USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 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 -138:sc= -0.542 (180deg=-2.19!) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.57 K(o=-4.8,f=-8.1!) USER MOD Set 1.3: A 96 CYS SG : rot 98:sc= -3.68! USER MOD Set 2.1: A 41 SER OG : rot 53:sc= 0.176 USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= 0.0052 (180deg=-0.547) USER MOD Single : A 28 THR OG1 : rot -14:sc= -1.77! USER MOD Single : A 40 MET CE :methyl -145:sc= 0 (180deg=-1.5) USER MOD Single : A 47 THR OG1 : rot -78:sc= -2.41! USER MOD Single : A 48 TYR OH : rot 135:sc= 0.745 USER MOD Single : A 49 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 108:sc= 0.834 USER MOD Single : A 59 MET CE :methyl 145:sc=-0.00232 (180deg=-1.12) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0.0366 (180deg=0.0279) USER MOD Single : A 65 ASN : amide:sc= -0.0291 K(o=-0.029,f=-0.8) USER MOD Single : A 73 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.24) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -133:sc= -10.8! (180deg=-17.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -161:sc= -6.11! (180deg=-8.11!) 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= -0.0171 USER MOD Single : A 93 SER OG : rot 180:sc= -1.15 USER MOD Single : A 94 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.045) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 100 MET CE :methyl -158:sc= -0.25 (180deg=-1.61!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 126 LYS NZ :NH3+ -161:sc= 0.35 (180deg=0.298) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.895 -5.957 -6.644 1.00 0.00 N ATOM 356 CA GLU A 19 128.441 -6.161 -6.909 1.00 0.00 C ATOM 357 C GLU A 19 127.605 -5.594 -5.759 1.00 0.00 C ATOM 358 O GLU A 19 126.473 -5.986 -5.554 1.00 0.00 O ATOM 359 CB GLU A 19 128.265 -7.677 -7.003 1.00 0.00 C ATOM 360 CG GLU A 19 128.961 -8.196 -8.262 1.00 0.00 C ATOM 361 CD GLU A 19 128.181 -9.387 -8.823 1.00 0.00 C ATOM 362 OE1 GLU A 19 127.055 -9.185 -9.247 1.00 0.00 O ATOM 363 OE2 GLU A 19 128.723 -10.480 -8.819 1.00 0.00 O ATOM 0 HA GLU A 19 128.113 -5.654 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.684 -8.158 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.205 -7.929 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.023 -7.404 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.983 -8.495 -8.028 1.00 0.00 H new ATOM 370 N ALA A 20 128.147 -4.674 -5.010 1.00 0.00 N ATOM 371 CA ALA A 20 127.374 -4.088 -3.877 1.00 0.00 C ATOM 372 C ALA A 20 126.177 -3.298 -4.411 1.00 0.00 C ATOM 373 O ALA A 20 125.071 -3.429 -3.926 1.00 0.00 O ATOM 374 CB ALA A 20 128.353 -3.159 -3.159 1.00 0.00 C ATOM 0 H ALA A 20 129.089 -4.303 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 20 126.980 -4.853 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.854 -2.690 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.208 -3.735 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.696 -2.389 -3.849 1.00 0.00 H new ATOM 380 N GLU A 21 126.385 -2.481 -5.408 1.00 0.00 N ATOM 381 CA GLU A 21 125.251 -1.690 -5.968 1.00 0.00 C ATOM 382 C GLU A 21 124.082 -2.618 -6.307 1.00 0.00 C ATOM 383 O GLU A 21 122.933 -2.224 -6.273 1.00 0.00 O ATOM 384 CB GLU A 21 125.806 -1.040 -7.237 1.00 0.00 C ATOM 385 CG GLU A 21 126.225 -2.129 -8.227 1.00 0.00 C ATOM 386 CD GLU A 21 126.804 -1.479 -9.486 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.921 -0.995 -9.418 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.119 -1.477 -10.496 1.00 0.00 O ATOM 0 H GLU A 21 127.287 -2.327 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 21 124.876 -0.948 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.052 -0.395 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.660 -0.409 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.966 -2.785 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.367 -2.749 -8.487 1.00 0.00 H new ATOM 395 N ILE A 22 124.367 -3.850 -6.631 1.00 0.00 N ATOM 396 CA ILE A 22 123.272 -4.805 -6.970 1.00 0.00 C ATOM 397 C ILE A 22 122.617 -5.327 -5.688 1.00 0.00 C ATOM 398 O ILE A 22 121.409 -5.355 -5.563 1.00 0.00 O ATOM 399 CB ILE A 22 123.958 -5.943 -7.724 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.716 -5.374 -8.926 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.906 -6.941 -8.212 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.486 -6.498 -9.623 1.00 0.00 C ATOM 0 H ILE A 22 125.310 -4.237 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 22 122.485 -4.341 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 22 124.657 -6.449 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.018 -4.910 -9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.405 -4.595 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.396 -7.753 -8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.365 -7.347 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.206 -6.436 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.026 -6.093 -10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.195 -6.941 -8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 22 124.786 -7.261 -9.963 1.00 0.00 H new ATOM 414 N LYS A 23 123.407 -5.739 -4.735 1.00 0.00 N ATOM 415 CA LYS A 23 122.831 -6.258 -3.460 1.00 0.00 C ATOM 416 C LYS A 23 121.946 -5.192 -2.810 1.00 0.00 C ATOM 417 O LYS A 23 120.988 -5.499 -2.128 1.00 0.00 O ATOM 418 CB LYS A 23 124.042 -6.565 -2.579 1.00 0.00 C ATOM 419 CG LYS A 23 123.878 -7.948 -1.947 1.00 0.00 C ATOM 420 CD LYS A 23 125.251 -8.603 -1.785 1.00 0.00 C ATOM 421 CE LYS A 23 125.511 -9.544 -2.964 1.00 0.00 C ATOM 422 NZ LYS A 23 126.445 -10.576 -2.432 1.00 0.00 N ATOM 0 H LYS A 23 124.426 -5.739 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 23 122.206 -7.138 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.955 -6.531 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 23 124.140 -5.808 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 23 123.389 -7.860 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 23 123.238 -8.571 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 126.027 -7.839 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 125.293 -9.158 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.585 -9.995 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.951 -9.010 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 127.041 -10.936 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 127.048 -10.153 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.899 -11.360 -2.021 1.00 0.00 H new ATOM 436 N VAL A 24 122.256 -3.942 -3.018 1.00 0.00 N ATOM 437 CA VAL A 24 121.430 -2.856 -2.415 1.00 0.00 C ATOM 438 C VAL A 24 120.155 -2.652 -3.237 1.00 0.00 C ATOM 439 O VAL A 24 119.080 -2.474 -2.700 1.00 0.00 O ATOM 440 CB VAL A 24 122.311 -1.608 -2.470 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.463 -0.370 -2.173 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.425 -1.722 -1.425 1.00 0.00 C ATOM 0 H VAL A 24 123.046 -3.625 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 24 121.120 -3.087 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 24 122.750 -1.519 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.092 0.520 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.669 -0.286 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.023 -0.460 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.053 -0.832 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.985 -1.812 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.031 -2.603 -1.634 1.00 0.00 H new ATOM 452 N ARG A 25 120.267 -2.680 -4.537 1.00 0.00 N ATOM 453 CA ARG A 25 119.059 -2.490 -5.390 1.00 0.00 C ATOM 454 C ARG A 25 117.988 -3.514 -5.014 1.00 0.00 C ATOM 455 O ARG A 25 116.819 -3.198 -4.911 1.00 0.00 O ATOM 456 CB ARG A 25 119.544 -2.718 -6.823 1.00 0.00 C ATOM 457 CG ARG A 25 118.403 -2.429 -7.801 1.00 0.00 C ATOM 458 CD ARG A 25 117.543 -3.685 -7.966 1.00 0.00 C ATOM 459 NE ARG A 25 117.204 -3.732 -9.416 1.00 0.00 N ATOM 460 CZ ARG A 25 117.473 -4.801 -10.113 1.00 0.00 C ATOM 461 NH1 ARG A 25 116.751 -5.878 -9.960 1.00 0.00 N ATOM 462 NH2 ARG A 25 118.464 -4.795 -10.962 1.00 0.00 N ATOM 0 H ARG A 25 121.140 -2.826 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 25 118.614 -1.503 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.394 -2.070 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.888 -3.745 -6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.794 -1.604 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.806 -2.121 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.086 -4.579 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.644 -3.631 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 25 116.762 -2.929 -9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 25 115.977 -5.883 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 25 116.961 -6.714 -10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.029 -3.954 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.674 -5.631 -11.507 1.00 0.00 H new ATOM 476 N GLU A 26 118.380 -4.738 -4.802 1.00 0.00 N ATOM 477 CA GLU A 26 117.390 -5.786 -4.425 1.00 0.00 C ATOM 478 C GLU A 26 116.989 -5.625 -2.957 1.00 0.00 C ATOM 479 O GLU A 26 115.882 -5.939 -2.567 1.00 0.00 O ATOM 480 CB GLU A 26 118.115 -7.115 -4.644 1.00 0.00 C ATOM 481 CG GLU A 26 117.400 -7.912 -5.736 1.00 0.00 C ATOM 482 CD GLU A 26 117.950 -9.339 -5.772 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.160 -9.487 -5.757 1.00 0.00 O ATOM 484 OE2 GLU A 26 117.150 -10.259 -5.814 1.00 0.00 O ATOM 0 H GLU A 26 119.345 -5.060 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 26 116.475 -5.723 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.151 -6.933 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.136 -7.687 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.327 -7.930 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 26 117.543 -7.432 -6.704 1.00 0.00 H new ATOM 491 N ALA A 27 117.881 -5.133 -2.140 1.00 0.00 N ATOM 492 CA ALA A 27 117.549 -4.946 -0.699 1.00 0.00 C ATOM 493 C ALA A 27 116.464 -3.879 -0.546 1.00 0.00 C ATOM 494 O ALA A 27 115.832 -3.762 0.486 1.00 0.00 O ATOM 495 CB ALA A 27 118.854 -4.484 -0.047 1.00 0.00 C ATOM 0 H ALA A 27 118.824 -4.853 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 27 117.167 -5.858 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.691 -4.324 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.620 -5.246 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.181 -3.552 -0.508 1.00 0.00 H new ATOM 501 N THR A 28 116.240 -3.100 -1.569 1.00 0.00 N ATOM 502 CA THR A 28 115.195 -2.040 -1.489 1.00 0.00 C ATOM 503 C THR A 28 113.985 -2.427 -2.344 1.00 0.00 C ATOM 504 O THR A 28 113.023 -1.691 -2.445 1.00 0.00 O ATOM 505 CB THR A 28 115.863 -0.782 -2.045 1.00 0.00 C ATOM 506 OG1 THR A 28 116.242 -1.008 -3.395 1.00 0.00 O ATOM 507 CG2 THR A 28 117.102 -0.449 -1.213 1.00 0.00 C ATOM 0 H THR A 28 116.737 -3.152 -2.458 1.00 0.00 H new ATOM 0 HA THR A 28 114.832 -1.893 -0.472 1.00 0.00 H new ATOM 0 HB THR A 28 115.164 0.053 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.204 -1.968 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.577 0.448 -1.611 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.809 -0.276 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.804 -1.281 -1.257 1.00 0.00 H new ATOM 644 N LEU A 39 120.588 -10.904 2.515 1.00 0.00 N ATOM 645 CA LEU A 39 121.080 -9.905 1.523 1.00 0.00 C ATOM 646 C LEU A 39 121.557 -8.639 2.239 1.00 0.00 C ATOM 647 O LEU A 39 122.459 -7.961 1.787 1.00 0.00 O ATOM 648 CB LEU A 39 119.870 -9.600 0.637 1.00 0.00 C ATOM 649 CG LEU A 39 120.229 -8.494 -0.355 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.251 -9.067 -1.773 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.184 -7.378 -0.272 1.00 0.00 C ATOM 0 HA LEU A 39 121.925 -10.277 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.563 -10.498 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.025 -9.291 1.252 1.00 0.00 H new ATOM 0 HG LEU A 39 121.212 -8.092 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.507 -8.278 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.994 -9.863 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.268 -9.469 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.438 -6.588 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.201 -7.781 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.168 -6.969 0.738 1.00 0.00 H new ATOM 663 N MET A 40 120.959 -8.314 3.353 1.00 0.00 N ATOM 664 CA MET A 40 121.379 -7.091 4.097 1.00 0.00 C ATOM 665 C MET A 40 122.756 -7.307 4.733 1.00 0.00 C ATOM 666 O MET A 40 123.691 -6.576 4.473 1.00 0.00 O ATOM 667 CB MET A 40 120.315 -6.900 5.177 1.00 0.00 C ATOM 668 CG MET A 40 119.320 -5.827 4.729 1.00 0.00 C ATOM 669 SD MET A 40 117.649 -6.520 4.721 1.00 0.00 S ATOM 670 CE MET A 40 116.783 -5.024 4.186 1.00 0.00 C ATOM 0 H MET A 40 120.198 -8.842 3.780 1.00 0.00 H new ATOM 0 HA MET A 40 121.461 -6.220 3.447 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.795 -7.840 5.360 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.784 -6.607 6.116 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.366 -4.970 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.581 -5.467 3.734 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.807 -4.976 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.368 -4.147 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.651 -5.047 3.104 1.00 0.00 H new ATOM 680 N SER A 41 122.886 -8.305 5.562 1.00 0.00 N ATOM 681 CA SER A 41 124.202 -8.566 6.214 1.00 0.00 C ATOM 682 C SER A 41 125.331 -8.461 5.185 1.00 0.00 C ATOM 683 O SER A 41 126.419 -8.014 5.487 1.00 0.00 O ATOM 684 CB SER A 41 124.098 -9.993 6.753 1.00 0.00 C ATOM 685 OG SER A 41 124.887 -10.108 7.929 1.00 0.00 O ATOM 0 H SER A 41 122.139 -8.951 5.817 1.00 0.00 H new ATOM 0 HA SER A 41 124.424 -7.847 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.059 -10.236 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.439 -10.704 6.001 1.00 0.00 H new ATOM 0 HG SER A 41 124.635 -9.403 8.562 1.00 0.00 H new ATOM 691 N GLU A 42 125.080 -8.870 3.971 1.00 0.00 N ATOM 692 CA GLU A 42 126.139 -8.792 2.926 1.00 0.00 C ATOM 693 C GLU A 42 126.433 -7.330 2.583 1.00 0.00 C ATOM 694 O GLU A 42 127.555 -6.872 2.685 1.00 0.00 O ATOM 695 CB GLU A 42 125.555 -9.522 1.715 1.00 0.00 C ATOM 696 CG GLU A 42 125.689 -11.033 1.915 1.00 0.00 C ATOM 697 CD GLU A 42 125.407 -11.751 0.594 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.283 -11.668 0.125 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.320 -12.369 0.072 1.00 0.00 O ATOM 0 H GLU A 42 124.188 -9.254 3.658 1.00 0.00 H new ATOM 0 HA GLU A 42 127.079 -9.236 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.507 -9.253 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 126.076 -9.217 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.692 -11.276 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.992 -11.372 2.681 1.00 0.00 H new ATOM 706 N ILE A 43 125.435 -6.592 2.180 1.00 0.00 N ATOM 707 CA ILE A 43 125.660 -5.159 1.834 1.00 0.00 C ATOM 708 C ILE A 43 126.455 -4.470 2.947 1.00 0.00 C ATOM 709 O ILE A 43 127.273 -3.607 2.696 1.00 0.00 O ATOM 710 CB ILE A 43 124.262 -4.554 1.713 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.614 -5.030 0.410 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.365 -3.028 1.701 1.00 0.00 C ATOM 713 CD1 ILE A 43 122.137 -5.348 0.656 1.00 0.00 C ATOM 0 H ILE A 43 124.474 -6.919 2.075 1.00 0.00 H new ATOM 0 HA ILE A 43 126.232 -5.039 0.914 1.00 0.00 H new ATOM 0 HB ILE A 43 123.654 -4.870 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.708 -4.261 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 43 124.130 -5.915 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.368 -2.597 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.829 -2.687 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.972 -2.711 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.678 -5.687 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 43 122.054 -6.132 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.626 -4.452 1.008 1.00 0.00 H new ATOM 725 N ALA A 44 126.228 -4.850 4.175 1.00 0.00 N ATOM 726 CA ALA A 44 126.977 -4.221 5.301 1.00 0.00 C ATOM 727 C ALA A 44 128.445 -4.656 5.254 1.00 0.00 C ATOM 728 O ALA A 44 129.349 -3.842 5.267 1.00 0.00 O ATOM 729 CB ALA A 44 126.294 -4.740 6.567 1.00 0.00 C ATOM 0 H ALA A 44 125.557 -5.568 4.447 1.00 0.00 H new ATOM 0 HA ALA A 44 126.967 -3.132 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.788 -4.322 7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.246 -4.441 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.361 -5.828 6.597 1.00 0.00 H new ATOM 735 N ASP A 45 128.692 -5.934 5.180 1.00 0.00 N ATOM 736 CA ASP A 45 130.101 -6.408 5.112 1.00 0.00 C ATOM 737 C ASP A 45 130.828 -5.659 3.994 1.00 0.00 C ATOM 738 O ASP A 45 132.038 -5.560 3.980 1.00 0.00 O ATOM 739 CB ASP A 45 130.007 -7.900 4.793 1.00 0.00 C ATOM 740 CG ASP A 45 130.101 -8.707 6.089 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.096 -8.096 7.145 1.00 0.00 O ATOM 742 OD2 ASP A 45 130.177 -9.921 6.003 1.00 0.00 O ATOM 0 H ASP A 45 127.983 -6.667 5.164 1.00 0.00 H new ATOM 0 HA ASP A 45 130.652 -6.234 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.067 -8.115 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.809 -8.189 4.114 1.00 0.00 H new ATOM 747 N LEU A 46 130.088 -5.127 3.059 1.00 0.00 N ATOM 748 CA LEU A 46 130.719 -4.377 1.940 1.00 0.00 C ATOM 749 C LEU A 46 131.048 -2.950 2.381 1.00 0.00 C ATOM 750 O LEU A 46 132.072 -2.401 2.025 1.00 0.00 O ATOM 751 CB LEU A 46 129.670 -4.364 0.828 1.00 0.00 C ATOM 752 CG LEU A 46 129.556 -5.759 0.212 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.685 -5.691 -1.044 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.950 -6.266 -0.163 1.00 0.00 C ATOM 0 H LEU A 46 129.070 -5.181 3.024 1.00 0.00 H new ATOM 0 HA LEU A 46 131.653 -4.833 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.705 -4.053 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.946 -3.639 0.062 1.00 0.00 H new ATOM 0 HG LEU A 46 129.103 -6.439 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.603 -6.685 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.692 -5.328 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 46 129.139 -5.011 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.870 -7.260 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.402 -5.586 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.573 -6.313 0.731 1.00 0.00 H new ATOM 766 N THR A 47 130.190 -2.344 3.157 1.00 0.00 N ATOM 767 CA THR A 47 130.470 -0.953 3.615 1.00 0.00 C ATOM 768 C THR A 47 131.873 -0.887 4.211 1.00 0.00 C ATOM 769 O THR A 47 132.622 0.037 3.963 1.00 0.00 O ATOM 770 CB THR A 47 129.419 -0.642 4.681 1.00 0.00 C ATOM 771 OG1 THR A 47 129.516 -1.588 5.736 1.00 0.00 O ATOM 772 CG2 THR A 47 128.028 -0.708 4.058 1.00 0.00 C ATOM 0 H THR A 47 129.315 -2.748 3.491 1.00 0.00 H new ATOM 0 HA THR A 47 130.424 -0.234 2.797 1.00 0.00 H new ATOM 0 HB THR A 47 129.590 0.358 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.090 -2.427 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.278 -0.486 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.955 0.022 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.855 -1.707 3.658 1.00 0.00 H new ATOM 780 N TYR A 48 132.236 -1.871 4.988 1.00 0.00 N ATOM 781 CA TYR A 48 133.601 -1.873 5.591 1.00 0.00 C ATOM 782 C TYR A 48 134.620 -1.468 4.528 1.00 0.00 C ATOM 783 O TYR A 48 135.487 -0.646 4.756 1.00 0.00 O ATOM 784 CB TYR A 48 133.841 -3.315 6.032 1.00 0.00 C ATOM 785 CG TYR A 48 132.999 -3.619 7.245 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.441 -3.242 8.518 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.776 -4.283 7.097 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.660 -3.529 9.644 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.994 -4.570 8.222 1.00 0.00 C ATOM 790 CZ TYR A 48 131.437 -4.193 9.497 1.00 0.00 C ATOM 791 OH TYR A 48 130.669 -4.477 10.607 1.00 0.00 O ATOM 0 H TYR A 48 131.650 -2.670 5.231 1.00 0.00 H new ATOM 0 HA TYR A 48 133.694 -1.177 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.591 -4.000 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.896 -3.465 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.385 -2.730 8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.435 -4.574 6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.002 -3.238 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.050 -5.082 8.107 1.00 0.00 H new ATOM 0 HH TYR A 48 129.733 -4.254 10.423 1.00 0.00 H new ATOM 801 N ASN A 49 134.506 -2.037 3.361 1.00 0.00 N ATOM 802 CA ASN A 49 135.449 -1.691 2.258 1.00 0.00 C ATOM 803 C ASN A 49 135.421 -0.199 1.990 1.00 0.00 C ATOM 804 O ASN A 49 135.055 0.596 2.832 1.00 0.00 O ATOM 805 CB ASN A 49 134.944 -2.469 1.041 1.00 0.00 C ATOM 806 CG ASN A 49 136.125 -2.820 0.134 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.228 -2.320 -0.969 1.00 0.00 O ATOM 808 ND2 ASN A 49 137.029 -3.663 0.555 1.00 0.00 N ATOM 0 H ASN A 49 133.797 -2.730 3.121 1.00 0.00 H new ATOM 0 HA ASN A 49 136.480 -1.947 2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 49 134.436 -3.378 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.215 -1.873 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.821 -3.902 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.943 -4.083 1.481 1.00 0.00 H new ATOM 815 N VAL A 50 135.846 0.183 0.832 1.00 0.00 N ATOM 816 CA VAL A 50 135.898 1.618 0.498 1.00 0.00 C ATOM 817 C VAL A 50 135.109 1.869 -0.784 1.00 0.00 C ATOM 818 O VAL A 50 134.489 2.900 -0.957 1.00 0.00 O ATOM 819 CB VAL A 50 137.393 1.893 0.316 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.651 3.398 0.408 1.00 0.00 C ATOM 821 CG2 VAL A 50 138.189 1.167 1.422 1.00 0.00 C ATOM 0 H VAL A 50 136.163 -0.445 0.094 1.00 0.00 H new ATOM 0 HA VAL A 50 135.460 2.268 1.255 1.00 0.00 H new ATOM 0 HB VAL A 50 137.712 1.529 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.716 3.593 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.090 3.912 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.331 3.763 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 50 139.253 1.363 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.869 1.531 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 50 138.007 0.094 1.357 1.00 0.00 H new ATOM 831 N VAL A 51 135.111 0.918 -1.676 1.00 0.00 N ATOM 832 CA VAL A 51 134.345 1.079 -2.938 1.00 0.00 C ATOM 833 C VAL A 51 132.897 0.674 -2.717 1.00 0.00 C ATOM 834 O VAL A 51 131.995 1.488 -2.700 1.00 0.00 O ATOM 835 CB VAL A 51 134.982 0.103 -3.927 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.011 -0.169 -5.091 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.280 0.705 -4.458 1.00 0.00 C ATOM 0 H VAL A 51 135.612 0.035 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 51 134.366 2.110 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 51 135.199 -0.840 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.470 -0.865 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.089 -0.601 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.786 0.766 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.740 0.014 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 51 136.065 1.648 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.964 0.884 -3.628 1.00 0.00 H new ATOM 847 N ALA A 52 132.684 -0.603 -2.589 1.00 0.00 N ATOM 848 CA ALA A 52 131.312 -1.124 -2.411 1.00 0.00 C ATOM 849 C ALA A 52 130.504 -0.202 -1.498 1.00 0.00 C ATOM 850 O ALA A 52 129.345 0.063 -1.740 1.00 0.00 O ATOM 851 CB ALA A 52 131.494 -2.495 -1.767 1.00 0.00 C ATOM 0 H ALA A 52 133.415 -1.314 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 52 130.768 -1.184 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.518 -2.951 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.084 -3.131 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.010 -2.383 -0.813 1.00 0.00 H new ATOM 857 N PHE A 53 131.110 0.287 -0.452 1.00 0.00 N ATOM 858 CA PHE A 53 130.383 1.195 0.478 1.00 0.00 C ATOM 859 C PHE A 53 129.810 2.385 -0.299 1.00 0.00 C ATOM 860 O PHE A 53 128.632 2.674 -0.235 1.00 0.00 O ATOM 861 CB PHE A 53 131.448 1.660 1.471 1.00 0.00 C ATOM 862 CG PHE A 53 130.951 2.877 2.206 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.873 2.773 3.092 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.571 4.113 1.994 1.00 0.00 C ATOM 865 CE1 PHE A 53 129.415 3.910 3.765 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.113 5.249 2.669 1.00 0.00 C ATOM 867 CZ PHE A 53 130.033 5.148 3.555 1.00 0.00 C ATOM 0 H PHE A 53 132.080 0.096 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 53 129.545 0.708 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.674 0.862 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.374 1.892 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 53 129.396 1.818 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.403 4.190 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.582 3.833 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.592 6.203 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.677 6.025 4.076 1.00 0.00 H new ATOM 877 N SER A 54 130.639 3.077 -1.033 1.00 0.00 N ATOM 878 CA SER A 54 130.146 4.247 -1.815 1.00 0.00 C ATOM 879 C SER A 54 129.086 3.794 -2.822 1.00 0.00 C ATOM 880 O SER A 54 128.215 4.550 -3.206 1.00 0.00 O ATOM 881 CB SER A 54 131.378 4.786 -2.541 1.00 0.00 C ATOM 882 OG SER A 54 131.321 6.207 -2.573 1.00 0.00 O ATOM 0 H SER A 54 131.636 2.883 -1.125 1.00 0.00 H new ATOM 0 HA SER A 54 129.684 5.004 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.285 4.458 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.419 4.389 -3.555 1.00 0.00 H new ATOM 0 HG SER A 54 132.111 6.556 -3.037 1.00 0.00 H new ATOM 888 N GLU A 55 129.152 2.563 -3.250 1.00 0.00 N ATOM 889 CA GLU A 55 128.151 2.058 -4.229 1.00 0.00 C ATOM 890 C GLU A 55 126.878 1.618 -3.498 1.00 0.00 C ATOM 891 O GLU A 55 125.818 1.510 -4.082 1.00 0.00 O ATOM 892 CB GLU A 55 128.829 0.861 -4.904 1.00 0.00 C ATOM 893 CG GLU A 55 130.258 1.238 -5.305 1.00 0.00 C ATOM 894 CD GLU A 55 130.396 1.172 -6.827 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.644 0.430 -7.438 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.250 1.863 -7.357 1.00 0.00 O ATOM 0 H GLU A 55 129.858 1.885 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 55 127.855 2.818 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.844 0.008 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.262 0.558 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.493 2.242 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.970 0.559 -4.835 1.00 0.00 H new ATOM 903 N ILE A 56 126.976 1.371 -2.219 1.00 0.00 N ATOM 904 CA ILE A 56 125.778 0.942 -1.443 1.00 0.00 C ATOM 905 C ILE A 56 124.950 2.169 -1.052 1.00 0.00 C ATOM 906 O ILE A 56 123.862 2.379 -1.551 1.00 0.00 O ATOM 907 CB ILE A 56 126.340 0.248 -0.201 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.811 -1.158 -0.579 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.254 0.147 0.874 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.968 -1.572 0.332 1.00 0.00 C ATOM 0 H ILE A 56 127.837 1.448 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 56 125.123 0.281 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 56 127.178 0.827 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.988 -1.866 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.130 -1.178 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.660 -0.348 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.914 1.147 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.413 -0.430 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.303 -2.574 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.793 -0.869 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.633 -1.568 1.369 1.00 0.00 H new ATOM 922 N MET A 57 125.463 2.988 -0.174 1.00 0.00 N ATOM 923 CA MET A 57 124.709 4.207 0.233 1.00 0.00 C ATOM 924 C MET A 57 124.186 4.923 -1.013 1.00 0.00 C ATOM 925 O MET A 57 123.115 5.495 -1.010 1.00 0.00 O ATOM 926 CB MET A 57 125.730 5.081 0.962 1.00 0.00 C ATOM 927 CG MET A 57 126.115 4.421 2.288 1.00 0.00 C ATOM 928 SD MET A 57 124.697 4.452 3.413 1.00 0.00 S ATOM 929 CE MET A 57 124.612 6.247 3.622 1.00 0.00 C ATOM 0 H MET A 57 126.369 2.866 0.278 1.00 0.00 H new ATOM 0 HA MET A 57 123.850 3.978 0.864 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.616 5.218 0.342 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.312 6.071 1.144 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.433 3.393 2.116 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.959 4.945 2.736 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.423 6.483 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 57 125.557 6.694 3.315 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.805 6.647 3.008 1.00 0.00 H new ATOM 939 N SER A 58 124.937 4.889 -2.081 1.00 0.00 N ATOM 940 CA SER A 58 124.486 5.560 -3.332 1.00 0.00 C ATOM 941 C SER A 58 123.139 4.984 -3.774 1.00 0.00 C ATOM 942 O SER A 58 122.144 5.679 -3.825 1.00 0.00 O ATOM 943 CB SER A 58 125.570 5.244 -4.361 1.00 0.00 C ATOM 944 OG SER A 58 126.500 6.318 -4.408 1.00 0.00 O ATOM 0 H SER A 58 125.843 4.425 -2.140 1.00 0.00 H new ATOM 0 HA SER A 58 124.349 6.634 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.080 4.318 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.122 5.092 -5.343 1.00 0.00 H new ATOM 0 HG SER A 58 127.345 6.037 -3.999 1.00 0.00 H new ATOM 950 N MET A 59 123.097 3.716 -4.085 1.00 0.00 N ATOM 951 CA MET A 59 121.807 3.102 -4.512 1.00 0.00 C ATOM 952 C MET A 59 120.753 3.299 -3.419 1.00 0.00 C ATOM 953 O MET A 59 119.566 3.221 -3.660 1.00 0.00 O ATOM 954 CB MET A 59 122.115 1.616 -4.697 1.00 0.00 C ATOM 955 CG MET A 59 122.969 1.424 -5.952 1.00 0.00 C ATOM 956 SD MET A 59 122.021 0.498 -7.187 1.00 0.00 S ATOM 957 CE MET A 59 122.854 1.160 -8.653 1.00 0.00 C ATOM 0 H MET A 59 123.896 3.082 -4.062 1.00 0.00 H new ATOM 0 HA MET A 59 121.414 3.550 -5.425 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.642 1.231 -3.824 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.188 1.050 -4.785 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.265 2.392 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.885 0.888 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.923 0.383 -9.414 1.00 0.00 H new ATOM 0 HE2 MET A 59 122.285 2.003 -9.045 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.856 1.493 -8.383 1.00 0.00 H new ATOM 967 N ILE A 60 121.187 3.556 -2.215 1.00 0.00 N ATOM 968 CA ILE A 60 120.224 3.760 -1.095 1.00 0.00 C ATOM 969 C ILE A 60 119.620 5.171 -1.172 1.00 0.00 C ATOM 970 O ILE A 60 118.481 5.388 -0.814 1.00 0.00 O ATOM 971 CB ILE A 60 121.072 3.561 0.174 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.872 2.135 0.691 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.665 4.555 1.267 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.231 1.510 1.012 1.00 0.00 C ATOM 0 H ILE A 60 122.171 3.634 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 60 119.378 3.073 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 60 122.119 3.731 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.245 2.145 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.352 1.536 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.279 4.393 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.810 5.573 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.615 4.407 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 60 122.087 0.494 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.842 1.485 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.734 2.104 1.775 1.00 0.00 H new ATOM 986 N TRP A 61 120.378 6.127 -1.634 1.00 0.00 N ATOM 987 CA TRP A 61 119.847 7.518 -1.732 1.00 0.00 C ATOM 988 C TRP A 61 118.908 7.644 -2.936 1.00 0.00 C ATOM 989 O TRP A 61 117.851 8.240 -2.850 1.00 0.00 O ATOM 990 CB TRP A 61 121.082 8.401 -1.922 1.00 0.00 C ATOM 991 CG TRP A 61 121.845 8.471 -0.639 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.164 8.202 -0.502 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.360 8.827 0.688 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.519 8.371 0.824 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.442 8.756 1.597 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.099 9.201 1.185 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.278 9.047 2.952 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.930 9.494 2.548 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.018 9.417 3.430 1.00 0.00 C ATOM 0 H TRP A 61 121.341 6.006 -1.948 1.00 0.00 H new ATOM 0 HA TRP A 61 119.273 7.803 -0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.714 7.996 -2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.783 9.401 -2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.831 7.904 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.462 8.229 1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.255 9.263 0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.119 8.987 3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.957 9.780 2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.882 9.643 4.477 1.00 0.00 H new ATOM 1010 N LYS A 62 119.284 7.092 -4.056 1.00 0.00 N ATOM 1011 CA LYS A 62 118.412 7.182 -5.263 1.00 0.00 C ATOM 1012 C LYS A 62 117.040 6.568 -4.975 1.00 0.00 C ATOM 1013 O LYS A 62 116.017 7.199 -5.159 1.00 0.00 O ATOM 1014 CB LYS A 62 119.143 6.377 -6.340 1.00 0.00 C ATOM 1015 CG LYS A 62 119.932 7.329 -7.241 1.00 0.00 C ATOM 1016 CD LYS A 62 121.395 7.364 -6.791 1.00 0.00 C ATOM 1017 CE LYS A 62 121.604 8.530 -5.823 1.00 0.00 C ATOM 1018 NZ LYS A 62 123.012 8.393 -5.356 1.00 0.00 N ATOM 0 H LYS A 62 120.157 6.582 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 62 118.239 8.214 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.817 5.656 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.427 5.808 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.867 7.002 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.502 8.330 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.660 6.424 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.050 7.473 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.443 9.488 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 120.904 8.481 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.269 9.221 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.105 7.531 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.646 8.331 -6.178 1.00 0.00 H new ATOM 1032 N ARG A 63 117.008 5.344 -4.525 1.00 0.00 N ATOM 1033 CA ARG A 63 115.700 4.693 -4.227 1.00 0.00 C ATOM 1034 C ARG A 63 115.048 5.351 -3.008 1.00 0.00 C ATOM 1035 O ARG A 63 113.878 5.163 -2.741 1.00 0.00 O ATOM 1036 CB ARG A 63 116.043 3.233 -3.929 1.00 0.00 C ATOM 1037 CG ARG A 63 116.420 2.521 -5.230 1.00 0.00 C ATOM 1038 CD ARG A 63 117.460 1.436 -4.937 1.00 0.00 C ATOM 1039 NE ARG A 63 118.177 1.230 -6.227 1.00 0.00 N ATOM 1040 CZ ARG A 63 117.516 0.856 -7.288 1.00 0.00 C ATOM 1041 NH1 ARG A 63 116.447 0.118 -7.163 1.00 0.00 N ATOM 1042 NH2 ARG A 63 117.924 1.219 -8.474 1.00 0.00 N ATOM 0 H ARG A 63 117.830 4.766 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 63 114.995 4.785 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.870 3.180 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.192 2.736 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 63 115.534 2.077 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.820 3.238 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 63 118.146 1.749 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 63 116.985 0.515 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 63 119.184 1.381 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 63 116.129 -0.166 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.930 -0.175 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 63 118.760 1.795 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 63 117.407 0.926 -9.303 1.00 0.00 H new ATOM 1056 N LEU A 64 115.795 6.125 -2.268 1.00 0.00 N ATOM 1057 CA LEU A 64 115.218 6.797 -1.068 1.00 0.00 C ATOM 1058 C LEU A 64 114.388 8.008 -1.490 1.00 0.00 C ATOM 1059 O LEU A 64 113.494 8.437 -0.790 1.00 0.00 O ATOM 1060 CB LEU A 64 116.423 7.253 -0.249 1.00 0.00 C ATOM 1061 CG LEU A 64 116.574 6.358 0.981 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.765 6.832 1.816 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.296 6.428 1.822 1.00 0.00 C ATOM 0 H LEU A 64 116.781 6.321 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 64 114.563 6.133 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.327 7.209 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.296 8.291 0.057 1.00 0.00 H new ATOM 0 HG LEU A 64 116.743 5.329 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.872 6.193 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.674 6.780 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.599 7.861 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.402 5.790 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.125 7.457 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.449 6.087 1.226 1.00 0.00 H new ATOM 1075 N ASN A 65 114.683 8.563 -2.630 1.00 0.00 N ATOM 1076 CA ASN A 65 113.919 9.746 -3.097 1.00 0.00 C ATOM 1077 C ASN A 65 113.136 9.391 -4.360 1.00 0.00 C ATOM 1078 O ASN A 65 113.122 10.130 -5.324 1.00 0.00 O ATOM 1079 CB ASN A 65 114.975 10.810 -3.397 1.00 0.00 C ATOM 1080 CG ASN A 65 114.980 11.852 -2.276 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.732 11.529 -1.131 1.00 0.00 O ATOM 1082 ND2 ASN A 65 115.252 13.096 -2.559 1.00 0.00 N ATOM 0 H ASN A 65 115.422 8.247 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 65 113.196 10.094 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.958 10.348 -3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.763 11.289 -4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.257 13.798 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.460 13.367 -3.520 1.00 0.00 H new ATOM 1161 N TRP A 71 106.179 4.988 -2.959 1.00 0.00 N ATOM 1162 CA TRP A 71 107.197 5.294 -1.911 1.00 0.00 C ATOM 1163 C TRP A 71 107.765 3.993 -1.335 1.00 0.00 C ATOM 1164 O TRP A 71 108.699 4.003 -0.560 1.00 0.00 O ATOM 1165 CB TRP A 71 106.438 6.071 -0.834 1.00 0.00 C ATOM 1166 CG TRP A 71 105.186 5.335 -0.477 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.937 5.702 -0.850 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.036 4.118 0.310 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.032 4.790 -0.342 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.660 3.794 0.381 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.950 3.273 0.963 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.208 2.671 1.074 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.498 2.141 1.662 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.130 1.841 1.718 1.00 0.00 C ATOM 0 HA TRP A 71 108.039 5.863 -2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.064 6.195 0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.195 7.070 -1.195 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.689 6.567 -1.447 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.023 4.845 -0.483 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.006 3.495 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.153 2.444 1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.209 1.498 2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.789 0.970 2.258 1.00 0.00 H new ATOM 1185 N ARG A 72 107.210 2.871 -1.708 1.00 0.00 N ATOM 1186 CA ARG A 72 107.728 1.577 -1.179 1.00 0.00 C ATOM 1187 C ARG A 72 109.254 1.531 -1.310 1.00 0.00 C ATOM 1188 O ARG A 72 109.956 1.188 -0.380 1.00 0.00 O ATOM 1189 CB ARG A 72 107.078 0.503 -2.052 1.00 0.00 C ATOM 1190 CG ARG A 72 106.924 -0.786 -1.243 1.00 0.00 C ATOM 1191 CD ARG A 72 105.438 -1.111 -1.075 1.00 0.00 C ATOM 1192 NE ARG A 72 105.330 -2.569 -1.360 1.00 0.00 N ATOM 1193 CZ ARG A 72 105.063 -2.979 -2.569 1.00 0.00 C ATOM 1194 NH1 ARG A 72 105.309 -2.204 -3.589 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.548 -4.163 -2.758 1.00 0.00 N ATOM 0 H ARG A 72 106.424 2.795 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 72 107.495 1.436 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.104 0.844 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.688 0.319 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 72 107.432 -1.608 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 72 107.395 -0.673 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.094 -0.879 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.826 -0.528 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 72 105.465 -3.247 -0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.710 -1.278 -3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.100 -2.524 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.354 -4.768 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.339 -4.483 -3.704 1.00 0.00 H new ATOM 1209 N HIS A 73 109.772 1.879 -2.457 1.00 0.00 N ATOM 1210 CA HIS A 73 111.251 1.860 -2.646 1.00 0.00 C ATOM 1211 C HIS A 73 111.932 2.656 -1.528 1.00 0.00 C ATOM 1212 O HIS A 73 112.962 2.267 -1.014 1.00 0.00 O ATOM 1213 CB HIS A 73 111.486 2.532 -3.999 1.00 0.00 C ATOM 1214 CG HIS A 73 112.045 1.527 -4.971 1.00 0.00 C ATOM 1215 ND1 HIS A 73 112.639 1.906 -6.164 1.00 0.00 N ATOM 1216 CD2 HIS A 73 112.105 0.156 -4.940 1.00 0.00 C ATOM 1217 CE1 HIS A 73 113.027 0.784 -6.798 1.00 0.00 C ATOM 1218 NE2 HIS A 73 112.725 -0.311 -6.096 1.00 0.00 N ATOM 0 H HIS A 73 109.235 2.176 -3.272 1.00 0.00 H new ATOM 0 HA HIS A 73 111.660 0.850 -2.616 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.551 2.941 -4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.177 3.368 -3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.729 -0.466 -4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 73 113.522 0.771 -7.758 1.00 0.00 H new ATOM 0 HE2 HIS A 73 112.909 -1.281 -6.352 1.00 0.00 H new ATOM 1226 N VAL A 74 111.361 3.767 -1.151 1.00 0.00 N ATOM 1227 CA VAL A 74 111.966 4.593 -0.066 1.00 0.00 C ATOM 1228 C VAL A 74 111.983 3.810 1.249 1.00 0.00 C ATOM 1229 O VAL A 74 113.018 3.604 1.849 1.00 0.00 O ATOM 1230 CB VAL A 74 111.047 5.805 0.056 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.401 6.580 1.324 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.222 6.707 -1.167 1.00 0.00 C ATOM 0 H VAL A 74 110.499 4.140 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 74 112.996 4.873 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 74 110.010 5.474 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.747 7.447 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.272 5.935 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.438 6.912 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.565 7.572 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.257 7.042 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.969 6.150 -2.069 1.00 0.00 H new ATOM 1242 N TYR A 75 110.839 3.377 1.698 1.00 0.00 N ATOM 1243 CA TYR A 75 110.776 2.608 2.973 1.00 0.00 C ATOM 1244 C TYR A 75 111.890 1.559 3.012 1.00 0.00 C ATOM 1245 O TYR A 75 112.693 1.521 3.925 1.00 0.00 O ATOM 1246 CB TYR A 75 109.402 1.940 2.947 1.00 0.00 C ATOM 1247 CG TYR A 75 108.987 1.571 4.350 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.825 2.568 5.318 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.758 0.230 4.682 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.433 2.225 6.617 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.368 -0.114 5.981 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.204 0.884 6.949 1.00 0.00 C ATOM 1253 OH TYR A 75 107.818 0.547 8.230 1.00 0.00 O ATOM 0 H TYR A 75 109.941 3.523 1.236 1.00 0.00 H new ATOM 0 HA TYR A 75 110.910 3.238 3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.668 2.614 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.433 1.049 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.002 3.602 5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.883 -0.540 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.307 2.995 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.194 -1.149 6.237 1.00 0.00 H new ATOM 0 HH TYR A 75 107.700 -0.424 8.291 1.00 0.00 H new ATOM 1263 N LYS A 76 111.946 0.706 2.025 1.00 0.00 N ATOM 1264 CA LYS A 76 113.010 -0.338 2.002 1.00 0.00 C ATOM 1265 C LYS A 76 114.390 0.320 1.945 1.00 0.00 C ATOM 1266 O LYS A 76 115.358 -0.200 2.464 1.00 0.00 O ATOM 1267 CB LYS A 76 112.746 -1.144 0.730 1.00 0.00 C ATOM 1268 CG LYS A 76 111.314 -1.678 0.752 1.00 0.00 C ATOM 1269 CD LYS A 76 111.302 -3.074 1.377 1.00 0.00 C ATOM 1270 CE LYS A 76 110.338 -3.973 0.600 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.974 -5.057 1.554 1.00 0.00 N ATOM 0 H LYS A 76 111.302 0.687 1.235 1.00 0.00 H new ATOM 0 HA LYS A 76 112.994 -0.967 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.898 -0.517 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.453 -1.971 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.672 -1.007 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.913 -1.718 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 76 112.305 -3.500 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.998 -3.014 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.457 -3.420 0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.809 -4.377 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.314 -5.716 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.832 -5.570 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.522 -4.643 2.394 1.00 0.00 H new ATOM 1285 N ALA A 77 114.488 1.463 1.322 1.00 0.00 N ATOM 1286 CA ALA A 77 115.806 2.152 1.238 1.00 0.00 C ATOM 1287 C ALA A 77 116.239 2.611 2.631 1.00 0.00 C ATOM 1288 O ALA A 77 117.410 2.789 2.904 1.00 0.00 O ATOM 1289 CB ALA A 77 115.565 3.355 0.325 1.00 0.00 C ATOM 0 H ALA A 77 113.714 1.948 0.869 1.00 0.00 H new ATOM 0 HA ALA A 77 116.594 1.504 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.492 3.917 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.229 3.009 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.802 3.998 0.764 1.00 0.00 H new ATOM 1295 N MET A 78 115.300 2.803 3.514 1.00 0.00 N ATOM 1296 CA MET A 78 115.646 3.251 4.892 1.00 0.00 C ATOM 1297 C MET A 78 116.134 2.064 5.725 1.00 0.00 C ATOM 1298 O MET A 78 116.954 2.210 6.608 1.00 0.00 O ATOM 1299 CB MET A 78 114.343 3.805 5.468 1.00 0.00 C ATOM 1300 CG MET A 78 113.646 4.672 4.418 1.00 0.00 C ATOM 1301 SD MET A 78 113.068 6.201 5.190 1.00 0.00 S ATOM 1302 CE MET A 78 111.328 6.043 4.720 1.00 0.00 C ATOM 0 H MET A 78 114.304 2.669 3.340 1.00 0.00 H new ATOM 0 HA MET A 78 116.443 3.994 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.690 2.986 5.770 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.550 4.394 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.334 4.900 3.604 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.806 4.131 3.983 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.974 6.990 4.312 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.224 5.262 3.967 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.736 5.782 5.597 1.00 0.00 H new ATOM 1312 N THR A 79 115.632 0.891 5.455 1.00 0.00 N ATOM 1313 CA THR A 79 116.069 -0.301 6.237 1.00 0.00 C ATOM 1314 C THR A 79 117.525 -0.640 5.919 1.00 0.00 C ATOM 1315 O THR A 79 118.274 -1.067 6.775 1.00 0.00 O ATOM 1316 CB THR A 79 115.138 -1.431 5.792 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.793 -1.074 6.080 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.497 -2.716 6.539 1.00 0.00 C ATOM 0 H THR A 79 114.940 0.706 4.729 1.00 0.00 H new ATOM 0 HA THR A 79 116.015 -0.132 7.312 1.00 0.00 H new ATOM 0 HB THR A 79 115.251 -1.594 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.195 -1.796 5.794 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.833 -3.520 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.529 -2.989 6.318 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.386 -2.557 7.612 1.00 0.00 H new ATOM 1326 N LEU A 80 117.936 -0.447 4.697 1.00 0.00 N ATOM 1327 CA LEU A 80 119.349 -0.753 4.332 1.00 0.00 C ATOM 1328 C LEU A 80 120.277 0.310 4.921 1.00 0.00 C ATOM 1329 O LEU A 80 121.374 0.021 5.352 1.00 0.00 O ATOM 1330 CB LEU A 80 119.388 -0.713 2.806 1.00 0.00 C ATOM 1331 CG LEU A 80 120.768 -1.165 2.327 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.085 -2.542 2.913 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.775 -1.245 0.799 1.00 0.00 C ATOM 0 H LEU A 80 117.357 -0.092 3.936 1.00 0.00 H new ATOM 0 HA LEU A 80 119.677 -1.718 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.616 -1.362 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.179 0.296 2.451 1.00 0.00 H new ATOM 0 HG LEU A 80 121.521 -0.449 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.069 -2.865 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.079 -2.484 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.333 -3.259 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.758 -1.567 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 80 120.023 -1.961 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.549 -0.264 0.382 1.00 0.00 H new ATOM 1345 N MET A 81 119.844 1.539 4.948 1.00 0.00 N ATOM 1346 CA MET A 81 120.704 2.611 5.517 1.00 0.00 C ATOM 1347 C MET A 81 120.796 2.451 7.035 1.00 0.00 C ATOM 1348 O MET A 81 121.816 2.720 7.637 1.00 0.00 O ATOM 1349 CB MET A 81 120.004 3.922 5.152 1.00 0.00 C ATOM 1350 CG MET A 81 120.848 5.103 5.636 1.00 0.00 C ATOM 1351 SD MET A 81 120.861 6.396 4.369 1.00 0.00 S ATOM 1352 CE MET A 81 119.331 7.221 4.872 1.00 0.00 C ATOM 0 H MET A 81 118.935 1.846 4.602 1.00 0.00 H new ATOM 0 HA MET A 81 121.722 2.578 5.129 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.860 3.982 4.073 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.014 3.957 5.608 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.442 5.496 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.866 4.774 5.846 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.959 7.832 4.049 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.584 6.473 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 81 119.527 7.857 5.735 1.00 0.00 H new ATOM 1362 N GLU A 82 119.738 2.010 7.657 1.00 0.00 N ATOM 1363 CA GLU A 82 119.759 1.832 9.138 1.00 0.00 C ATOM 1364 C GLU A 82 120.548 0.578 9.524 1.00 0.00 C ATOM 1365 O GLU A 82 121.227 0.549 10.531 1.00 0.00 O ATOM 1366 CB GLU A 82 118.292 1.673 9.536 1.00 0.00 C ATOM 1367 CG GLU A 82 118.197 1.481 11.050 1.00 0.00 C ATOM 1368 CD GLU A 82 116.908 2.121 11.569 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.041 2.399 10.758 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.812 2.322 12.768 1.00 0.00 O ATOM 0 H GLU A 82 118.858 1.765 7.204 1.00 0.00 H new ATOM 0 HA GLU A 82 120.238 2.672 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.724 2.552 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.854 0.818 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.211 0.419 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 82 119.061 1.931 11.539 1.00 0.00 H new ATOM 1377 N TYR A 83 120.459 -0.460 8.740 1.00 0.00 N ATOM 1378 CA TYR A 83 121.195 -1.710 9.071 1.00 0.00 C ATOM 1379 C TYR A 83 122.695 -1.524 8.840 1.00 0.00 C ATOM 1380 O TYR A 83 123.513 -1.946 9.633 1.00 0.00 O ATOM 1381 CB TYR A 83 120.625 -2.754 8.111 1.00 0.00 C ATOM 1382 CG TYR A 83 121.337 -4.066 8.315 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.523 -4.329 7.623 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.811 -5.018 9.193 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.185 -5.549 7.809 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.470 -6.238 9.381 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.659 -6.504 8.688 1.00 0.00 C ATOM 1388 OH TYR A 83 123.311 -7.707 8.871 1.00 0.00 O ATOM 0 H TYR A 83 119.907 -0.496 7.883 1.00 0.00 H new ATOM 0 HA TYR A 83 121.077 -2.001 10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.556 -2.877 8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.744 -2.420 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.928 -3.592 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.895 -4.812 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.101 -5.753 7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 83 121.063 -6.974 10.059 1.00 0.00 H new ATOM 0 HH TYR A 83 122.813 -8.254 9.514 1.00 0.00 H new ATOM 1398 N LEU A 84 123.065 -0.897 7.759 1.00 0.00 N ATOM 1399 CA LEU A 84 124.514 -0.688 7.477 1.00 0.00 C ATOM 1400 C LEU A 84 125.098 0.353 8.438 1.00 0.00 C ATOM 1401 O LEU A 84 126.266 0.318 8.769 1.00 0.00 O ATOM 1402 CB LEU A 84 124.562 -0.189 6.031 1.00 0.00 C ATOM 1403 CG LEU A 84 123.852 -1.200 5.126 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.700 -0.619 3.719 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.675 -2.489 5.060 1.00 0.00 C ATOM 0 H LEU A 84 122.427 -0.520 7.058 1.00 0.00 H new ATOM 0 HA LEU A 84 125.101 -1.596 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.081 0.786 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.596 -0.061 5.712 1.00 0.00 H new ATOM 0 HG LEU A 84 122.864 -1.417 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.194 -1.342 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.112 0.298 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.685 -0.398 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.171 -3.210 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.663 -2.270 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.778 -2.907 6.062 1.00 0.00 H new ATOM 1417 N ILE A 85 124.295 1.277 8.893 1.00 0.00 N ATOM 1418 CA ILE A 85 124.812 2.311 9.837 1.00 0.00 C ATOM 1419 C ILE A 85 125.258 1.647 11.144 1.00 0.00 C ATOM 1420 O ILE A 85 126.067 2.179 11.879 1.00 0.00 O ATOM 1421 CB ILE A 85 123.629 3.253 10.082 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.511 4.235 8.915 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.848 4.036 11.380 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.133 4.899 8.943 1.00 0.00 C ATOM 0 H ILE A 85 123.307 1.361 8.653 1.00 0.00 H new ATOM 0 HA ILE A 85 125.676 2.845 9.440 1.00 0.00 H new ATOM 0 HB ILE A 85 122.714 2.666 10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.292 4.992 8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.655 3.712 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.003 4.704 11.549 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.933 3.340 12.215 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.764 4.622 11.301 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.049 5.599 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.360 4.136 8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.007 5.436 9.883 1.00 0.00 H new ATOM 1436 N LYS A 86 124.734 0.488 11.441 1.00 0.00 N ATOM 1437 CA LYS A 86 125.128 -0.209 12.699 1.00 0.00 C ATOM 1438 C LYS A 86 126.182 -1.278 12.402 1.00 0.00 C ATOM 1439 O LYS A 86 127.331 -1.149 12.774 1.00 0.00 O ATOM 1440 CB LYS A 86 123.839 -0.852 13.212 1.00 0.00 C ATOM 1441 CG LYS A 86 123.335 -0.085 14.435 1.00 0.00 C ATOM 1442 CD LYS A 86 122.419 -0.986 15.265 1.00 0.00 C ATOM 1443 CE LYS A 86 121.752 -0.162 16.368 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.450 -1.141 17.449 1.00 0.00 N ATOM 0 H LYS A 86 124.051 -0.006 10.867 1.00 0.00 H new ATOM 0 HA LYS A 86 125.564 0.470 13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.081 -0.846 12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.020 -1.895 13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.178 0.249 15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.795 0.808 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 121.661 -1.438 14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.994 -1.801 15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 86 122.412 0.629 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 86 120.844 0.320 16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.990 -0.651 18.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.814 -1.878 17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.334 -1.579 17.778 1.00 0.00 H new ATOM 1458 N THR A 87 125.801 -2.332 11.735 1.00 0.00 N ATOM 1459 CA THR A 87 126.784 -3.407 11.414 1.00 0.00 C ATOM 1460 C THR A 87 127.555 -3.056 10.139 1.00 0.00 C ATOM 1461 O THR A 87 128.678 -3.477 9.947 1.00 0.00 O ATOM 1462 CB THR A 87 125.942 -4.666 11.205 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.798 -5.796 11.113 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.130 -4.533 9.916 1.00 0.00 C ATOM 0 H THR A 87 124.852 -2.496 11.398 1.00 0.00 H new ATOM 0 HA THR A 87 127.523 -3.540 12.204 1.00 0.00 H new ATOM 0 HB THR A 87 125.262 -4.792 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.260 -6.604 10.981 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.531 -5.432 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.473 -3.666 9.988 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.807 -4.406 9.071 1.00 0.00 H new ATOM 1472 N GLY A 88 126.963 -2.288 9.265 1.00 0.00 N ATOM 1473 CA GLY A 88 127.669 -1.914 8.006 1.00 0.00 C ATOM 1474 C GLY A 88 129.079 -1.425 8.340 1.00 0.00 C ATOM 1475 O GLY A 88 130.055 -2.110 8.105 1.00 0.00 O ATOM 0 H GLY A 88 126.024 -1.904 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.719 -2.772 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.116 -1.133 7.484 1.00 0.00 H new ATOM 1479 N SER A 89 129.195 -0.247 8.886 1.00 0.00 N ATOM 1480 CA SER A 89 130.544 0.283 9.234 1.00 0.00 C ATOM 1481 C SER A 89 130.433 1.728 9.728 1.00 0.00 C ATOM 1482 O SER A 89 129.436 2.390 9.516 1.00 0.00 O ATOM 1483 CB SER A 89 131.343 0.220 7.933 1.00 0.00 C ATOM 1484 OG SER A 89 132.486 1.058 8.041 1.00 0.00 O ATOM 0 H SER A 89 128.415 0.372 9.107 1.00 0.00 H new ATOM 0 HA SER A 89 131.019 -0.289 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.649 -0.806 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.722 0.539 7.096 1.00 0.00 H new ATOM 0 HG SER A 89 133.001 1.018 7.208 1.00 0.00 H new ATOM 1490 N GLU A 90 131.446 2.221 10.385 1.00 0.00 N ATOM 1491 CA GLU A 90 131.394 3.622 10.892 1.00 0.00 C ATOM 1492 C GLU A 90 131.269 4.603 9.723 1.00 0.00 C ATOM 1493 O GLU A 90 130.987 5.770 9.908 1.00 0.00 O ATOM 1494 CB GLU A 90 132.720 3.829 11.623 1.00 0.00 C ATOM 1495 CG GLU A 90 132.807 2.870 12.810 1.00 0.00 C ATOM 1496 CD GLU A 90 133.732 3.461 13.875 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.319 4.497 13.611 1.00 0.00 O ATOM 1498 OE2 GLU A 90 133.838 2.868 14.935 1.00 0.00 O ATOM 0 H GLU A 90 132.307 1.715 10.593 1.00 0.00 H new ATOM 0 HA GLU A 90 130.538 3.793 11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.553 3.657 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.799 4.860 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.815 2.701 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.184 1.901 12.482 1.00 0.00 H new ATOM 1505 N ARG A 91 131.481 4.140 8.522 1.00 0.00 N ATOM 1506 CA ARG A 91 131.375 5.048 7.346 1.00 0.00 C ATOM 1507 C ARG A 91 129.907 5.264 6.974 1.00 0.00 C ATOM 1508 O ARG A 91 129.487 6.367 6.690 1.00 0.00 O ATOM 1509 CB ARG A 91 132.113 4.324 6.219 1.00 0.00 C ATOM 1510 CG ARG A 91 133.546 4.023 6.661 1.00 0.00 C ATOM 1511 CD ARG A 91 134.334 5.331 6.768 1.00 0.00 C ATOM 1512 NE ARG A 91 134.321 5.671 8.218 1.00 0.00 N ATOM 1513 CZ ARG A 91 134.665 6.867 8.614 1.00 0.00 C ATOM 1514 NH1 ARG A 91 135.212 7.702 7.773 1.00 0.00 N ATOM 1515 NH2 ARG A 91 134.462 7.228 9.851 1.00 0.00 N ATOM 0 H ARG A 91 131.723 3.173 8.304 1.00 0.00 H new ATOM 0 HA ARG A 91 131.799 6.032 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.596 3.398 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.120 4.940 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.541 3.510 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.026 3.355 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 91 135.353 5.209 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.873 6.120 6.173 1.00 0.00 H new ATOM 0 HE ARG A 91 134.043 4.968 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.371 7.421 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 91 135.480 8.636 8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 91 134.035 6.576 10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 91 134.731 8.162 10.160 1.00 0.00 H new ATOM 1529 N VAL A 92 129.122 4.223 6.978 1.00 0.00 N ATOM 1530 CA VAL A 92 127.680 4.377 6.627 1.00 0.00 C ATOM 1531 C VAL A 92 127.005 5.341 7.604 1.00 0.00 C ATOM 1532 O VAL A 92 126.027 5.985 7.280 1.00 0.00 O ATOM 1533 CB VAL A 92 127.086 2.973 6.747 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.573 3.043 6.534 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.710 2.057 5.686 1.00 0.00 C ATOM 0 H VAL A 92 129.414 3.273 7.208 1.00 0.00 H new ATOM 0 HA VAL A 92 127.537 4.787 5.627 1.00 0.00 H new ATOM 0 HB VAL A 92 127.298 2.573 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.147 2.043 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.129 3.692 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.363 3.444 5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.285 1.057 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.500 2.455 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.788 2.008 5.837 1.00 0.00 H new ATOM 1545 N SER A 93 127.527 5.454 8.793 1.00 0.00 N ATOM 1546 CA SER A 93 126.923 6.387 9.786 1.00 0.00 C ATOM 1547 C SER A 93 127.473 7.798 9.570 1.00 0.00 C ATOM 1548 O SER A 93 126.797 8.781 9.802 1.00 0.00 O ATOM 1549 CB SER A 93 127.344 5.845 11.150 1.00 0.00 C ATOM 1550 OG SER A 93 126.281 6.026 12.077 1.00 0.00 O ATOM 0 H SER A 93 128.346 4.941 9.121 1.00 0.00 H new ATOM 0 HA SER A 93 125.838 6.448 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 93 127.597 4.788 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.238 6.362 11.499 1.00 0.00 H new ATOM 0 HG SER A 93 126.548 5.677 12.953 1.00 0.00 H new ATOM 1556 N GLN A 94 128.692 7.905 9.120 1.00 0.00 N ATOM 1557 CA GLN A 94 129.283 9.252 8.881 1.00 0.00 C ATOM 1558 C GLN A 94 128.569 9.931 7.712 1.00 0.00 C ATOM 1559 O GLN A 94 128.155 11.070 7.798 1.00 0.00 O ATOM 1560 CB GLN A 94 130.751 8.989 8.540 1.00 0.00 C ATOM 1561 CG GLN A 94 131.513 8.614 9.812 1.00 0.00 C ATOM 1562 CD GLN A 94 131.858 9.881 10.596 1.00 0.00 C ATOM 1563 OE1 GLN A 94 131.626 9.956 11.786 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.410 10.889 9.975 1.00 0.00 N ATOM 0 H GLN A 94 129.305 7.118 8.907 1.00 0.00 H new ATOM 0 HA GLN A 94 129.183 9.911 9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.827 8.185 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.194 9.876 8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.909 7.947 10.427 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.424 8.073 9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.605 10.827 8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 94 132.646 11.738 10.489 1.00 0.00 H new ATOM 1573 N GLN A 95 128.413 9.234 6.623 1.00 0.00 N ATOM 1574 CA GLN A 95 127.714 9.830 5.452 1.00 0.00 C ATOM 1575 C GLN A 95 126.294 10.230 5.852 1.00 0.00 C ATOM 1576 O GLN A 95 125.776 11.240 5.419 1.00 0.00 O ATOM 1577 CB GLN A 95 127.685 8.722 4.398 1.00 0.00 C ATOM 1578 CG GLN A 95 127.121 9.278 3.089 1.00 0.00 C ATOM 1579 CD GLN A 95 127.621 8.431 1.916 1.00 0.00 C ATOM 1580 OE1 GLN A 95 126.835 7.900 1.158 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.904 8.281 1.737 1.00 0.00 N ATOM 0 H GLN A 95 128.740 8.276 6.493 1.00 0.00 H new ATOM 0 HA GLN A 95 128.210 10.726 5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.690 8.332 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.073 7.890 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.031 9.271 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 95 127.429 10.315 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 95 129.563 8.727 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.248 7.717 0.960 1.00 0.00 H new ATOM 1590 N CYS A 96 125.665 9.447 6.686 1.00 0.00 N ATOM 1591 CA CYS A 96 124.282 9.788 7.124 1.00 0.00 C ATOM 1592 C CYS A 96 124.275 11.178 7.756 1.00 0.00 C ATOM 1593 O CYS A 96 123.394 11.979 7.515 1.00 0.00 O ATOM 1594 CB CYS A 96 123.917 8.724 8.158 1.00 0.00 C ATOM 1595 SG CYS A 96 123.500 7.179 7.314 1.00 0.00 S ATOM 0 H CYS A 96 126.048 8.588 7.082 1.00 0.00 H new ATOM 0 HA CYS A 96 123.572 9.803 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.752 8.564 8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.073 9.061 8.760 1.00 0.00 H new ATOM 0 HG CYS A 96 124.533 6.389 7.319 1.00 0.00 H new ATOM 1601 N LYS A 97 125.260 11.471 8.557 1.00 0.00 N ATOM 1602 CA LYS A 97 125.322 12.814 9.200 1.00 0.00 C ATOM 1603 C LYS A 97 125.602 13.881 8.139 1.00 0.00 C ATOM 1604 O LYS A 97 125.202 15.021 8.265 1.00 0.00 O ATOM 1605 CB LYS A 97 126.481 12.727 10.194 1.00 0.00 C ATOM 1606 CG LYS A 97 126.668 14.082 10.881 1.00 0.00 C ATOM 1607 CD LYS A 97 128.043 14.128 11.552 1.00 0.00 C ATOM 1608 CE LYS A 97 127.909 14.733 12.951 1.00 0.00 C ATOM 1609 NZ LYS A 97 128.385 13.667 13.878 1.00 0.00 N ATOM 0 H LYS A 97 126.025 10.840 8.795 1.00 0.00 H new ATOM 0 HA LYS A 97 124.388 13.085 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.279 11.955 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.397 12.440 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.580 14.887 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.884 14.237 11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 97 128.461 13.124 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 97 128.732 14.722 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 97 128.508 15.638 13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 97 126.877 15.010 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 128.323 14.007 14.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 127.792 12.820 13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 129.373 13.429 13.655 1.00 0.00 H new ATOM 1623 N GLU A 98 126.287 13.513 7.091 1.00 0.00 N ATOM 1624 CA GLU A 98 126.596 14.494 6.014 1.00 0.00 C ATOM 1625 C GLU A 98 125.415 14.601 5.046 1.00 0.00 C ATOM 1626 O GLU A 98 125.330 15.516 4.251 1.00 0.00 O ATOM 1627 CB GLU A 98 127.822 13.923 5.302 1.00 0.00 C ATOM 1628 CG GLU A 98 128.926 13.653 6.325 1.00 0.00 C ATOM 1629 CD GLU A 98 129.885 12.593 5.779 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.781 12.276 4.606 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.707 12.116 6.545 1.00 0.00 O ATOM 0 H GLU A 98 126.647 12.572 6.934 1.00 0.00 H new ATOM 0 HA GLU A 98 126.780 15.495 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.558 13.001 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.176 14.624 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.469 14.573 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.490 13.314 7.265 1.00 0.00 H new ATOM 1638 N ASN A 99 124.503 13.670 5.110 1.00 0.00 N ATOM 1639 CA ASN A 99 123.328 13.711 4.198 1.00 0.00 C ATOM 1640 C ASN A 99 122.028 13.638 5.004 1.00 0.00 C ATOM 1641 O ASN A 99 121.081 12.982 4.615 1.00 0.00 O ATOM 1642 CB ASN A 99 123.475 12.478 3.306 1.00 0.00 C ATOM 1643 CG ASN A 99 124.170 12.869 2.001 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.290 13.339 2.014 1.00 0.00 O ATOM 1645 ND2 ASN A 99 123.549 12.693 0.867 1.00 0.00 N ATOM 0 H ASN A 99 124.522 12.881 5.757 1.00 0.00 H new ATOM 0 HA ASN A 99 123.289 14.632 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.052 11.710 3.821 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.495 12.051 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 99 124.004 12.950 -0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 99 122.609 12.298 0.856 1.00 0.00 H new ATOM 1652 N MET A 100 121.973 14.306 6.124 1.00 0.00 N ATOM 1653 CA MET A 100 120.732 14.271 6.951 1.00 0.00 C ATOM 1654 C MET A 100 119.578 14.940 6.201 1.00 0.00 C ATOM 1655 O MET A 100 118.427 14.587 6.370 1.00 0.00 O ATOM 1656 CB MET A 100 121.075 15.054 8.218 1.00 0.00 C ATOM 1657 CG MET A 100 120.564 14.292 9.443 1.00 0.00 C ATOM 1658 SD MET A 100 120.660 15.359 10.902 1.00 0.00 S ATOM 1659 CE MET A 100 122.412 15.792 10.752 1.00 0.00 C ATOM 0 H MET A 100 122.732 14.873 6.502 1.00 0.00 H new ATOM 0 HA MET A 100 120.416 13.253 7.177 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.153 15.197 8.289 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.624 16.045 8.179 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.535 13.971 9.281 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.158 13.392 9.598 1.00 0.00 H new ATOM 0 HE1 MET A 100 122.792 16.112 11.722 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.974 14.922 10.411 1.00 0.00 H new ATOM 0 HE3 MET A 100 122.526 16.603 10.032 1.00 0.00 H new ATOM 1669 N TYR A 101 119.877 15.899 5.370 1.00 0.00 N ATOM 1670 CA TYR A 101 118.796 16.588 4.607 1.00 0.00 C ATOM 1671 C TYR A 101 118.114 15.600 3.656 1.00 0.00 C ATOM 1672 O TYR A 101 117.068 15.877 3.103 1.00 0.00 O ATOM 1673 CB TYR A 101 119.505 17.687 3.816 1.00 0.00 C ATOM 1674 CG TYR A 101 119.972 18.768 4.761 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.034 19.559 5.436 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.341 18.979 4.962 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.467 20.561 6.313 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.773 19.981 5.840 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.836 20.772 6.515 1.00 0.00 C ATOM 1680 OH TYR A 101 121.262 21.759 7.380 1.00 0.00 O ATOM 0 H TYR A 101 120.822 16.236 5.185 1.00 0.00 H new ATOM 0 HA TYR A 101 118.022 16.992 5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.355 17.270 3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.829 18.107 3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.978 19.396 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.064 18.369 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.744 21.171 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.829 20.143 5.996 1.00 0.00 H new ATOM 0 HH TYR A 101 122.242 21.771 7.405 1.00 0.00 H new ATOM 1690 N ALA A 102 118.700 14.452 3.462 1.00 0.00 N ATOM 1691 CA ALA A 102 118.088 13.445 2.548 1.00 0.00 C ATOM 1692 C ALA A 102 117.155 12.521 3.329 1.00 0.00 C ATOM 1693 O ALA A 102 116.085 12.168 2.873 1.00 0.00 O ATOM 1694 CB ALA A 102 119.269 12.660 1.978 1.00 0.00 C ATOM 0 H ALA A 102 119.577 14.166 3.897 1.00 0.00 H new ATOM 0 HA ALA A 102 117.490 13.908 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.901 11.896 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.933 13.339 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.817 12.184 2.792 1.00 0.00 H new ATOM 1700 N VAL A 103 117.553 12.127 4.505 1.00 0.00 N ATOM 1701 CA VAL A 103 116.692 11.224 5.322 1.00 0.00 C ATOM 1702 C VAL A 103 115.536 12.019 5.934 1.00 0.00 C ATOM 1703 O VAL A 103 114.521 11.469 6.312 1.00 0.00 O ATOM 1704 CB VAL A 103 117.606 10.674 6.422 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.010 9.380 6.979 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.996 10.381 5.847 1.00 0.00 C ATOM 0 H VAL A 103 118.438 12.391 4.938 1.00 0.00 H new ATOM 0 HA VAL A 103 116.254 10.423 4.726 1.00 0.00 H new ATOM 0 HB VAL A 103 117.692 11.414 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.659 8.988 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.023 9.583 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.922 8.646 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.641 9.990 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.911 9.644 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.426 11.300 5.449 1.00 0.00 H new ATOM 1716 N GLN A 104 115.686 13.312 6.034 1.00 0.00 N ATOM 1717 CA GLN A 104 114.602 14.148 6.622 1.00 0.00 C ATOM 1718 C GLN A 104 113.658 14.646 5.522 1.00 0.00 C ATOM 1719 O GLN A 104 112.498 14.917 5.763 1.00 0.00 O ATOM 1720 CB GLN A 104 115.326 15.322 7.283 1.00 0.00 C ATOM 1721 CG GLN A 104 116.185 14.804 8.438 1.00 0.00 C ATOM 1722 CD GLN A 104 116.973 15.965 9.048 1.00 0.00 C ATOM 1723 OE1 GLN A 104 118.004 16.351 8.533 1.00 0.00 O ATOM 1724 NE2 GLN A 104 116.530 16.540 10.133 1.00 0.00 N ATOM 0 H GLN A 104 116.514 13.826 5.733 1.00 0.00 H new ATOM 0 HA GLN A 104 113.990 13.593 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.951 15.836 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.602 16.049 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.553 14.341 9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.869 14.035 8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 104 115.665 16.216 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 104 117.049 17.313 10.549 1.00 0.00 H new ATOM 1733 N THR A 105 114.145 14.767 4.318 1.00 0.00 N ATOM 1734 CA THR A 105 113.275 15.246 3.204 1.00 0.00 C ATOM 1735 C THR A 105 112.165 14.230 2.927 1.00 0.00 C ATOM 1736 O THR A 105 111.184 14.528 2.274 1.00 0.00 O ATOM 1737 CB THR A 105 114.204 15.368 1.996 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.548 16.096 0.968 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.565 13.972 1.484 1.00 0.00 C ATOM 0 H THR A 105 115.108 14.555 4.056 1.00 0.00 H new ATOM 0 HA THR A 105 112.789 16.193 3.439 1.00 0.00 H new ATOM 0 HB THR A 105 115.114 15.892 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.143 16.176 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.227 14.060 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.069 13.414 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.657 13.446 1.191 1.00 0.00 H new ATOM 1747 N LEU A 106 112.313 13.031 3.418 1.00 0.00 N ATOM 1748 CA LEU A 106 111.270 11.994 3.184 1.00 0.00 C ATOM 1749 C LEU A 106 110.004 12.323 3.981 1.00 0.00 C ATOM 1750 O LEU A 106 108.899 12.154 3.505 1.00 0.00 O ATOM 1751 CB LEU A 106 111.895 10.689 3.680 1.00 0.00 C ATOM 1752 CG LEU A 106 112.716 10.062 2.551 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.434 8.813 3.067 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.781 9.678 1.402 1.00 0.00 C ATOM 0 H LEU A 106 113.113 12.724 3.972 1.00 0.00 H new ATOM 0 HA LEU A 106 110.975 11.933 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.531 10.882 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.116 10.000 4.005 1.00 0.00 H new ATOM 0 HG LEU A 106 113.456 10.780 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.017 8.369 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.098 9.088 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.699 8.091 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.361 9.231 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.042 8.960 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.273 10.569 1.033 1.00 0.00 H new ATOM 1766 N LYS A 107 110.158 12.792 5.189 1.00 0.00 N ATOM 1767 CA LYS A 107 108.962 13.133 6.013 1.00 0.00 C ATOM 1768 C LYS A 107 107.999 14.010 5.209 1.00 0.00 C ATOM 1769 O LYS A 107 106.796 13.925 5.355 1.00 0.00 O ATOM 1770 CB LYS A 107 109.513 13.905 7.213 1.00 0.00 C ATOM 1771 CG LYS A 107 110.455 13.002 8.013 1.00 0.00 C ATOM 1772 CD LYS A 107 110.805 13.677 9.342 1.00 0.00 C ATOM 1773 CE LYS A 107 111.530 14.996 9.072 1.00 0.00 C ATOM 1774 NZ LYS A 107 110.871 15.988 9.968 1.00 0.00 N ATOM 0 H LYS A 107 111.058 12.954 5.641 1.00 0.00 H new ATOM 0 HA LYS A 107 108.406 12.247 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.045 14.794 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 107 108.694 14.246 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 107 109.982 12.037 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 107 111.363 12.808 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.898 13.860 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 107 111.436 13.020 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 107 112.595 14.913 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 107 111.441 15.289 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 111.315 16.920 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 109.860 16.050 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 110.978 15.687 10.958 1.00 0.00 H new ATOM 1987 N VAL A 121 102.556 8.003 5.272 1.00 0.00 N ATOM 1988 CA VAL A 121 102.977 8.131 6.695 1.00 0.00 C ATOM 1989 C VAL A 121 104.023 7.066 7.032 1.00 0.00 C ATOM 1990 O VAL A 121 105.011 7.332 7.685 1.00 0.00 O ATOM 1991 CB VAL A 121 101.697 7.912 7.505 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.372 6.418 7.585 1.00 0.00 C ATOM 1993 CG2 VAL A 121 101.887 8.466 8.918 1.00 0.00 C ATOM 0 HA VAL A 121 103.432 9.098 6.910 1.00 0.00 H new ATOM 0 HB VAL A 121 100.874 8.430 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.459 6.275 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.230 6.022 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.195 5.892 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 121 100.976 8.310 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 121 102.716 7.950 9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.105 9.533 8.864 1.00 0.00 H new ATOM 2003 N ASN A 122 103.804 5.861 6.592 1.00 0.00 N ATOM 2004 CA ASN A 122 104.776 4.769 6.883 1.00 0.00 C ATOM 2005 C ASN A 122 106.198 5.202 6.508 1.00 0.00 C ATOM 2006 O ASN A 122 107.125 5.059 7.281 1.00 0.00 O ATOM 2007 CB ASN A 122 104.329 3.593 6.014 1.00 0.00 C ATOM 2008 CG ASN A 122 104.087 2.369 6.899 1.00 0.00 C ATOM 2009 OD1 ASN A 122 103.338 2.435 7.853 1.00 0.00 O ATOM 2010 ND2 ASN A 122 104.696 1.248 6.623 1.00 0.00 N ATOM 0 H ASN A 122 102.992 5.582 6.041 1.00 0.00 H new ATOM 0 HA ASN A 122 104.794 4.511 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.418 3.851 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.090 3.370 5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 122 104.543 0.427 7.209 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.325 1.193 5.822 1.00 0.00 H new ATOM 2017 N VAL A 123 106.379 5.723 5.326 1.00 0.00 N ATOM 2018 CA VAL A 123 107.742 6.157 4.903 1.00 0.00 C ATOM 2019 C VAL A 123 108.103 7.497 5.556 1.00 0.00 C ATOM 2020 O VAL A 123 109.252 7.893 5.585 1.00 0.00 O ATOM 2021 CB VAL A 123 107.653 6.308 3.385 1.00 0.00 C ATOM 2022 CG1 VAL A 123 106.741 7.487 3.042 1.00 0.00 C ATOM 2023 CG2 VAL A 123 109.050 6.560 2.815 1.00 0.00 C ATOM 0 H VAL A 123 105.643 5.867 4.635 1.00 0.00 H new ATOM 0 HA VAL A 123 108.512 5.445 5.200 1.00 0.00 H new ATOM 0 HB VAL A 123 107.244 5.395 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 123 106.677 7.595 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 123 105.745 7.307 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 123 107.149 8.401 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.987 6.668 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.460 7.473 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 123 109.700 5.719 3.059 1.00 0.00 H new ATOM 2033 N ARG A 124 107.135 8.196 6.077 1.00 0.00 N ATOM 2034 CA ARG A 124 107.430 9.510 6.722 1.00 0.00 C ATOM 2035 C ARG A 124 108.010 9.304 8.122 1.00 0.00 C ATOM 2036 O ARG A 124 109.157 9.612 8.383 1.00 0.00 O ATOM 2037 CB ARG A 124 106.081 10.226 6.802 1.00 0.00 C ATOM 2038 CG ARG A 124 106.210 11.445 7.718 1.00 0.00 C ATOM 2039 CD ARG A 124 105.544 11.147 9.063 1.00 0.00 C ATOM 2040 NE ARG A 124 104.843 12.409 9.431 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.677 12.360 10.015 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.317 11.287 10.665 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.873 13.385 9.953 1.00 0.00 N ATOM 0 H ARG A 124 106.154 7.918 6.086 1.00 0.00 H new ATOM 0 HA ARG A 124 108.166 10.084 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.761 10.536 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.318 9.548 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.261 11.691 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 124 105.743 12.313 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 124 104.844 10.315 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.281 10.870 9.816 1.00 0.00 H new ATOM 0 HE ARG A 124 105.274 13.311 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.947 10.487 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.406 11.249 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.156 14.225 9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.962 13.347 10.409 1.00 0.00 H new ATOM 2057 N GLU A 125 107.223 8.795 9.024 1.00 0.00 N ATOM 2058 CA GLU A 125 107.719 8.576 10.414 1.00 0.00 C ATOM 2059 C GLU A 125 108.916 7.619 10.417 1.00 0.00 C ATOM 2060 O GLU A 125 109.897 7.844 11.098 1.00 0.00 O ATOM 2061 CB GLU A 125 106.536 7.965 11.167 1.00 0.00 C ATOM 2062 CG GLU A 125 106.250 6.562 10.627 1.00 0.00 C ATOM 2063 CD GLU A 125 104.944 6.040 11.231 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.961 5.655 12.389 1.00 0.00 O ATOM 2065 OE2 GLU A 125 103.948 6.036 10.526 1.00 0.00 O ATOM 0 H GLU A 125 106.255 8.519 8.861 1.00 0.00 H new ATOM 0 HA GLU A 125 108.062 9.502 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.757 7.917 12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 125 105.655 8.596 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.176 6.587 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 125 107.072 5.891 10.875 1.00 0.00 H new ATOM 2072 N LYS A 126 108.846 6.553 9.665 1.00 0.00 N ATOM 2073 CA LYS A 126 109.985 5.591 9.637 1.00 0.00 C ATOM 2074 C LYS A 126 111.282 6.320 9.284 1.00 0.00 C ATOM 2075 O LYS A 126 112.277 6.205 9.972 1.00 0.00 O ATOM 2076 CB LYS A 126 109.627 4.579 8.549 1.00 0.00 C ATOM 2077 CG LYS A 126 110.497 3.330 8.711 1.00 0.00 C ATOM 2078 CD LYS A 126 111.767 3.476 7.868 1.00 0.00 C ATOM 2079 CE LYS A 126 112.758 2.370 8.243 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.532 2.922 9.389 1.00 0.00 N ATOM 0 H LYS A 126 108.053 6.308 9.072 1.00 0.00 H new ATOM 0 HA LYS A 126 110.142 5.110 10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 126 108.572 4.312 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 126 109.781 5.018 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.759 3.190 9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 126 109.942 2.445 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 126 111.522 3.415 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.217 4.455 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.239 1.453 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.412 2.125 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 114.418 2.389 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.750 3.923 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 112.969 2.840 10.260 1.00 0.00 H new ATOM 2094 N ALA A 127 111.282 7.072 8.218 1.00 0.00 N ATOM 2095 CA ALA A 127 112.518 7.808 7.829 1.00 0.00 C ATOM 2096 C ALA A 127 113.019 8.656 9.003 1.00 0.00 C ATOM 2097 O ALA A 127 114.201 8.725 9.270 1.00 0.00 O ATOM 2098 CB ALA A 127 112.099 8.701 6.661 1.00 0.00 C ATOM 0 H ALA A 127 110.482 7.209 7.601 1.00 0.00 H new ATOM 0 HA ALA A 127 113.330 7.135 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 127 112.958 9.277 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 127 111.727 8.082 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.313 9.382 6.987 1.00 0.00 H new ATOM 2104 N LYS A 128 112.127 9.297 9.709 1.00 0.00 N ATOM 2105 CA LYS A 128 112.555 10.136 10.865 1.00 0.00 C ATOM 2106 C LYS A 128 113.321 9.281 11.879 1.00 0.00 C ATOM 2107 O LYS A 128 114.306 9.709 12.449 1.00 0.00 O ATOM 2108 CB LYS A 128 111.257 10.659 11.480 1.00 0.00 C ATOM 2109 CG LYS A 128 111.584 11.524 12.699 1.00 0.00 C ATOM 2110 CD LYS A 128 110.316 12.233 13.178 1.00 0.00 C ATOM 2111 CE LYS A 128 109.314 11.196 13.693 1.00 0.00 C ATOM 2112 NZ LYS A 128 107.995 11.886 13.652 1.00 0.00 N ATOM 0 H LYS A 128 111.122 9.276 9.536 1.00 0.00 H new ATOM 0 HA LYS A 128 113.218 10.947 10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.703 11.242 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.619 9.825 11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.991 10.905 13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 128 112.349 12.257 12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 128 110.560 12.942 13.969 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.876 12.805 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 128 109.313 10.303 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.561 10.876 14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 107.254 11.239 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 108.025 12.728 14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 107.784 12.173 12.675 1.00 0.00 H new ATOM 2126 N GLN A 129 112.875 8.076 12.108 1.00 0.00 N ATOM 2127 CA GLN A 129 113.575 7.194 13.085 1.00 0.00 C ATOM 2128 C GLN A 129 115.040 7.016 12.680 1.00 0.00 C ATOM 2129 O GLN A 129 115.938 7.168 13.484 1.00 0.00 O ATOM 2130 CB GLN A 129 112.834 5.859 13.015 1.00 0.00 C ATOM 2131 CG GLN A 129 111.715 5.839 14.059 1.00 0.00 C ATOM 2132 CD GLN A 129 111.179 4.414 14.206 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.312 3.806 15.248 1.00 0.00 O ATOM 2134 NE2 GLN A 129 110.573 3.851 13.195 1.00 0.00 N ATOM 0 H GLN A 129 112.056 7.664 11.661 1.00 0.00 H new ATOM 0 HA GLN A 129 113.572 7.609 14.093 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.418 5.714 12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.527 5.037 13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.091 6.198 15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 129 110.912 6.512 13.759 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.461 4.361 12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 129 110.212 2.901 13.282 1.00 0.00 H new ATOM 2143 N LEU A 130 115.291 6.700 11.438 1.00 0.00 N ATOM 2144 CA LEU A 130 116.701 6.520 10.992 1.00 0.00 C ATOM 2145 C LEU A 130 117.494 7.799 11.263 1.00 0.00 C ATOM 2146 O LEU A 130 118.688 7.767 11.493 1.00 0.00 O ATOM 2147 CB LEU A 130 116.615 6.240 9.490 1.00 0.00 C ATOM 2148 CG LEU A 130 118.010 5.923 8.937 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.760 5.004 9.907 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.868 5.220 7.584 1.00 0.00 C ATOM 0 H LEU A 130 114.584 6.559 10.717 1.00 0.00 H new ATOM 0 HA LEU A 130 117.207 5.711 11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.942 5.403 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.197 7.104 8.974 1.00 0.00 H new ATOM 0 HG LEU A 130 118.569 6.851 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.750 4.783 9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.861 5.499 10.873 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.204 4.075 10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.857 4.992 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.307 4.294 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.339 5.872 6.889 1.00 0.00 H new ATOM 2162 N VAL A 131 116.836 8.924 11.250 1.00 0.00 N ATOM 2163 CA VAL A 131 117.542 10.206 11.521 1.00 0.00 C ATOM 2164 C VAL A 131 117.765 10.358 13.026 1.00 0.00 C ATOM 2165 O VAL A 131 118.700 10.996 13.468 1.00 0.00 O ATOM 2166 CB VAL A 131 116.599 11.293 11.003 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.070 12.660 11.503 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.602 11.282 9.473 1.00 0.00 C ATOM 0 H VAL A 131 115.837 9.011 11.063 1.00 0.00 H new ATOM 0 HA VAL A 131 118.519 10.259 11.042 1.00 0.00 H new ATOM 0 HB VAL A 131 115.590 11.102 11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.397 13.434 11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.069 12.669 12.593 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.079 12.852 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 131 115.930 12.056 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 131 117.612 11.473 9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.266 10.309 9.115 1.00 0.00 H new ATOM 2178 N ALA A 132 116.908 9.768 13.816 1.00 0.00 N ATOM 2179 CA ALA A 132 117.058 9.866 15.296 1.00 0.00 C ATOM 2180 C ALA A 132 118.238 9.011 15.767 1.00 0.00 C ATOM 2181 O ALA A 132 119.126 9.484 16.449 1.00 0.00 O ATOM 2182 CB ALA A 132 115.743 9.324 15.862 1.00 0.00 C ATOM 0 H ALA A 132 116.108 9.221 13.498 1.00 0.00 H new ATOM 0 HA ALA A 132 117.255 10.886 15.625 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.773 9.362 16.951 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.913 9.931 15.500 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.605 8.292 15.539 1.00 0.00 H new ATOM 2188 N LEU A 133 118.257 7.757 15.406 1.00 0.00 N ATOM 2189 CA LEU A 133 119.382 6.875 15.833 1.00 0.00 C ATOM 2190 C LEU A 133 120.719 7.471 15.386 1.00 0.00 C ATOM 2191 O LEU A 133 121.728 7.322 16.046 1.00 0.00 O ATOM 2192 CB LEU A 133 119.130 5.540 15.132 1.00 0.00 C ATOM 2193 CG LEU A 133 118.801 4.469 16.172 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.424 4.749 16.777 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.790 3.094 15.500 1.00 0.00 C ATOM 0 H LEU A 133 117.543 7.305 14.834 1.00 0.00 H new ATOM 0 HA LEU A 133 119.429 6.763 16.916 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.307 5.639 14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 133 120.010 5.247 14.559 1.00 0.00 H new ATOM 0 HG LEU A 133 119.554 4.485 16.960 1.00 0.00 H new ATOM 0 HD11 LEU A 133 117.190 3.985 17.518 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.429 5.729 17.255 1.00 0.00 H new ATOM 0 HD13 LEU A 133 116.671 4.733 15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.556 2.329 16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.036 3.080 14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 133 119.770 2.892 15.068 1.00 0.00 H new ATOM 2207 N LEU A 134 120.735 8.145 14.269 1.00 0.00 N ATOM 2208 CA LEU A 134 122.007 8.750 13.780 1.00 0.00 C ATOM 2209 C LEU A 134 122.294 10.055 14.529 1.00 0.00 C ATOM 2210 O LEU A 134 123.423 10.492 14.625 1.00 0.00 O ATOM 2211 CB LEU A 134 121.770 9.024 12.295 1.00 0.00 C ATOM 2212 CG LEU A 134 121.887 7.717 11.508 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.243 7.889 10.132 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.365 7.356 11.337 1.00 0.00 C ATOM 0 H LEU A 134 119.922 8.303 13.673 1.00 0.00 H new ATOM 0 HA LEU A 134 122.864 8.097 13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.783 9.462 12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.497 9.748 11.928 1.00 0.00 H new ATOM 0 HG LEU A 134 121.377 6.920 12.050 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.327 6.958 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.191 8.147 10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.752 8.686 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.450 6.425 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.874 8.153 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.825 7.232 12.317 1.00 0.00 H new