00 0.00 C ATOM 609 CD1 ILE A 45 -2.980 -13.556 7.907 1.00 0.00 C ATOM 0 H ILE A 45 -5.274 -13.048 3.547 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.688 -13.339 6.065 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.975 -11.967 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.953 -14.288 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.885 -14.412 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.326 -11.334 8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.547 -10.601 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.971 -12.010 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.624 -14.521 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.184 -13.061 7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.269 -12.935 8.755 1.00 0.00 H new ATOM 621 N LYS A 46 -7.672 -11.072 5.677 1.00 0.00 N ATOM 622 CA LYS A 46 -8.359 -9.832 5.336 1.00 0.00 C ATOM 623 C LYS A 46 -8.002 -8.723 6.321 1.00 0.00 C ATOM 624 O LYS A 46 -7.995 -8.934 7.534 1.00 0.00 O ATOM 625 CB LYS A 46 -9.874 -10.051 5.326 1.00 0.00 C ATOM 626 CG LYS A 46 -10.659 -8.847 4.835 1.00 0.00 C ATOM 627 CD LYS A 46 -10.545 -8.684 3.329 1.00 0.00 C ATOM 628 CE LYS A 46 -11.431 -7.556 2.822 1.00 0.00 C ATOM 629 NZ LYS A 46 -11.293 -7.361 1.352 1.00 0.00 N ATOM 0 H LYS A 46 -8.117 -11.609 6.421 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.035 -9.528 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.105 -10.908 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.203 -10.302 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.707 -8.958 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.292 -7.947 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.508 -8.482 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.825 -9.616 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.471 -7.775 3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.172 -6.631 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.211 -7.083 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.593 -6.615 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.978 -8.249 0.912 1.00 0.00 H new ATOM 643 N VAL A 47 -7.706 -7.540 5.791 1.00 0.00 N ATOM 644 CA VAL A 47 -7.351 -6.397 6.623 1.00 0.00 C ATOM 645 C VAL A 47 -8.133 -5.155 6.214 1.00 0.00 C ATOM 646 O VAL A 47 -8.002 -4.668 5.090 1.00 0.00 O ATOM 647 CB VAL A 47 -5.843 -6.092 6.542 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.490 -4.909 7.431 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.030 -7.319 6.925 1.00 0.00 C ATOM 0 H VAL A 47 -7.705 -7.349 4.789 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.606 -6.661 7.649 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.597 -5.829 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.421 -4.708 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.047 -4.030 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.749 -5.140 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.967 -7.085 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.277 -7.615 7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.263 -8.137 6.243 1.00 0.00 H new ATOM 659 N SER A 48 -8.947 -4.645 7.132 1.00 0.00 N ATOM 660 CA SER A 48 -9.754 -3.460 6.866 1.00 0.00 C ATOM 661 C SER A 48 -9.425 -2.345 7.855 1.00 0.00 C ATOM 662 O SER A 48 -8.674 -2.549 8.809 1.00 0.00 O ATOM 663 CB SER A 48 -11.243 -3.803 6.943 1.00 0.00 C ATOM 664 OG SER A 48 -11.633 -4.083 8.277 1.00 0.00 O ATOM 0 H SER A 48 -9.065 -5.034 8.067 1.00 0.00 H new ATOM 0 HA SER A 48 -9.521 -3.110 5.860 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.832 -2.971 6.556 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.454 -4.665 6.310 1.00 0.00 H new ATOM 0 HG SER A 48 -12.589 -4.298 8.300 1.00 0.00 H new ATOM 670 N TRP A 49 -9.993 -1.168 7.619 1.00 0.00 N ATOM 671 CA TRP A 49 -9.761 -0.020 8.488 1.00 0.00 C ATOM 672 C TRP A 49 -10.651 1.152 8.091 1.00 0.00 C ATOM 673 O TRP A 49 -11.299 1.126 7.044 1.00 0.00 O ATOM 674 CB TRP A 49 -8.290 0.398 8.433 1.00 0.00 C ATOM 675 CG TRP A 49 -7.840 0.808 7.064 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.836 2.072 6.547 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.331 -0.049 6.037 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.355 2.053 5.261 1.00 0.00 N ATOM 679 CE2 TRP A 49 -7.037 0.764 4.924 1.00 0.00 C ATOM 680 CE3 TRP A 49 -7.092 -1.423 5.949 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.519 0.245 3.740 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.579 -1.936 4.773 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.295 -1.104 3.682 1.00 0.00 C ATOM 0 H TRP A 49 -10.617 -0.983 6.834 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.011 -0.311 9.508 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.129 1.226 9.124 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.671 -0.430 8.778 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.163 2.957 7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.251 2.867 4.655 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.304 -2.072 6.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.302 0.884 2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.394 -2.997 4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.892 -1.535 2.778 1.00 0.00 H new ATOM 694 N LEU A 50 -10.678 2.180 8.932 1.00 0.00 N ATOM 695 CA LEU A 50 -11.489 3.363 8.668 1.00 0.00 C ATOM 696 C LEU A 50 -10.671 4.637 8.855 1.00 0.00 C ATOM 697 O LEU A 50 -9.697 4.674 9.607 1.00 0.00 O ATOM 698 CB LEU A 50 -12.708 3.387 9.592 1.00 0.00 C ATOM 699 CG LEU A 50 -13.778 2.329 9.318 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.861 2.377 10.384 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.380 2.525 7.934 1.00 0.00 C ATOM 0 H LEU A 50 -10.148 2.218 9.802 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.826 3.318 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.363 3.269 10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.172 4.371 9.523 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.307 1.346 9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.614 1.617 10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.418 2.187 11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.329 3.361 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.139 1.763 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.836 3.513 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.597 2.439 7.181 1.00 0.00 H new ATOM 713 N PRO A 51 -11.075 5.708 8.156 1.00 0.00 N ATOM 714 CA PRO A 51 -10.395 7.005 8.230 1.00 0.00 C ATOM 715 C PRO A 51 -10.594 7.687 9.579 1.00 0.00 C ATOM 716 O PRO A 51 -11.524 7.381 10.326 1.00 0.00 O ATOM 717 CB PRO A 51 -11.059 7.818 7.116 1.00 0.00 C ATOM 718 CG PRO A 51 -12.404 7.201 6.947 1.00 0.00 C ATOM 719 CD PRO A 51 -12.228 5.736 7.240 1.00 0.00 C ATOM 0 HA PRO A 51 -9.315 6.906 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.138 8.871 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.482 7.769 6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.128 7.651 7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.779 7.354 5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.118 5.309 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.034 5.165 6.332 1.00 0.00 H new ATOM 727 N PRO A 52 -9.702 8.636 9.901 1.00 0.00 N ATOM 728 CA PRO A 52 -9.760 9.382 11.161 1.00 0.00 C ATOM 729 C PRO A 52 -10.945 10.341 11.213 1.00 0.00 C ATOM 730 O PRO A 52 -11.515 10.718 10.189 1.00 0.00 O ATOM 731 CB PRO A 52 -8.442 10.160 11.174 1.00 0.00 C ATOM 732 CG PRO A 52 -8.070 10.299 9.738 1.00 0.00 C ATOM 733 CD PRO A 52 -8.568 9.053 9.059 1.00 0.00 C ATOM 0 HA PRO A 52 -9.890 8.723 12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.562 11.134 11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.673 9.626 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.523 11.189 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.991 10.402 9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.880 9.251 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.797 8.284 9.014 1.00 0.00 H new ATOM 741 N PRO A 53 -11.325 10.748 12.433 1.00 0.00 N ATOM 742 CA PRO A 53 -12.445 11.669 12.648 1.00 0.00 C ATOM 743 C PRO A 53 -12.133 13.082 12.167 1.00 0.00 C ATOM 744 O PRO A 53 -11.004 13.555 12.292 1.00 0.00 O ATOM 745 CB PRO A 53 -12.634 11.650 14.166 1.00 0.00 C ATOM 746 CG PRO A 53 -11.300 11.270 14.710 1.00 0.00 C ATOM 747 CD PRO A 53 -10.691 10.339 13.698 1.00 0.00 C ATOM 0 HA PRO A 53 -13.333 11.369 12.091 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.950 12.625 14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.400 10.933 14.460 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.674 12.150 14.858 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.398 10.782 15.680 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.607 10.444 13.657 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.901 9.296 13.934 1.00 0.00 H new ATOM 755 N SER A 54 -13.141 13.751 11.617 1.00 0.00 N ATOM 756 CA SER A 54 -12.973 15.110 11.115 1.00 0.00 C ATOM 757 C SER A 54 -11.979 15.887 11.972 1.00 0.00 C ATOM 758 O SER A 54 -11.122 16.602 11.455 1.00 0.00 O ATOM 759 CB SER A 54 -14.319 15.837 11.088 1.00 0.00 C ATOM 760 OG SER A 54 -14.353 16.812 10.061 1.00 0.00 O ATOM 0 H SER A 54 -14.083 13.374 11.508 1.00 0.00 H new ATOM 0 HA SER A 54 -12.581 15.050 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.122 15.116 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.497 16.314 12.052 1.00 0.00 H new ATOM 0 HG SER A 54 -15.224 17.261 10.064 1.00 0.00 H new ATOM 766 N GLY A 55 -12.102 15.741 13.288 1.00 0.00 N ATOM 767 CA GLY A 55 -11.209 16.435 14.198 1.00 0.00 C ATOM 768 C GLY A 55 -9.800 16.552 13.650 1.00 0.00 C ATOM 769 O GLY A 55 -9.213 17.635 13.649 1.00 0.00 O ATOM 0 H GLY A 55 -12.804 15.155 13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.602 17.432 14.398 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.182 15.906 15.151 1.00 0.00 H new ATOM 773 N THR A 56 -9.253 15.433 13.184 1.00 0.00 N ATOM 774 CA THR A 56 -7.903 15.414 12.635 1.00 0.00 C ATOM 775 C THR A 56 -7.921 15.085 11.146 1.00 0.00 C ATOM 776 O THR A 56 -7.207 14.192 10.691 1.00 0.00 O ATOM 777 CB THR A 56 -7.014 14.389 13.364 1.00 0.00 C ATOM 778 OG1 THR A 56 -5.681 14.440 12.846 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.571 12.982 13.209 1.00 0.00 C ATOM 0 H THR A 56 -9.724 14.529 13.176 1.00 0.00 H new ATOM 0 HA THR A 56 -7.488 16.412 12.780 1.00 0.00 H new ATOM 0 HB THR A 56 -7.001 14.642 14.424 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.697 14.258 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.926 12.276 13.732 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.575 12.939 13.632 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.612 12.721 12.151 1.00 0.00 H new ATOM 787 N GLN A 57 -8.739 15.814 10.394 1.00 0.00 N ATOM 788 CA GLN A 57 -8.849 15.599 8.956 1.00 0.00 C ATOM 789 C GLN A 57 -8.472 16.861 8.187 1.00 0.00 C ATOM 790 O GLN A 57 -9.127 17.222 7.210 1.00 0.00 O ATOM 791 CB GLN A 57 -10.270 15.169 8.590 1.00 0.00 C ATOM 792 CG GLN A 57 -10.553 13.701 8.868 1.00 0.00 C ATOM 793 CD GLN A 57 -11.753 13.182 8.101 1.00 0.00 C ATOM 794 OE1 GLN A 57 -12.724 13.906 7.881 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.690 11.922 7.687 1.00 0.00 N ATOM 0 H GLN A 57 -9.335 16.558 10.756 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.155 14.806 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.980 15.779 9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.440 15.369 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.676 13.110 8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.722 13.564 9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.865 11.358 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.467 11.518 7.164 1.00 0.00 H new ATOM 804 N ASN A 58 -7.413 17.527 8.635 1.00 0.00 N ATOM 805 CA ASN A 58 -6.950 18.750 7.989 1.00 0.00 C ATOM 806 C ASN A 58 -6.578 18.488 6.533 1.00 0.00 C ATOM 807 O ASN A 58 -6.873 19.294 5.651 1.00 0.00 O ATOM 808 CB ASN A 58 -5.747 19.324 8.740 1.00 0.00 C ATOM 809 CG ASN A 58 -4.512 18.454 8.604 1.00 0.00 C ATOM 810 OD1 ASN A 58 -4.568 17.241 8.811 1.00 0.00 O ATOM 811 ND2 ASN A 58 -3.389 19.070 8.255 1.00 0.00 N ATOM 0 H ASN A 58 -6.859 17.241 9.442 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.764 19.475 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.528 20.322 8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.998 19.431 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.526 18.536 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.389 20.077 8.093 1.00 0.00 H new ATOM 818 N GLY A 59 -5.928 17.355 6.288 1.00 0.00 N ATOM 819 CA GLY A 59 -5.526 17.007 4.938 1.00 0.00 C ATOM 820 C GLY A 59 -6.467 16.009 4.292 1.00 0.00 C ATOM 821 O GLY A 59 -6.977 15.106 4.956 1.00 0.00 O ATOM 0 H GLY A 59 -5.672 16.671 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.486 17.911 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.518 16.592 4.958 1.00 0.00 H new ATOM 825 N PHE A 60 -6.698 16.171 2.993 1.00 0.00 N ATOM 826 CA PHE A 60 -7.586 15.278 2.258 1.00 0.00 C ATOM 827 C PHE A 60 -6.945 13.906 2.070 1.00 0.00 C ATOM 828 O PHE A 60 -5.915 13.777 1.407 1.00 0.00 O ATOM 829 CB PHE A 60 -7.937 15.881 0.896 1.00 0.00 C ATOM 830 CG PHE A 60 -8.609 14.911 -0.033 1.00 0.00 C ATOM 831 CD1 PHE A 60 -9.972 14.676 0.057 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.878 14.235 -0.997 1.00 0.00 C ATOM 833 CE1 PHE A 60 -10.593 13.785 -0.798 1.00 0.00 C ATOM 834 CE2 PHE A 60 -8.495 13.343 -1.854 1.00 0.00 C ATOM 835 CZ PHE A 60 -9.854 13.116 -1.753 1.00 0.00 C ATOM 0 H PHE A 60 -6.283 16.912 2.428 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.500 15.155 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.590 16.741 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.026 16.251 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.555 15.195 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.815 14.407 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.656 13.612 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.915 12.824 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.337 12.417 -2.420 1.00 0.00 H new ATOM 845 N ILE A 61 -7.561 12.886 2.658 1.00 0.00 N ATOM 846 CA ILE A 61 -7.051 11.525 2.555 1.00 0.00 C ATOM 847 C ILE A 61 -6.988 11.070 1.101 1.00 0.00 C ATOM 848 O ILE A 61 -7.936 11.258 0.338 1.00 0.00 O ATOM 849 CB ILE A 61 -7.920 10.536 3.354 1.00 0.00 C ATOM 850 CG1 ILE A 61 -8.024 10.978 4.815 1.00 0.00 C ATOM 851 CG2 ILE A 61 -7.346 9.130 3.260 1.00 0.00 C ATOM 852 CD1 ILE A 61 -9.321 10.574 5.478 1.00 0.00 C ATOM 0 H ILE A 61 -8.414 12.977 3.210 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.045 11.533 2.975 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.922 10.528 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.191 10.552 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.922 12.062 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.971 8.443 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.320 8.817 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.335 9.122 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.325 10.920 6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.158 11.021 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.417 9.488 5.459 1.00 0.00 H new ATOM 864 N THR A 62 -5.865 10.467 0.723 1.00 0.00 N ATOM 865 CA THR A 62 -5.678 9.984 -0.640 1.00 0.00 C ATOM 866 C THR A 62 -5.430 8.480 -0.661 1.00 0.00 C ATOM 867 O THR A 62 -5.954 7.767 -1.515 1.00 0.00 O ATOM 868 CB THR A 62 -4.500 10.696 -1.332 1.00 0.00 C ATOM 869 OG1 THR A 62 -3.305 10.529 -0.561 1.00 0.00 O ATOM 870 CG2 THR A 62 -4.793 12.179 -1.508 1.00 0.00 C ATOM 0 H THR A 62 -5.071 10.301 1.342 1.00 0.00 H new ATOM 0 HA THR A 62 -6.597 10.206 -1.183 1.00 0.00 H new ATOM 0 HB THR A 62 -4.362 10.249 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.561 10.983 -1.009 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.947 12.661 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.687 12.303 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.955 12.636 -0.532 1.00 0.00 H new ATOM 878 N GLY A 63 -4.628 8.004 0.287 1.00 0.00 N ATOM 879 CA GLY A 63 -4.326 6.586 0.359 1.00 0.00 C ATOM 880 C GLY A 63 -3.941 6.146 1.758 1.00 0.00 C ATOM 881 O GLY A 63 -4.049 6.918 2.711 1.00 0.00 O ATOM 0 H GLY A 63 -4.182 8.574 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.194 6.015 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.512 6.356 -0.328 1.00 0.00 H new ATOM 885 N TYR A 64 -3.492 4.902 1.882 1.00 0.00 N ATOM 886 CA TYR A 64 -3.094 4.359 3.175 1.00 0.00 C ATOM 887 C TYR A 64 -1.826 3.519 3.046 1.00 0.00 C ATOM 888 O TYR A 64 -1.593 2.878 2.021 1.00 0.00 O ATOM 889 CB TYR A 64 -4.222 3.512 3.766 1.00 0.00 C ATOM 890 CG TYR A 64 -5.428 4.320 4.189 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.209 4.983 3.251 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.786 4.420 5.528 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.311 5.724 3.634 1.00 0.00 C ATOM 894 CE2 TYR A 64 -6.887 5.156 5.920 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.646 5.807 4.969 1.00 0.00 C ATOM 896 OH TYR A 64 -8.743 6.542 5.355 1.00 0.00 O ATOM 0 H TYR A 64 -3.395 4.251 1.103 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.888 5.195 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.532 2.770 3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.841 2.965 4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.951 4.918 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.193 3.913 6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.906 6.235 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.152 5.222 6.965 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.307 6.001 5.946 1.00 0.00 H new ATOM 906 N LYS A 65 -1.010 3.527 4.095 1.00 0.00 N ATOM 907 CA LYS A 65 0.233 2.766 4.103 1.00 0.00 C ATOM 908 C LYS A 65 0.136 1.575 5.051 1.00 0.00 C ATOM 909 O LYS A 65 0.022 1.745 6.266 1.00 0.00 O ATOM 910 CB LYS A 65 1.403 3.664 4.512 1.00 0.00 C ATOM 911 CG LYS A 65 2.764 3.085 4.168 1.00 0.00 C ATOM 912 CD LYS A 65 3.877 4.088 4.421 1.00 0.00 C ATOM 913 CE LYS A 65 3.931 5.148 3.332 1.00 0.00 C ATOM 914 NZ LYS A 65 4.605 4.647 2.103 1.00 0.00 N ATOM 0 H LYS A 65 -1.188 4.053 4.951 1.00 0.00 H new ATOM 0 HA LYS A 65 0.407 2.391 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.295 4.632 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.355 3.843 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.939 2.188 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.777 2.782 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.724 4.566 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.833 3.567 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.918 5.468 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.460 6.025 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.758 5.437 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.521 4.225 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.007 3.928 1.648 1.00 0.00 H new ATOM 928 N ILE A 66 0.185 0.372 4.490 1.00 0.00 N ATOM 929 CA ILE A 66 0.105 -0.846 5.288 1.00 0.00 C ATOM 930 C ILE A 66 1.484 -1.467 5.482 1.00 0.00 C ATOM 931 O ILE A 66 2.225 -1.672 4.520 1.00 0.00 O ATOM 932 CB ILE A 66 -0.827 -1.885 4.636 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.204 -1.272 4.372 1.00 0.00 C ATOM 934 CG2 ILE A 66 -0.950 -3.115 5.523 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.925 -1.893 3.196 1.00 0.00 C ATOM 0 H ILE A 66 0.280 0.214 3.487 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.303 -0.562 6.258 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.397 -2.190 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.819 -1.382 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.089 -0.203 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.612 -3.840 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.034 -3.561 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.361 -2.826 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.894 -1.410 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.330 -1.760 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.072 -2.957 3.380 1.00 0.00 H new ATOM 947 N ARG A 67 1.821 -1.767 6.732 1.00 0.00 N ATOM 948 CA ARG A 67 3.111 -2.366 7.052 1.00 0.00 C ATOM 949 C ARG A 67 2.929 -3.737 7.697 1.00 0.00 C ATOM 950 O ARG A 67 2.416 -3.847 8.811 1.00 0.00 O ATOM 951 CB ARG A 67 3.904 -1.452 7.988 1.00 0.00 C ATOM 952 CG ARG A 67 4.642 -0.336 7.267 1.00 0.00 C ATOM 953 CD ARG A 67 6.048 -0.763 6.872 1.00 0.00 C ATOM 954 NE ARG A 67 6.773 0.306 6.191 1.00 0.00 N ATOM 955 CZ ARG A 67 8.098 0.393 6.162 1.00 0.00 C ATOM 956 NH1 ARG A 67 8.839 -0.522 6.773 1.00 0.00 N ATOM 957 NH2 ARG A 67 8.685 1.395 5.522 1.00 0.00 N ATOM 0 H ARG A 67 1.219 -1.605 7.539 1.00 0.00 H new ATOM 0 HA ARG A 67 3.665 -2.491 6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.223 -1.014 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.624 -2.052 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.085 -0.046 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.694 0.542 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.599 -1.065 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.993 -1.635 6.221 1.00 0.00 H new ATOM 0 HE ARG A 67 6.232 1.025 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.391 -1.294 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.856 -0.453 6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.119 2.101 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.703 1.460 5.501 1.00 0.00 H new ATOM 971 N HIS A 68 3.352 -4.780 6.989 1.00 0.00 N ATOM 972 CA HIS A 68 3.235 -6.144 7.493 1.00 0.00 C ATOM 973 C HIS A 68 4.612 -6.740 7.770 1.00 0.00 C ATOM 974 O HIS A 68 5.438 -6.867 6.866 1.00 0.00 O ATOM 975 CB HIS A 68 2.481 -7.017 6.490 1.00 0.00 C ATOM 976 CG HIS A 68 2.941 -6.840 5.076 1.00 0.00 C ATOM 977 ND1 HIS A 68 4.159 -7.297 4.618 1.00 0.00 N ATOM 978 CD2 HIS A 68 2.339 -6.252 4.016 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.286 -6.997 3.338 1.00 0.00 C ATOM 980 NE2 HIS A 68 3.195 -6.363 2.948 1.00 0.00 N ATOM 0 H HIS A 68 3.778 -4.707 6.065 1.00 0.00 H new ATOM 0 HA HIS A 68 2.677 -6.114 8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.597 -8.063 6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.417 -6.787 6.549 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.853 -7.790 5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.366 -5.783 4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.137 -7.230 2.716 1.00 0.00 H new ATOM 989 N ARG A 69 4.852 -7.103 9.026 1.00 0.00 N ATOM 990 CA ARG A 69 6.129 -7.684 9.422 1.00 0.00 C ATOM 991 C ARG A 69 5.931 -9.071 10.027 1.00 0.00 C ATOM 992 O ARG A 69 4.901 -9.351 10.640 1.00 0.00 O ATOM 993 CB ARG A 69 6.838 -6.774 10.427 1.00 0.00 C ATOM 994 CG ARG A 69 7.693 -7.526 11.433 1.00 0.00 C ATOM 995 CD ARG A 69 8.828 -6.660 11.957 1.00 0.00 C ATOM 996 NE ARG A 69 9.701 -7.395 12.869 1.00 0.00 N ATOM 997 CZ ARG A 69 10.943 -7.022 13.158 1.00 0.00 C ATOM 998 NH1 ARG A 69 11.455 -5.929 12.610 1.00 0.00 N ATOM 999 NH2 ARG A 69 11.675 -7.743 13.997 1.00 0.00 N ATOM 0 H ARG A 69 4.179 -7.005 9.786 1.00 0.00 H new ATOM 0 HA ARG A 69 6.748 -7.780 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.467 -6.068 9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.091 -6.188 10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.072 -7.856 12.265 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.103 -8.422 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.414 -6.284 11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.414 -5.792 12.471 1.00 0.00 H new ATOM 0 HE ARG A 69 9.337 -8.241 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.895 -5.372 11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.409 -5.645 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.284 -8.585 14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.628 -7.456 14.218 1.00 0.00 H new ATOM 1013 N LYS A 70 6.925 -9.935 9.850 1.00 0.00 N ATOM 1014 CA LYS A 70 6.862 -11.292 10.378 1.00 0.00 C ATOM 1015 C LYS A 70 7.809 -11.460 11.562 1.00 0.00 C ATOM 1016 O LYS A 70 8.846 -10.799 11.640 1.00 0.00 O ATOM 1017 CB LYS A 70 7.212 -12.304 9.284 1.00 0.00 C ATOM 1018 CG LYS A 70 6.949 -13.746 9.683 1.00 0.00 C ATOM 1019 CD LYS A 70 5.468 -14.002 9.905 1.00 0.00 C ATOM 1020 CE LYS A 70 5.191 -15.473 10.175 1.00 0.00 C ATOM 1021 NZ LYS A 70 5.548 -15.858 11.568 1.00 0.00 N ATOM 0 H LYS A 70 7.784 -9.719 9.345 1.00 0.00 H new ATOM 0 HA LYS A 70 5.844 -11.474 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.635 -12.073 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.264 -12.194 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.322 -14.413 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.500 -13.979 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.116 -13.404 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.907 -13.680 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.136 -15.682 10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.758 -16.084 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.457 -16.888 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.529 -15.574 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.908 -15.381 12.235 1.00 0.00 H new ATOM 1133 N MET A 77 8.223 -5.425 5.517 1.00 0.00 N ATOM 1134 CA MET A 77 7.993 -4.980 4.148 1.00 0.00 C ATOM 1135 C MET A 77 6.870 -3.949 4.092 1.00 0.00 C ATOM 1136 O MET A 77 5.904 -4.031 4.849 1.00 0.00 O ATOM 1137 CB MET A 77 7.651 -6.173 3.252 1.00 0.00 C ATOM 1138 CG MET A 77 8.870 -6.831 2.626 1.00 0.00 C ATOM 1139 SD MET A 77 8.469 -7.748 1.125 1.00 0.00 S ATOM 1140 CE MET A 77 8.772 -6.501 -0.124 1.00 0.00 C ATOM 0 HA MET A 77 8.909 -4.513 3.786 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.109 -6.914 3.839 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.980 -5.841 2.460 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.612 -6.067 2.393 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.325 -7.507 3.350 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.568 -6.917 -1.111 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.120 -5.645 0.051 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.813 -6.181 -0.074 1.00 0.00 H new ATOM 1150 N GLU A 78 7.006 -2.981 3.191 1.00 0.00 N ATOM 1151 CA GLU A 78 6.003 -1.934 3.039 1.00 0.00 C ATOM 1152 C GLU A 78 5.045 -2.261 1.896 1.00 0.00 C ATOM 1153 O GLU A 78 5.452 -2.788 0.861 1.00 0.00 O ATOM 1154 CB GLU A 78 6.677 -0.584 2.784 1.00 0.00 C ATOM 1155 CG GLU A 78 5.737 0.468 2.218 1.00 0.00 C ATOM 1156 CD GLU A 78 6.186 1.881 2.535 1.00 0.00 C ATOM 1157 OE1 GLU A 78 6.427 2.175 3.724 1.00 0.00 O ATOM 1158 OE2 GLU A 78 6.296 2.693 1.592 1.00 0.00 O ATOM 0 H GLU A 78 7.800 -2.900 2.556 1.00 0.00 H new ATOM 0 HA GLU A 78 5.431 -1.877 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.100 -0.216 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.508 -0.727 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.669 0.346 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.736 0.310 2.620 1.00 0.00 H new ATOM 1165 N THR A 79 3.769 -1.943 2.093 1.00 0.00 N ATOM 1166 CA THR A 79 2.752 -2.204 1.081 1.00 0.00 C ATOM 1167 C THR A 79 1.533 -1.312 1.285 1.00 0.00 C ATOM 1168 O THR A 79 1.090 -1.097 2.415 1.00 0.00 O ATOM 1169 CB THR A 79 2.306 -3.678 1.101 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.446 -4.537 0.997 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.342 -3.966 -0.041 1.00 0.00 C ATOM 0 H THR A 79 3.415 -1.505 2.943 1.00 0.00 H new ATOM 0 HA THR A 79 3.203 -1.982 0.114 1.00 0.00 H new ATOM 0 HB THR A 79 1.795 -3.867 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.473 -5.140 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.040 -5.013 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.461 -3.331 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.833 -3.760 -0.992 1.00 0.00 H new ATOM 1179 N LEU A 80 0.993 -0.796 0.187 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.178 0.073 0.245 1.00 0.00 C ATOM 1181 C LEU A 80 -1.164 -0.267 -0.868 1.00 0.00 C ATOM 1182 O LEU A 80 -0.771 -0.734 -1.936 1.00 0.00 O ATOM 1183 CB LEU A 80 0.245 1.539 0.138 1.00 0.00 C ATOM 1184 CG LEU A 80 1.118 1.900 -1.064 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.254 2.233 -2.270 1.00 0.00 C ATOM 1186 CD2 LEU A 80 2.037 3.065 -0.725 1.00 0.00 C ATOM 0 H LEU A 80 1.347 -0.964 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.672 -0.087 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.654 2.154 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.784 1.808 1.047 1.00 0.00 H new ATOM 0 HG LEU A 80 1.736 1.037 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.893 2.487 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.361 1.370 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.390 3.080 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.651 3.308 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.438 3.933 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.681 2.789 0.110 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.445 -0.026 -0.610 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.487 -0.305 -1.592 1.00 0.00 C ATOM 1200 C GLU A 81 -4.463 0.863 -1.696 1.00 0.00 C ATOM 1201 O GLU A 81 -5.346 1.044 -0.857 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.242 -1.583 -1.218 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.566 -1.742 -1.945 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.950 -3.195 -2.147 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -5.048 -4.013 -2.424 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -7.151 -3.514 -2.029 1.00 0.00 O ATOM 0 H GLU A 81 -2.787 0.361 0.270 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.009 -0.444 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.611 -2.445 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.424 -1.586 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.350 -1.238 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.505 -1.248 -2.915 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.302 1.675 -2.751 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.159 2.840 -2.992 1.00 0.00 C ATOM 1215 C PRO A 82 -6.576 2.445 -3.389 1.00 0.00 C ATOM 1216 O PRO A 82 -7.534 3.164 -3.108 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.461 3.561 -4.147 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.696 2.495 -4.853 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.271 1.519 -3.791 1.00 0.00 C ATOM 0 HA PRO A 82 -5.275 3.452 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.183 4.036 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.800 4.347 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.313 2.007 -5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.831 2.912 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.237 0.499 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.277 1.749 -3.409 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.704 1.295 -4.045 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.006 0.804 -4.481 1.00 0.00 C ATOM 1229 C ASN A 83 -9.077 1.101 -3.436 1.00 0.00 C ATOM 1230 O ASN A 83 -10.003 1.872 -3.684 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.942 -0.701 -4.750 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.866 -1.064 -5.754 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.897 -1.749 -5.422 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -7.030 -0.606 -6.989 1.00 0.00 N ATOM 0 H ASN A 83 -5.922 0.686 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.272 1.320 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.754 -1.227 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.909 -1.043 -5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.338 -0.818 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.848 -0.042 -7.219 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.943 0.483 -2.267 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.900 0.681 -1.184 1.00 0.00 C ATOM 1243 C ASN A 84 -9.217 0.552 0.174 1.00 0.00 C ATOM 1244 O ASN A 84 -8.011 0.316 0.256 1.00 0.00 O ATOM 1245 CB ASN A 84 -11.041 -0.332 -1.292 1.00 0.00 C ATOM 1246 CG ASN A 84 -12.086 0.081 -2.310 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.570 1.213 -2.295 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -12.440 -0.838 -3.201 1.00 0.00 N ATOM 0 H ASN A 84 -8.182 -0.159 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.308 1.688 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.634 -1.305 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.514 -0.448 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.139 -0.618 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.013 -1.764 -3.176 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.997 0.708 1.239 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.469 0.609 2.595 1.00 0.00 C ATOM 1257 C LEU A 85 -9.396 -0.846 3.046 1.00 0.00 C ATOM 1258 O LEU A 85 -9.703 -1.167 4.194 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.340 1.412 3.563 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.615 2.864 3.171 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -11.684 3.466 4.070 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.336 3.685 3.237 1.00 0.00 C ATOM 0 H LEU A 85 -10.997 0.903 1.189 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.460 1.022 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.295 0.899 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.861 1.405 4.542 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.981 2.880 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.867 4.500 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.606 2.893 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.346 3.437 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.550 4.716 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.941 3.661 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.599 3.267 2.551 1.00 0.00 H new ATOM 1274 N TRP A 86 -8.985 -1.722 2.136 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.870 -3.144 2.441 1.00 0.00 C ATOM 1276 C TRP A 86 -7.813 -3.805 1.563 1.00 0.00 C ATOM 1277 O TRP A 86 -7.671 -3.468 0.387 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.219 -3.839 2.248 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.702 -3.815 0.830 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.661 -2.996 0.305 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.251 -4.647 -0.244 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.833 -3.270 -1.031 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -10.979 -4.278 -1.392 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.301 -5.667 -0.348 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.787 -4.895 -2.625 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.111 -6.278 -1.573 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -9.851 -5.890 -2.698 1.00 0.00 C ATOM 0 H TRP A 86 -8.726 -1.473 1.181 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.564 -3.243 3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.137 -4.874 2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.961 -3.359 2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.204 -2.244 0.858 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.490 -2.799 -1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -8.726 -5.972 0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.357 -4.599 -3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.380 -7.068 -1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -9.679 -6.386 -3.642 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.075 -4.746 2.140 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.030 -5.453 1.409 1.00 0.00 C ATOM 1300 C TYR A 87 -6.117 -6.956 1.652 1.00 0.00 C ATOM 1301 O TYR A 87 -5.971 -7.425 2.782 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.651 -4.937 1.824 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.558 -5.266 0.833 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.214 -6.585 0.561 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.869 -4.260 0.168 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.215 -6.891 -0.343 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -1.870 -4.556 -0.739 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.547 -5.873 -0.991 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.551 -6.173 -1.893 1.00 0.00 O ATOM 0 H TYR A 87 -7.181 -5.037 3.112 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.176 -5.266 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.700 -3.856 1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.390 -5.361 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.737 -7.384 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.119 -3.228 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.959 -7.921 -0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.345 -3.761 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.182 -5.343 -2.261 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.355 -7.709 0.583 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.461 -9.161 0.678 1.00 0.00 C ATOM 1321 C LEU A 88 -5.130 -9.826 0.347 1.00 0.00 C ATOM 1322 O LEU A 88 -4.617 -9.696 -0.764 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.550 -9.675 -0.266 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.097 -11.070 0.037 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -7.108 -12.138 -0.403 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.411 -11.209 1.519 1.00 0.00 C ATOM 0 H LEU A 88 -6.478 -7.338 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.728 -9.415 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.381 -8.969 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.153 -9.675 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.021 -11.207 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.514 -13.124 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.933 -12.052 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.167 -12.004 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.799 -12.208 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.502 -11.052 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.157 -10.467 1.804 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.575 -10.543 1.320 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.303 -11.231 1.132 1.00 0.00 C ATOM 1340 C PHE A 89 -3.520 -12.725 0.910 1.00 0.00 C ATOM 1341 O PHE A 89 -4.476 -13.308 1.423 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.396 -11.010 2.344 1.00 0.00 C ATOM 1343 CG PHE A 89 -2.052 -9.568 2.582 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.945 -8.996 1.976 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.837 -8.783 3.412 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.626 -7.669 2.192 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -2.523 -7.455 3.631 1.00 0.00 C ATOM 1348 CZ PHE A 89 -1.416 -6.897 3.022 1.00 0.00 C ATOM 0 H PHE A 89 -4.986 -10.662 2.246 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.822 -10.817 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.886 -11.409 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.475 -11.577 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.324 -9.595 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.703 -9.214 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.240 -7.236 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.143 -6.853 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.169 -5.860 3.194 1.00 0.00 H new ATOM 1358 N THR A 90 -2.626 -13.339 0.141 1.00 0.00 N ATOM 1359 CA THR A 90 -2.720 -14.764 -0.151 1.00 0.00 C ATOM 1360 C THR A 90 -1.340 -15.409 -0.187 1.00 0.00 C ATOM 1361 O THR A 90 -0.343 -14.752 -0.483 1.00 0.00 O ATOM 1362 CB THR A 90 -3.427 -15.016 -1.496 1.00 0.00 C ATOM 1363 OG1 THR A 90 -2.675 -14.428 -2.563 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.835 -14.439 -1.484 1.00 0.00 C ATOM 0 H THR A 90 -1.829 -12.872 -0.291 1.00 0.00 H new ATOM 0 HA THR A 90 -3.308 -15.213 0.650 1.00 0.00 H new ATOM 0 HB THR A 90 -3.494 -16.093 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.131 -14.594 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.314 -14.629 -2.444 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.414 -14.910 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.786 -13.364 -1.309 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.288 -16.703 0.117 1.00 0.00 N ATOM 1373 CA GLY A 91 -0.025 -17.416 0.113 1.00 0.00 C ATOM 1374 C GLY A 91 0.822 -17.102 1.330 1.00 0.00 C ATOM 1375 O GLY A 91 1.903 -16.523 1.211 1.00 0.00 O ATOM 0 H GLY A 91 -2.099 -17.270 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.217 -18.488 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.531 -17.159 -0.789 1.00 0.00 H new ATOM 1379 N LEU A 92 0.332 -17.483 2.504 1.00 0.00 N ATOM 1380 CA LEU A 92 1.050 -17.237 3.750 1.00 0.00 C ATOM 1381 C LEU A 92 1.275 -18.538 4.515 1.00 0.00 C ATOM 1382 O LEU A 92 0.537 -19.506 4.341 1.00 0.00 O ATOM 1383 CB LEU A 92 0.276 -16.247 4.621 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.074 -14.909 3.969 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.027 -14.118 4.851 1.00 0.00 C ATOM 1386 CD2 LEU A 92 1.188 -14.106 3.689 1.00 0.00 C ATOM 0 H LEU A 92 -0.560 -17.964 2.620 1.00 0.00 H new ATOM 0 HA LEU A 92 2.022 -16.810 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.649 -16.724 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.862 -16.049 5.519 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.572 -15.108 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.265 -13.169 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.944 -14.689 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.557 -13.928 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.920 -13.157 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.714 -13.917 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.835 -14.669 3.016 1.00 0.00 H new ATOM 1398 N GLU A 93 2.299 -18.550 5.362 1.00 0.00 N ATOM 1399 CA GLU A 93 2.620 -19.731 6.155 1.00 0.00 C ATOM 1400 C GLU A 93 1.494 -20.052 7.133 1.00 0.00 C ATOM 1401 O GLU A 93 0.986 -19.169 7.825 1.00 0.00 O ATOM 1402 CB GLU A 93 3.929 -19.521 6.918 1.00 0.00 C ATOM 1403 CG GLU A 93 5.153 -19.456 6.020 1.00 0.00 C ATOM 1404 CD GLU A 93 6.434 -19.221 6.797 1.00 0.00 C ATOM 1405 OE1 GLU A 93 6.588 -19.817 7.883 1.00 0.00 O ATOM 1406 OE2 GLU A 93 7.283 -18.440 6.317 1.00 0.00 O ATOM 0 H GLU A 93 2.920 -17.756 5.517 1.00 0.00 H new ATOM 0 HA GLU A 93 2.737 -20.573 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.861 -18.597 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.057 -20.333 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.238 -20.387 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.022 -18.656 5.291 1.00 0.00 H new ATOM 1413 N LYS A 94 1.107 -21.322 7.185 1.00 0.00 N ATOM 1414 CA LYS A 94 0.042 -21.763 8.078 1.00 0.00 C ATOM 1415 C LYS A 94 0.558 -21.918 9.505 1.00 0.00 C ATOM 1416 O LYS A 94 1.702 -22.315 9.722 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.546 -23.088 7.590 1.00 0.00 C ATOM 1418 CG LYS A 94 0.369 -24.279 7.815 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.405 -25.587 7.804 1.00 0.00 C ATOM 1420 CE LYS A 94 0.517 -26.778 7.591 1.00 0.00 C ATOM 1421 NZ LYS A 94 1.395 -27.018 8.770 1.00 0.00 N ATOM 0 H LYS A 94 1.516 -22.065 6.618 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.739 -21.003 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.492 -23.266 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.768 -23.007 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.135 -24.302 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.884 -24.168 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.939 -25.703 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.155 -25.560 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.080 -27.669 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.133 -26.607 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.008 -27.838 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.983 -26.178 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.808 -27.207 9.607 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.295 -21.604 10.476 1.00 0.00 N ATOM 1436 CA GLY A 95 0.093 -21.717 11.870 1.00 0.00 C ATOM 1437 C GLY A 95 1.261 -20.818 12.221 1.00 0.00 C ATOM 1438 O GLY A 95 2.248 -21.269 12.803 1.00 0.00 O ATOM 0 H GLY A 95 -1.248 -21.273 10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.758 -21.465 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.357 -22.752 12.088 1.00 0.00 H new ATOM 1442 N SER A 96 1.152 -19.542 11.865 1.00 0.00 N ATOM 1443 CA SER A 96 2.210 -18.578 12.141 1.00 0.00 C ATOM 1444 C SER A 96 1.625 -17.242 12.588 1.00 0.00 C ATOM 1445 O SER A 96 0.455 -16.952 12.341 1.00 0.00 O ATOM 1446 CB SER A 96 3.082 -18.376 10.900 1.00 0.00 C ATOM 1447 OG SER A 96 4.083 -19.375 10.812 1.00 0.00 O ATOM 0 H SER A 96 0.341 -19.152 11.385 1.00 0.00 H new ATOM 0 HA SER A 96 2.826 -18.974 12.949 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.459 -18.401 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.548 -17.392 10.936 1.00 0.00 H new ATOM 0 HG SER A 96 4.626 -19.225 10.010 1.00 0.00 H new ATOM 1453 N GLN A 97 2.448 -16.433 13.248 1.00 0.00 N ATOM 1454 CA GLN A 97 2.012 -15.128 13.731 1.00 0.00 C ATOM 1455 C GLN A 97 2.461 -14.020 12.784 1.00 0.00 C ATOM 1456 O GLN A 97 3.613 -13.988 12.352 1.00 0.00 O ATOM 1457 CB GLN A 97 2.563 -14.870 15.135 1.00 0.00 C ATOM 1458 CG GLN A 97 2.105 -13.551 15.735 1.00 0.00 C ATOM 1459 CD GLN A 97 2.550 -13.379 17.174 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.287 -12.448 17.501 1.00 0.00 O ATOM 1461 NE2 GLN A 97 2.103 -14.277 18.043 1.00 0.00 N ATOM 0 H GLN A 97 3.420 -16.658 13.460 1.00 0.00 H new ATOM 0 HA GLN A 97 0.923 -15.128 13.771 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.257 -15.684 15.792 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.652 -14.884 15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.497 -12.728 15.137 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.018 -13.492 15.685 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.494 -15.032 17.728 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.368 -14.212 19.026 1.00 0.00 H new ATOM 1470 N TYR A 98 1.543 -13.114 12.466 1.00 0.00 N ATOM 1471 CA TYR A 98 1.843 -12.005 11.567 1.00 0.00 C ATOM 1472 C TYR A 98 1.463 -10.671 12.202 1.00 0.00 C ATOM 1473 O TYR A 98 0.552 -10.602 13.028 1.00 0.00 O ATOM 1474 CB TYR A 98 1.103 -12.182 10.241 1.00 0.00 C ATOM 1475 CG TYR A 98 1.826 -13.074 9.257 1.00 0.00 C ATOM 1476 CD1 TYR A 98 1.745 -14.458 9.355 1.00 0.00 C ATOM 1477 CD2 TYR A 98 2.592 -12.533 8.231 1.00 0.00 C ATOM 1478 CE1 TYR A 98 2.405 -15.277 8.459 1.00 0.00 C ATOM 1479 CE2 TYR A 98 3.254 -13.345 7.330 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.157 -14.716 7.448 1.00 0.00 C ATOM 1481 OH TYR A 98 3.816 -15.527 6.554 1.00 0.00 O ATOM 0 H TYR A 98 0.585 -13.125 12.817 1.00 0.00 H new ATOM 0 HA TYR A 98 2.917 -12.003 11.378 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.116 -12.599 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.950 -11.203 9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.156 -14.901 10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.671 -11.460 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.332 -16.351 8.550 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.844 -12.909 6.538 1.00 0.00 H new ATOM 0 HH TYR A 98 4.299 -14.974 5.905 1.00 0.00 H new ATOM 1491 N SER A 99 2.166 -9.614 11.809 1.00 0.00 N ATOM 1492 CA SER A 99 1.905 -8.282 12.341 1.00 0.00 C ATOM 1493 C SER A 99 1.482 -7.326 11.229 1.00 0.00 C ATOM 1494 O SER A 99 2.040 -7.347 10.131 1.00 0.00 O ATOM 1495 CB SER A 99 3.148 -7.740 13.049 1.00 0.00 C ATOM 1496 OG SER A 99 3.541 -8.591 14.112 1.00 0.00 O ATOM 0 H SER A 99 2.921 -9.654 11.124 1.00 0.00 H new ATOM 0 HA SER A 99 1.090 -8.358 13.061 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.965 -7.645 12.334 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.944 -6.741 13.435 1.00 0.00 H new ATOM 0 HG SER A 99 4.338 -8.224 14.547 1.00 0.00 H new ATOM 1502 N PHE A 100 0.493 -6.489 11.522 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.007 -5.526 10.548 1.00 0.00 C ATOM 1504 C PHE A 100 -0.192 -4.152 11.186 1.00 0.00 C ATOM 1505 O PHE A 100 -0.221 -4.025 12.410 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.333 -6.008 9.956 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.212 -7.285 9.175 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.241 -8.512 9.819 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.068 -7.260 7.797 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.130 -9.689 9.103 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -0.957 -8.434 7.076 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.987 -9.650 7.730 1.00 0.00 C ATOM 0 H PHE A 100 0.022 -6.458 12.426 1.00 0.00 H new ATOM 0 HA PHE A 100 0.730 -5.440 9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.051 -6.152 10.763 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.735 -5.231 9.306 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.352 -8.549 10.893 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.042 -6.312 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.155 -10.639 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.847 -8.400 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.899 -10.569 7.169 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.315 -3.128 10.348 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.495 -1.764 10.830 1.00 0.00 C ATOM 1524 C GLN A 101 -1.098 -0.878 9.745 1.00 0.00 C ATOM 1525 O GLN A 101 -0.741 -0.986 8.572 1.00 0.00 O ATOM 1526 CB GLN A 101 0.842 -1.184 11.295 1.00 0.00 C ATOM 1527 CG GLN A 101 0.705 -0.147 12.398 1.00 0.00 C ATOM 1528 CD GLN A 101 1.815 0.885 12.370 1.00 0.00 C ATOM 1529 OE1 GLN A 101 1.776 1.835 11.587 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.814 0.704 13.226 1.00 0.00 N ATOM 0 H GLN A 101 -0.293 -3.217 9.332 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.184 -1.792 11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.478 -1.996 11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.348 -0.731 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.257 0.357 12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.705 -0.649 13.365 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.806 -0.097 13.857 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.589 1.366 13.252 1.00 0.00 H new ATOM 1539 N VAL A 102 -2.014 -0.002 10.145 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.666 0.904 9.206 1.00 0.00 C ATOM 1541 C VAL A 102 -2.309 2.355 9.505 1.00 0.00 C ATOM 1542 O VAL A 102 -2.176 2.747 10.664 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.198 0.745 9.246 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.867 1.804 8.382 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.600 -0.652 8.798 1.00 0.00 C ATOM 0 H VAL A 102 -2.321 0.100 11.112 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.306 0.642 8.211 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.534 0.883 10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.949 1.676 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.605 2.795 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.528 1.700 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.685 -0.747 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.253 -0.821 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.150 -1.390 9.462 1.00 0.00 H new ATOM 1555 N SER A 103 -2.154 3.150 8.451 1.00 0.00 N ATOM 1556 CA SER A 103 -1.808 4.559 8.599 1.00 0.00 C ATOM 1557 C SER A 103 -2.569 5.414 7.590 1.00 0.00 C ATOM 1558 O SER A 103 -2.635 5.085 6.406 1.00 0.00 O ATOM 1559 CB SER A 103 -0.302 4.758 8.421 1.00 0.00 C ATOM 1560 OG SER A 103 0.421 4.152 9.479 1.00 0.00 O ATOM 0 H SER A 103 -2.263 2.842 7.485 1.00 0.00 H new ATOM 0 HA SER A 103 -2.092 4.874 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.014 4.332 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.075 5.823 8.384 1.00 0.00 H new ATOM 0 HG SER A 103 1.381 4.292 9.341 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.140 6.514 8.069 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.894 7.419 7.209 1.00 0.00 C ATOM 1568 C ALA A 104 -2.983 8.471 6.586 1.00 0.00 C ATOM 1569 O ALA A 104 -2.436 9.323 7.284 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.012 8.086 7.997 1.00 0.00 C ATOM 0 H ALA A 104 -3.095 6.800 9.047 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.333 6.832 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.567 8.759 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.685 7.324 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.586 8.654 8.824 1.00 0.00 H new ATOM 1576 N MET A 105 -2.825 8.404 5.268 1.00 0.00 N ATOM 1577 CA MET A 105 -1.980 9.352 4.551 1.00 0.00 C ATOM 1578 C MET A 105 -2.794 10.548 4.067 1.00 0.00 C ATOM 1579 O MET A 105 -3.890 10.389 3.529 1.00 0.00 O ATOM 1580 CB MET A 105 -1.303 8.666 3.363 1.00 0.00 C ATOM 1581 CG MET A 105 -0.226 7.672 3.767 1.00 0.00 C ATOM 1582 SD MET A 105 0.718 7.060 2.359 1.00 0.00 S ATOM 1583 CE MET A 105 -0.336 5.724 1.799 1.00 0.00 C ATOM 0 H MET A 105 -3.271 7.704 4.675 1.00 0.00 H new ATOM 0 HA MET A 105 -1.214 9.711 5.239 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.060 8.149 2.773 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.861 9.426 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.453 8.146 4.476 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.689 6.830 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.138 4.768 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.298 5.781 2.309 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.490 5.809 0.723 1.00 0.00 H new ATOM 1593 N THR A 106 -2.251 11.745 4.263 1.00 0.00 N ATOM 1594 CA THR A 106 -2.928 12.968 3.847 1.00 0.00 C ATOM 1595 C THR A 106 -2.051 13.790 2.910 1.00 0.00 C ATOM 1596 O THR A 106 -0.843 13.572 2.823 1.00 0.00 O ATOM 1597 CB THR A 106 -3.316 13.834 5.060 1.00 0.00 C ATOM 1598 OG1 THR A 106 -2.164 14.083 5.874 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.392 13.151 5.891 1.00 0.00 C ATOM 0 H THR A 106 -1.345 11.894 4.707 1.00 0.00 H new ATOM 0 HA THR A 106 -3.833 12.666 3.321 1.00 0.00 H new ATOM 0 HB THR A 106 -3.710 14.781 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.426 13.508 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.650 13.782 6.742 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.278 12.990 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.020 12.191 6.250 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.667 14.737 2.209 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.942 15.594 1.279 1.00 0.00 C ATOM 1609 C VAL A 107 -0.625 16.068 1.881 1.00 0.00 C ATOM 1610 O VAL A 107 0.382 16.184 1.184 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.781 16.821 0.875 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -3.244 17.580 2.109 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.986 17.728 -0.052 1.00 0.00 C ATOM 0 H VAL A 107 -3.667 14.930 2.268 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.737 14.995 0.391 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.664 16.475 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.835 18.444 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.853 16.925 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.376 17.916 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.594 18.590 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.084 18.068 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.709 17.177 -0.951 1.00 0.00 H new ATOM 1623 N ASN A 108 -0.640 16.341 3.182 1.00 0.00 N ATOM 1624 CA ASN A 108 0.555 16.804 3.879 1.00 0.00 C ATOM 1625 C ASN A 108 1.589 15.687 3.987 1.00 0.00 C ATOM 1626 O ASN A 108 2.767 15.889 3.697 1.00 0.00 O ATOM 1627 CB ASN A 108 0.190 17.313 5.276 1.00 0.00 C ATOM 1628 CG ASN A 108 -1.054 18.179 5.269 1.00 0.00 C ATOM 1629 OD1 ASN A 108 -2.148 17.717 5.593 1.00 0.00 O ATOM 1630 ND2 ASN A 108 -0.892 19.444 4.897 1.00 0.00 N ATOM 0 H ASN A 108 -1.465 16.250 3.774 1.00 0.00 H new ATOM 0 HA ASN A 108 0.988 17.621 3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.034 16.463 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.025 17.885 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.693 20.075 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.034 19.784 4.637 1.00 0.00 H new ATOM 1637 N GLY A 109 1.138 14.509 4.405 1.00 0.00 N ATOM 1638 CA GLY A 109 2.036 13.377 4.543 1.00 0.00 C ATOM 1639 C GLY A 109 1.409 12.229 5.308 1.00 0.00 C ATOM 1640 O GLY A 109 0.255 12.310 5.729 1.00 0.00 O ATOM 0 H GLY A 109 0.167 14.318 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.333 13.030 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.944 13.698 5.054 1.00 0.00 H new ATOM 1644 N THR A 110 2.170 11.154 5.488 1.00 0.00 N ATOM 1645 CA THR A 110 1.682 9.983 6.205 1.00 0.00 C ATOM 1646 C THR A 110 1.398 10.311 7.666 1.00 0.00 C ATOM 1647 O THR A 110 2.210 10.944 8.339 1.00 0.00 O ATOM 1648 CB THR A 110 2.692 8.822 6.139 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.203 8.692 4.807 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.043 7.515 6.568 1.00 0.00 C ATOM 0 H THR A 110 3.128 11.070 5.147 1.00 0.00 H new ATOM 0 HA THR A 110 0.756 9.678 5.717 1.00 0.00 H new ATOM 0 HB THR A 110 3.512 9.044 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.846 7.953 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.776 6.710 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.681 7.607 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.206 7.290 5.907 1.00 0.00 H new ATOM 1658 N GLY A 111 0.239 9.876 8.151 1.00 0.00 N ATOM 1659 CA GLY A 111 -0.132 10.134 9.530 1.00 0.00 C ATOM 1660 C GLY A 111 0.590 9.223 10.504 1.00 0.00 C ATOM 1661 O GLY A 111 1.520 8.503 10.141 1.00 0.00 O ATOM 0 H GLY A 111 -0.450 9.349 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.091 11.172 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.208 10.003 9.644 1.00 0.00 H new ATOM 1665 N PRO A 112 0.159 9.248 11.774 1.00 0.00 N ATOM 1666 CA PRO A 112 0.757 8.425 12.829 1.00 0.00 C ATOM 1667 C PRO A 112 0.450 6.942 12.652 1.00 0.00 C ATOM 1668 O PRO A 112 -0.661 6.552 12.292 1.00 0.00 O ATOM 1669 CB PRO A 112 0.104 8.958 14.107 1.00 0.00 C ATOM 1670 CG PRO A 112 -1.192 9.537 13.657 1.00 0.00 C ATOM 1671 CD PRO A 112 -0.945 10.082 12.278 1.00 0.00 C ATOM 0 HA PRO A 112 1.845 8.491 12.830 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.050 8.161 14.835 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.729 9.711 14.586 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.974 8.778 13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.524 10.324 14.334 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.831 9.999 11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.671 11.137 12.306 1.00 0.00 H new ATOM 1679 N PRO A 113 1.457 6.094 12.910 1.00 0.00 N ATOM 1680 CA PRO A 113 1.317 4.640 12.787 1.00 0.00 C ATOM 1681 C PRO A 113 0.414 4.050 13.864 1.00 0.00 C ATOM 1682 O PRO A 113 0.746 4.077 15.049 1.00 0.00 O ATOM 1683 CB PRO A 113 2.751 4.131 12.954 1.00 0.00 C ATOM 1684 CG PRO A 113 3.437 5.186 13.752 1.00 0.00 C ATOM 1685 CD PRO A 113 2.808 6.489 13.343 1.00 0.00 C ATOM 0 HA PRO A 113 0.855 4.354 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.773 3.170 13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.235 3.988 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.312 5.011 14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.509 5.191 13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.774 7.196 14.172 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.364 6.968 12.537 1.00 0.00 H new ATOM 1693 N SER A 114 -0.730 3.518 13.445 1.00 0.00 N ATOM 1694 CA SER A 114 -1.683 2.925 14.375 1.00 0.00 C ATOM 1695 C SER A 114 -1.041 1.782 15.156 1.00 0.00 C ATOM 1696 O SER A 114 0.025 1.289 14.791 1.00 0.00 O ATOM 1697 CB SER A 114 -2.913 2.414 13.622 1.00 0.00 C ATOM 1698 OG SER A 114 -3.996 2.188 14.508 1.00 0.00 O ATOM 0 H SER A 114 -1.019 3.486 12.467 1.00 0.00 H new ATOM 0 HA SER A 114 -1.992 3.696 15.080 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.206 3.139 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.666 1.489 13.101 1.00 0.00 H new ATOM 0 HG SER A 114 -4.366 1.294 14.351 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.699 1.367 16.234 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.193 0.283 17.068 1.00 0.00 C ATOM 1706 C ASN A 115 -0.769 -0.908 16.215 1.00 0.00 C ATOM 1707 O ASN A 115 -1.195 -1.045 15.068 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.257 -0.151 18.078 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.838 1.020 18.846 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -2.397 1.331 19.953 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -3.833 1.677 18.261 1.00 0.00 N ATOM 0 H ASN A 115 -2.583 1.765 16.550 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.319 0.650 17.606 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.059 -0.673 17.555 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.819 -0.861 18.780 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.263 2.474 18.730 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.167 1.385 17.343 1.00 0.00 H new ATOM 1718 N TRP A 116 0.071 -1.766 16.782 1.00 0.00 N ATOM 1719 CA TRP A 116 0.552 -2.946 16.073 1.00 0.00 C ATOM 1720 C TRP A 116 -0.304 -4.164 16.399 1.00 0.00 C ATOM 1721 O TRP A 116 -0.078 -4.843 17.402 1.00 0.00 O ATOM 1722 CB TRP A 116 2.013 -3.223 16.433 1.00 0.00 C ATOM 1723 CG TRP A 116 2.989 -2.524 15.535 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.739 -1.424 15.837 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.318 -2.879 14.187 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.515 -1.073 14.759 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.276 -1.950 13.734 1.00 0.00 C ATOM 1728 CE3 TRP A 116 2.899 -3.891 13.320 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.817 -2.005 12.453 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.438 -3.944 12.048 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.389 -3.006 11.625 1.00 0.00 C ATOM 0 H TRP A 116 0.433 -1.667 17.730 1.00 0.00 H new ATOM 0 HA TRP A 116 0.480 -2.750 15.003 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.191 -2.913 17.463 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.194 -4.297 16.388 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.724 -0.906 16.784 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.164 -0.287 14.727 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.167 -4.619 13.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.549 -1.282 12.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.121 -4.722 11.369 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.792 -3.075 10.625 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.287 -4.436 15.548 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.179 -5.572 15.749 1.00 0.00 C ATOM 1744 C TYR A 117 -1.536 -6.864 15.252 1.00 0.00 C ATOM 1745 O TYR A 117 -0.788 -6.863 14.274 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.506 -5.339 15.026 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.341 -4.234 15.633 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -4.079 -2.900 15.346 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.393 -4.525 16.493 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.839 -1.888 15.900 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -6.159 -3.519 17.050 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.878 -2.202 16.751 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.637 -1.197 17.303 1.00 0.00 O ATOM 0 H TYR A 117 -1.486 -3.886 14.713 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.368 -5.669 16.818 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.304 -5.099 13.982 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.082 -6.264 15.034 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.268 -2.650 14.679 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.616 -5.555 16.730 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.621 -0.856 15.668 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.974 -3.763 17.716 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.328 -1.587 17.878 1.00 0.00 H new ATOM 1763 N THR A 118 -1.835 -7.966 15.934 1.00 0.00 N ATOM 1764 CA THR A 118 -1.287 -9.265 15.564 1.00 0.00 C ATOM 1765 C THR A 118 -2.398 -10.259 15.245 1.00 0.00 C ATOM 1766 O THR A 118 -3.416 -10.308 15.934 1.00 0.00 O ATOM 1767 CB THR A 118 -0.404 -9.842 16.686 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.534 -8.854 17.128 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.342 -11.078 16.206 1.00 0.00 C ATOM 0 H THR A 118 -2.453 -7.984 16.745 1.00 0.00 H new ATOM 0 HA THR A 118 -0.676 -9.109 14.675 1.00 0.00 H new ATOM 0 HB THR A 118 -1.050 -10.127 17.517 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.091 -9.228 17.843 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.959 -11.468 17.016 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.375 -11.839 15.898 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.977 -10.814 15.360 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.194 -11.050 14.197 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.178 -12.046 13.789 1.00 0.00 C ATOM 1779 C ALA A 119 -2.547 -13.430 13.685 1.00 0.00 C ATOM 1780 O ALA A 119 -1.468 -13.589 13.116 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.809 -11.650 12.462 1.00 0.00 C ATOM 0 H ALA A 119 -1.357 -11.021 13.615 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.956 -12.087 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.542 -12.402 12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.303 -10.684 12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.035 -11.580 11.698 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.228 -14.429 14.238 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.732 -15.800 14.208 1.00 0.00 C ATOM 1789 C GLU A 120 -3.554 -16.655 13.248 1.00 0.00 C ATOM 1790 O GLU A 120 -4.778 -16.727 13.354 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.770 -16.410 15.611 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.631 -15.950 16.506 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.333 -16.932 17.622 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -0.804 -18.023 17.326 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -1.629 -16.609 18.791 1.00 0.00 O ATOM 0 H GLU A 120 -4.124 -14.315 14.712 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.701 -15.779 13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.718 -16.154 16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.739 -17.496 15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.734 -15.808 15.903 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.881 -14.981 16.937 1.00 0.00 H new ATOM 1802 N THR A 121 -2.871 -17.301 12.308 1.00 0.00 N ATOM 1803 CA THR A 121 -3.535 -18.149 11.327 1.00 0.00 C ATOM 1804 C THR A 121 -3.821 -19.533 11.900 1.00 0.00 C ATOM 1805 O THR A 121 -3.047 -20.077 12.687 1.00 0.00 O ATOM 1806 CB THR A 121 -2.688 -18.301 10.049 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.334 -18.613 10.393 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.725 -17.025 9.222 1.00 0.00 C ATOM 0 H THR A 121 -1.857 -17.253 12.206 1.00 0.00 H new ATOM 0 HA THR A 121 -4.476 -17.661 11.074 1.00 0.00 H new ATOM 0 HB THR A 121 -3.108 -19.113 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.803 -18.709 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 121 -2.120 -17.155 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.754 -16.806 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.327 -16.198 9.811 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.959 -20.117 11.498 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.373 -21.446 11.959 1.00 0.00 C ATOM 1818 C PRO A 122 -4.490 -22.555 11.398 1.00 0.00 C ATOM 1819 O PRO A 122 -4.519 -22.837 10.200 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.802 -21.578 11.426 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.849 -20.673 10.243 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.930 -19.526 10.562 1.00 0.00 C ATOM 0 HA PRO A 122 -5.297 -21.543 13.042 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.027 -22.607 11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.534 -21.285 12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.526 -21.193 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.864 -20.321 10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.442 -19.141 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.469 -18.693 11.014 1.00 0.00 H new ATOM 1830 N GLU A 123 -3.707 -23.181 12.271 1.00 0.00 N ATOM 1831 CA GLU A 123 -2.815 -24.259 11.860 1.00 0.00 C ATOM 1832 C GLU A 123 -3.486 -25.154 10.822 1.00 0.00 C ATOM 1833 O GLU A 123 -2.859 -25.575 9.851 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.394 -25.092 13.072 1.00 0.00 C ATOM 1835 CG GLU A 123 -1.297 -24.447 13.903 1.00 0.00 C ATOM 1836 CD GLU A 123 -0.735 -25.383 14.955 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -1.376 -25.535 16.016 1.00 0.00 O ATOM 1838 OE2 GLU A 123 0.345 -25.964 14.717 1.00 0.00 O ATOM 0 H GLU A 123 -3.672 -22.961 13.266 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.929 -23.812 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.265 -25.263 13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.052 -26.069 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.492 -24.121 13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.692 -23.555 14.389 1.00 0.00 H new ATOM 1845 N ASN A 124 -4.766 -25.441 11.036 1.00 0.00 N ATOM 1846 CA ASN A 124 -5.523 -26.287 10.121 1.00 0.00 C ATOM 1847 C ASN A 124 -5.636 -25.636 8.745 1.00 0.00 C ATOM 1848 O ASN A 124 -5.156 -26.179 7.750 1.00 0.00 O ATOM 1849 CB ASN A 124 -6.920 -26.562 10.683 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.804 -27.303 9.699 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -7.854 -26.965 8.516 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.507 -28.319 10.185 1.00 0.00 N ATOM 0 H ASN A 124 -5.301 -25.100 11.835 1.00 0.00 H new ATOM 0 HA ASN A 124 -4.989 -27.231 10.015 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -6.832 -27.146 11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.393 -25.617 10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -9.120 -28.855 9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -8.434 -28.563 11.173 1.00 0.00 H new