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 Set 1.1: A 57 MET CE :methyl 178:sc= -3.63 (180deg=-3.73) USER MOD Set 1.2: A 81 MET CE :methyl -169:sc= -15.8! (180deg=-16.7!) USER MOD Set 1.3: A 96 CYS SG : rot -75:sc= -6.72! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -95:sc= 1.08 USER MOD Single : A 40 MET CE :methyl 143:sc= -4.88! (180deg=-11.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -81:sc= -2.49! USER MOD Single : A 48 TYR OH : rot 151:sc= 0.854 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00241 X(o=-0.0024,f=-0.032) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= -0.0926 (180deg=-0.548) USER MOD Single : A 78 MET CE :methyl -160:sc= -12.7! (180deg=-13.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.361 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 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.00484 X(o=0.0048,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -136:sc= -0.412 (180deg=-1.68!) USER MOD Single : A 99 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.7!) USER MOD Single : A 100 MET CE :methyl 136:sc= -0.279 (180deg=-1.1) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.856 K(o=-0.86,f=-0.11) 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= -1.05 K(o=-1.1,f=-1.9!) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.747) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.257 -5.498 -6.416 1.00 0.00 N ATOM 356 CA GLU A 19 128.864 -5.591 -6.940 1.00 0.00 C ATOM 357 C GLU A 19 127.860 -5.260 -5.833 1.00 0.00 C ATOM 358 O GLU A 19 126.682 -5.536 -5.946 1.00 0.00 O ATOM 359 CB GLU A 19 128.706 -7.044 -7.391 1.00 0.00 C ATOM 360 CG GLU A 19 128.717 -7.964 -6.169 1.00 0.00 C ATOM 361 CD GLU A 19 129.430 -9.270 -6.521 1.00 0.00 C ATOM 362 OE1 GLU A 19 128.829 -10.084 -7.204 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.564 -9.434 -6.103 1.00 0.00 O ATOM 0 HA GLU A 19 128.681 -4.890 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.773 -7.165 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.515 -7.315 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.222 -7.474 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 19 127.696 -8.170 -5.846 1.00 0.00 H new ATOM 370 N ALA A 20 128.316 -4.666 -4.765 1.00 0.00 N ATOM 371 CA ALA A 20 127.388 -4.314 -3.653 1.00 0.00 C ATOM 372 C ALA A 20 126.220 -3.480 -4.186 1.00 0.00 C ATOM 373 O ALA A 20 125.073 -3.726 -3.868 1.00 0.00 O ATOM 374 CB ALA A 20 128.230 -3.490 -2.680 1.00 0.00 C ATOM 0 H ALA A 20 129.291 -4.409 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 20 126.960 -5.196 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.616 -3.191 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.070 -4.089 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.606 -2.601 -3.187 1.00 0.00 H new ATOM 380 N GLU A 21 126.505 -2.496 -4.994 1.00 0.00 N ATOM 381 CA GLU A 21 125.414 -1.644 -5.550 1.00 0.00 C ATOM 382 C GLU A 21 124.220 -2.508 -5.964 1.00 0.00 C ATOM 383 O GLU A 21 123.086 -2.205 -5.650 1.00 0.00 O ATOM 384 CB GLU A 21 126.028 -0.955 -6.771 1.00 0.00 C ATOM 385 CG GLU A 21 126.679 -1.999 -7.683 1.00 0.00 C ATOM 386 CD GLU A 21 127.904 -1.388 -8.365 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.730 -0.445 -9.118 1.00 0.00 O ATOM 388 OE2 GLU A 21 128.997 -1.872 -8.120 1.00 0.00 O ATOM 0 H GLU A 21 127.447 -2.244 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 21 125.044 -0.924 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.258 -0.410 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.771 -0.224 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.972 -2.873 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.964 -2.339 -8.432 1.00 0.00 H new ATOM 395 N ILE A 22 124.464 -3.582 -6.663 1.00 0.00 N ATOM 396 CA ILE A 22 123.337 -4.461 -7.090 1.00 0.00 C ATOM 397 C ILE A 22 122.637 -5.051 -5.861 1.00 0.00 C ATOM 398 O ILE A 22 121.426 -5.084 -5.781 1.00 0.00 O ATOM 399 CB ILE A 22 123.986 -5.567 -7.923 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.747 -4.944 -9.096 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.901 -6.501 -8.462 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.698 -5.981 -9.695 1.00 0.00 C ATOM 0 H ILE A 22 125.391 -3.889 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 22 122.581 -3.919 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 22 124.678 -6.132 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.046 -4.597 -9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.308 -4.073 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.362 -7.290 -9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.357 -6.945 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.210 -5.934 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.240 -5.538 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.407 -6.307 -8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.125 -6.839 -10.048 1.00 0.00 H new ATOM 414 N LYS A 23 123.393 -5.512 -4.901 1.00 0.00 N ATOM 415 CA LYS A 23 122.773 -6.094 -3.677 1.00 0.00 C ATOM 416 C LYS A 23 121.851 -5.068 -3.016 1.00 0.00 C ATOM 417 O LYS A 23 120.845 -5.410 -2.425 1.00 0.00 O ATOM 418 CB LYS A 23 123.948 -6.432 -2.760 1.00 0.00 C ATOM 419 CG LYS A 23 124.282 -7.921 -2.882 1.00 0.00 C ATOM 420 CD LYS A 23 125.412 -8.111 -3.896 1.00 0.00 C ATOM 421 CE LYS A 23 125.366 -9.537 -4.450 1.00 0.00 C ATOM 422 NZ LYS A 23 126.590 -10.197 -3.917 1.00 0.00 N ATOM 0 H LYS A 23 124.413 -5.510 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 23 122.165 -6.971 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.817 -5.831 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.698 -6.188 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.580 -8.318 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 23 123.399 -8.478 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 125.311 -7.391 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 23 126.376 -7.925 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.464 -10.057 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.360 -9.537 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 126.629 -11.180 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 127.433 -9.684 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 126.564 -10.188 -2.877 1.00 0.00 H new ATOM 436 N VAL A 24 122.184 -3.809 -3.110 1.00 0.00 N ATOM 437 CA VAL A 24 121.324 -2.762 -2.487 1.00 0.00 C ATOM 438 C VAL A 24 120.024 -2.611 -3.281 1.00 0.00 C ATOM 439 O VAL A 24 118.998 -2.238 -2.746 1.00 0.00 O ATOM 440 CB VAL A 24 122.150 -1.478 -2.557 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.241 -0.273 -2.301 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.249 -1.520 -1.494 1.00 0.00 C ATOM 0 H VAL A 24 123.013 -3.460 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 24 121.045 -3.009 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 24 122.602 -1.390 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.829 0.643 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.456 -0.242 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.790 -0.361 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.838 -0.604 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.797 -1.607 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.896 -2.378 -1.674 1.00 0.00 H new ATOM 452 N ARG A 25 120.057 -2.899 -4.554 1.00 0.00 N ATOM 453 CA ARG A 25 118.821 -2.773 -5.378 1.00 0.00 C ATOM 454 C ARG A 25 117.831 -3.877 -5.007 1.00 0.00 C ATOM 455 O ARG A 25 116.653 -3.638 -4.830 1.00 0.00 O ATOM 456 CB ARG A 25 119.288 -2.933 -6.825 1.00 0.00 C ATOM 457 CG ARG A 25 118.868 -1.704 -7.637 1.00 0.00 C ATOM 458 CD ARG A 25 118.182 -2.155 -8.929 1.00 0.00 C ATOM 459 NE ARG A 25 118.290 -0.990 -9.850 1.00 0.00 N ATOM 460 CZ ARG A 25 117.338 -0.746 -10.709 1.00 0.00 C ATOM 461 NH1 ARG A 25 116.089 -0.877 -10.353 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.633 -0.370 -11.924 1.00 0.00 N ATOM 0 H ARG A 25 120.885 -3.216 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 25 118.313 -1.822 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.371 -3.051 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 25 118.856 -3.834 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.191 -1.082 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 25 119.740 -1.093 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.669 -3.036 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.140 -2.422 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 25 119.108 -0.382 -9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 25 115.857 -1.170 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 115.345 -0.686 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 25 118.609 -0.267 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 25 116.888 -0.180 -12.594 1.00 0.00 H new ATOM 476 N GLU A 26 118.303 -5.085 -4.884 1.00 0.00 N ATOM 477 CA GLU A 26 117.396 -6.210 -4.521 1.00 0.00 C ATOM 478 C GLU A 26 117.108 -6.187 -3.017 1.00 0.00 C ATOM 479 O GLU A 26 116.118 -6.719 -2.556 1.00 0.00 O ATOM 480 CB GLU A 26 118.160 -7.477 -4.903 1.00 0.00 C ATOM 481 CG GLU A 26 117.502 -8.690 -4.241 1.00 0.00 C ATOM 482 CD GLU A 26 117.239 -9.767 -5.296 1.00 0.00 C ATOM 483 OE1 GLU A 26 117.764 -9.638 -6.389 1.00 0.00 O ATOM 484 OE2 GLU A 26 116.516 -10.700 -4.991 1.00 0.00 O ATOM 0 H GLU A 26 119.280 -5.343 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 26 116.435 -6.148 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.165 -7.599 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 26 119.200 -7.396 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 26 118.148 -9.084 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.566 -8.395 -3.766 1.00 0.00 H new ATOM 491 N ALA A 27 117.967 -5.573 -2.250 1.00 0.00 N ATOM 492 CA ALA A 27 117.743 -5.513 -0.777 1.00 0.00 C ATOM 493 C ALA A 27 116.682 -4.462 -0.446 1.00 0.00 C ATOM 494 O ALA A 27 116.058 -4.500 0.596 1.00 0.00 O ATOM 495 CB ALA A 27 119.097 -5.114 -0.187 1.00 0.00 C ATOM 0 H ALA A 27 118.814 -5.110 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 27 117.386 -6.461 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 119.016 -5.048 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.844 -5.863 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.398 -4.146 -0.588 1.00 0.00 H new ATOM 501 N THR A 28 116.472 -3.521 -1.327 1.00 0.00 N ATOM 502 CA THR A 28 115.451 -2.467 -1.064 1.00 0.00 C ATOM 503 C THR A 28 114.103 -2.875 -1.665 1.00 0.00 C ATOM 504 O THR A 28 113.385 -2.063 -2.215 1.00 0.00 O ATOM 505 CB THR A 28 115.990 -1.212 -1.755 1.00 0.00 C ATOM 506 OG1 THR A 28 116.348 -1.529 -3.093 1.00 0.00 O ATOM 507 CG2 THR A 28 117.219 -0.701 -1.002 1.00 0.00 C ATOM 0 H THR A 28 116.963 -3.437 -2.217 1.00 0.00 H new ATOM 0 HA THR A 28 115.287 -2.307 0.002 1.00 0.00 H new ATOM 0 HB THR A 28 115.222 -0.438 -1.757 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.304 -1.742 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.602 0.193 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.942 -0.459 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.990 -1.472 -0.998 1.00 0.00 H new ATOM 644 N LEU A 39 120.202 -9.884 2.656 1.00 0.00 N ATOM 645 CA LEU A 39 121.021 -8.856 1.951 1.00 0.00 C ATOM 646 C LEU A 39 121.474 -7.776 2.937 1.00 0.00 C ATOM 647 O LEU A 39 122.217 -6.879 2.591 1.00 0.00 O ATOM 648 CB LEU A 39 120.087 -8.263 0.894 1.00 0.00 C ATOM 649 CG LEU A 39 120.619 -8.599 -0.500 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.521 -8.362 -1.538 1.00 0.00 C ATOM 651 CD2 LEU A 39 121.819 -7.703 -0.814 1.00 0.00 C ATOM 0 HA LEU A 39 121.923 -9.277 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.080 -8.662 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 120.019 -7.182 1.018 1.00 0.00 H new ATOM 0 HG LEU A 39 120.926 -9.645 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 119.901 -8.602 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 39 118.665 -8.998 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.213 -7.317 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 39 122.200 -7.940 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 121.511 -6.658 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 39 122.602 -7.872 -0.075 1.00 0.00 H new ATOM 663 N MET A 40 121.034 -7.855 4.162 1.00 0.00 N ATOM 664 CA MET A 40 121.441 -6.834 5.169 1.00 0.00 C ATOM 665 C MET A 40 122.860 -7.119 5.666 1.00 0.00 C ATOM 666 O MET A 40 123.737 -6.283 5.584 1.00 0.00 O ATOM 667 CB MET A 40 120.433 -6.981 6.309 1.00 0.00 C ATOM 668 CG MET A 40 119.476 -5.787 6.303 1.00 0.00 C ATOM 669 SD MET A 40 118.059 -6.144 7.369 1.00 0.00 S ATOM 670 CE MET A 40 117.731 -4.442 7.887 1.00 0.00 C ATOM 0 H MET A 40 120.410 -8.583 4.510 1.00 0.00 H new ATOM 0 HA MET A 40 121.446 -5.825 4.757 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.873 -7.909 6.196 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.955 -7.038 7.264 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.991 -4.893 6.653 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.138 -5.583 5.287 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.655 -4.287 7.967 1.00 0.00 H new ATOM 0 HE2 MET A 40 118.197 -4.260 8.855 1.00 0.00 H new ATOM 0 HE3 MET A 40 118.143 -3.752 7.151 1.00 0.00 H new ATOM 680 N SER A 41 123.091 -8.295 6.184 1.00 0.00 N ATOM 681 CA SER A 41 124.452 -8.634 6.689 1.00 0.00 C ATOM 682 C SER A 41 125.469 -8.603 5.544 1.00 0.00 C ATOM 683 O SER A 41 126.633 -8.317 5.742 1.00 0.00 O ATOM 684 CB SER A 41 124.323 -10.049 7.251 1.00 0.00 C ATOM 685 OG SER A 41 125.445 -10.330 8.078 1.00 0.00 O ATOM 0 H SER A 41 122.396 -9.035 6.279 1.00 0.00 H new ATOM 0 HA SER A 41 124.801 -7.925 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.401 -10.142 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.266 -10.772 6.437 1.00 0.00 H new ATOM 0 HG SER A 41 125.365 -11.237 8.441 1.00 0.00 H new ATOM 691 N GLU A 42 125.040 -8.898 4.347 1.00 0.00 N ATOM 692 CA GLU A 42 125.986 -8.891 3.194 1.00 0.00 C ATOM 693 C GLU A 42 126.307 -7.453 2.773 1.00 0.00 C ATOM 694 O GLU A 42 127.444 -7.029 2.798 1.00 0.00 O ATOM 695 CB GLU A 42 125.250 -9.625 2.073 1.00 0.00 C ATOM 696 CG GLU A 42 126.270 -10.235 1.109 1.00 0.00 C ATOM 697 CD GLU A 42 125.749 -11.579 0.596 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.550 -11.692 0.400 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.558 -12.472 0.408 1.00 0.00 O ATOM 0 H GLU A 42 124.077 -9.143 4.117 1.00 0.00 H new ATOM 0 HA GLU A 42 126.936 -9.366 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.615 -10.407 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.596 -8.935 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.446 -9.558 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 127.226 -10.373 1.614 1.00 0.00 H new ATOM 706 N ILE A 43 125.314 -6.703 2.381 1.00 0.00 N ATOM 707 CA ILE A 43 125.567 -5.297 1.954 1.00 0.00 C ATOM 708 C ILE A 43 126.399 -4.563 3.009 1.00 0.00 C ATOM 709 O ILE A 43 127.189 -3.695 2.694 1.00 0.00 O ATOM 710 CB ILE A 43 124.180 -4.673 1.810 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.497 -5.259 0.573 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.314 -3.157 1.650 1.00 0.00 C ATOM 713 CD1 ILE A 43 122.187 -4.519 0.301 1.00 0.00 C ATOM 0 H ILE A 43 124.340 -7.002 2.338 1.00 0.00 H new ATOM 0 HA ILE A 43 126.131 -5.239 1.023 1.00 0.00 H new ATOM 0 HB ILE A 43 123.585 -4.889 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 43 124.157 -5.177 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.300 -6.320 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.324 -2.713 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.809 -2.741 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.905 -2.936 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.707 -4.942 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.525 -4.624 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 43 122.395 -3.463 0.130 1.00 0.00 H new ATOM 725 N ALA A 44 126.241 -4.909 4.257 1.00 0.00 N ATOM 726 CA ALA A 44 127.040 -4.235 5.320 1.00 0.00 C ATOM 727 C ALA A 44 128.501 -4.675 5.214 1.00 0.00 C ATOM 728 O ALA A 44 129.408 -3.863 5.152 1.00 0.00 O ATOM 729 CB ALA A 44 126.421 -4.700 6.638 1.00 0.00 C ATOM 0 H ALA A 44 125.595 -5.627 4.586 1.00 0.00 H new ATOM 0 HA ALA A 44 127.025 -3.148 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.956 -4.245 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.373 -4.401 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.492 -5.785 6.710 1.00 0.00 H new ATOM 735 N ASP A 45 128.740 -5.958 5.169 1.00 0.00 N ATOM 736 CA ASP A 45 130.141 -6.439 5.041 1.00 0.00 C ATOM 737 C ASP A 45 130.784 -5.772 3.826 1.00 0.00 C ATOM 738 O ASP A 45 131.991 -5.690 3.710 1.00 0.00 O ATOM 739 CB ASP A 45 130.028 -7.950 4.831 1.00 0.00 C ATOM 740 CG ASP A 45 130.436 -8.676 6.114 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.070 -8.207 7.180 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.106 -9.690 6.011 1.00 0.00 O ATOM 0 H ASP A 45 128.029 -6.688 5.215 1.00 0.00 H new ATOM 0 HA ASP A 45 130.753 -6.205 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.006 -8.215 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.667 -8.262 4.005 1.00 0.00 H new ATOM 747 N LEU A 46 129.976 -5.287 2.921 1.00 0.00 N ATOM 748 CA LEU A 46 130.522 -4.615 1.710 1.00 0.00 C ATOM 749 C LEU A 46 130.902 -3.171 2.041 1.00 0.00 C ATOM 750 O LEU A 46 131.888 -2.654 1.555 1.00 0.00 O ATOM 751 CB LEU A 46 129.387 -4.653 0.687 1.00 0.00 C ATOM 752 CG LEU A 46 129.245 -6.072 0.133 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.256 -6.066 -1.035 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.608 -6.565 -0.357 1.00 0.00 C ATOM 0 H LEU A 46 128.958 -5.328 2.970 1.00 0.00 H new ATOM 0 HA LEU A 46 131.421 -5.103 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.453 -4.338 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.591 -3.954 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 46 128.878 -6.734 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.154 -7.077 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.285 -5.712 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 46 128.624 -5.405 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.509 -7.576 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.974 -5.903 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.314 -6.568 0.473 1.00 0.00 H new ATOM 766 N THR A 47 130.137 -2.516 2.869 1.00 0.00 N ATOM 767 CA THR A 47 130.479 -1.109 3.226 1.00 0.00 C ATOM 768 C THR A 47 131.923 -1.055 3.715 1.00 0.00 C ATOM 769 O THR A 47 132.680 -0.174 3.359 1.00 0.00 O ATOM 770 CB THR A 47 129.517 -0.720 4.352 1.00 0.00 C ATOM 771 OG1 THR A 47 129.710 -1.587 5.460 1.00 0.00 O ATOM 772 CG2 THR A 47 128.074 -0.825 3.857 1.00 0.00 C ATOM 0 H THR A 47 129.297 -2.889 3.311 1.00 0.00 H new ATOM 0 HA THR A 47 130.387 -0.430 2.378 1.00 0.00 H new ATOM 0 HB THR A 47 129.715 0.307 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.229 -2.427 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.392 -0.547 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.930 -0.153 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.870 -1.849 3.546 1.00 0.00 H new ATOM 780 N TYR A 48 132.316 -1.999 4.524 1.00 0.00 N ATOM 781 CA TYR A 48 133.721 -2.006 5.022 1.00 0.00 C ATOM 782 C TYR A 48 134.676 -1.714 3.862 1.00 0.00 C ATOM 783 O TYR A 48 135.619 -0.959 3.992 1.00 0.00 O ATOM 784 CB TYR A 48 133.947 -3.417 5.564 1.00 0.00 C ATOM 785 CG TYR A 48 133.111 -3.621 6.803 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.605 -3.231 8.054 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.842 -4.203 6.704 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.829 -3.421 9.204 1.00 0.00 C ATOM 789 CE2 TYR A 48 131.067 -4.395 7.853 1.00 0.00 C ATOM 790 CZ TYR A 48 131.561 -4.004 9.104 1.00 0.00 C ATOM 791 OH TYR A 48 130.797 -4.194 10.237 1.00 0.00 O ATOM 0 H TYR A 48 131.729 -2.762 4.861 1.00 0.00 H new ATOM 0 HA TYR A 48 133.898 -1.250 5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.681 -4.155 4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 48 135.002 -3.564 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.585 -2.784 8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.461 -4.504 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.209 -3.118 10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.088 -4.845 7.775 1.00 0.00 H new ATOM 0 HH TYR A 48 129.847 -4.157 10.001 1.00 0.00 H new ATOM 801 N ASN A 49 134.426 -2.303 2.724 1.00 0.00 N ATOM 802 CA ASN A 49 135.305 -2.059 1.542 1.00 0.00 C ATOM 803 C ASN A 49 135.057 -0.667 0.982 1.00 0.00 C ATOM 804 O ASN A 49 134.207 -0.464 0.140 1.00 0.00 O ATOM 805 CB ASN A 49 134.920 -3.133 0.522 1.00 0.00 C ATOM 806 CG ASN A 49 135.923 -4.287 0.589 1.00 0.00 C ATOM 807 OD1 ASN A 49 137.014 -4.190 0.064 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.598 -5.384 1.219 1.00 0.00 N ATOM 0 H ASN A 49 133.650 -2.944 2.561 1.00 0.00 H new ATOM 0 HA ASN A 49 136.363 -2.112 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.914 -3.500 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.906 -2.708 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.260 -6.158 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.682 -5.466 1.660 1.00 0.00 H new ATOM 815 N VAL A 50 135.839 0.266 1.450 1.00 0.00 N ATOM 816 CA VAL A 50 135.773 1.689 0.995 1.00 0.00 C ATOM 817 C VAL A 50 134.881 1.874 -0.240 1.00 0.00 C ATOM 818 O VAL A 50 133.931 2.632 -0.219 1.00 0.00 O ATOM 819 CB VAL A 50 137.234 2.040 0.666 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.934 2.521 1.938 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.984 0.804 0.116 1.00 0.00 C ATOM 0 H VAL A 50 136.552 0.094 2.159 1.00 0.00 H new ATOM 0 HA VAL A 50 135.333 2.332 1.757 1.00 0.00 H new ATOM 0 HB VAL A 50 137.242 2.823 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.970 2.771 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.423 3.404 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.908 1.731 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.015 1.075 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.973 0.010 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.493 0.455 -0.793 1.00 0.00 H new ATOM 831 N VAL A 51 135.175 1.196 -1.315 1.00 0.00 N ATOM 832 CA VAL A 51 134.338 1.345 -2.542 1.00 0.00 C ATOM 833 C VAL A 51 132.933 0.810 -2.297 1.00 0.00 C ATOM 834 O VAL A 51 131.959 1.535 -2.336 1.00 0.00 O ATOM 835 CB VAL A 51 135.036 0.489 -3.606 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.025 0.048 -4.683 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.150 1.308 -4.258 1.00 0.00 C ATOM 0 H VAL A 51 135.957 0.546 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 51 134.241 2.389 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 51 135.456 -0.398 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.533 -0.559 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.231 -0.538 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.595 0.928 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.650 0.704 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.723 2.196 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.872 1.609 -3.499 1.00 0.00 H new ATOM 847 N ALA A 52 132.835 -0.473 -2.096 1.00 0.00 N ATOM 848 CA ALA A 52 131.510 -1.111 -1.900 1.00 0.00 C ATOM 849 C ALA A 52 130.568 -0.194 -1.116 1.00 0.00 C ATOM 850 O ALA A 52 129.418 -0.028 -1.466 1.00 0.00 O ATOM 851 CB ALA A 52 131.799 -2.382 -1.106 1.00 0.00 C ATOM 0 H ALA A 52 133.628 -1.113 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 52 131.017 -1.318 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.866 -2.914 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.473 -3.021 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.264 -2.120 -0.156 1.00 0.00 H new ATOM 857 N PHE A 53 131.046 0.398 -0.058 1.00 0.00 N ATOM 858 CA PHE A 53 130.179 1.303 0.748 1.00 0.00 C ATOM 859 C PHE A 53 129.591 2.407 -0.137 1.00 0.00 C ATOM 860 O PHE A 53 128.390 2.554 -0.248 1.00 0.00 O ATOM 861 CB PHE A 53 131.117 1.891 1.802 1.00 0.00 C ATOM 862 CG PHE A 53 130.496 3.127 2.397 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.189 3.080 2.889 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.225 4.318 2.452 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.609 4.227 3.440 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.647 5.467 3.002 1.00 0.00 C ATOM 867 CZ PHE A 53 129.338 5.422 3.497 1.00 0.00 C ATOM 0 H PHE A 53 132.001 0.294 0.284 1.00 0.00 H new ATOM 0 HA PHE A 53 129.332 0.783 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.309 1.156 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.079 2.136 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.627 2.159 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.235 4.351 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.599 4.192 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.210 6.388 3.045 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.891 6.308 3.923 1.00 0.00 H new ATOM 877 N SER A 54 130.428 3.189 -0.763 1.00 0.00 N ATOM 878 CA SER A 54 129.916 4.287 -1.635 1.00 0.00 C ATOM 879 C SER A 54 128.883 3.745 -2.626 1.00 0.00 C ATOM 880 O SER A 54 127.865 4.358 -2.873 1.00 0.00 O ATOM 881 CB SER A 54 131.145 4.808 -2.376 1.00 0.00 C ATOM 882 OG SER A 54 131.920 5.610 -1.495 1.00 0.00 O ATOM 0 H SER A 54 131.444 3.116 -0.709 1.00 0.00 H new ATOM 0 HA SER A 54 129.421 5.070 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.741 3.974 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 54 130.840 5.392 -3.244 1.00 0.00 H new ATOM 0 HG SER A 54 132.711 5.945 -1.967 1.00 0.00 H new ATOM 888 N GLU A 55 129.139 2.601 -3.199 1.00 0.00 N ATOM 889 CA GLU A 55 128.174 2.023 -4.179 1.00 0.00 C ATOM 890 C GLU A 55 126.863 1.642 -3.481 1.00 0.00 C ATOM 891 O GLU A 55 125.799 1.688 -4.069 1.00 0.00 O ATOM 892 CB GLU A 55 128.873 0.775 -4.723 1.00 0.00 C ATOM 893 CG GLU A 55 130.298 1.133 -5.156 1.00 0.00 C ATOM 894 CD GLU A 55 130.439 0.931 -6.666 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.784 1.650 -7.403 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.199 0.061 -7.058 1.00 0.00 O ATOM 0 H GLU A 55 129.975 2.041 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 55 127.915 2.729 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.898 -0.002 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.315 0.373 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.520 2.168 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.018 0.509 -4.626 1.00 0.00 H new ATOM 903 N ILE A 56 126.933 1.267 -2.235 1.00 0.00 N ATOM 904 CA ILE A 56 125.694 0.879 -1.499 1.00 0.00 C ATOM 905 C ILE A 56 124.869 2.122 -1.152 1.00 0.00 C ATOM 906 O ILE A 56 123.809 2.346 -1.702 1.00 0.00 O ATOM 907 CB ILE A 56 126.200 0.180 -0.234 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.705 -1.219 -0.600 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.067 0.059 0.787 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.928 -1.563 0.250 1.00 0.00 C ATOM 0 H ILE A 56 127.795 1.212 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 56 125.041 0.233 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 56 127.010 0.766 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.918 -1.955 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.963 -1.258 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.437 -0.439 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.705 1.053 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.251 -0.523 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.285 -2.559 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.717 -0.834 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.655 -1.542 1.305 1.00 0.00 H new ATOM 922 N MET A 57 125.344 2.933 -0.247 1.00 0.00 N ATOM 923 CA MET A 57 124.581 4.160 0.128 1.00 0.00 C ATOM 924 C MET A 57 124.107 4.891 -1.131 1.00 0.00 C ATOM 925 O MET A 57 123.017 5.422 -1.175 1.00 0.00 O ATOM 926 CB MET A 57 125.576 5.025 0.902 1.00 0.00 C ATOM 927 CG MET A 57 125.631 4.568 2.362 1.00 0.00 C ATOM 928 SD MET A 57 123.988 4.717 3.108 1.00 0.00 S ATOM 929 CE MET A 57 124.120 6.451 3.606 1.00 0.00 C ATOM 0 H MET A 57 126.225 2.801 0.249 1.00 0.00 H new ATOM 0 HA MET A 57 123.694 3.930 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.565 4.951 0.450 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.279 6.073 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.974 3.535 2.417 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.349 5.173 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.184 6.770 4.065 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.933 6.563 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.323 7.067 2.730 1.00 0.00 H new ATOM 939 N SER A 58 124.918 4.924 -2.153 1.00 0.00 N ATOM 940 CA SER A 58 124.507 5.625 -3.404 1.00 0.00 C ATOM 941 C SER A 58 123.144 5.113 -3.875 1.00 0.00 C ATOM 942 O SER A 58 122.190 5.860 -3.968 1.00 0.00 O ATOM 943 CB SER A 58 125.590 5.285 -4.427 1.00 0.00 C ATOM 944 OG SER A 58 125.376 6.045 -5.609 1.00 0.00 O ATOM 0 H SER A 58 125.844 4.498 -2.177 1.00 0.00 H new ATOM 0 HA SER A 58 124.409 6.701 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.576 5.501 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.567 4.220 -4.657 1.00 0.00 H new ATOM 0 HG SER A 58 126.070 5.830 -6.266 1.00 0.00 H new ATOM 950 N MET A 59 123.040 3.845 -4.169 1.00 0.00 N ATOM 951 CA MET A 59 121.731 3.298 -4.628 1.00 0.00 C ATOM 952 C MET A 59 120.660 3.552 -3.565 1.00 0.00 C ATOM 953 O MET A 59 119.498 3.735 -3.870 1.00 0.00 O ATOM 954 CB MET A 59 121.967 1.798 -4.808 1.00 0.00 C ATOM 955 CG MET A 59 121.512 1.375 -6.206 1.00 0.00 C ATOM 956 SD MET A 59 122.954 0.918 -7.199 1.00 0.00 S ATOM 957 CE MET A 59 123.434 2.594 -7.685 1.00 0.00 C ATOM 0 H MET A 59 123.800 3.167 -4.112 1.00 0.00 H new ATOM 0 HA MET A 59 121.385 3.765 -5.550 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.023 1.566 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.418 1.239 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 59 120.824 0.533 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 59 120.971 2.190 -6.686 1.00 0.00 H new ATOM 0 HE1 MET A 59 124.321 2.550 -8.316 1.00 0.00 H new ATOM 0 HE2 MET A 59 122.618 3.060 -8.238 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.652 3.183 -6.794 1.00 0.00 H new ATOM 967 N ILE A 60 121.046 3.565 -2.319 1.00 0.00 N ATOM 968 CA ILE A 60 120.058 3.809 -1.229 1.00 0.00 C ATOM 969 C ILE A 60 119.527 5.250 -1.316 1.00 0.00 C ATOM 970 O ILE A 60 118.409 5.532 -0.936 1.00 0.00 O ATOM 971 CB ILE A 60 120.851 3.559 0.068 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.495 2.173 0.614 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.516 4.615 1.126 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.777 1.409 0.950 1.00 0.00 C ATOM 0 H ILE A 60 122.006 3.417 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 60 119.181 3.165 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 60 121.916 3.618 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.874 2.270 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.912 1.620 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.088 4.417 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.770 5.604 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.451 4.576 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.522 0.423 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.382 1.299 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.342 1.960 1.702 1.00 0.00 H new ATOM 986 N TRP A 61 120.323 6.158 -1.810 1.00 0.00 N ATOM 987 CA TRP A 61 119.867 7.575 -1.918 1.00 0.00 C ATOM 988 C TRP A 61 118.966 7.755 -3.144 1.00 0.00 C ATOM 989 O TRP A 61 117.963 8.440 -3.093 1.00 0.00 O ATOM 990 CB TRP A 61 121.150 8.391 -2.083 1.00 0.00 C ATOM 991 CG TRP A 61 121.899 8.420 -0.789 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.201 8.087 -0.639 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.418 8.798 0.534 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.551 8.236 0.690 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.488 8.672 1.453 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.172 9.233 1.021 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.326 8.968 2.806 1.00 0.00 C ATOM 998 CZ3 TRP A 61 120.007 9.531 2.383 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.082 9.399 3.274 1.00 0.00 C ATOM 0 H TRP A 61 121.270 5.981 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 61 119.288 7.886 -1.048 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.772 7.955 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.909 9.406 -2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.860 7.758 -1.429 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.482 8.047 1.061 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.338 9.338 0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.157 8.865 3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.046 9.864 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.948 9.630 4.320 1.00 0.00 H new ATOM 1010 N LYS A 62 119.320 7.154 -4.247 1.00 0.00 N ATOM 1011 CA LYS A 62 118.489 7.299 -5.478 1.00 0.00 C ATOM 1012 C LYS A 62 117.047 6.857 -5.211 1.00 0.00 C ATOM 1013 O LYS A 62 116.128 7.651 -5.248 1.00 0.00 O ATOM 1014 CB LYS A 62 119.148 6.382 -6.510 1.00 0.00 C ATOM 1015 CG LYS A 62 119.501 7.190 -7.760 1.00 0.00 C ATOM 1016 CD LYS A 62 121.022 7.273 -7.903 1.00 0.00 C ATOM 1017 CE LYS A 62 121.399 8.581 -8.600 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.769 8.349 -9.136 1.00 0.00 N ATOM 0 H LYS A 62 120.149 6.568 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 62 118.441 8.333 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.047 5.931 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.474 5.566 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.067 6.721 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.077 8.192 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.493 7.223 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.391 6.423 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 62 120.697 8.819 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.384 9.419 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.098 9.203 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.416 8.131 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.751 7.550 -9.802 1.00 0.00 H new ATOM 1032 N ARG A 63 116.841 5.596 -4.951 1.00 0.00 N ATOM 1033 CA ARG A 63 115.457 5.102 -4.691 1.00 0.00 C ATOM 1034 C ARG A 63 114.862 5.789 -3.457 1.00 0.00 C ATOM 1035 O ARG A 63 113.660 5.876 -3.305 1.00 0.00 O ATOM 1036 CB ARG A 63 115.614 3.603 -4.445 1.00 0.00 C ATOM 1037 CG ARG A 63 116.376 3.378 -3.138 1.00 0.00 C ATOM 1038 CD ARG A 63 116.228 1.918 -2.702 1.00 0.00 C ATOM 1039 NE ARG A 63 117.164 1.161 -3.577 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.867 0.960 -4.831 1.00 0.00 C ATOM 1041 NH1 ARG A 63 115.649 0.639 -5.170 1.00 0.00 N ATOM 1042 NH2 ARG A 63 117.788 1.083 -5.748 1.00 0.00 N ATOM 0 H ARG A 63 117.571 4.885 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 63 114.784 5.314 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 63 114.635 3.127 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 63 116.149 3.142 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.430 3.623 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 63 115.992 4.040 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 63 116.482 1.792 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.202 1.570 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 63 118.038 0.799 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 63 114.928 0.545 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.417 0.482 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 63 118.740 1.336 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 63 117.556 0.926 -6.729 1.00 0.00 H new ATOM 1056 N LEU A 64 115.691 6.273 -2.573 1.00 0.00 N ATOM 1057 CA LEU A 64 115.162 6.946 -1.351 1.00 0.00 C ATOM 1058 C LEU A 64 114.321 8.165 -1.737 1.00 0.00 C ATOM 1059 O LEU A 64 113.424 8.563 -1.021 1.00 0.00 O ATOM 1060 CB LEU A 64 116.399 7.379 -0.562 1.00 0.00 C ATOM 1061 CG LEU A 64 116.552 6.489 0.672 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.740 6.969 1.509 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.274 6.556 1.514 1.00 0.00 C ATOM 0 H LEU A 64 116.708 6.232 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 64 114.518 6.287 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.288 7.306 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.305 8.423 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 64 116.725 5.461 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.847 6.333 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.650 6.918 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.570 7.998 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.384 5.921 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.099 7.585 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.428 6.210 0.920 1.00 0.00 H new ATOM 1075 N ASN A 65 114.603 8.759 -2.862 1.00 0.00 N ATOM 1076 CA ASN A 65 113.821 9.947 -3.291 1.00 0.00 C ATOM 1077 C ASN A 65 112.829 9.553 -4.387 1.00 0.00 C ATOM 1078 O ASN A 65 112.587 10.295 -5.317 1.00 0.00 O ATOM 1079 CB ASN A 65 114.855 10.936 -3.829 1.00 0.00 C ATOM 1080 CG ASN A 65 114.287 12.355 -3.763 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.055 12.880 -2.692 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.052 13.004 -4.870 1.00 0.00 N ATOM 0 H ASN A 65 115.343 8.471 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 65 113.240 10.377 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.773 10.873 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 65 115.114 10.684 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.674 13.951 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.246 12.565 -5.770 1.00 0.00 H new ATOM 1161 N TRP A 71 105.910 5.281 -2.544 1.00 0.00 N ATOM 1162 CA TRP A 71 107.018 5.419 -1.556 1.00 0.00 C ATOM 1163 C TRP A 71 107.563 4.040 -1.174 1.00 0.00 C ATOM 1164 O TRP A 71 108.535 3.923 -0.455 1.00 0.00 O ATOM 1165 CB TRP A 71 106.385 6.099 -0.342 1.00 0.00 C ATOM 1166 CG TRP A 71 105.178 5.330 0.090 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.897 5.713 -0.117 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.115 4.057 0.799 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.052 4.756 0.418 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.756 3.716 0.993 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.096 3.174 1.287 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.382 2.542 1.648 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.724 1.992 1.946 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.370 1.676 2.126 1.00 0.00 C ATOM 0 HA TRP A 71 107.855 5.992 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.106 6.153 0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.107 7.123 -0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.585 6.618 -0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.034 4.812 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.142 3.407 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.337 2.304 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.485 1.322 2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.090 0.765 2.633 1.00 0.00 H new ATOM 1185 N ARG A 72 106.941 2.995 -1.649 1.00 0.00 N ATOM 1186 CA ARG A 72 107.423 1.625 -1.311 1.00 0.00 C ATOM 1187 C ARG A 72 108.944 1.543 -1.470 1.00 0.00 C ATOM 1188 O ARG A 72 109.641 1.036 -0.613 1.00 0.00 O ATOM 1189 CB ARG A 72 106.728 0.704 -2.316 1.00 0.00 C ATOM 1190 CG ARG A 72 105.359 0.295 -1.771 1.00 0.00 C ATOM 1191 CD ARG A 72 104.703 -0.701 -2.731 1.00 0.00 C ATOM 1192 NE ARG A 72 103.285 -0.786 -2.286 1.00 0.00 N ATOM 1193 CZ ARG A 72 102.549 -1.802 -2.646 1.00 0.00 C ATOM 1194 NH1 ARG A 72 102.288 -2.006 -3.909 1.00 0.00 N ATOM 1195 NH2 ARG A 72 102.072 -2.616 -1.743 1.00 0.00 N ATOM 0 H ARG A 72 106.122 3.030 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 72 107.198 1.350 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.613 1.213 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.338 -0.181 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.468 -0.154 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.725 1.174 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.773 -0.359 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.191 -1.675 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 72 102.889 -0.051 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.659 -1.371 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 101.713 -2.800 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 72 102.275 -2.458 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.497 -3.410 -2.025 1.00 0.00 H new ATOM 1209 N HIS A 73 109.464 2.039 -2.559 1.00 0.00 N ATOM 1210 CA HIS A 73 110.938 1.988 -2.772 1.00 0.00 C ATOM 1211 C HIS A 73 111.662 2.741 -1.652 1.00 0.00 C ATOM 1212 O HIS A 73 112.692 2.314 -1.169 1.00 0.00 O ATOM 1213 CB HIS A 73 111.166 2.676 -4.119 1.00 0.00 C ATOM 1214 CG HIS A 73 111.156 1.647 -5.215 1.00 0.00 C ATOM 1215 ND1 HIS A 73 112.239 0.818 -5.460 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.203 1.302 -6.140 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.915 0.023 -6.496 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.684 0.276 -6.949 1.00 0.00 N ATOM 0 H HIS A 73 108.932 2.477 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 73 111.322 0.968 -2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.389 3.419 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.118 3.206 -4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.228 1.757 -6.227 1.00 0.00 H new ATOM 0 HE1 HIS A 73 112.570 -0.728 -6.911 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.201 -0.183 -7.721 1.00 0.00 H new ATOM 1226 N VAL A 74 111.132 3.859 -1.234 1.00 0.00 N ATOM 1227 CA VAL A 74 111.792 4.637 -0.145 1.00 0.00 C ATOM 1228 C VAL A 74 111.844 3.809 1.142 1.00 0.00 C ATOM 1229 O VAL A 74 112.899 3.570 1.696 1.00 0.00 O ATOM 1230 CB VAL A 74 110.914 5.872 0.049 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.331 6.599 1.329 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.082 6.811 -1.148 1.00 0.00 C ATOM 0 H VAL A 74 110.271 4.267 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 74 112.820 4.902 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 74 109.871 5.567 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.705 7.480 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.212 5.931 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.374 6.904 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.456 7.692 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.125 7.116 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.785 6.294 -2.060 1.00 0.00 H new ATOM 1242 N TYR A 75 110.712 3.372 1.622 1.00 0.00 N ATOM 1243 CA TYR A 75 110.694 2.563 2.875 1.00 0.00 C ATOM 1244 C TYR A 75 111.835 1.542 2.865 1.00 0.00 C ATOM 1245 O TYR A 75 112.639 1.487 3.775 1.00 0.00 O ATOM 1246 CB TYR A 75 109.339 1.853 2.870 1.00 0.00 C ATOM 1247 CG TYR A 75 108.967 1.466 4.281 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.021 2.418 5.306 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.567 0.154 4.565 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.674 2.059 6.614 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.221 -0.205 5.873 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.275 0.747 6.898 1.00 0.00 C ATOM 1253 OH TYR A 75 107.934 0.393 8.187 1.00 0.00 O ATOM 0 H TYR A 75 109.798 3.540 1.201 1.00 0.00 H new ATOM 0 HA TYR A 75 110.828 3.179 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.576 2.507 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.384 0.966 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.330 3.429 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.526 -0.581 3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.714 2.794 7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.912 -1.217 6.091 1.00 0.00 H new ATOM 0 HH TYR A 75 107.680 -0.553 8.210 1.00 0.00 H new ATOM 1263 N LYS A 76 111.913 0.733 1.845 1.00 0.00 N ATOM 1264 CA LYS A 76 113.005 -0.282 1.780 1.00 0.00 C ATOM 1265 C LYS A 76 114.371 0.409 1.766 1.00 0.00 C ATOM 1266 O LYS A 76 115.326 -0.072 2.342 1.00 0.00 O ATOM 1267 CB LYS A 76 112.769 -1.035 0.470 1.00 0.00 C ATOM 1268 CG LYS A 76 111.345 -1.595 0.452 1.00 0.00 C ATOM 1269 CD LYS A 76 111.383 -3.098 0.730 1.00 0.00 C ATOM 1270 CE LYS A 76 111.351 -3.341 2.241 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.938 -3.090 2.641 1.00 0.00 N ATOM 0 H LYS A 76 111.269 0.730 1.054 1.00 0.00 H new ATOM 0 HA LYS A 76 112.999 -0.951 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.919 -0.367 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.491 -1.845 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.736 -1.091 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.881 -1.405 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.533 -3.588 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.284 -3.535 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.655 -4.359 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 112.034 -2.671 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.913 -2.376 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 109.401 -2.745 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.513 -3.974 2.986 1.00 0.00 H new ATOM 1285 N ALA A 77 114.472 1.532 1.110 1.00 0.00 N ATOM 1286 CA ALA A 77 115.777 2.252 1.060 1.00 0.00 C ATOM 1287 C ALA A 77 116.201 2.674 2.469 1.00 0.00 C ATOM 1288 O ALA A 77 117.371 2.842 2.754 1.00 0.00 O ATOM 1289 CB ALA A 77 115.517 3.482 0.189 1.00 0.00 C ATOM 0 H ALA A 77 113.708 1.983 0.606 1.00 0.00 H new ATOM 0 HA ALA A 77 116.577 1.630 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.433 4.067 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.195 3.164 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.738 4.093 0.645 1.00 0.00 H new ATOM 1295 N MET A 78 115.258 2.848 3.354 1.00 0.00 N ATOM 1296 CA MET A 78 115.603 3.259 4.745 1.00 0.00 C ATOM 1297 C MET A 78 116.103 2.053 5.543 1.00 0.00 C ATOM 1298 O MET A 78 116.978 2.170 6.377 1.00 0.00 O ATOM 1299 CB MET A 78 114.297 3.789 5.335 1.00 0.00 C ATOM 1300 CG MET A 78 113.629 4.735 4.334 1.00 0.00 C ATOM 1301 SD MET A 78 113.146 6.261 5.176 1.00 0.00 S ATOM 1302 CE MET A 78 111.399 6.235 4.704 1.00 0.00 C ATOM 0 H MET A 78 114.262 2.723 3.174 1.00 0.00 H new ATOM 0 HA MET A 78 116.395 4.007 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.629 2.960 5.569 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.495 4.313 6.270 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.314 4.959 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.754 4.257 3.894 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.980 7.236 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.306 5.904 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.857 5.549 5.354 1.00 0.00 H new ATOM 1312 N THR A 79 115.554 0.896 5.294 1.00 0.00 N ATOM 1313 CA THR A 79 116.001 -0.315 6.041 1.00 0.00 C ATOM 1314 C THR A 79 117.488 -0.564 5.791 1.00 0.00 C ATOM 1315 O THR A 79 118.277 -0.649 6.710 1.00 0.00 O ATOM 1316 CB THR A 79 115.158 -1.462 5.480 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.784 -1.100 5.520 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.381 -2.722 6.317 1.00 0.00 C ATOM 0 H THR A 79 114.817 0.736 4.607 1.00 0.00 H new ATOM 0 HA THR A 79 115.873 -0.210 7.118 1.00 0.00 H new ATOM 0 HB THR A 79 115.453 -1.659 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.242 -1.833 5.159 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.779 -3.537 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.435 -2.999 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.088 -2.530 7.349 1.00 0.00 H new ATOM 1326 N LEU A 80 117.873 -0.673 4.554 1.00 0.00 N ATOM 1327 CA LEU A 80 119.310 -0.909 4.240 1.00 0.00 C ATOM 1328 C LEU A 80 120.159 0.240 4.785 1.00 0.00 C ATOM 1329 O LEU A 80 121.275 0.049 5.219 1.00 0.00 O ATOM 1330 CB LEU A 80 119.382 -0.951 2.714 1.00 0.00 C ATOM 1331 CG LEU A 80 120.783 -1.385 2.284 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.141 -2.708 2.964 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.812 -1.568 0.765 1.00 0.00 C ATOM 0 H LEU A 80 117.256 -0.609 3.744 1.00 0.00 H new ATOM 0 HA LEU A 80 119.687 -1.828 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.638 -1.645 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.150 0.031 2.301 1.00 0.00 H new ATOM 0 HG LEU A 80 121.506 -0.622 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.140 -3.016 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.118 -2.579 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.420 -3.473 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.810 -1.878 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 120.089 -2.331 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.557 -0.626 0.280 1.00 0.00 H new ATOM 1345 N MET A 81 119.638 1.434 4.768 1.00 0.00 N ATOM 1346 CA MET A 81 120.418 2.590 5.287 1.00 0.00 C ATOM 1347 C MET A 81 120.632 2.446 6.797 1.00 0.00 C ATOM 1348 O MET A 81 121.649 2.839 7.329 1.00 0.00 O ATOM 1349 CB MET A 81 119.565 3.818 4.973 1.00 0.00 C ATOM 1350 CG MET A 81 120.057 5.008 5.798 1.00 0.00 C ATOM 1351 SD MET A 81 119.307 6.531 5.169 1.00 0.00 S ATOM 1352 CE MET A 81 119.798 6.328 3.440 1.00 0.00 C ATOM 0 H MET A 81 118.707 1.659 4.418 1.00 0.00 H new ATOM 0 HA MET A 81 121.407 2.660 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.622 4.051 3.910 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.518 3.614 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.797 4.869 6.847 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.144 5.076 5.745 1.00 0.00 H new ATOM 0 HE1 MET A 81 119.608 7.254 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 81 120.860 6.089 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 81 119.222 5.519 2.991 1.00 0.00 H new ATOM 1362 N GLU A 82 119.682 1.881 7.487 1.00 0.00 N ATOM 1363 CA GLU A 82 119.832 1.708 8.961 1.00 0.00 C ATOM 1364 C GLU A 82 120.756 0.523 9.262 1.00 0.00 C ATOM 1365 O GLU A 82 121.819 0.681 9.826 1.00 0.00 O ATOM 1366 CB GLU A 82 118.418 1.431 9.473 1.00 0.00 C ATOM 1367 CG GLU A 82 118.471 1.091 10.964 1.00 0.00 C ATOM 1368 CD GLU A 82 118.436 2.383 11.783 1.00 0.00 C ATOM 1369 OE1 GLU A 82 119.481 2.994 11.935 1.00 0.00 O ATOM 1370 OE2 GLU A 82 117.365 2.738 12.245 1.00 0.00 O ATOM 0 H GLU A 82 118.808 1.531 7.096 1.00 0.00 H new ATOM 0 HA GLU A 82 120.273 2.583 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.784 2.303 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.974 0.606 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 82 117.628 0.454 11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 82 119.378 0.530 11.188 1.00 0.00 H new ATOM 1377 N TYR A 83 120.354 -0.661 8.887 1.00 0.00 N ATOM 1378 CA TYR A 83 121.201 -1.860 9.148 1.00 0.00 C ATOM 1379 C TYR A 83 122.675 -1.549 8.876 1.00 0.00 C ATOM 1380 O TYR A 83 123.538 -1.831 9.683 1.00 0.00 O ATOM 1381 CB TYR A 83 120.693 -2.911 8.164 1.00 0.00 C ATOM 1382 CG TYR A 83 121.361 -4.230 8.455 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.577 -4.553 7.840 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.763 -5.131 9.342 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.194 -5.779 8.114 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.380 -6.357 9.616 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.596 -6.682 9.002 1.00 0.00 C ATOM 1388 OH TYR A 83 123.205 -7.891 9.272 1.00 0.00 O ATOM 0 H TYR A 83 119.473 -0.850 8.410 1.00 0.00 H new ATOM 0 HA TYR A 83 121.136 -2.191 10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.611 -3.012 8.248 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.905 -2.601 7.141 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.038 -3.857 7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.825 -4.881 9.815 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.132 -6.029 7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.918 -7.053 10.301 1.00 0.00 H new ATOM 0 HH TYR A 83 122.659 -8.397 9.909 1.00 0.00 H new ATOM 1398 N LEU A 84 122.969 -0.980 7.741 1.00 0.00 N ATOM 1399 CA LEU A 84 124.387 -0.662 7.410 1.00 0.00 C ATOM 1400 C LEU A 84 124.938 0.386 8.381 1.00 0.00 C ATOM 1401 O LEU A 84 126.045 0.270 8.868 1.00 0.00 O ATOM 1402 CB LEU A 84 124.344 -0.113 5.984 1.00 0.00 C ATOM 1403 CG LEU A 84 123.707 -1.153 5.058 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.579 -0.574 3.647 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.585 -2.405 5.017 1.00 0.00 C ATOM 0 H LEU A 84 122.288 -0.721 7.027 1.00 0.00 H new ATOM 0 HA LEU A 84 125.037 -1.533 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.771 0.814 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.352 0.125 5.643 1.00 0.00 H new ATOM 0 HG LEU A 84 122.718 -1.414 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.125 -1.315 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.953 0.318 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.568 -0.311 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.132 -3.146 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.575 -2.143 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.675 -2.819 6.021 1.00 0.00 H new ATOM 1417 N ILE A 85 124.178 1.406 8.671 1.00 0.00 N ATOM 1418 CA ILE A 85 124.670 2.450 9.615 1.00 0.00 C ATOM 1419 C ILE A 85 125.213 1.786 10.885 1.00 0.00 C ATOM 1420 O ILE A 85 126.062 2.326 11.565 1.00 0.00 O ATOM 1421 CB ILE A 85 123.443 3.315 9.925 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.267 4.354 8.815 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.633 4.035 11.263 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.869 4.970 8.903 1.00 0.00 C ATOM 0 H ILE A 85 123.242 1.562 8.297 1.00 0.00 H new ATOM 0 HA ILE A 85 125.482 3.046 9.199 1.00 0.00 H new ATOM 0 HB ILE A 85 122.561 2.678 9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.024 5.132 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.409 3.887 7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.756 4.647 11.475 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.762 3.299 12.057 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.516 4.672 11.211 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.747 5.709 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.119 4.188 8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.744 5.452 9.872 1.00 0.00 H new ATOM 1436 N LYS A 86 124.733 0.615 11.204 1.00 0.00 N ATOM 1437 CA LYS A 86 125.227 -0.085 12.425 1.00 0.00 C ATOM 1438 C LYS A 86 126.311 -1.098 12.047 1.00 0.00 C ATOM 1439 O LYS A 86 127.490 -0.832 12.164 1.00 0.00 O ATOM 1440 CB LYS A 86 124.001 -0.797 12.998 1.00 0.00 C ATOM 1441 CG LYS A 86 123.015 0.236 13.544 1.00 0.00 C ATOM 1442 CD LYS A 86 122.230 -0.372 14.708 1.00 0.00 C ATOM 1443 CE LYS A 86 121.830 0.732 15.689 1.00 0.00 C ATOM 1444 NZ LYS A 86 120.391 0.990 15.411 1.00 0.00 N ATOM 0 H LYS A 86 124.021 0.113 10.673 1.00 0.00 H new ATOM 0 HA LYS A 86 125.671 0.602 13.146 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.522 -1.398 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.303 -1.481 13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.551 1.125 13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.331 0.553 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 86 121.341 -0.880 14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.836 -1.122 15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.982 0.417 16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 86 122.429 1.630 15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.043 1.737 16.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.277 1.294 14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 119.845 0.119 15.570 1.00 0.00 H new ATOM 1458 N THR A 87 125.919 -2.258 11.593 1.00 0.00 N ATOM 1459 CA THR A 87 126.928 -3.287 11.207 1.00 0.00 C ATOM 1460 C THR A 87 127.618 -2.889 9.900 1.00 0.00 C ATOM 1461 O THR A 87 128.729 -3.297 9.624 1.00 0.00 O ATOM 1462 CB THR A 87 126.125 -4.576 11.020 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.019 -5.673 10.895 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.265 -4.468 9.761 1.00 0.00 C ATOM 0 H THR A 87 124.945 -2.538 11.473 1.00 0.00 H new ATOM 0 HA THR A 87 127.712 -3.399 11.956 1.00 0.00 H new ATOM 0 HB THR A 87 125.478 -4.730 11.884 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.507 -6.500 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.694 -5.387 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.580 -3.626 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.907 -4.313 8.894 1.00 0.00 H new ATOM 1472 N GLY A 88 126.969 -2.095 9.092 1.00 0.00 N ATOM 1473 CA GLY A 88 127.588 -1.673 7.804 1.00 0.00 C ATOM 1474 C GLY A 88 129.026 -1.216 8.052 1.00 0.00 C ATOM 1475 O GLY A 88 129.971 -1.928 7.776 1.00 0.00 O ATOM 0 H GLY A 88 126.037 -1.721 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.576 -2.500 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.010 -0.863 7.359 1.00 0.00 H new ATOM 1479 N SER A 89 129.202 -0.030 8.570 1.00 0.00 N ATOM 1480 CA SER A 89 130.581 0.472 8.834 1.00 0.00 C ATOM 1481 C SER A 89 130.528 1.869 9.458 1.00 0.00 C ATOM 1482 O SER A 89 129.570 2.597 9.292 1.00 0.00 O ATOM 1483 CB SER A 89 131.253 0.525 7.462 1.00 0.00 C ATOM 1484 OG SER A 89 132.505 1.190 7.578 1.00 0.00 O ATOM 0 H SER A 89 128.451 0.612 8.822 1.00 0.00 H new ATOM 0 HA SER A 89 131.124 -0.166 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.398 -0.484 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.614 1.049 6.751 1.00 0.00 H new ATOM 0 HG SER A 89 132.940 1.224 6.700 1.00 0.00 H new ATOM 1490 N GLU A 90 131.551 2.248 10.173 1.00 0.00 N ATOM 1491 CA GLU A 90 131.561 3.599 10.805 1.00 0.00 C ATOM 1492 C GLU A 90 131.376 4.682 9.739 1.00 0.00 C ATOM 1493 O GLU A 90 131.037 5.810 10.039 1.00 0.00 O ATOM 1494 CB GLU A 90 132.938 3.722 11.457 1.00 0.00 C ATOM 1495 CG GLU A 90 132.876 3.187 12.889 1.00 0.00 C ATOM 1496 CD GLU A 90 132.428 4.305 13.832 1.00 0.00 C ATOM 1497 OE1 GLU A 90 132.598 5.459 13.474 1.00 0.00 O ATOM 1498 OE2 GLU A 90 131.921 3.988 14.897 1.00 0.00 O ATOM 0 H GLU A 90 132.381 1.681 10.347 1.00 0.00 H new ATOM 0 HA GLU A 90 130.755 3.722 11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.676 3.164 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.258 4.764 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.182 2.349 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.854 2.812 13.191 1.00 0.00 H new ATOM 1505 N ARG A 91 131.597 4.348 8.498 1.00 0.00 N ATOM 1506 CA ARG A 91 131.434 5.357 7.415 1.00 0.00 C ATOM 1507 C ARG A 91 129.964 5.456 7.003 1.00 0.00 C ATOM 1508 O ARG A 91 129.465 6.523 6.705 1.00 0.00 O ATOM 1509 CB ARG A 91 132.284 4.835 6.255 1.00 0.00 C ATOM 1510 CG ARG A 91 133.717 4.603 6.736 1.00 0.00 C ATOM 1511 CD ARG A 91 134.567 5.837 6.427 1.00 0.00 C ATOM 1512 NE ARG A 91 135.878 5.297 5.968 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.936 6.060 5.974 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.806 7.356 6.056 1.00 0.00 N ATOM 1515 NH2 ARG A 91 138.125 5.527 5.896 1.00 0.00 N ATOM 0 H ARG A 91 131.883 3.420 8.187 1.00 0.00 H new ATOM 0 HA ARG A 91 131.743 6.354 7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.863 3.906 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.276 5.551 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.724 4.403 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.139 3.726 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.103 6.453 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.686 6.465 7.310 1.00 0.00 H new ATOM 0 HE ARG A 91 135.948 4.331 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.877 7.773 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.634 7.952 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 91 138.227 4.514 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.953 6.123 5.901 1.00 0.00 H new ATOM 1529 N VAL A 92 129.267 4.354 6.986 1.00 0.00 N ATOM 1530 CA VAL A 92 127.830 4.391 6.595 1.00 0.00 C ATOM 1531 C VAL A 92 127.049 5.300 7.548 1.00 0.00 C ATOM 1532 O VAL A 92 126.092 5.942 7.165 1.00 0.00 O ATOM 1533 CB VAL A 92 127.347 2.946 6.708 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.873 2.866 6.303 1.00 0.00 C ATOM 1535 CG2 VAL A 92 128.176 2.054 5.780 1.00 0.00 C ATOM 0 H VAL A 92 129.629 3.431 7.225 1.00 0.00 H new ATOM 0 HA VAL A 92 127.685 4.786 5.590 1.00 0.00 H new ATOM 0 HB VAL A 92 127.462 2.607 7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.529 1.835 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.280 3.499 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.759 3.207 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.830 1.023 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 92 128.062 2.394 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 92 129.226 2.108 6.066 1.00 0.00 H new ATOM 1545 N SER A 93 127.455 5.362 8.788 1.00 0.00 N ATOM 1546 CA SER A 93 126.741 6.234 9.763 1.00 0.00 C ATOM 1547 C SER A 93 127.171 7.691 9.575 1.00 0.00 C ATOM 1548 O SER A 93 126.364 8.598 9.628 1.00 0.00 O ATOM 1549 CB SER A 93 127.164 5.721 11.138 1.00 0.00 C ATOM 1550 OG SER A 93 126.648 6.585 12.142 1.00 0.00 O ATOM 0 H SER A 93 128.250 4.847 9.167 1.00 0.00 H new ATOM 0 HA SER A 93 125.659 6.202 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.794 4.707 11.290 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.251 5.677 11.204 1.00 0.00 H new ATOM 0 HG SER A 93 126.917 6.257 13.026 1.00 0.00 H new ATOM 1556 N GLN A 94 128.436 7.922 9.350 1.00 0.00 N ATOM 1557 CA GLN A 94 128.914 9.320 9.153 1.00 0.00 C ATOM 1558 C GLN A 94 128.316 9.898 7.868 1.00 0.00 C ATOM 1559 O GLN A 94 128.153 11.094 7.730 1.00 0.00 O ATOM 1560 CB GLN A 94 130.435 9.211 9.041 1.00 0.00 C ATOM 1561 CG GLN A 94 131.036 8.997 10.432 1.00 0.00 C ATOM 1562 CD GLN A 94 132.551 9.197 10.370 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.034 10.307 10.478 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.327 8.162 10.201 1.00 0.00 N ATOM 0 H GLN A 94 129.158 7.204 9.294 1.00 0.00 H new ATOM 0 HA GLN A 94 128.618 9.980 9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.703 8.382 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 94 130.843 10.117 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.595 9.697 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 94 130.805 7.993 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.922 7.230 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.339 8.285 10.160 1.00 0.00 H new ATOM 1573 N GLN A 95 127.980 9.057 6.930 1.00 0.00 N ATOM 1574 CA GLN A 95 127.384 9.558 5.659 1.00 0.00 C ATOM 1575 C GLN A 95 125.929 9.961 5.901 1.00 0.00 C ATOM 1576 O GLN A 95 125.436 10.919 5.337 1.00 0.00 O ATOM 1577 CB GLN A 95 127.462 8.379 4.689 1.00 0.00 C ATOM 1578 CG GLN A 95 126.779 8.752 3.372 1.00 0.00 C ATOM 1579 CD GLN A 95 127.841 9.012 2.302 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.795 8.441 1.230 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.804 9.859 2.548 1.00 0.00 N ATOM 0 H GLN A 95 128.092 8.045 6.988 1.00 0.00 H new ATOM 0 HA GLN A 95 127.903 10.433 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.503 8.113 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 95 126.980 7.504 5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.116 7.948 3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.161 9.639 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 95 128.844 10.339 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.516 10.041 1.841 1.00 0.00 H new ATOM 1590 N CYS A 96 125.240 9.241 6.743 1.00 0.00 N ATOM 1591 CA CYS A 96 123.821 9.589 7.028 1.00 0.00 C ATOM 1592 C CYS A 96 123.755 10.944 7.731 1.00 0.00 C ATOM 1593 O CYS A 96 122.877 11.744 7.478 1.00 0.00 O ATOM 1594 CB CYS A 96 123.311 8.476 7.945 1.00 0.00 C ATOM 1595 SG CYS A 96 122.468 7.220 6.952 1.00 0.00 S ATOM 0 H CYS A 96 125.598 8.428 7.245 1.00 0.00 H new ATOM 0 HA CYS A 96 123.219 9.667 6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.143 8.028 8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 96 122.628 8.887 8.689 1.00 0.00 H new ATOM 0 HG CYS A 96 121.304 7.667 6.584 1.00 0.00 H new ATOM 1601 N LYS A 97 124.687 11.213 8.602 1.00 0.00 N ATOM 1602 CA LYS A 97 124.684 12.524 9.309 1.00 0.00 C ATOM 1603 C LYS A 97 125.109 13.630 8.341 1.00 0.00 C ATOM 1604 O LYS A 97 124.716 14.772 8.472 1.00 0.00 O ATOM 1605 CB LYS A 97 125.701 12.374 10.444 1.00 0.00 C ATOM 1606 CG LYS A 97 127.073 12.037 9.862 1.00 0.00 C ATOM 1607 CD LYS A 97 128.150 12.310 10.913 1.00 0.00 C ATOM 1608 CE LYS A 97 127.791 11.583 12.210 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.205 12.632 13.091 1.00 0.00 N ATOM 0 H LYS A 97 125.449 10.584 8.855 1.00 0.00 H new ATOM 0 HA LYS A 97 123.699 12.790 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 97 125.756 13.297 11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 97 125.383 11.589 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 97 127.104 10.991 9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 97 127.259 12.635 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 97 129.121 11.972 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 97 128.233 13.382 11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 97 127.079 10.778 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.672 11.132 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.591 12.534 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 127.444 13.573 12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 126.171 12.523 13.120 1.00 0.00 H new ATOM 1623 N GLU A 98 125.902 13.292 7.359 1.00 0.00 N ATOM 1624 CA GLU A 98 126.345 14.313 6.369 1.00 0.00 C ATOM 1625 C GLU A 98 125.193 14.625 5.413 1.00 0.00 C ATOM 1626 O GLU A 98 125.069 15.720 4.902 1.00 0.00 O ATOM 1627 CB GLU A 98 127.507 13.662 5.619 1.00 0.00 C ATOM 1628 CG GLU A 98 128.672 13.435 6.582 1.00 0.00 C ATOM 1629 CD GLU A 98 129.599 14.652 6.557 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.090 15.758 6.471 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.802 14.458 6.625 1.00 0.00 O ATOM 0 H GLU A 98 126.262 12.351 7.201 1.00 0.00 H new ATOM 0 HA GLU A 98 126.645 15.251 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.189 12.713 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 98 127.823 14.299 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.296 13.271 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.223 12.539 6.298 1.00 0.00 H new ATOM 1638 N ASN A 99 124.345 13.663 5.177 1.00 0.00 N ATOM 1639 CA ASN A 99 123.191 13.882 4.267 1.00 0.00 C ATOM 1640 C ASN A 99 121.885 13.733 5.050 1.00 0.00 C ATOM 1641 O ASN A 99 120.949 13.102 4.603 1.00 0.00 O ATOM 1642 CB ASN A 99 123.308 12.795 3.200 1.00 0.00 C ATOM 1643 CG ASN A 99 122.566 13.240 1.938 1.00 0.00 C ATOM 1644 OD1 ASN A 99 121.987 14.307 1.905 1.00 0.00 O ATOM 1645 ND2 ASN A 99 122.558 12.461 0.891 1.00 0.00 N ATOM 0 H ASN A 99 124.404 12.728 5.580 1.00 0.00 H new ATOM 0 HA ASN A 99 123.191 14.878 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.357 12.606 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.889 11.859 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 99 122.066 12.748 0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 99 123.044 11.565 0.918 1.00 0.00 H new ATOM 1652 N MET A 100 121.821 14.309 6.219 1.00 0.00 N ATOM 1653 CA MET A 100 120.579 14.202 7.038 1.00 0.00 C ATOM 1654 C MET A 100 119.399 14.830 6.295 1.00 0.00 C ATOM 1655 O MET A 100 118.264 14.429 6.462 1.00 0.00 O ATOM 1656 CB MET A 100 120.884 14.979 8.320 1.00 0.00 C ATOM 1657 CG MET A 100 120.179 14.308 9.501 1.00 0.00 C ATOM 1658 SD MET A 100 121.313 14.223 10.910 1.00 0.00 S ATOM 1659 CE MET A 100 120.280 15.129 12.087 1.00 0.00 C ATOM 0 H MET A 100 122.575 14.849 6.643 1.00 0.00 H new ATOM 0 HA MET A 100 120.307 13.167 7.244 1.00 0.00 H new ATOM 0 HB2 MET A 100 121.960 15.008 8.493 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.549 16.011 8.221 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.286 14.870 9.773 1.00 0.00 H new ATOM 0 HG3 MET A 100 119.852 13.306 9.222 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.290 14.617 13.049 1.00 0.00 H new ATOM 0 HE2 MET A 100 120.669 16.140 12.210 1.00 0.00 H new ATOM 0 HE3 MET A 100 119.258 15.177 11.712 1.00 0.00 H new ATOM 1669 N TYR A 101 119.656 15.807 5.470 1.00 0.00 N ATOM 1670 CA TYR A 101 118.545 16.453 4.714 1.00 0.00 C ATOM 1671 C TYR A 101 117.943 15.454 3.724 1.00 0.00 C ATOM 1672 O TYR A 101 116.798 15.563 3.336 1.00 0.00 O ATOM 1673 CB TYR A 101 119.193 17.621 3.972 1.00 0.00 C ATOM 1674 CG TYR A 101 119.702 18.634 4.970 1.00 0.00 C ATOM 1675 CD1 TYR A 101 118.805 19.289 5.823 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.071 18.918 5.042 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.279 20.229 6.748 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.543 19.858 5.966 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.647 20.513 6.819 1.00 0.00 C ATOM 1680 OH TYR A 101 121.114 21.440 7.730 1.00 0.00 O ATOM 0 H TYR A 101 120.585 16.186 5.286 1.00 0.00 H new ATOM 0 HA TYR A 101 117.738 16.788 5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.014 17.261 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.469 18.086 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.749 19.070 5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.763 18.412 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.588 20.734 7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.599 20.078 6.021 1.00 0.00 H new ATOM 0 HH TYR A 101 122.088 21.517 7.648 1.00 0.00 H new ATOM 1690 N ALA A 102 118.710 14.479 3.318 1.00 0.00 N ATOM 1691 CA ALA A 102 118.189 13.467 2.356 1.00 0.00 C ATOM 1692 C ALA A 102 117.291 12.465 3.082 1.00 0.00 C ATOM 1693 O ALA A 102 116.252 12.072 2.589 1.00 0.00 O ATOM 1694 CB ALA A 102 119.434 12.769 1.808 1.00 0.00 C ATOM 0 H ALA A 102 119.677 14.340 3.612 1.00 0.00 H new ATOM 0 HA ALA A 102 117.590 13.917 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.136 12.006 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.074 13.501 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.980 12.302 2.628 1.00 0.00 H new ATOM 1700 N VAL A 103 117.685 12.051 4.252 1.00 0.00 N ATOM 1701 CA VAL A 103 116.858 11.072 5.017 1.00 0.00 C ATOM 1702 C VAL A 103 115.598 11.754 5.557 1.00 0.00 C ATOM 1703 O VAL A 103 114.562 11.137 5.705 1.00 0.00 O ATOM 1704 CB VAL A 103 117.751 10.611 6.170 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.172 9.335 6.784 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.160 10.328 5.646 1.00 0.00 C ATOM 0 H VAL A 103 118.545 12.347 4.714 1.00 0.00 H new ATOM 0 HA VAL A 103 116.529 10.238 4.397 1.00 0.00 H new ATOM 0 HB VAL A 103 117.796 11.393 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.808 9.006 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.168 9.535 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.127 8.554 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.795 10.000 6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.116 9.547 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.574 11.236 5.208 1.00 0.00 H new ATOM 1716 N GLN A 104 115.680 13.022 5.856 1.00 0.00 N ATOM 1717 CA GLN A 104 114.490 13.741 6.390 1.00 0.00 C ATOM 1718 C GLN A 104 113.628 14.274 5.242 1.00 0.00 C ATOM 1719 O GLN A 104 112.464 14.576 5.419 1.00 0.00 O ATOM 1720 CB GLN A 104 115.061 14.893 7.213 1.00 0.00 C ATOM 1721 CG GLN A 104 115.785 14.332 8.439 1.00 0.00 C ATOM 1722 CD GLN A 104 114.890 14.481 9.671 1.00 0.00 C ATOM 1723 OE1 GLN A 104 114.800 15.547 10.246 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.219 13.448 10.104 1.00 0.00 N ATOM 0 H GLN A 104 116.520 13.591 5.753 1.00 0.00 H new ATOM 0 HA GLN A 104 113.850 13.091 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.751 15.481 6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.260 15.563 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.032 13.282 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.726 14.861 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.294 12.552 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 104 113.620 13.537 10.925 1.00 0.00 H new ATOM 1733 N THR A 105 114.186 14.393 4.070 1.00 0.00 N ATOM 1734 CA THR A 105 113.389 14.906 2.919 1.00 0.00 C ATOM 1735 C THR A 105 112.122 14.064 2.745 1.00 0.00 C ATOM 1736 O THR A 105 111.169 14.478 2.116 1.00 0.00 O ATOM 1737 CB THR A 105 114.306 14.759 1.701 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.782 15.521 0.623 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.390 13.287 1.295 1.00 0.00 C ATOM 0 H THR A 105 115.156 14.158 3.859 1.00 0.00 H new ATOM 0 HA THR A 105 113.070 15.938 3.062 1.00 0.00 H new ATOM 0 HB THR A 105 115.304 15.120 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.368 15.430 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.043 13.185 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 105 114.793 12.704 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.394 12.921 1.044 1.00 0.00 H new ATOM 1747 N LEU A 106 112.108 12.884 3.302 1.00 0.00 N ATOM 1748 CA LEU A 106 110.905 12.012 3.174 1.00 0.00 C ATOM 1749 C LEU A 106 109.827 12.454 4.165 1.00 0.00 C ATOM 1750 O LEU A 106 108.646 12.399 3.879 1.00 0.00 O ATOM 1751 CB LEU A 106 111.402 10.605 3.512 1.00 0.00 C ATOM 1752 CG LEU A 106 112.327 10.112 2.399 1.00 0.00 C ATOM 1753 CD1 LEU A 106 112.962 8.781 2.811 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.516 9.916 1.116 1.00 0.00 C ATOM 0 H LEU A 106 112.877 12.486 3.840 1.00 0.00 H new ATOM 0 HA LEU A 106 110.461 12.060 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 106 111.933 10.614 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 106 110.557 9.926 3.625 1.00 0.00 H new ATOM 0 HG LEU A 106 113.112 10.848 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.621 8.431 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.538 8.921 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.179 8.043 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.173 9.564 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.731 9.180 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.065 10.864 0.822 1.00 0.00 H new ATOM 1766 N LYS A 107 110.222 12.894 5.327 1.00 0.00 N ATOM 1767 CA LYS A 107 109.221 13.341 6.336 1.00 0.00 C ATOM 1768 C LYS A 107 108.268 14.372 5.720 1.00 0.00 C ATOM 1769 O LYS A 107 107.193 14.620 6.228 1.00 0.00 O ATOM 1770 CB LYS A 107 110.046 13.976 7.458 1.00 0.00 C ATOM 1771 CG LYS A 107 110.557 15.346 7.009 1.00 0.00 C ATOM 1772 CD LYS A 107 109.618 16.437 7.528 1.00 0.00 C ATOM 1773 CE LYS A 107 109.924 16.718 9.001 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.877 17.683 9.434 1.00 0.00 N ATOM 0 H LYS A 107 111.196 12.964 5.622 1.00 0.00 H new ATOM 0 HA LYS A 107 108.605 12.518 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 107 109.437 14.081 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.886 13.330 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 107 111.566 15.511 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.612 15.386 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.741 17.347 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.581 16.122 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.887 15.804 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 107 110.923 17.137 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.020 17.924 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 108.941 18.546 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 107.938 17.254 9.312 1.00 0.00 H new ATOM 1987 N VAL A 121 102.770 7.479 4.824 1.00 0.00 N ATOM 1988 CA VAL A 121 103.311 7.877 6.150 1.00 0.00 C ATOM 1989 C VAL A 121 104.403 6.902 6.587 1.00 0.00 C ATOM 1990 O VAL A 121 105.436 7.294 7.093 1.00 0.00 O ATOM 1991 CB VAL A 121 102.112 7.809 7.096 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.817 6.353 7.465 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.420 8.606 8.365 1.00 0.00 C ATOM 0 HA VAL A 121 103.763 8.869 6.137 1.00 0.00 H new ATOM 0 HB VAL A 121 101.240 8.233 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.961 6.315 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.592 5.787 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.687 5.919 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.566 8.559 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.296 8.183 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.618 9.645 8.103 1.00 0.00 H new ATOM 2003 N ASN A 122 104.174 5.633 6.394 1.00 0.00 N ATOM 2004 CA ASN A 122 105.187 4.611 6.794 1.00 0.00 C ATOM 2005 C ASN A 122 106.600 5.111 6.482 1.00 0.00 C ATOM 2006 O ASN A 122 107.547 4.791 7.171 1.00 0.00 O ATOM 2007 CB ASN A 122 104.857 3.378 5.953 1.00 0.00 C ATOM 2008 CG ASN A 122 104.932 2.127 6.830 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.660 2.183 8.012 1.00 0.00 O ATOM 2010 ND2 ASN A 122 105.293 0.992 6.297 1.00 0.00 N ATOM 0 H ASN A 122 103.324 5.256 5.974 1.00 0.00 H new ATOM 0 HA ASN A 122 105.157 4.397 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.860 3.474 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.556 3.294 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 122 105.347 0.152 6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.522 0.945 5.304 1.00 0.00 H new ATOM 2017 N VAL A 123 106.747 5.894 5.450 1.00 0.00 N ATOM 2018 CA VAL A 123 108.097 6.416 5.095 1.00 0.00 C ATOM 2019 C VAL A 123 108.413 7.662 5.933 1.00 0.00 C ATOM 2020 O VAL A 123 109.439 7.751 6.571 1.00 0.00 O ATOM 2021 CB VAL A 123 107.997 6.757 3.601 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.951 7.901 3.245 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.367 5.520 2.779 1.00 0.00 C ATOM 0 H VAL A 123 105.990 6.196 4.836 1.00 0.00 H new ATOM 0 HA VAL A 123 108.896 5.702 5.292 1.00 0.00 H new ATOM 0 HB VAL A 123 106.976 7.068 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.866 8.128 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.692 8.785 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.975 7.605 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.298 5.755 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.386 5.216 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.681 4.707 3.016 1.00 0.00 H new ATOM 2033 N ARG A 124 107.537 8.625 5.929 1.00 0.00 N ATOM 2034 CA ARG A 124 107.785 9.868 6.716 1.00 0.00 C ATOM 2035 C ARG A 124 108.307 9.540 8.119 1.00 0.00 C ATOM 2036 O ARG A 124 109.218 10.172 8.618 1.00 0.00 O ATOM 2037 CB ARG A 124 106.419 10.549 6.806 1.00 0.00 C ATOM 2038 CG ARG A 124 106.483 11.923 6.138 1.00 0.00 C ATOM 2039 CD ARG A 124 105.092 12.314 5.638 1.00 0.00 C ATOM 2040 NE ARG A 124 104.319 12.630 6.871 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.379 13.534 6.837 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.612 13.639 5.786 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.204 14.331 7.854 1.00 0.00 N ATOM 0 H ARG A 124 106.657 8.607 5.414 1.00 0.00 H new ATOM 0 HA ARG A 124 108.540 10.500 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.662 9.933 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.123 10.655 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.848 12.667 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 124 107.187 11.902 5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.139 13.174 4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.630 11.501 5.079 1.00 0.00 H new ATOM 0 HE ARG A 124 104.524 12.140 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 124 102.748 13.014 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.877 14.346 5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.802 14.248 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 124 102.469 15.038 7.827 1.00 0.00 H new ATOM 2057 N GLU A 125 107.724 8.572 8.766 1.00 0.00 N ATOM 2058 CA GLU A 125 108.168 8.220 10.148 1.00 0.00 C ATOM 2059 C GLU A 125 109.443 7.367 10.136 1.00 0.00 C ATOM 2060 O GLU A 125 110.366 7.616 10.884 1.00 0.00 O ATOM 2061 CB GLU A 125 107.002 7.432 10.745 1.00 0.00 C ATOM 2062 CG GLU A 125 105.860 8.390 11.094 1.00 0.00 C ATOM 2063 CD GLU A 125 106.211 9.159 12.369 1.00 0.00 C ATOM 2064 OE1 GLU A 125 107.382 9.193 12.714 1.00 0.00 O ATOM 2065 OE2 GLU A 125 105.305 9.701 12.979 1.00 0.00 O ATOM 0 H GLU A 125 106.958 8.007 8.400 1.00 0.00 H new ATOM 0 HA GLU A 125 108.412 9.111 10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.656 6.681 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.329 6.899 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.691 9.086 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 125 104.934 7.833 11.236 1.00 0.00 H new ATOM 2072 N LYS A 126 109.504 6.361 9.308 1.00 0.00 N ATOM 2073 CA LYS A 126 110.727 5.505 9.280 1.00 0.00 C ATOM 2074 C LYS A 126 111.970 6.371 9.078 1.00 0.00 C ATOM 2075 O LYS A 126 112.906 6.326 9.853 1.00 0.00 O ATOM 2076 CB LYS A 126 110.529 4.562 8.093 1.00 0.00 C ATOM 2077 CG LYS A 126 111.130 3.194 8.422 1.00 0.00 C ATOM 2078 CD LYS A 126 112.113 2.792 7.322 1.00 0.00 C ATOM 2079 CE LYS A 126 113.301 2.054 7.942 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.699 0.905 8.675 1.00 0.00 N ATOM 0 H LYS A 126 108.768 6.095 8.654 1.00 0.00 H new ATOM 0 HA LYS A 126 110.869 4.957 10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.467 4.460 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.004 4.975 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.640 3.231 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 126 110.339 2.449 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 126 111.616 2.154 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.460 3.677 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 126 113.997 1.713 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.861 2.703 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.395 0.136 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 112.420 1.210 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.861 0.566 8.161 1.00 0.00 H new ATOM 2094 N ALA A 127 111.984 7.158 8.042 1.00 0.00 N ATOM 2095 CA ALA A 127 113.161 8.033 7.781 1.00 0.00 C ATOM 2096 C ALA A 127 113.452 8.913 8.999 1.00 0.00 C ATOM 2097 O ALA A 127 114.586 9.072 9.406 1.00 0.00 O ATOM 2098 CB ALA A 127 112.752 8.893 6.585 1.00 0.00 C ATOM 0 H ALA A 127 111.229 7.234 7.361 1.00 0.00 H new ATOM 0 HA ALA A 127 114.066 7.459 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.567 9.569 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.531 8.250 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.866 9.474 6.841 1.00 0.00 H new ATOM 2104 N LYS A 128 112.437 9.488 9.585 1.00 0.00 N ATOM 2105 CA LYS A 128 112.659 10.359 10.776 1.00 0.00 C ATOM 2106 C LYS A 128 113.342 9.570 11.898 1.00 0.00 C ATOM 2107 O LYS A 128 114.142 10.097 12.644 1.00 0.00 O ATOM 2108 CB LYS A 128 111.260 10.797 11.208 1.00 0.00 C ATOM 2109 CG LYS A 128 111.369 11.756 12.395 1.00 0.00 C ATOM 2110 CD LYS A 128 110.693 13.083 12.046 1.00 0.00 C ATOM 2111 CE LYS A 128 111.056 14.134 13.097 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.318 15.361 12.686 1.00 0.00 N ATOM 0 H LYS A 128 111.465 9.393 9.292 1.00 0.00 H new ATOM 0 HA LYS A 128 113.305 11.207 10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.748 11.285 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.664 9.927 11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 128 110.898 11.317 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 128 112.417 11.924 12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 128 111.011 13.416 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.612 12.953 12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.761 13.812 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 128 112.131 14.310 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 110.517 16.128 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 110.624 15.648 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 109.297 15.165 12.676 1.00 0.00 H new ATOM 2126 N GLN A 129 113.028 8.310 12.024 1.00 0.00 N ATOM 2127 CA GLN A 129 113.652 7.487 13.102 1.00 0.00 C ATOM 2128 C GLN A 129 115.139 7.257 12.818 1.00 0.00 C ATOM 2129 O GLN A 129 115.987 7.523 13.647 1.00 0.00 O ATOM 2130 CB GLN A 129 112.893 6.159 13.074 1.00 0.00 C ATOM 2131 CG GLN A 129 111.765 6.190 14.107 1.00 0.00 C ATOM 2132 CD GLN A 129 111.483 4.768 14.596 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.519 4.502 15.781 1.00 0.00 O ATOM 2134 NE2 GLN A 129 111.203 3.837 13.726 1.00 0.00 N ATOM 0 H GLN A 129 112.366 7.813 11.428 1.00 0.00 H new ATOM 0 HA GLN A 129 113.592 7.977 14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.484 5.984 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.574 5.335 13.289 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.044 6.826 14.947 1.00 0.00 H new ATOM 0 HG3 GLN A 129 110.865 6.620 13.666 1.00 0.00 H new ATOM 0 HE21 GLN A 129 111.173 4.061 12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 129 111.014 2.885 14.040 1.00 0.00 H new ATOM 2143 N LEU A 130 115.465 6.757 11.656 1.00 0.00 N ATOM 2144 CA LEU A 130 116.901 6.506 11.335 1.00 0.00 C ATOM 2145 C LEU A 130 117.751 7.726 11.700 1.00 0.00 C ATOM 2146 O LEU A 130 118.889 7.602 12.104 1.00 0.00 O ATOM 2147 CB LEU A 130 116.937 6.251 9.826 1.00 0.00 C ATOM 2148 CG LEU A 130 118.261 5.575 9.457 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.004 4.464 8.435 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.209 6.612 8.853 1.00 0.00 C ATOM 0 H LEU A 130 114.804 6.513 10.919 1.00 0.00 H new ATOM 0 HA LEU A 130 117.305 5.664 11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.099 5.619 9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.832 7.191 9.284 1.00 0.00 H new ATOM 0 HG LEU A 130 118.710 5.146 10.352 1.00 0.00 H new ATOM 0 HD11 LEU A 130 118.947 3.984 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.328 3.725 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.554 4.891 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.152 6.133 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 130 118.757 7.040 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.394 7.403 9.580 1.00 0.00 H new ATOM 2162 N VAL A 131 117.207 8.902 11.562 1.00 0.00 N ATOM 2163 CA VAL A 131 117.985 10.129 11.903 1.00 0.00 C ATOM 2164 C VAL A 131 118.036 10.322 13.422 1.00 0.00 C ATOM 2165 O VAL A 131 119.021 10.782 13.966 1.00 0.00 O ATOM 2166 CB VAL A 131 117.223 11.278 11.244 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.993 12.584 11.454 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.088 11.003 9.746 1.00 0.00 C ATOM 0 H VAL A 131 116.258 9.069 11.228 1.00 0.00 H new ATOM 0 HA VAL A 131 119.017 10.071 11.556 1.00 0.00 H new ATOM 0 HB VAL A 131 116.232 11.363 11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.451 13.405 10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 131 118.094 12.779 12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.983 12.499 11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.545 11.821 9.273 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.079 10.920 9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.544 10.071 9.595 1.00 0.00 H new ATOM 2178 N ALA A 132 116.982 9.979 14.109 1.00 0.00 N ATOM 2179 CA ALA A 132 116.967 10.147 15.591 1.00 0.00 C ATOM 2180 C ALA A 132 118.129 9.384 16.234 1.00 0.00 C ATOM 2181 O ALA A 132 118.861 9.918 17.043 1.00 0.00 O ATOM 2182 CB ALA A 132 115.629 9.560 16.042 1.00 0.00 C ATOM 0 H ALA A 132 116.129 9.589 13.709 1.00 0.00 H new ATOM 0 HA ALA A 132 117.079 11.191 15.884 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.541 9.646 17.125 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.814 10.106 15.567 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.578 8.510 15.756 1.00 0.00 H new ATOM 2188 N LEU A 133 118.302 8.138 15.886 1.00 0.00 N ATOM 2189 CA LEU A 133 119.414 7.345 16.486 1.00 0.00 C ATOM 2190 C LEU A 133 120.765 7.979 16.150 1.00 0.00 C ATOM 2191 O LEU A 133 121.541 8.309 17.024 1.00 0.00 O ATOM 2192 CB LEU A 133 119.300 5.959 15.850 1.00 0.00 C ATOM 2193 CG LEU A 133 117.944 5.344 16.202 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.519 4.380 15.094 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.058 4.584 17.525 1.00 0.00 C ATOM 0 H LEU A 133 117.723 7.635 15.214 1.00 0.00 H new ATOM 0 HA LEU A 133 119.348 7.303 17.573 1.00 0.00 H new ATOM 0 HB2 LEU A 133 119.407 6.034 14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 133 120.106 5.317 16.206 1.00 0.00 H new ATOM 0 HG LEU A 133 117.200 6.134 16.300 1.00 0.00 H new ATOM 0 HD11 LEU A 133 116.553 3.941 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.439 4.922 14.152 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.262 3.589 14.995 1.00 0.00 H new ATOM 0 HD21 LEU A 133 117.093 4.145 17.777 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.802 3.793 17.427 1.00 0.00 H new ATOM 0 HD23 LEU A 133 118.361 5.272 18.315 1.00 0.00 H new ATOM 2207 N LEU A 134 121.055 8.150 14.889 1.00 0.00 N ATOM 2208 CA LEU A 134 122.359 8.760 14.502 1.00 0.00 C ATOM 2209 C LEU A 134 122.564 10.087 15.239 1.00 0.00 C ATOM 2210 O LEU A 134 123.675 10.555 15.395 1.00 0.00 O ATOM 2211 CB LEU A 134 122.256 8.994 12.994 1.00 0.00 C ATOM 2212 CG LEU A 134 122.833 7.788 12.251 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.691 6.913 11.734 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.674 8.273 11.068 1.00 0.00 C ATOM 0 H LEU A 134 120.447 7.894 14.111 1.00 0.00 H new ATOM 0 HA LEU A 134 123.205 8.122 14.758 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.215 9.146 12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.798 9.898 12.718 1.00 0.00 H new ATOM 0 HG LEU A 134 123.458 7.209 12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.102 6.054 11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 134 121.088 6.567 12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.067 7.493 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.086 7.414 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.048 8.852 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.489 8.899 11.433 1.00 0.00 H new