USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 50:sc= 0.0862 USER MOD Set 1.2: A 147 HIS : no HD1:sc= 0 X(o=0.086,f=-0.12) USER MOD Set 2.1: A 5 SER OG : rot -78:sc= 1.52 USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 131 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.59 (180deg=0.852) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.972) USER MOD Single : A 32 GLN : amide:sc= -0.331 K(o=-0.33,f=-0.95) USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00322 USER MOD Single : A 35 SER OG : rot -17:sc= 0.118 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -38:sc= 0.256 USER MOD Single : A 61 GLN : amide:sc= -2.51 K(o=-2.5,f=-0.26) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 44:sc= 0.47 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 81 SER OG : rot 164:sc= 0.654 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 25:sc= 1.2 USER MOD Single : A 98 TYR OH : rot 125:sc= 0.232 USER MOD Single : A 110 GLN : amide:sc= 0.123 K(o=0.12,f=-1.5) USER MOD Single : A 112 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -3:sc= 0.529 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -135:sc= 1.33 USER MOD Single : A 153 GLN : amide:sc= 0.0452 K(o=0.045,f=-1.7!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.185 -2.279 -13.001 1.00 0.00 N ATOM 2 CA MET A 1 -9.693 -2.211 -11.596 1.00 0.00 C ATOM 3 C MET A 1 -9.532 -3.497 -10.678 1.00 0.00 C ATOM 4 O MET A 1 -10.393 -3.731 -9.827 1.00 0.00 O ATOM 5 CB MET A 1 -11.129 -1.591 -11.672 1.00 0.00 C ATOM 6 CG MET A 1 -12.268 -2.457 -12.279 1.00 0.00 C ATOM 7 SD MET A 1 -12.203 -2.470 -14.088 1.00 0.00 S ATOM 8 CE MET A 1 -13.410 -1.197 -14.491 1.00 0.00 C ATOM 0 H1 MET A 1 -8.866 -1.336 -13.301 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.389 -2.946 -13.050 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.947 -2.603 -13.630 1.00 0.00 H new ATOM 0 HA MET A 1 -9.026 -1.568 -11.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.425 -1.311 -10.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.065 -0.670 -12.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.189 -3.477 -11.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.233 -2.071 -11.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.480 -1.091 -15.574 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.384 -1.479 -14.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.098 -0.249 -14.053 1.00 0.00 H new ATOM 20 N GLU A 2 -8.414 -4.269 -10.748 1.00 0.00 N ATOM 21 CA GLU A 2 -7.991 -5.177 -9.618 1.00 0.00 C ATOM 22 C GLU A 2 -7.371 -4.349 -8.423 1.00 0.00 C ATOM 23 O GLU A 2 -6.936 -3.200 -8.598 1.00 0.00 O ATOM 24 CB GLU A 2 -7.092 -6.382 -10.095 1.00 0.00 C ATOM 25 CG GLU A 2 -5.595 -6.087 -10.442 1.00 0.00 C ATOM 26 CD GLU A 2 -4.473 -7.136 -10.423 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.698 -8.330 -10.692 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.311 -6.728 -10.176 1.00 0.00 O ATOM 0 H GLU A 2 -7.791 -4.290 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.891 -5.654 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.111 -7.142 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.560 -6.819 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.596 -5.665 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.279 -5.295 -9.764 1.00 0.00 H new ATOM 35 N LEU A 3 -7.330 -4.914 -7.208 1.00 0.00 N ATOM 36 CA LEU A 3 -6.783 -4.214 -6.004 1.00 0.00 C ATOM 37 C LEU A 3 -5.593 -4.985 -5.353 1.00 0.00 C ATOM 38 O LEU A 3 -5.653 -6.200 -5.143 1.00 0.00 O ATOM 39 CB LEU A 3 -7.943 -3.974 -4.993 1.00 0.00 C ATOM 40 CG LEU A 3 -8.454 -2.511 -4.911 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.801 -2.472 -4.187 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.497 -1.565 -4.161 1.00 0.00 C ATOM 0 H LEU A 3 -7.667 -5.858 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.370 -3.254 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.779 -4.620 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.610 -4.282 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.533 -2.166 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.155 -1.443 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.525 -3.076 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.684 -2.869 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.919 -0.560 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.361 -1.920 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.533 -1.545 -4.669 1.00 0.00 H new ATOM 54 N VAL A 4 -4.527 -4.254 -4.985 1.00 0.00 N ATOM 55 CA VAL A 4 -3.262 -4.866 -4.469 1.00 0.00 C ATOM 56 C VAL A 4 -2.628 -4.041 -3.285 1.00 0.00 C ATOM 57 O VAL A 4 -2.700 -2.808 -3.253 1.00 0.00 O ATOM 58 CB VAL A 4 -2.321 -5.144 -5.697 1.00 0.00 C ATOM 59 CG1 VAL A 4 -1.807 -3.891 -6.455 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.155 -6.091 -5.356 1.00 0.00 C ATOM 0 H VAL A 4 -4.503 -3.235 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.460 -5.826 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.988 -5.647 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.168 -4.202 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.655 -3.328 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.236 -3.261 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.540 -6.245 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.548 -5.650 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.551 -7.049 -5.018 1.00 0.00 H new ATOM 70 N SER A 5 -2.009 -4.717 -2.297 1.00 0.00 N ATOM 71 CA SER A 5 -1.470 -4.061 -1.056 1.00 0.00 C ATOM 72 C SER A 5 0.082 -3.890 -1.099 1.00 0.00 C ATOM 73 O SER A 5 0.792 -4.882 -1.279 1.00 0.00 O ATOM 74 CB SER A 5 -1.873 -4.902 0.186 1.00 0.00 C ATOM 75 OG SER A 5 -2.259 -4.053 1.263 1.00 0.00 O ATOM 0 H SER A 5 -1.862 -5.726 -2.321 1.00 0.00 H new ATOM 0 HA SER A 5 -1.902 -3.062 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.696 -5.569 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.037 -5.531 0.493 1.00 0.00 H new ATOM 0 HG SER A 5 -1.459 -3.686 1.693 1.00 0.00 H new ATOM 81 N VAL A 6 0.624 -2.668 -0.962 1.00 0.00 N ATOM 82 CA VAL A 6 2.015 -2.346 -1.425 1.00 0.00 C ATOM 83 C VAL A 6 2.819 -1.630 -0.267 1.00 0.00 C ATOM 84 O VAL A 6 2.709 -0.424 -0.039 1.00 0.00 O ATOM 85 CB VAL A 6 2.039 -1.695 -2.875 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.845 -2.027 -3.817 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.201 -0.166 -2.968 1.00 0.00 C ATOM 0 H VAL A 6 0.135 -1.880 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 6 2.583 -3.259 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 6 2.950 -2.193 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.984 -1.521 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.798 -3.104 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.085 -1.689 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.200 0.137 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.375 0.320 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.143 0.129 -2.506 1.00 0.00 H new ATOM 97 N ALA A 7 3.641 -2.387 0.484 1.00 0.00 N ATOM 98 CA ALA A 7 4.335 -1.902 1.718 1.00 0.00 C ATOM 99 C ALA A 7 5.867 -2.233 1.764 1.00 0.00 C ATOM 100 O ALA A 7 6.379 -2.985 0.932 1.00 0.00 O ATOM 101 CB ALA A 7 3.558 -2.530 2.894 1.00 0.00 C ATOM 0 H ALA A 7 3.851 -3.360 0.260 1.00 0.00 H new ATOM 0 HA ALA A 7 4.324 -0.813 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.010 -2.219 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.520 -2.199 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.595 -3.617 2.815 1.00 0.00 H new ATOM 107 N ALA A 8 6.607 -1.667 2.739 1.00 0.00 N ATOM 108 CA ALA A 8 8.031 -2.035 3.005 1.00 0.00 C ATOM 109 C ALA A 8 8.237 -2.508 4.486 1.00 0.00 C ATOM 110 O ALA A 8 7.979 -1.743 5.420 1.00 0.00 O ATOM 111 CB ALA A 8 8.901 -0.819 2.627 1.00 0.00 C ATOM 0 H ALA A 8 6.247 -0.947 3.365 1.00 0.00 H new ATOM 0 HA ALA A 8 8.331 -2.889 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.950 -1.052 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.759 -0.584 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.610 0.039 3.233 1.00 0.00 H new ATOM 117 N LEU A 9 8.696 -3.755 4.698 1.00 0.00 N ATOM 118 CA LEU A 9 8.958 -4.306 6.065 1.00 0.00 C ATOM 119 C LEU A 9 10.477 -4.264 6.440 1.00 0.00 C ATOM 120 O LEU A 9 11.294 -4.930 5.801 1.00 0.00 O ATOM 121 CB LEU A 9 8.477 -5.787 6.170 1.00 0.00 C ATOM 122 CG LEU A 9 6.967 -6.089 6.066 1.00 0.00 C ATOM 123 CD1 LEU A 9 6.747 -7.606 6.176 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.124 -5.391 7.144 1.00 0.00 C ATOM 0 H LEU A 9 8.898 -4.412 3.944 1.00 0.00 H new ATOM 0 HA LEU A 9 8.402 -3.674 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.981 -6.354 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.827 -6.181 7.124 1.00 0.00 H new ATOM 0 HG LEU A 9 6.638 -5.702 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.682 -7.825 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.277 -8.110 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.126 -7.960 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.074 -5.649 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.453 -5.717 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.246 -4.311 7.059 1.00 0.00 H new ATOM 136 N ALA A 10 10.826 -3.583 7.542 1.00 0.00 N ATOM 137 CA ALA A 10 12.205 -3.613 8.120 1.00 0.00 C ATOM 138 C ALA A 10 12.473 -4.753 9.174 1.00 0.00 C ATOM 139 O ALA A 10 12.995 -4.498 10.263 1.00 0.00 O ATOM 140 CB ALA A 10 12.335 -2.212 8.757 1.00 0.00 C ATOM 0 H ALA A 10 10.176 -2.996 8.064 1.00 0.00 H new ATOM 0 HA ALA A 10 12.944 -3.838 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.317 -2.112 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.217 -1.450 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.563 -2.084 9.515 1.00 0.00 H new ATOM 400 N PRO A 27 16.824 2.549 -2.813 1.00 0.00 N ATOM 401 CA PRO A 27 16.190 2.797 -4.145 1.00 0.00 C ATOM 402 C PRO A 27 15.859 1.561 -5.062 1.00 0.00 C ATOM 403 O PRO A 27 15.192 1.748 -6.083 1.00 0.00 O ATOM 404 CB PRO A 27 17.158 3.828 -4.759 1.00 0.00 C ATOM 405 CG PRO A 27 18.521 3.542 -4.126 1.00 0.00 C ATOM 406 CD PRO A 27 18.199 3.072 -2.703 1.00 0.00 C ATOM 0 HA PRO A 27 15.162 3.142 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.201 3.728 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.833 4.846 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.063 2.777 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.148 4.434 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.895 2.303 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.260 3.891 -1.987 1.00 0.00 H new ATOM 414 N ALA A 28 16.263 0.329 -4.700 1.00 0.00 N ATOM 415 CA ALA A 28 15.817 -0.932 -5.359 1.00 0.00 C ATOM 416 C ALA A 28 14.377 -1.440 -4.992 1.00 0.00 C ATOM 417 O ALA A 28 13.619 -1.756 -5.915 1.00 0.00 O ATOM 418 CB ALA A 28 16.914 -1.983 -5.108 1.00 0.00 C ATOM 0 H ALA A 28 16.916 0.170 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 28 15.697 -0.729 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.628 -2.926 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.855 -1.637 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.037 -2.132 -4.035 1.00 0.00 H new ATOM 424 N ASP A 29 13.950 -1.462 -3.708 1.00 0.00 N ATOM 425 CA ASP A 29 12.500 -1.608 -3.341 1.00 0.00 C ATOM 426 C ASP A 29 11.548 -0.553 -4.034 1.00 0.00 C ATOM 427 O ASP A 29 10.573 -0.905 -4.707 1.00 0.00 O ATOM 428 CB ASP A 29 12.320 -1.762 -1.798 1.00 0.00 C ATOM 429 CG ASP A 29 11.699 -0.594 -1.035 1.00 0.00 C ATOM 430 OD1 ASP A 29 12.415 0.386 -0.749 1.00 0.00 O ATOM 431 OD2 ASP A 29 10.466 -0.599 -0.839 1.00 0.00 O ATOM 0 H ASP A 29 14.575 -1.382 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 29 12.151 -2.546 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.705 -2.644 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.300 -1.963 -1.365 1.00 0.00 H new ATOM 436 N LYS A 30 11.924 0.736 -3.940 1.00 0.00 N ATOM 437 CA LYS A 30 11.265 1.848 -4.685 1.00 0.00 C ATOM 438 C LYS A 30 11.601 1.918 -6.232 1.00 0.00 C ATOM 439 O LYS A 30 11.226 2.883 -6.907 1.00 0.00 O ATOM 440 CB LYS A 30 11.481 3.198 -3.924 1.00 0.00 C ATOM 441 CG LYS A 30 11.418 3.248 -2.363 1.00 0.00 C ATOM 442 CD LYS A 30 10.265 2.494 -1.653 1.00 0.00 C ATOM 443 CE LYS A 30 8.878 3.142 -1.591 1.00 0.00 C ATOM 444 NZ LYS A 30 8.827 4.165 -0.504 1.00 0.00 N ATOM 0 H LYS A 30 12.694 1.046 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 30 10.197 1.630 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.458 3.581 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.737 3.901 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.359 2.855 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.364 4.295 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.154 1.527 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.582 2.298 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.645 3.608 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.121 2.378 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.880 4.594 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.029 3.711 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.536 4.903 -0.688 1.00 0.00 H new ATOM 458 N LYS A 31 12.208 0.871 -6.831 1.00 0.00 N ATOM 459 CA LYS A 31 11.914 0.453 -8.224 1.00 0.00 C ATOM 460 C LYS A 31 10.654 -0.442 -8.401 1.00 0.00 C ATOM 461 O LYS A 31 9.846 -0.106 -9.257 1.00 0.00 O ATOM 462 CB LYS A 31 13.116 -0.223 -8.941 1.00 0.00 C ATOM 463 CG LYS A 31 14.379 0.627 -9.184 1.00 0.00 C ATOM 464 CD LYS A 31 14.171 2.022 -9.823 1.00 0.00 C ATOM 465 CE LYS A 31 13.435 2.060 -11.189 1.00 0.00 C ATOM 466 NZ LYS A 31 11.982 2.431 -11.069 1.00 0.00 N ATOM 0 H LYS A 31 12.911 0.294 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 31 11.702 1.410 -8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.407 -1.096 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.767 -0.588 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.885 0.763 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.053 0.058 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.613 2.639 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.148 2.487 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.933 2.776 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.516 1.083 -11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.650 2.831 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.425 1.583 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.865 3.136 -10.313 1.00 0.00 H new ATOM 480 N GLN A 32 10.499 -1.574 -7.700 1.00 0.00 N ATOM 481 CA GLN A 32 9.299 -2.457 -7.844 1.00 0.00 C ATOM 482 C GLN A 32 7.952 -1.870 -7.289 1.00 0.00 C ATOM 483 O GLN A 32 6.939 -1.821 -7.996 1.00 0.00 O ATOM 484 CB GLN A 32 9.674 -3.817 -7.204 1.00 0.00 C ATOM 485 CG GLN A 32 8.802 -5.010 -7.669 1.00 0.00 C ATOM 486 CD GLN A 32 9.221 -5.663 -8.998 1.00 0.00 C ATOM 487 OE1 GLN A 32 9.450 -5.005 -10.006 1.00 0.00 O ATOM 488 NE2 GLN A 32 9.345 -6.964 -9.061 1.00 0.00 N ATOM 0 H GLN A 32 11.182 -1.913 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 32 9.070 -2.562 -8.904 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.717 -4.036 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.596 -3.728 -6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.816 -5.772 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.771 -4.669 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.160 -7.534 -8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.627 -7.408 -9.935 1.00 0.00 H new ATOM 497 N TYR A 33 7.968 -1.351 -6.047 1.00 0.00 N ATOM 498 CA TYR A 33 6.927 -0.426 -5.505 1.00 0.00 C ATOM 499 C TYR A 33 6.634 0.838 -6.406 1.00 0.00 C ATOM 500 O TYR A 33 5.463 1.166 -6.597 1.00 0.00 O ATOM 501 CB TYR A 33 7.420 -0.050 -4.070 1.00 0.00 C ATOM 502 CG TYR A 33 6.454 0.551 -3.018 1.00 0.00 C ATOM 503 CD1 TYR A 33 5.852 1.798 -3.240 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.414 0.005 -1.728 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.279 2.505 -2.182 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.843 0.717 -0.672 1.00 0.00 C ATOM 507 CZ TYR A 33 5.277 1.962 -0.907 1.00 0.00 C ATOM 508 OH TYR A 33 4.631 2.608 0.106 1.00 0.00 O ATOM 0 H TYR A 33 8.708 -1.558 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 33 5.956 -0.921 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.843 -0.954 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.239 0.659 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.832 2.214 -4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.829 -0.976 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.837 3.475 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.842 0.300 0.324 1.00 0.00 H new ATOM 0 HH TYR A 33 4.725 2.093 0.935 1.00 0.00 H new ATOM 518 N ARG A 34 7.657 1.512 -6.994 1.00 0.00 N ATOM 519 CA ARG A 34 7.438 2.496 -8.110 1.00 0.00 C ATOM 520 C ARG A 34 7.695 1.858 -9.537 1.00 0.00 C ATOM 521 O ARG A 34 8.564 2.290 -10.307 1.00 0.00 O ATOM 522 CB ARG A 34 8.258 3.797 -7.808 1.00 0.00 C ATOM 523 CG ARG A 34 7.731 5.098 -8.475 1.00 0.00 C ATOM 524 CD ARG A 34 8.603 6.351 -8.214 1.00 0.00 C ATOM 525 NE ARG A 34 7.907 7.550 -8.779 1.00 0.00 N ATOM 526 CZ ARG A 34 8.336 8.814 -8.739 1.00 0.00 C ATOM 527 NH1 ARG A 34 9.503 9.168 -8.279 1.00 0.00 N ATOM 528 NH2 ARG A 34 7.553 9.753 -9.181 1.00 0.00 N ATOM 0 H ARG A 34 8.634 1.400 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 34 6.387 2.783 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.280 3.948 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.287 3.638 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.661 4.937 -9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.721 5.292 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.768 6.480 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.583 6.231 -8.676 1.00 0.00 H new ATOM 0 HE ARG A 34 7.013 7.384 -9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.147 8.461 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.773 10.152 -8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.631 9.517 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.860 10.725 -9.160 1.00 0.00 H new ATOM 542 N SER A 35 6.939 0.787 -9.840 1.00 0.00 N ATOM 543 CA SER A 35 6.790 0.157 -11.189 1.00 0.00 C ATOM 544 C SER A 35 5.501 -0.749 -11.292 1.00 0.00 C ATOM 545 O SER A 35 5.022 -0.948 -12.408 1.00 0.00 O ATOM 546 CB SER A 35 8.026 -0.636 -11.673 1.00 0.00 C ATOM 547 OG SER A 35 7.837 -1.064 -13.025 1.00 0.00 O ATOM 0 H SER A 35 6.387 0.307 -9.129 1.00 0.00 H new ATOM 0 HA SER A 35 6.684 1.010 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.918 -0.013 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.188 -1.500 -11.029 1.00 0.00 H new ATOM 0 HG SER A 35 6.886 -1.012 -13.255 1.00 0.00 H new ATOM 553 N ARG A 36 4.887 -1.263 -10.195 1.00 0.00 N ATOM 554 CA ARG A 36 3.402 -1.159 -10.032 1.00 0.00 C ATOM 555 C ARG A 36 2.943 0.348 -9.916 1.00 0.00 C ATOM 556 O ARG A 36 2.259 0.794 -10.836 1.00 0.00 O ATOM 557 CB ARG A 36 2.851 -2.100 -8.909 1.00 0.00 C ATOM 558 CG ARG A 36 3.078 -3.641 -9.086 1.00 0.00 C ATOM 559 CD ARG A 36 1.834 -4.564 -9.204 1.00 0.00 C ATOM 560 NE ARG A 36 1.149 -4.408 -10.522 1.00 0.00 N ATOM 561 CZ ARG A 36 0.056 -5.059 -10.933 1.00 0.00 C ATOM 562 NH1 ARG A 36 -0.590 -5.939 -10.218 1.00 0.00 N ATOM 563 NH2 ARG A 36 -0.418 -4.777 -12.105 1.00 0.00 N ATOM 0 H ARG A 36 5.370 -1.738 -9.433 1.00 0.00 H new ATOM 0 HA ARG A 36 2.936 -1.537 -10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.304 -1.799 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.779 -1.925 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.685 -3.786 -9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.670 -3.989 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.139 -5.602 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.134 -4.334 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 36 1.556 -3.737 -11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.267 -6.169 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.418 -6.397 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.041 -4.076 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.251 -5.256 -12.447 1.00 0.00 H new ATOM 577 N VAL A 37 3.369 1.162 -8.912 1.00 0.00 N ATOM 578 CA VAL A 37 2.989 2.624 -8.827 1.00 0.00 C ATOM 579 C VAL A 37 3.808 3.506 -9.850 1.00 0.00 C ATOM 580 O VAL A 37 4.830 4.121 -9.523 1.00 0.00 O ATOM 581 CB VAL A 37 3.037 3.188 -7.350 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.403 4.597 -7.224 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.392 2.290 -6.255 1.00 0.00 C ATOM 0 H VAL A 37 3.970 0.847 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 37 1.943 2.691 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 37 4.110 3.219 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.465 4.932 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.940 5.296 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.358 4.554 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.484 2.777 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.338 2.136 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.902 1.327 -6.227 1.00 0.00 H new ATOM 593 N ALA A 38 3.347 3.514 -11.110 1.00 0.00 N ATOM 594 CA ALA A 38 3.979 4.244 -12.237 1.00 0.00 C ATOM 595 C ALA A 38 3.155 5.514 -12.649 1.00 0.00 C ATOM 596 O ALA A 38 3.506 6.619 -12.226 1.00 0.00 O ATOM 597 CB ALA A 38 4.211 3.180 -13.339 1.00 0.00 C ATOM 0 H ALA A 38 2.508 3.005 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 38 4.941 4.687 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.677 3.649 -14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.864 2.396 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.255 2.745 -13.632 1.00 0.00 H new ATOM 603 N ASP A 39 2.082 5.356 -13.447 1.00 0.00 N ATOM 604 CA ASP A 39 1.216 6.483 -13.909 1.00 0.00 C ATOM 605 C ASP A 39 -0.330 6.128 -13.811 1.00 0.00 C ATOM 606 O ASP A 39 -1.096 6.363 -14.746 1.00 0.00 O ATOM 607 CB ASP A 39 1.757 6.878 -15.325 1.00 0.00 C ATOM 608 CG ASP A 39 1.470 8.295 -15.821 1.00 0.00 C ATOM 609 OD1 ASP A 39 1.377 9.231 -15.000 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.417 8.491 -17.055 1.00 0.00 O ATOM 0 H ASP A 39 1.782 4.446 -13.796 1.00 0.00 H new ATOM 0 HA ASP A 39 1.274 7.360 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.838 6.735 -15.324 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.343 6.178 -16.050 1.00 0.00 H new ATOM 615 N ASP A 40 -0.800 5.588 -12.657 1.00 0.00 N ATOM 616 CA ASP A 40 -2.219 5.121 -12.456 1.00 0.00 C ATOM 617 C ASP A 40 -2.705 5.315 -10.941 1.00 0.00 C ATOM 618 O ASP A 40 -1.889 5.699 -10.087 1.00 0.00 O ATOM 619 CB ASP A 40 -2.314 3.643 -12.975 1.00 0.00 C ATOM 620 CG ASP A 40 -3.494 3.236 -13.858 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.227 4.094 -14.393 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.714 2.014 -13.991 1.00 0.00 O ATOM 0 H ASP A 40 -0.214 5.459 -11.832 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.912 5.734 -13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.400 3.431 -13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.316 2.989 -12.103 1.00 0.00 H new ATOM 627 N PRO A 41 -4.002 5.120 -10.523 1.00 0.00 N ATOM 628 CA PRO A 41 -4.509 5.568 -9.194 1.00 0.00 C ATOM 629 C PRO A 41 -3.956 4.898 -7.896 1.00 0.00 C ATOM 630 O PRO A 41 -3.880 3.675 -7.747 1.00 0.00 O ATOM 631 CB PRO A 41 -6.036 5.381 -9.304 1.00 0.00 C ATOM 632 CG PRO A 41 -6.356 5.331 -10.797 1.00 0.00 C ATOM 633 CD PRO A 41 -5.098 4.761 -11.440 1.00 0.00 C ATOM 0 HA PRO A 41 -4.154 6.587 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.352 4.463 -8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.564 6.203 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.223 4.701 -10.996 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.586 6.323 -11.187 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.172 3.680 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.936 5.183 -12.432 1.00 0.00 H new ATOM 641 N VAL A 42 -3.643 5.739 -6.906 1.00 0.00 N ATOM 642 CA VAL A 42 -2.851 5.347 -5.704 1.00 0.00 C ATOM 643 C VAL A 42 -3.623 5.668 -4.374 1.00 0.00 C ATOM 644 O VAL A 42 -3.897 6.830 -4.058 1.00 0.00 O ATOM 645 CB VAL A 42 -1.410 5.965 -5.823 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.349 7.509 -5.913 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.466 5.510 -4.694 1.00 0.00 C ATOM 0 H VAL A 42 -3.926 6.719 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.718 4.266 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.073 5.570 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.310 7.828 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.899 7.844 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.795 7.944 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.513 5.970 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.878 5.813 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.364 4.425 -4.720 1.00 0.00 H new ATOM 657 N VAL A 43 -3.936 4.629 -3.587 1.00 0.00 N ATOM 658 CA VAL A 43 -4.692 4.729 -2.302 1.00 0.00 C ATOM 659 C VAL A 43 -3.712 4.917 -1.099 1.00 0.00 C ATOM 660 O VAL A 43 -2.849 4.070 -0.842 1.00 0.00 O ATOM 661 CB VAL A 43 -5.587 3.451 -2.116 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.414 3.454 -0.803 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.576 3.140 -3.269 1.00 0.00 C ATOM 0 H VAL A 43 -3.672 3.671 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.341 5.604 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.825 2.672 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.007 2.541 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.739 3.504 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.078 4.319 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.140 2.238 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.265 3.976 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.020 2.988 -4.194 1.00 0.00 H new ATOM 673 N LEU A 44 -3.870 6.003 -0.331 1.00 0.00 N ATOM 674 CA LEU A 44 -2.975 6.307 0.822 1.00 0.00 C ATOM 675 C LEU A 44 -3.658 7.127 1.970 1.00 0.00 C ATOM 676 O LEU A 44 -4.760 7.674 1.843 1.00 0.00 O ATOM 677 CB LEU A 44 -1.620 6.877 0.290 1.00 0.00 C ATOM 678 CG LEU A 44 -1.580 8.160 -0.585 1.00 0.00 C ATOM 679 CD1 LEU A 44 -2.135 9.401 0.131 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.129 8.411 -1.028 1.00 0.00 C ATOM 0 H LEU A 44 -4.606 6.694 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.745 5.376 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.989 7.063 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.144 6.083 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.227 7.991 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.078 10.262 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.174 9.226 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.547 9.597 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.087 9.310 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.502 8.543 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.228 7.558 -1.606 1.00 0.00 H new ATOM 692 N GLY A 45 -2.981 7.210 3.130 1.00 0.00 N ATOM 693 CA GLY A 45 -3.474 7.995 4.299 1.00 0.00 C ATOM 694 C GLY A 45 -3.261 9.520 4.242 1.00 0.00 C ATOM 695 O GLY A 45 -2.410 10.052 3.525 1.00 0.00 O ATOM 0 H GLY A 45 -2.088 6.745 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.541 7.804 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.984 7.615 5.196 1.00 0.00 H new ATOM 699 N ARG A 46 -4.066 10.256 5.015 1.00 0.00 N ATOM 700 CA ARG A 46 -3.979 11.748 5.035 1.00 0.00 C ATOM 701 C ARG A 46 -2.769 12.395 5.800 1.00 0.00 C ATOM 702 O ARG A 46 -2.417 13.529 5.468 1.00 0.00 O ATOM 703 CB ARG A 46 -5.379 12.306 5.404 1.00 0.00 C ATOM 704 CG ARG A 46 -5.607 13.810 5.088 1.00 0.00 C ATOM 705 CD ARG A 46 -5.262 14.803 6.218 1.00 0.00 C ATOM 706 NE ARG A 46 -6.206 14.661 7.365 1.00 0.00 N ATOM 707 CZ ARG A 46 -5.856 14.461 8.631 1.00 0.00 C ATOM 708 NH1 ARG A 46 -4.620 14.454 9.059 1.00 0.00 N ATOM 709 NH2 ARG A 46 -6.805 14.260 9.490 1.00 0.00 N ATOM 0 H ARG A 46 -4.779 9.866 5.631 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.710 12.069 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.133 11.724 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.544 12.148 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.014 14.070 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.654 13.949 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.241 14.630 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.301 15.823 5.835 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.203 14.723 7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.853 14.609 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.423 14.294 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.778 14.259 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.579 14.102 10.472 1.00 0.00 H new ATOM 723 N THR A 47 -2.111 11.721 6.756 1.00 0.00 N ATOM 724 CA THR A 47 -0.800 12.193 7.310 1.00 0.00 C ATOM 725 C THR A 47 0.431 11.935 6.355 1.00 0.00 C ATOM 726 O THR A 47 1.281 12.818 6.227 1.00 0.00 O ATOM 727 CB THR A 47 -0.610 11.666 8.767 1.00 0.00 C ATOM 728 OG1 THR A 47 -1.784 11.819 9.567 1.00 0.00 O ATOM 729 CG2 THR A 47 0.499 12.392 9.550 1.00 0.00 C ATOM 0 H THR A 47 -2.449 10.852 7.169 1.00 0.00 H new ATOM 0 HA THR A 47 -0.836 13.281 7.364 1.00 0.00 H new ATOM 0 HB THR A 47 -0.355 10.618 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.613 11.473 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.572 11.971 10.553 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.451 12.266 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.261 13.453 9.618 1.00 0.00 H new ATOM 737 N THR A 48 0.521 10.805 5.617 1.00 0.00 N ATOM 738 CA THR A 48 1.450 10.671 4.432 1.00 0.00 C ATOM 739 C THR A 48 1.221 11.677 3.239 1.00 0.00 C ATOM 740 O THR A 48 2.185 12.189 2.660 1.00 0.00 O ATOM 741 CB THR A 48 1.599 9.174 3.996 1.00 0.00 C ATOM 742 OG1 THR A 48 2.730 9.009 3.146 1.00 0.00 O ATOM 743 CG2 THR A 48 0.423 8.525 3.268 1.00 0.00 C ATOM 0 H THR A 48 -0.029 9.967 5.806 1.00 0.00 H new ATOM 0 HA THR A 48 2.420 11.006 4.798 1.00 0.00 H new ATOM 0 HB THR A 48 1.685 8.671 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.808 8.068 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.669 7.490 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.459 8.549 3.908 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.219 9.071 2.347 1.00 0.00 H new ATOM 751 N PHE A 49 -0.038 12.027 2.928 1.00 0.00 N ATOM 752 CA PHE A 49 -0.397 13.159 2.016 1.00 0.00 C ATOM 753 C PHE A 49 0.281 14.561 2.248 1.00 0.00 C ATOM 754 O PHE A 49 0.582 15.226 1.257 1.00 0.00 O ATOM 755 CB PHE A 49 -1.950 13.243 2.039 1.00 0.00 C ATOM 756 CG PHE A 49 -2.608 14.282 1.114 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.870 13.989 -0.225 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.953 15.543 1.620 1.00 0.00 C ATOM 759 CE1 PHE A 49 -3.451 14.946 -1.055 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.539 16.497 0.793 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.773 16.204 -0.550 1.00 0.00 C ATOM 0 H PHE A 49 -0.852 11.537 3.299 1.00 0.00 H new ATOM 0 HA PHE A 49 0.019 12.920 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.346 12.261 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.263 13.454 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.621 13.015 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.763 15.776 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.652 14.712 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.812 17.463 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.204 16.952 -1.199 1.00 0.00 H new ATOM 771 N GLU A 50 0.504 15.049 3.489 1.00 0.00 N ATOM 772 CA GLU A 50 1.313 16.292 3.726 1.00 0.00 C ATOM 773 C GLU A 50 2.841 16.262 3.304 1.00 0.00 C ATOM 774 O GLU A 50 3.407 17.336 3.066 1.00 0.00 O ATOM 775 CB GLU A 50 0.942 17.000 5.076 1.00 0.00 C ATOM 776 CG GLU A 50 0.836 16.196 6.407 1.00 0.00 C ATOM 777 CD GLU A 50 -0.004 16.830 7.519 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.482 17.768 8.185 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.159 16.388 7.739 1.00 0.00 O ATOM 0 H GLU A 50 0.145 14.616 4.340 1.00 0.00 H new ATOM 0 HA GLU A 50 0.981 16.989 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.680 17.786 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.019 17.492 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.419 15.214 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.844 16.034 6.790 1.00 0.00 H new ATOM 786 N SER A 51 3.467 15.082 3.070 1.00 0.00 N ATOM 787 CA SER A 51 4.656 14.949 2.161 1.00 0.00 C ATOM 788 C SER A 51 4.347 14.753 0.628 1.00 0.00 C ATOM 789 O SER A 51 5.120 15.247 -0.194 1.00 0.00 O ATOM 790 CB SER A 51 5.584 13.820 2.677 1.00 0.00 C ATOM 791 OG SER A 51 6.775 13.727 1.886 1.00 0.00 O ATOM 0 H SER A 51 3.175 14.202 3.494 1.00 0.00 H new ATOM 0 HA SER A 51 5.150 15.920 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.849 14.010 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.052 12.869 2.652 1.00 0.00 H new ATOM 0 HG SER A 51 7.343 13.008 2.234 1.00 0.00 H new ATOM 797 N MET A 52 3.262 14.066 0.212 1.00 0.00 N ATOM 798 CA MET A 52 2.802 14.005 -1.225 1.00 0.00 C ATOM 799 C MET A 52 2.053 15.289 -1.786 1.00 0.00 C ATOM 800 O MET A 52 1.174 15.221 -2.650 1.00 0.00 O ATOM 801 CB MET A 52 1.923 12.732 -1.418 1.00 0.00 C ATOM 802 CG MET A 52 2.464 11.377 -0.915 1.00 0.00 C ATOM 803 SD MET A 52 4.127 11.089 -1.540 1.00 0.00 S ATOM 804 CE MET A 52 4.567 9.719 -0.463 1.00 0.00 C ATOM 0 H MET A 52 2.669 13.533 0.848 1.00 0.00 H new ATOM 0 HA MET A 52 3.715 13.965 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.968 12.911 -0.924 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.716 12.631 -2.483 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.472 11.364 0.175 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.803 10.573 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.579 9.386 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.518 10.043 0.577 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.870 8.895 -0.619 1.00 0.00 H new ATOM 814 N ARG A 53 2.429 16.478 -1.296 1.00 0.00 N ATOM 815 CA ARG A 53 1.928 17.799 -1.784 1.00 0.00 C ATOM 816 C ARG A 53 2.817 18.554 -2.833 1.00 0.00 C ATOM 817 O ARG A 53 2.289 19.452 -3.493 1.00 0.00 O ATOM 818 CB ARG A 53 1.633 18.639 -0.505 1.00 0.00 C ATOM 819 CG ARG A 53 0.247 18.359 0.139 1.00 0.00 C ATOM 820 CD ARG A 53 -0.958 19.098 -0.497 1.00 0.00 C ATOM 821 NE ARG A 53 -0.839 20.589 -0.474 1.00 0.00 N ATOM 822 CZ ARG A 53 -0.735 21.345 0.612 1.00 0.00 C ATOM 823 NH1 ARG A 53 -1.001 20.910 1.808 1.00 0.00 N ATOM 824 NH2 ARG A 53 -0.328 22.566 0.473 1.00 0.00 N ATOM 0 H ARG A 53 3.102 16.566 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 53 1.034 17.628 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.410 18.440 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.696 19.698 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.056 17.287 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.297 18.628 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.069 18.769 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.868 18.808 0.029 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.838 21.068 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.306 19.946 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.905 21.533 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.097 22.924 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.239 23.170 1.290 1.00 0.00 H new ATOM 838 N ASP A 54 4.105 18.208 -2.989 1.00 0.00 N ATOM 839 CA ASP A 54 5.011 18.748 -4.046 1.00 0.00 C ATOM 840 C ASP A 54 5.032 17.908 -5.389 1.00 0.00 C ATOM 841 O ASP A 54 4.921 18.488 -6.474 1.00 0.00 O ATOM 842 CB ASP A 54 6.414 18.890 -3.384 1.00 0.00 C ATOM 843 CG ASP A 54 6.569 20.081 -2.430 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.270 19.938 -1.224 1.00 0.00 O ATOM 845 OD2 ASP A 54 6.986 21.168 -2.887 1.00 0.00 O ATOM 0 H ASP A 54 4.566 17.533 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 54 4.641 19.714 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.633 17.974 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.163 18.976 -4.172 1.00 0.00 H new ATOM 850 N ASP A 55 5.163 16.568 -5.317 1.00 0.00 N ATOM 851 CA ASP A 55 5.024 15.629 -6.476 1.00 0.00 C ATOM 852 C ASP A 55 4.078 14.431 -6.077 1.00 0.00 C ATOM 853 O ASP A 55 4.022 13.987 -4.920 1.00 0.00 O ATOM 854 CB ASP A 55 6.452 15.251 -6.986 1.00 0.00 C ATOM 855 CG ASP A 55 6.584 14.118 -8.018 1.00 0.00 C ATOM 856 OD1 ASP A 55 5.906 14.190 -9.063 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.374 13.164 -7.802 1.00 0.00 O ATOM 0 H ASP A 55 5.372 16.088 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 55 4.527 16.086 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.898 16.147 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.054 14.981 -6.118 1.00 0.00 H new ATOM 862 N LEU A 56 3.314 13.914 -7.054 1.00 0.00 N ATOM 863 CA LEU A 56 2.379 12.775 -6.825 1.00 0.00 C ATOM 864 C LEU A 56 3.058 11.396 -7.167 1.00 0.00 C ATOM 865 O LEU A 56 3.642 11.276 -8.250 1.00 0.00 O ATOM 866 CB LEU A 56 1.055 12.934 -7.640 1.00 0.00 C ATOM 867 CG LEU A 56 0.044 14.081 -7.335 1.00 0.00 C ATOM 868 CD1 LEU A 56 -0.082 14.455 -5.845 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.322 15.338 -8.177 1.00 0.00 C ATOM 0 H LEU A 56 3.318 14.260 -8.014 1.00 0.00 H new ATOM 0 HA LEU A 56 2.128 12.787 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.338 13.031 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.509 11.996 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.920 13.663 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.807 15.261 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.415 13.585 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.887 14.784 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.407 16.110 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.326 15.705 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.245 15.091 -9.236 1.00 0.00 H new ATOM 881 N PRO A 57 2.942 10.291 -6.363 1.00 0.00 N ATOM 882 CA PRO A 57 3.388 8.933 -6.813 1.00 0.00 C ATOM 883 C PRO A 57 2.904 8.363 -8.198 1.00 0.00 C ATOM 884 O PRO A 57 3.685 7.686 -8.872 1.00 0.00 O ATOM 885 CB PRO A 57 2.986 8.061 -5.608 1.00 0.00 C ATOM 886 CG PRO A 57 3.006 9.002 -4.396 1.00 0.00 C ATOM 887 CD PRO A 57 2.532 10.349 -4.945 1.00 0.00 C ATOM 0 HA PRO A 57 4.449 8.960 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.997 7.626 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.682 7.233 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.348 8.643 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.006 9.078 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.454 10.471 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.999 11.185 -4.423 1.00 0.00 H new ATOM 895 N GLY A 58 1.654 8.649 -8.588 1.00 0.00 N ATOM 896 CA GLY A 58 1.111 8.356 -9.950 1.00 0.00 C ATOM 897 C GLY A 58 -0.134 9.210 -10.341 1.00 0.00 C ATOM 898 O GLY A 58 -0.391 10.273 -9.760 1.00 0.00 O ATOM 0 H GLY A 58 0.974 9.094 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.898 8.523 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.844 7.300 -10.003 1.00 0.00 H new ATOM 902 N SER A 59 -0.908 8.762 -11.339 1.00 0.00 N ATOM 903 CA SER A 59 -1.942 9.618 -12.009 1.00 0.00 C ATOM 904 C SER A 59 -3.389 9.706 -11.388 1.00 0.00 C ATOM 905 O SER A 59 -4.264 10.321 -11.999 1.00 0.00 O ATOM 906 CB SER A 59 -1.944 9.237 -13.511 1.00 0.00 C ATOM 907 OG SER A 59 -2.520 10.266 -14.318 1.00 0.00 O ATOM 0 H SER A 59 -0.851 7.814 -11.712 1.00 0.00 H new ATOM 0 HA SER A 59 -1.631 10.648 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.922 9.047 -13.839 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.501 8.311 -13.650 1.00 0.00 H new ATOM 0 HG SER A 59 -3.283 10.662 -13.848 1.00 0.00 H new ATOM 913 N ALA A 60 -3.669 9.223 -10.155 1.00 0.00 N ATOM 914 CA ALA A 60 -4.804 9.750 -9.341 1.00 0.00 C ATOM 915 C ALA A 60 -4.590 9.598 -7.805 1.00 0.00 C ATOM 916 O ALA A 60 -4.581 8.486 -7.269 1.00 0.00 O ATOM 917 CB ALA A 60 -6.151 9.171 -9.813 1.00 0.00 C ATOM 0 H ALA A 60 -3.137 8.480 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.834 10.826 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.956 9.575 -9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.318 9.442 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.133 8.085 -9.719 1.00 0.00 H new ATOM 923 N GLN A 61 -4.441 10.724 -7.079 1.00 0.00 N ATOM 924 CA GLN A 61 -4.130 10.714 -5.621 1.00 0.00 C ATOM 925 C GLN A 61 -5.403 10.454 -4.746 1.00 0.00 C ATOM 926 O GLN A 61 -6.126 11.378 -4.351 1.00 0.00 O ATOM 927 CB GLN A 61 -3.391 12.052 -5.318 1.00 0.00 C ATOM 928 CG GLN A 61 -2.882 12.304 -3.864 1.00 0.00 C ATOM 929 CD GLN A 61 -1.692 11.532 -3.282 1.00 0.00 C ATOM 930 OE1 GLN A 61 -1.014 12.012 -2.388 1.00 0.00 O ATOM 931 NE2 GLN A 61 -1.421 10.320 -3.675 1.00 0.00 N ATOM 0 H GLN A 61 -4.530 11.660 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.479 9.882 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.532 12.116 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.062 12.869 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.635 13.363 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.728 12.129 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.970 9.891 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.660 9.800 -3.238 1.00 0.00 H new ATOM 940 N ILE A 62 -5.669 9.173 -4.459 1.00 0.00 N ATOM 941 CA ILE A 62 -6.777 8.726 -3.575 1.00 0.00 C ATOM 942 C ILE A 62 -6.289 8.834 -2.082 1.00 0.00 C ATOM 943 O ILE A 62 -5.270 8.258 -1.689 1.00 0.00 O ATOM 944 CB ILE A 62 -7.332 7.307 -3.979 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.731 7.159 -5.483 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.547 6.917 -3.093 1.00 0.00 C ATOM 947 CD1 ILE A 62 -7.995 5.711 -5.952 1.00 0.00 C ATOM 0 H ILE A 62 -5.119 8.400 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.642 9.379 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.494 6.629 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.627 7.752 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.937 7.584 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.913 5.934 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.241 6.889 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.341 7.653 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.265 5.714 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.095 5.112 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.812 5.283 -5.370 1.00 0.00 H new ATOM 959 N VAL A 63 -7.016 9.602 -1.255 1.00 0.00 N ATOM 960 CA VAL A 63 -6.560 10.017 0.107 1.00 0.00 C ATOM 961 C VAL A 63 -7.687 9.768 1.169 1.00 0.00 C ATOM 962 O VAL A 63 -8.699 10.478 1.211 1.00 0.00 O ATOM 963 CB VAL A 63 -5.974 11.478 0.079 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.868 12.587 -0.532 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.505 11.949 1.475 1.00 0.00 C ATOM 0 H VAL A 63 -7.939 9.960 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.729 9.389 0.428 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.134 11.358 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.344 13.542 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.092 12.343 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.798 12.657 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.109 12.962 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.348 11.937 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.726 11.280 1.842 1.00 0.00 H new ATOM 975 N MET A 64 -7.519 8.787 2.069 1.00 0.00 N ATOM 976 CA MET A 64 -8.564 8.430 3.073 1.00 0.00 C ATOM 977 C MET A 64 -8.581 9.407 4.301 1.00 0.00 C ATOM 978 O MET A 64 -7.549 9.661 4.933 1.00 0.00 O ATOM 979 CB MET A 64 -8.398 6.946 3.481 1.00 0.00 C ATOM 980 CG MET A 64 -8.679 5.921 2.358 1.00 0.00 C ATOM 981 SD MET A 64 -9.166 4.337 3.073 1.00 0.00 S ATOM 982 CE MET A 64 -10.956 4.530 3.081 1.00 0.00 C ATOM 0 H MET A 64 -6.673 8.220 2.132 1.00 0.00 H new ATOM 0 HA MET A 64 -9.545 8.549 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.380 6.796 3.842 1.00 0.00 H new ATOM 0 HB3 MET A 64 -9.066 6.738 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.469 6.292 1.705 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.790 5.792 1.741 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.417 3.633 3.495 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.226 5.392 3.691 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.310 4.682 2.061 1.00 0.00 H new ATOM 992 N SER A 65 -9.748 10.008 4.617 1.00 0.00 N ATOM 993 CA SER A 65 -9.837 11.120 5.607 1.00 0.00 C ATOM 994 C SER A 65 -11.241 11.185 6.284 1.00 0.00 C ATOM 995 O SER A 65 -12.168 11.800 5.751 1.00 0.00 O ATOM 996 CB SER A 65 -9.449 12.453 4.908 1.00 0.00 C ATOM 997 OG SER A 65 -9.534 13.567 5.802 1.00 0.00 O ATOM 0 H SER A 65 -10.644 9.747 4.205 1.00 0.00 H new ATOM 0 HA SER A 65 -9.132 10.937 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.434 12.377 4.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.106 12.621 4.055 1.00 0.00 H new ATOM 0 HG SER A 65 -9.282 14.387 5.328 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.901 18.317 -1.501 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.504 18.792 -1.733 1.00 0.00 C ATOM 1090 C PHE A 71 -8.383 19.404 -3.161 1.00 0.00 C ATOM 1091 O PHE A 71 -8.707 18.755 -4.160 1.00 0.00 O ATOM 1092 CB PHE A 71 -7.488 17.642 -1.464 1.00 0.00 C ATOM 1093 CG PHE A 71 -7.435 17.115 -0.010 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.892 17.911 1.006 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.934 15.849 0.316 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -6.824 17.440 2.313 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.864 15.374 1.624 1.00 0.00 C ATOM 1098 CZ PHE A 71 -7.304 16.170 2.621 1.00 0.00 C ATOM 0 HA PHE A 71 -8.258 19.586 -1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.729 16.808 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.493 17.990 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.523 18.899 0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.378 15.234 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.399 18.059 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.243 14.392 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.242 15.801 3.634 1.00 0.00 H new ATOM 1108 N SER A 72 -7.912 20.659 -3.258 1.00 0.00 N ATOM 1109 CA SER A 72 -7.637 21.321 -4.567 1.00 0.00 C ATOM 1110 C SER A 72 -6.251 20.897 -5.161 1.00 0.00 C ATOM 1111 O SER A 72 -5.231 21.565 -4.951 1.00 0.00 O ATOM 1112 CB SER A 72 -7.790 22.855 -4.380 1.00 0.00 C ATOM 1113 OG SER A 72 -6.796 23.393 -3.505 1.00 0.00 O ATOM 0 H SER A 72 -7.710 21.246 -2.449 1.00 0.00 H new ATOM 0 HA SER A 72 -8.362 20.992 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.722 23.346 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.780 23.074 -3.981 1.00 0.00 H new ATOM 0 HG SER A 72 -5.921 23.012 -3.730 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.235 19.760 -5.865 1.00 0.00 N ATOM 1120 CA VAL A 73 -5.071 19.300 -6.690 1.00 0.00 C ATOM 1121 C VAL A 73 -5.623 18.924 -8.126 1.00 0.00 C ATOM 1122 O VAL A 73 -6.822 19.050 -8.422 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.232 18.180 -5.937 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.792 18.020 -6.488 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -4.044 18.327 -4.401 1.00 0.00 C ATOM 0 H VAL A 73 -7.026 19.116 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.331 20.087 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.875 17.322 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.274 17.240 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.834 17.746 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.254 18.962 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.452 17.492 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.529 19.263 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.019 18.329 -3.914 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.761 18.471 -9.042 1.00 0.00 N ATOM 1136 CA ASP A 74 -5.122 18.234 -10.475 1.00 0.00 C ATOM 1137 C ASP A 74 -6.156 17.070 -10.697 1.00 0.00 C ATOM 1138 O ASP A 74 -7.259 17.303 -11.208 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.785 18.071 -11.253 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.945 19.349 -11.332 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -2.234 19.649 -10.348 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -3.037 20.076 -12.343 1.00 0.00 O ATOM 0 H ASP A 74 -3.788 18.253 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.673 19.088 -10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.193 17.290 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.006 17.731 -12.265 1.00 0.00 H new ATOM 1147 N THR A 75 -5.845 15.837 -10.262 1.00 0.00 N ATOM 1148 CA THR A 75 -6.842 14.715 -10.186 1.00 0.00 C ATOM 1149 C THR A 75 -6.777 13.909 -8.831 1.00 0.00 C ATOM 1150 O THR A 75 -6.642 12.682 -8.782 1.00 0.00 O ATOM 1151 CB THR A 75 -6.826 13.898 -11.515 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.871 12.938 -11.538 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.550 13.102 -11.804 1.00 0.00 C ATOM 0 H THR A 75 -4.909 15.575 -9.952 1.00 0.00 H new ATOM 0 HA THR A 75 -7.851 15.122 -10.124 1.00 0.00 H new ATOM 0 HB THR A 75 -6.927 14.680 -12.267 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.840 12.441 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.656 12.576 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.701 13.783 -11.860 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.383 12.379 -11.005 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.956 14.614 -7.699 1.00 0.00 N ATOM 1162 CA ALA A 76 -7.042 14.002 -6.346 1.00 0.00 C ATOM 1163 C ALA A 76 -8.510 13.743 -5.865 1.00 0.00 C ATOM 1164 O ALA A 76 -9.432 14.525 -6.131 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.302 14.978 -5.413 1.00 0.00 C ATOM 0 H ALA A 76 -7.046 15.630 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.592 13.009 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.323 14.593 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.268 15.081 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.791 15.952 -5.444 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.746 12.627 -5.156 1.00 0.00 N ATOM 1172 CA HIS A 77 -10.093 12.273 -4.609 1.00 0.00 C ATOM 1173 C HIS A 77 -9.969 11.764 -3.128 1.00 0.00 C ATOM 1174 O HIS A 77 -9.016 11.051 -2.813 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.740 11.170 -5.497 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.219 11.532 -6.912 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.518 11.283 -7.337 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.409 11.813 -8.036 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.383 11.393 -8.698 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.161 11.736 -9.204 1.00 0.00 N ATOM 0 H HIS A 77 -8.023 11.941 -4.940 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.723 13.163 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.017 10.360 -5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.596 10.771 -4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.357 12.053 -7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.222 11.213 -9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.878 11.892 -10.171 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.918 12.081 -2.219 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.911 11.522 -0.821 1.00 0.00 C ATOM 1191 C ARG A 78 -11.928 10.357 -0.586 1.00 0.00 C ATOM 1192 O ARG A 78 -12.898 10.218 -1.336 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.949 12.713 0.206 1.00 0.00 C ATOM 1194 CG ARG A 78 -12.072 12.853 1.286 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.561 12.744 0.888 1.00 0.00 C ATOM 1196 NE ARG A 78 -13.926 13.557 -0.299 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.088 13.467 -0.937 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -15.994 12.560 -0.681 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -15.339 14.336 -1.862 1.00 0.00 N ATOM 0 H ARG A 78 -11.696 12.712 -2.411 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.974 10.993 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.000 12.693 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.964 13.631 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.885 12.093 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.937 13.822 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.798 11.699 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.177 13.054 1.732 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.241 14.228 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.828 11.865 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.866 12.547 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.655 15.060 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.221 14.297 -2.372 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.726 9.557 0.482 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.685 8.480 0.870 1.00 0.00 C ATOM 1215 C ALA A 79 -12.797 8.207 2.403 1.00 0.00 C ATOM 1216 O ALA A 79 -11.866 8.459 3.180 1.00 0.00 O ATOM 1217 CB ALA A 79 -12.257 7.226 0.085 1.00 0.00 C ATOM 0 H ALA A 79 -10.913 9.629 1.094 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.696 8.799 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.925 6.399 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.308 7.431 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.235 6.959 0.355 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.941 7.666 2.842 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.146 7.210 4.247 1.00 0.00 C ATOM 1225 C ALA A 80 -14.287 5.666 4.458 1.00 0.00 C ATOM 1226 O ALA A 80 -13.729 5.138 5.424 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.345 7.997 4.810 1.00 0.00 C ATOM 0 H ALA A 80 -14.756 7.527 2.245 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.231 7.423 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.529 7.692 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.125 9.064 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.230 7.792 4.207 1.00 0.00 H new ATOM 1233 N SER A 81 -15.041 4.962 3.604 1.00 0.00 N ATOM 1234 CA SER A 81 -15.202 3.488 3.675 1.00 0.00 C ATOM 1235 C SER A 81 -14.370 2.690 2.601 1.00 0.00 C ATOM 1236 O SER A 81 -13.730 3.258 1.710 1.00 0.00 O ATOM 1237 CB SER A 81 -16.729 3.290 3.600 1.00 0.00 C ATOM 1238 OG SER A 81 -17.026 1.926 3.871 1.00 0.00 O ATOM 0 H SER A 81 -15.562 5.392 2.839 1.00 0.00 H new ATOM 0 HA SER A 81 -14.786 3.067 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.230 3.936 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.098 3.568 2.613 1.00 0.00 H new ATOM 0 HG SER A 81 -17.978 1.835 4.085 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.404 1.347 2.678 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.896 0.441 1.585 1.00 0.00 C ATOM 1246 C VAL A 82 -14.708 0.663 0.246 1.00 0.00 C ATOM 1247 O VAL A 82 -14.106 0.980 -0.783 1.00 0.00 O ATOM 1248 CB VAL A 82 -13.859 -1.043 2.125 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -13.558 -2.139 1.066 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -12.886 -1.299 3.311 1.00 0.00 C ATOM 0 H VAL A 82 -14.777 0.845 3.484 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.870 0.687 1.312 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.891 -1.133 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.557 -3.118 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.324 -2.116 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.582 -1.953 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.938 -2.347 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.868 -1.058 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.169 -0.671 4.156 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.056 0.592 0.288 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.967 1.052 -0.800 1.00 0.00 C ATOM 1262 C GLU A 83 -16.740 2.449 -1.500 1.00 0.00 C ATOM 1263 O GLU A 83 -16.833 2.508 -2.729 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.431 0.837 -0.311 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.992 1.720 0.846 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.245 1.059 2.200 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -19.422 -0.166 2.301 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.306 1.799 3.197 1.00 0.00 O ATOM 0 H GLU A 83 -16.557 0.208 1.089 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.704 0.428 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.086 0.972 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.522 -0.204 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.297 2.545 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -19.932 2.155 0.507 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.394 3.547 -0.783 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.978 4.841 -1.425 1.00 0.00 C ATOM 1277 C GLU A 84 -14.734 4.710 -2.394 1.00 0.00 C ATOM 1278 O GLU A 84 -14.838 5.060 -3.564 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.778 5.988 -0.375 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.928 7.021 -0.169 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.558 8.228 0.698 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -16.710 8.142 1.933 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.095 9.263 0.166 1.00 0.00 O ATOM 0 H GLU A 84 -16.391 3.573 0.237 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.817 5.120 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.575 5.522 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.882 6.542 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.255 7.379 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.778 6.512 0.285 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.571 4.196 -1.926 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.399 3.919 -2.815 1.00 0.00 C ATOM 1292 C ALA A 85 -12.514 2.751 -3.873 1.00 0.00 C ATOM 1293 O ALA A 85 -11.798 2.794 -4.884 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.152 3.852 -1.911 1.00 0.00 C ATOM 0 H ALA A 85 -13.412 3.964 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.334 4.746 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.271 3.651 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.026 4.803 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.276 3.054 -1.179 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.426 1.774 -3.721 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.838 0.845 -4.822 1.00 0.00 C ATOM 1302 C VAL A 86 -14.675 1.537 -5.962 1.00 0.00 C ATOM 1303 O VAL A 86 -14.344 1.329 -7.135 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.468 -0.477 -4.245 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -14.913 -1.494 -5.325 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.490 -1.250 -3.324 1.00 0.00 C ATOM 0 H VAL A 86 -13.905 1.595 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.930 0.541 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.336 -0.109 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.336 -2.375 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.665 -1.036 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.052 -1.787 -5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.976 -2.153 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.598 -1.523 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.208 -0.619 -2.482 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.716 2.348 -5.665 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.508 3.102 -6.690 1.00 0.00 C ATOM 1318 C ASP A 87 -15.652 4.005 -7.662 1.00 0.00 C ATOM 1319 O ASP A 87 -15.627 3.778 -8.876 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.628 3.844 -5.902 1.00 0.00 C ATOM 1321 CG ASP A 87 -18.720 4.467 -6.769 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.561 3.718 -7.308 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -18.750 5.708 -6.910 1.00 0.00 O ATOM 0 H ASP A 87 -16.039 2.505 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.950 2.416 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -18.091 3.141 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.170 4.629 -5.301 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.838 4.937 -7.132 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.795 5.680 -7.905 1.00 0.00 C ATOM 1330 C ILE A 88 -12.656 4.845 -8.607 1.00 0.00 C ATOM 1331 O ILE A 88 -12.237 5.252 -9.683 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.197 6.892 -7.088 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.827 6.550 -5.620 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.147 8.115 -7.150 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.787 7.446 -4.925 1.00 0.00 C ATOM 0 H ILE A 88 -14.877 5.206 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.374 6.051 -8.750 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.254 7.141 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.742 6.574 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.458 5.525 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.717 8.939 -6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.279 8.421 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.114 7.846 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.625 7.093 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.847 7.408 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.151 8.473 -4.899 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.178 3.696 -8.078 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.366 2.734 -8.886 1.00 0.00 C ATOM 1349 C ALA A 89 -12.061 2.049 -10.132 1.00 0.00 C ATOM 1350 O ALA A 89 -11.433 1.922 -11.182 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.772 1.713 -7.897 1.00 0.00 C ATOM 0 H ALA A 89 -12.332 3.408 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.598 3.317 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.169 0.987 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.147 2.232 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.580 1.197 -7.378 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.351 1.669 -10.038 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.201 1.363 -11.225 1.00 0.00 C ATOM 1359 C ALA A 90 -14.537 2.573 -12.188 1.00 0.00 C ATOM 1360 O ALA A 90 -14.544 2.401 -13.410 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.451 0.633 -10.696 1.00 0.00 C ATOM 0 H ALA A 90 -13.838 1.564 -9.148 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.624 0.732 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.108 0.386 -11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.150 -0.283 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.980 1.279 -9.996 1.00 0.00 H new ATOM 1367 N SER A 91 -14.804 3.787 -11.672 1.00 0.00 N ATOM 1368 CA SER A 91 -15.008 5.022 -12.500 1.00 0.00 C ATOM 1369 C SER A 91 -13.747 5.664 -13.174 1.00 0.00 C ATOM 1370 O SER A 91 -13.880 6.299 -14.228 1.00 0.00 O ATOM 1371 CB SER A 91 -15.818 6.027 -11.642 1.00 0.00 C ATOM 1372 OG SER A 91 -16.289 7.142 -12.408 1.00 0.00 O ATOM 0 H SER A 91 -14.887 3.955 -10.669 1.00 0.00 H new ATOM 0 HA SER A 91 -15.558 4.713 -13.389 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.668 5.514 -11.192 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.194 6.389 -10.825 1.00 0.00 H new ATOM 0 HG SER A 91 -16.795 7.748 -11.827 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.531 5.490 -12.620 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.237 5.752 -13.334 1.00 0.00 C ATOM 1380 C LEU A 92 -10.718 4.641 -14.347 1.00 0.00 C ATOM 1381 O LEU A 92 -9.756 4.917 -15.065 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.190 6.119 -12.242 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.353 7.508 -11.537 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.641 7.537 -10.162 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.758 8.631 -12.398 1.00 0.00 C ATOM 0 H LEU A 92 -12.404 5.163 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.413 6.573 -14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.216 5.345 -11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.200 6.084 -12.697 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.423 7.662 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.776 8.516 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.068 6.771 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.577 7.344 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.883 9.586 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.697 8.442 -12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.271 8.663 -13.359 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.338 3.437 -14.410 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.979 2.327 -15.344 1.00 0.00 C ATOM 1399 C ASP A 93 -9.685 1.567 -14.907 1.00 0.00 C ATOM 1400 O ASP A 93 -9.776 0.608 -14.131 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.162 2.728 -16.840 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.593 1.602 -17.780 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.554 0.872 -17.459 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.006 1.466 -18.871 1.00 0.00 O ATOM 0 H ASP A 93 -12.121 3.199 -13.801 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.713 1.526 -15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.902 3.526 -16.895 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.221 3.140 -17.204 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.490 2.048 -15.322 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.160 1.635 -14.768 1.00 0.00 C ATOM 1411 C ALA A 94 -6.769 0.104 -14.858 1.00 0.00 C ATOM 1412 O ALA A 94 -7.630 -0.791 -14.882 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.045 2.263 -13.353 1.00 0.00 C ATOM 0 H ALA A 94 -8.411 2.745 -16.062 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.388 2.027 -15.430 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.088 1.988 -12.909 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.110 3.348 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.856 1.895 -12.724 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.459 -0.242 -14.861 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.031 -1.659 -14.607 1.00 0.00 C ATOM 1421 C GLU A 95 -5.374 -2.098 -13.130 1.00 0.00 C ATOM 1422 O GLU A 95 -6.301 -2.898 -12.908 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.547 -1.921 -15.011 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.184 -1.917 -16.529 1.00 0.00 C ATOM 1425 CD GLU A 95 -1.970 -2.740 -16.976 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -1.177 -3.231 -16.140 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -1.811 -2.903 -18.204 1.00 0.00 O ATOM 0 H GLU A 95 -4.693 0.410 -15.030 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.613 -2.304 -15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.930 -1.169 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.256 -2.889 -14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.053 -2.274 -17.082 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.017 -0.883 -16.831 1.00 0.00 H new ATOM 1434 N THR A 96 -4.703 -1.491 -12.139 1.00 0.00 N ATOM 1435 CA THR A 96 -4.925 -1.764 -10.694 1.00 0.00 C ATOM 1436 C THR A 96 -4.784 -0.489 -9.799 1.00 0.00 C ATOM 1437 O THR A 96 -3.815 0.268 -9.912 1.00 0.00 O ATOM 1438 CB THR A 96 -4.030 -2.944 -10.208 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.311 -3.246 -8.843 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.514 -2.772 -10.260 1.00 0.00 C ATOM 0 H THR A 96 -3.983 -0.789 -12.310 1.00 0.00 H new ATOM 0 HA THR A 96 -5.964 -2.073 -10.582 1.00 0.00 H new ATOM 0 HB THR A 96 -4.291 -3.719 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.219 -2.951 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.032 -3.677 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.203 -2.591 -11.289 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.222 -1.925 -9.639 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.723 -0.307 -8.850 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.493 0.606 -7.699 1.00 0.00 C ATOM 1450 C ALA A 97 -4.676 -0.082 -6.556 1.00 0.00 C ATOM 1451 O ALA A 97 -4.802 -1.288 -6.303 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.869 1.089 -7.211 1.00 0.00 C ATOM 0 H ALA A 97 -6.633 -0.768 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.887 1.456 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.739 1.763 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.377 1.615 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.467 0.232 -6.903 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.837 0.688 -5.855 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.803 0.106 -4.943 1.00 0.00 C ATOM 1460 C TYR A 98 -2.762 0.822 -3.563 1.00 0.00 C ATOM 1461 O TYR A 98 -2.616 2.047 -3.488 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.374 -0.005 -5.579 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.051 0.595 -6.948 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.082 1.988 -7.139 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -0.767 -0.229 -8.043 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.861 2.527 -8.399 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.545 0.313 -9.302 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.600 1.698 -9.482 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.382 2.232 -10.714 1.00 0.00 O ATOM 0 H TYR A 98 -3.840 1.707 -5.889 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.128 -0.921 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.677 0.439 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.136 -1.067 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.279 2.641 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.720 -1.299 -7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.892 3.598 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.330 -0.334 -10.140 1.00 0.00 H new ATOM 0 HH TYR A 98 0.476 1.911 -11.063 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.810 0.043 -2.473 1.00 0.00 N ATOM 1480 CA VAL A 99 -2.740 0.584 -1.083 1.00 0.00 C ATOM 1481 C VAL A 99 -1.253 0.681 -0.619 1.00 0.00 C ATOM 1482 O VAL A 99 -0.650 -0.307 -0.203 1.00 0.00 O ATOM 1483 CB VAL A 99 -3.686 -0.222 -0.123 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -3.582 0.160 1.372 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.166 -0.035 -0.520 1.00 0.00 C ATOM 0 H VAL A 99 -2.898 -0.972 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.121 1.605 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.348 -1.252 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.273 -0.451 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.564 -0.012 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.835 1.213 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.800 -0.604 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.428 1.022 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.317 -0.391 -1.539 1.00 0.00 H new ATOM 1495 N ILE A 100 -0.697 1.905 -0.625 1.00 0.00 N ATOM 1496 CA ILE A 100 0.557 2.266 0.136 1.00 0.00 C ATOM 1497 C ILE A 100 0.557 1.828 1.652 1.00 0.00 C ATOM 1498 O ILE A 100 1.489 1.178 2.129 1.00 0.00 O ATOM 1499 CB ILE A 100 0.854 3.812 -0.120 1.00 0.00 C ATOM 1500 CG1 ILE A 100 1.774 4.167 -1.327 1.00 0.00 C ATOM 1501 CG2 ILE A 100 1.432 4.650 1.062 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.520 3.429 -2.646 1.00 0.00 C ATOM 0 H ILE A 100 -1.089 2.686 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 100 1.391 1.679 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.183 4.086 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.684 5.237 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.806 3.982 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.582 5.680 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.733 4.630 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.386 4.226 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.230 3.773 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.644 2.357 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.505 3.632 -2.987 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.460 2.274 2.404 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.374 2.387 3.880 1.00 0.00 C ATOM 1516 C GLY A 101 -0.743 3.782 4.471 1.00 0.00 C ATOM 1517 O GLY A 101 -1.336 4.639 3.807 1.00 0.00 O ATOM 0 H GLY A 101 -1.358 2.565 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.032 1.639 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.642 2.139 4.187 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.433 4.120 5.727 1.00 0.00 N ATOM 1522 CA GLY A 102 0.126 3.180 6.753 1.00 0.00 C ATOM 1523 C GLY A 102 -0.909 2.353 7.538 1.00 0.00 C ATOM 1524 O GLY A 102 -1.948 1.970 7.002 1.00 0.00 O ATOM 0 H GLY A 102 -0.559 5.067 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.810 2.493 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.717 3.758 7.464 1.00 0.00 H new ATOM 1528 N ALA A 103 -0.599 2.037 8.799 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.358 1.028 9.577 1.00 0.00 C ATOM 1530 C ALA A 103 -2.809 1.355 10.069 1.00 0.00 C ATOM 1531 O ALA A 103 -3.528 0.413 10.412 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.403 0.604 10.698 1.00 0.00 C ATOM 0 H ALA A 103 0.173 2.462 9.312 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.632 0.224 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.887 -0.145 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.504 0.182 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.145 1.472 11.304 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.296 2.615 10.041 1.00 0.00 N ATOM 1539 CA ALA A 104 -4.764 2.891 10.005 1.00 0.00 C ATOM 1540 C ALA A 104 -5.498 2.504 8.672 1.00 0.00 C ATOM 1541 O ALA A 104 -6.562 1.876 8.713 1.00 0.00 O ATOM 1542 CB ALA A 104 -4.999 4.365 10.392 1.00 0.00 C ATOM 0 H ALA A 104 -2.711 3.451 10.042 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.225 2.224 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.067 4.581 10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.613 4.544 11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.483 5.014 9.684 1.00 0.00 H new ATOM 1548 N ILE A 105 -4.936 2.855 7.506 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.495 2.493 6.160 1.00 0.00 C ATOM 1550 C ILE A 105 -5.355 0.959 5.814 1.00 0.00 C ATOM 1551 O ILE A 105 -6.334 0.305 5.454 1.00 0.00 O ATOM 1552 CB ILE A 105 -4.947 3.472 5.056 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -4.988 4.995 5.401 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.638 3.262 3.682 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.277 5.533 6.073 1.00 0.00 C ATOM 0 H ILE A 105 -4.076 3.401 7.451 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.575 2.638 6.192 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.895 3.192 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.147 5.216 6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.828 5.555 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.224 3.962 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.467 2.241 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.709 3.436 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.172 6.602 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.129 5.360 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.437 5.016 7.019 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.147 0.396 5.987 1.00 0.00 N ATOM 1568 CA TYR A 106 -3.890 -1.078 5.947 1.00 0.00 C ATOM 1569 C TYR A 106 -4.684 -2.001 6.953 1.00 0.00 C ATOM 1570 O TYR A 106 -4.778 -3.203 6.718 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.344 -1.256 6.111 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.638 -2.119 5.062 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.531 -3.500 5.229 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -0.967 -1.498 4.002 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.748 -4.255 4.353 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.196 -2.249 3.121 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.081 -3.622 3.304 1.00 0.00 C ATOM 1578 OH TYR A 106 0.640 -4.361 2.406 1.00 0.00 O ATOM 0 H TYR A 106 -3.305 0.945 6.161 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.279 -1.434 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.885 -0.268 6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.153 -1.689 7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.055 -3.987 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.048 -0.430 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.659 -5.323 4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.311 -1.767 2.298 1.00 0.00 H new ATOM 0 HH TYR A 106 1.040 -3.765 1.739 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.265 -1.484 8.057 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.255 -2.233 8.877 1.00 0.00 C ATOM 1590 C ALA A 107 -7.648 -2.435 8.191 1.00 0.00 C ATOM 1591 O ALA A 107 -8.055 -3.574 7.959 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.350 -1.511 10.236 1.00 0.00 C ATOM 0 H ALA A 107 -5.067 -0.546 8.406 1.00 0.00 H new ATOM 0 HA ALA A 107 -5.907 -3.258 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.068 -2.028 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.372 -1.511 10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.678 -0.483 10.080 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.356 -1.344 7.853 1.00 0.00 N ATOM 1599 CA LEU A 108 -9.694 -1.403 7.194 1.00 0.00 C ATOM 1600 C LEU A 108 -9.768 -2.033 5.763 1.00 0.00 C ATOM 1601 O LEU A 108 -10.728 -2.758 5.477 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.350 0.007 7.327 1.00 0.00 C ATOM 1603 CG LEU A 108 -9.754 1.211 6.537 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.317 1.362 5.111 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.058 2.527 7.268 1.00 0.00 C ATOM 0 H LEU A 108 -8.028 -0.394 8.024 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.285 -2.147 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.395 -0.091 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.340 0.273 8.384 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.686 1.005 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.854 2.221 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.100 0.461 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.396 1.511 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.637 3.361 6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.137 2.655 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.616 2.500 8.264 1.00 0.00 H new ATOM 1617 N PHE A 109 -8.786 -1.769 4.887 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.742 -2.341 3.516 1.00 0.00 C ATOM 1619 C PHE A 109 -8.298 -3.832 3.371 1.00 0.00 C ATOM 1620 O PHE A 109 -8.769 -4.478 2.437 1.00 0.00 O ATOM 1621 CB PHE A 109 -7.890 -1.412 2.598 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.705 -0.675 1.524 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.226 -1.395 0.443 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.965 0.693 1.629 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.047 -0.764 -0.488 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.761 1.330 0.679 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.313 0.592 -0.372 1.00 0.00 C ATOM 0 H PHE A 109 -7.999 -1.156 5.100 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.785 -2.375 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.377 -0.677 3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.120 -2.009 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.991 -2.443 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.548 1.259 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.477 -1.331 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.951 2.391 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.949 1.080 -1.096 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.393 -4.361 4.219 1.00 0.00 N ATOM 1638 CA GLN A 110 -6.800 -5.722 4.043 1.00 0.00 C ATOM 1639 C GLN A 110 -7.760 -6.982 3.909 1.00 0.00 C ATOM 1640 O GLN A 110 -7.419 -7.823 3.066 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.538 -5.849 4.938 1.00 0.00 C ATOM 1642 CG GLN A 110 -5.752 -6.076 6.451 1.00 0.00 C ATOM 1643 CD GLN A 110 -6.022 -7.528 6.840 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -5.488 -8.476 6.274 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -6.801 -7.707 7.871 1.00 0.00 N ATOM 0 H GLN A 110 -7.048 -3.869 5.043 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.480 -5.783 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.938 -6.675 4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.947 -4.942 4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.869 -5.727 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.589 -5.462 6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -7.235 -6.905 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.976 -8.649 8.221 1.00 0.00 H new ATOM 1654 N PRO A 111 -8.992 -7.118 4.500 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.029 -8.081 3.995 1.00 0.00 C ATOM 1656 C PRO A 111 -10.547 -7.948 2.513 1.00 0.00 C ATOM 1657 O PRO A 111 -11.194 -8.859 2.001 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.156 -7.908 5.036 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.444 -7.393 6.287 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.409 -6.415 5.730 1.00 0.00 C ATOM 0 HA PRO A 111 -9.591 -9.076 3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.911 -7.202 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.666 -8.852 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.137 -6.900 6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.972 -8.203 6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.838 -5.435 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.578 -6.258 6.417 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.291 -6.812 1.848 1.00 0.00 N ATOM 1669 CA HIS A 112 -10.555 -6.596 0.396 1.00 0.00 C ATOM 1670 C HIS A 112 -9.294 -6.156 -0.454 1.00 0.00 C ATOM 1671 O HIS A 112 -9.465 -5.481 -1.473 1.00 0.00 O ATOM 1672 CB HIS A 112 -11.715 -5.545 0.374 1.00 0.00 C ATOM 1673 CG HIS A 112 -12.603 -5.549 -0.870 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -13.782 -6.268 -0.944 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.379 -4.868 -2.082 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.170 -5.989 -2.230 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.400 -5.143 -2.982 1.00 0.00 N ATOM 0 H HIS A 112 -9.886 -5.994 2.303 1.00 0.00 H new ATOM 0 HA HIS A 112 -10.825 -7.531 -0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.346 -5.713 1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.280 -4.551 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.535 -4.225 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.066 -6.429 -2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.538 -4.809 -3.936 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.049 -6.550 -0.116 1.00 0.00 N ATOM 1687 CA LEU A 113 -6.953 -6.653 -1.129 1.00 0.00 C ATOM 1688 C LEU A 113 -6.829 -8.143 -1.524 1.00 0.00 C ATOM 1689 O LEU A 113 -6.365 -8.957 -0.726 1.00 0.00 O ATOM 1690 CB LEU A 113 -5.579 -6.077 -0.674 1.00 0.00 C ATOM 1691 CG LEU A 113 -5.391 -4.540 -0.521 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -6.254 -3.699 -1.468 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.557 -4.089 0.923 1.00 0.00 C ATOM 0 H LEU A 113 -7.770 -6.801 0.832 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.226 -6.028 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.340 -6.530 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.830 -6.426 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.360 -4.355 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.060 -2.641 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.009 -3.948 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.307 -3.910 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.418 -3.010 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.557 -4.347 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.815 -4.587 1.547 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.238 -8.487 -2.747 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.199 -9.884 -3.257 1.00 0.00 C ATOM 1707 C ASP A 114 -5.749 -10.438 -3.548 1.00 0.00 C ATOM 1708 O ASP A 114 -5.490 -11.623 -3.361 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.148 -10.005 -4.481 1.00 0.00 C ATOM 1710 CG ASP A 114 -9.569 -9.433 -4.329 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -9.733 -8.199 -4.470 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.512 -10.193 -4.030 1.00 0.00 O ATOM 0 H ASP A 114 -7.607 -7.816 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.556 -10.533 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.673 -9.509 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.235 -11.061 -4.738 1.00 0.00 H new ATOM 1717 N ARG A 115 -4.808 -9.583 -3.983 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.357 -9.903 -4.074 1.00 0.00 C ATOM 1719 C ARG A 115 -2.493 -8.979 -3.117 1.00 0.00 C ATOM 1720 O ARG A 115 -2.898 -7.868 -2.750 1.00 0.00 O ATOM 1721 CB ARG A 115 -2.920 -9.765 -5.560 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.684 -10.560 -6.663 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.938 -10.645 -8.016 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.693 -11.470 -7.883 1.00 0.00 N ATOM 1725 CZ ARG A 115 -0.526 -11.244 -8.474 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -0.302 -10.312 -9.343 1.00 0.00 N ATOM 1727 NH2 ARG A 115 0.470 -11.983 -8.174 1.00 0.00 N ATOM 0 H ARG A 115 -5.028 -8.635 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.185 -10.926 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -2.978 -8.708 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.870 -10.051 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.873 -11.571 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.655 -10.092 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.592 -11.083 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.681 -9.643 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.748 -12.288 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.055 -9.682 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.627 -10.207 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.362 -12.732 -7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.375 -11.824 -8.618 1.00 0.00 H new ATOM 1741 N MET A 116 -1.276 -9.399 -2.717 1.00 0.00 N ATOM 1742 CA MET A 116 -0.344 -8.559 -1.883 1.00 0.00 C ATOM 1743 C MET A 116 1.024 -8.383 -2.615 1.00 0.00 C ATOM 1744 O MET A 116 1.625 -9.383 -3.012 1.00 0.00 O ATOM 1745 CB MET A 116 -0.130 -9.213 -0.483 1.00 0.00 C ATOM 1746 CG MET A 116 -0.064 -8.291 0.745 1.00 0.00 C ATOM 1747 SD MET A 116 0.219 -9.348 2.186 1.00 0.00 S ATOM 1748 CE MET A 116 -0.122 -8.242 3.569 1.00 0.00 C ATOM 0 H MET A 116 -0.899 -10.317 -2.951 1.00 0.00 H new ATOM 0 HA MET A 116 -0.793 -7.576 -1.741 1.00 0.00 H new ATOM 0 HB2 MET A 116 -0.938 -9.926 -0.321 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.797 -9.785 -0.521 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.740 -7.562 0.637 1.00 0.00 H new ATOM 0 HG3 MET A 116 -0.991 -7.729 0.855 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.018 -8.779 4.507 1.00 0.00 H new ATOM 0 HE2 MET A 116 0.559 -7.392 3.532 1.00 0.00 H new ATOM 0 HE3 MET A 116 -1.150 -7.886 3.505 1.00 0.00 H new ATOM 1758 N VAL A 117 1.552 -7.154 -2.761 1.00 0.00 N ATOM 1759 CA VAL A 117 2.968 -6.928 -3.210 1.00 0.00 C ATOM 1760 C VAL A 117 3.794 -6.062 -2.197 1.00 0.00 C ATOM 1761 O VAL A 117 4.102 -4.892 -2.451 1.00 0.00 O ATOM 1762 CB VAL A 117 3.083 -6.431 -4.698 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.587 -7.491 -5.688 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.453 -5.072 -5.076 1.00 0.00 C ATOM 0 H VAL A 117 1.034 -6.295 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 117 3.437 -7.912 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 117 4.157 -6.260 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.682 -7.111 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.184 -8.396 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.541 -7.720 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.619 -4.876 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.382 -5.099 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.913 -4.281 -4.484 1.00 0.00 H new ATOM 1774 N LEU A 118 4.190 -6.648 -1.050 1.00 0.00 N ATOM 1775 CA LEU A 118 5.117 -5.994 -0.085 1.00 0.00 C ATOM 1776 C LEU A 118 6.618 -6.359 -0.361 1.00 0.00 C ATOM 1777 O LEU A 118 6.978 -7.515 -0.619 1.00 0.00 O ATOM 1778 CB LEU A 118 4.617 -6.139 1.388 1.00 0.00 C ATOM 1779 CG LEU A 118 4.601 -7.462 2.203 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.689 -8.553 1.628 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.991 -8.036 2.517 1.00 0.00 C ATOM 0 H LEU A 118 3.885 -7.578 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 118 5.097 -4.917 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.208 -5.435 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.590 -5.774 1.392 1.00 0.00 H new ATOM 0 HG LEU A 118 4.164 -7.144 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.740 -9.440 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.662 -8.189 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.016 -8.807 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.883 -8.958 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.517 -8.245 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.560 -7.312 3.101 1.00 0.00 H new ATOM 1793 N SER A 119 7.497 -5.346 -0.300 1.00 0.00 N ATOM 1794 CA SER A 119 8.965 -5.544 -0.350 1.00 0.00 C ATOM 1795 C SER A 119 9.523 -5.764 1.093 1.00 0.00 C ATOM 1796 O SER A 119 9.545 -4.839 1.917 1.00 0.00 O ATOM 1797 CB SER A 119 9.638 -4.306 -0.993 1.00 0.00 C ATOM 1798 OG SER A 119 9.162 -3.993 -2.307 1.00 0.00 O ATOM 0 H SER A 119 7.218 -4.369 -0.215 1.00 0.00 H new ATOM 0 HA SER A 119 9.186 -6.425 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.478 -3.443 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.714 -4.475 -1.040 1.00 0.00 H new ATOM 0 HG SER A 119 9.631 -3.202 -2.645 1.00 0.00 H new ATOM 1804 N ARG A 120 9.983 -6.974 1.431 1.00 0.00 N ATOM 1805 CA ARG A 120 10.623 -7.235 2.753 1.00 0.00 C ATOM 1806 C ARG A 120 12.160 -6.968 2.664 1.00 0.00 C ATOM 1807 O ARG A 120 12.886 -7.641 1.931 1.00 0.00 O ATOM 1808 CB ARG A 120 10.169 -8.632 3.248 1.00 0.00 C ATOM 1809 CG ARG A 120 10.675 -9.045 4.654 1.00 0.00 C ATOM 1810 CD ARG A 120 12.098 -9.656 4.652 1.00 0.00 C ATOM 1811 NE ARG A 120 12.003 -11.135 4.772 1.00 0.00 N ATOM 1812 CZ ARG A 120 12.272 -11.846 5.855 1.00 0.00 C ATOM 1813 NH1 ARG A 120 12.800 -11.343 6.936 1.00 0.00 N ATOM 1814 NH2 ARG A 120 11.989 -13.107 5.828 1.00 0.00 N ATOM 0 H ARG A 120 9.931 -7.791 0.822 1.00 0.00 H new ATOM 0 HA ARG A 120 10.297 -6.543 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.079 -8.659 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.504 -9.379 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.666 -8.170 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.980 -9.767 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 120 12.619 -9.388 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 120 12.681 -9.250 5.479 1.00 0.00 H new ATOM 0 HE ARG A 120 11.703 -11.649 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.029 -10.350 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.984 -11.943 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.574 -13.519 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.181 -13.690 6.642 1.00 0.00 H new ATOM 1828 N VAL A 121 12.635 -5.973 3.415 1.00 0.00 N ATOM 1829 CA VAL A 121 14.031 -5.457 3.337 1.00 0.00 C ATOM 1830 C VAL A 121 14.788 -5.917 4.646 1.00 0.00 C ATOM 1831 O VAL A 121 14.570 -5.297 5.695 1.00 0.00 O ATOM 1832 CB VAL A 121 13.986 -3.902 3.123 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.393 -3.290 2.931 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.128 -3.403 1.929 1.00 0.00 C ATOM 0 H VAL A 121 12.066 -5.487 4.108 1.00 0.00 H new ATOM 0 HA VAL A 121 14.585 -5.859 2.489 1.00 0.00 H new ATOM 0 HB VAL A 121 13.515 -3.568 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.305 -2.213 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 121 16.000 -3.490 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.867 -3.735 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.171 -2.315 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.515 -3.824 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.094 -3.719 2.067 1.00 0.00 H new ATOM 1844 N PRO A 122 15.635 -6.990 4.675 1.00 0.00 N ATOM 1845 CA PRO A 122 16.301 -7.457 5.930 1.00 0.00 C ATOM 1846 C PRO A 122 17.661 -6.763 6.287 1.00 0.00 C ATOM 1847 O PRO A 122 18.419 -6.331 5.410 1.00 0.00 O ATOM 1848 CB PRO A 122 16.461 -8.954 5.601 1.00 0.00 C ATOM 1849 CG PRO A 122 16.724 -9.009 4.090 1.00 0.00 C ATOM 1850 CD PRO A 122 15.881 -7.871 3.514 1.00 0.00 C ATOM 0 HA PRO A 122 15.729 -7.221 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.287 -9.394 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.563 -9.513 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.782 -8.872 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.431 -9.972 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.409 -7.346 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 122 14.948 -8.241 3.088 1.00 0.00 H new ATOM 1935 N THR A 129 4.879 1.643 13.909 1.00 0.00 N ATOM 1936 CA THR A 129 3.565 0.922 14.031 1.00 0.00 C ATOM 1937 C THR A 129 3.688 -0.641 13.834 1.00 0.00 C ATOM 1938 O THR A 129 4.760 -1.188 13.556 1.00 0.00 O ATOM 1939 CB THR A 129 2.464 1.606 13.125 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.984 2.599 12.248 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.373 2.337 13.924 1.00 0.00 C ATOM 0 HA THR A 129 3.227 1.024 15.062 1.00 0.00 H new ATOM 0 HB THR A 129 2.060 0.755 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.944 2.710 12.412 1.00 0.00 H new ATOM 0 HG21 THR A 129 0.654 2.781 13.236 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.862 1.628 14.575 1.00 0.00 H new ATOM 0 HG23 THR A 129 1.829 3.121 14.528 1.00 0.00 H new ATOM 1949 N TYR A 130 2.578 -1.377 14.032 1.00 0.00 N ATOM 1950 CA TYR A 130 2.542 -2.875 13.974 1.00 0.00 C ATOM 1951 C TYR A 130 1.594 -3.413 12.831 1.00 0.00 C ATOM 1952 O TYR A 130 0.705 -2.695 12.358 1.00 0.00 O ATOM 1953 CB TYR A 130 2.126 -3.358 15.398 1.00 0.00 C ATOM 1954 CG TYR A 130 2.627 -4.750 15.827 1.00 0.00 C ATOM 1955 CD1 TYR A 130 3.882 -4.881 16.429 1.00 0.00 C ATOM 1956 CD2 TYR A 130 1.803 -5.875 15.712 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.304 -6.115 16.920 1.00 0.00 C ATOM 1958 CE2 TYR A 130 2.236 -7.115 16.181 1.00 0.00 C ATOM 1959 CZ TYR A 130 3.483 -7.232 16.783 1.00 0.00 C ATOM 1960 OH TYR A 130 3.899 -8.448 17.259 1.00 0.00 O ATOM 0 H TYR A 130 1.670 -0.960 14.238 1.00 0.00 H new ATOM 0 HA TYR A 130 3.519 -3.279 13.710 1.00 0.00 H new ATOM 0 HB2 TYR A 130 2.485 -2.628 16.124 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.037 -3.355 15.454 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.529 -4.020 16.514 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.827 -5.783 15.258 1.00 0.00 H new ATOM 0 HE1 TYR A 130 5.265 -6.205 17.405 1.00 0.00 H new ATOM 0 HE2 TYR A 130 1.603 -7.984 16.076 1.00 0.00 H new ATOM 0 HH TYR A 130 3.209 -9.121 17.084 1.00 0.00 H new ATOM 1970 N TYR A 131 1.710 -4.693 12.421 1.00 0.00 N ATOM 1971 CA TYR A 131 0.664 -5.378 11.594 1.00 0.00 C ATOM 1972 C TYR A 131 -0.750 -5.474 12.294 1.00 0.00 C ATOM 1973 O TYR A 131 -0.764 -5.940 13.439 1.00 0.00 O ATOM 1974 CB TYR A 131 1.151 -6.810 11.209 1.00 0.00 C ATOM 1975 CG TYR A 131 1.652 -6.981 9.770 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.744 -6.871 8.704 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.965 -7.365 9.516 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.159 -7.162 7.404 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.372 -7.666 8.216 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.462 -7.562 7.167 1.00 0.00 C ATOM 1981 OH TYR A 131 2.842 -7.938 5.908 1.00 0.00 O ATOM 0 H TYR A 131 2.512 -5.283 12.643 1.00 0.00 H new ATOM 0 HA TYR A 131 0.527 -4.760 10.707 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.954 -7.095 11.889 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.331 -7.509 11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.274 -6.562 8.890 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.673 -7.430 10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.463 -7.075 6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.388 -7.978 8.024 1.00 0.00 H new ATOM 0 HH TYR A 131 2.307 -7.452 5.246 1.00 0.00 H new ATOM 1991 N PRO A 132 -1.935 -5.116 11.705 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.225 -5.112 12.459 1.00 0.00 C ATOM 1993 C PRO A 132 -3.834 -6.545 12.694 1.00 0.00 C ATOM 1994 O PRO A 132 -3.408 -7.242 13.621 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.062 -4.056 11.686 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.095 -3.367 10.721 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.066 -4.442 10.400 1.00 0.00 C ATOM 0 HA PRO A 132 -3.149 -4.826 13.508 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -4.881 -4.529 11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.508 -3.335 12.371 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -3.606 -3.023 9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.630 -2.493 11.178 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.410 -5.121 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.121 -4.018 10.060 1.00 0.00 H new ATOM 2005 N GLU A 133 -4.786 -6.993 11.859 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.406 -8.349 11.965 1.00 0.00 C ATOM 2007 C GLU A 133 -5.303 -9.155 10.612 1.00 0.00 C ATOM 2008 O GLU A 133 -6.307 -9.530 10.007 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.786 -8.221 12.710 1.00 0.00 C ATOM 2010 CG GLU A 133 -7.998 -7.482 12.051 1.00 0.00 C ATOM 2011 CD GLU A 133 -9.007 -6.762 12.961 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.875 -6.767 14.205 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -9.940 -6.146 12.405 1.00 0.00 O ATOM 0 H GLU A 133 -5.155 -6.436 11.089 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.844 -9.026 12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.118 -9.233 12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.590 -7.725 13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.597 -6.746 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.549 -8.213 11.460 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.058 -9.415 10.130 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.801 -10.067 8.818 1.00 0.00 C ATOM 2022 C TRP A 134 -3.932 -11.627 8.869 1.00 0.00 C ATOM 2023 O TRP A 134 -3.723 -12.263 9.913 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.496 -9.476 8.167 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.133 -10.190 8.332 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.372 -10.693 7.251 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.368 -10.451 9.463 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.851 -11.244 7.670 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.819 -11.105 9.047 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.619 -10.238 10.844 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.761 -11.549 10.004 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.321 -10.692 11.772 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.497 -11.333 11.358 1.00 0.00 C ATOM 0 H TRP A 134 -3.206 -9.179 10.639 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.599 -9.813 8.120 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.684 -9.388 7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.376 -8.464 8.553 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.694 -10.658 6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.589 -11.651 7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.518 -9.736 11.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.668 -12.046 9.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.139 -10.547 12.827 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.210 -11.665 12.098 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.359 -12.213 7.754 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.986 -13.559 7.745 1.00 0.00 C ATOM 2046 C ASP A 135 -3.918 -14.705 7.765 1.00 0.00 C ATOM 2047 O ASP A 135 -3.359 -15.119 6.748 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.968 -13.642 6.541 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.995 -12.523 6.372 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.606 -11.426 5.929 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -8.203 -12.754 6.540 1.00 0.00 O ATOM 0 H ASP A 135 -4.288 -11.784 6.831 1.00 0.00 H new ATOM 0 HA ASP A 135 -5.559 -13.706 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -5.374 -13.690 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.511 -14.584 6.618 1.00 0.00 H new ATOM 2056 N ALA A 136 -3.595 -15.167 8.987 1.00 0.00 N ATOM 2057 CA ALA A 136 -2.444 -16.089 9.225 1.00 0.00 C ATOM 2058 C ALA A 136 -2.501 -17.550 8.661 1.00 0.00 C ATOM 2059 O ALA A 136 -1.441 -18.115 8.406 1.00 0.00 O ATOM 2060 CB ALA A 136 -2.144 -16.022 10.737 1.00 0.00 C ATOM 0 H ALA A 136 -4.110 -14.922 9.833 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.623 -15.725 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.307 -16.680 10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.890 -14.999 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -3.023 -16.340 11.297 1.00 0.00 H new ATOM 2066 N ALA A 137 -3.684 -18.166 8.463 1.00 0.00 N ATOM 2067 CA ALA A 137 -3.839 -19.280 7.487 1.00 0.00 C ATOM 2068 C ALA A 137 -4.268 -18.827 6.047 1.00 0.00 C ATOM 2069 O ALA A 137 -3.701 -19.309 5.075 1.00 0.00 O ATOM 2070 CB ALA A 137 -4.763 -20.354 8.107 1.00 0.00 C ATOM 0 H ALA A 137 -4.542 -17.919 8.957 1.00 0.00 H new ATOM 0 HA ALA A 137 -2.857 -19.718 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.887 -21.178 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -4.318 -20.728 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.736 -19.914 8.326 1.00 0.00 H new ATOM 2076 N GLU A 138 -5.220 -17.878 5.906 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.848 -17.541 4.590 1.00 0.00 C ATOM 2078 C GLU A 138 -5.231 -16.381 3.697 1.00 0.00 C ATOM 2079 O GLU A 138 -5.929 -15.804 2.851 1.00 0.00 O ATOM 2080 CB GLU A 138 -7.354 -17.362 4.950 1.00 0.00 C ATOM 2081 CG GLU A 138 -8.122 -18.644 5.412 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.419 -18.822 6.896 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -7.674 -18.305 7.761 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.402 -19.537 7.192 1.00 0.00 O ATOM 0 H GLU A 138 -5.577 -17.325 6.685 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.643 -18.343 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.428 -16.617 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.866 -16.954 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.072 -18.671 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.548 -19.510 5.083 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.908 -16.170 3.755 1.00 0.00 N ATOM 2092 CA TRP A 139 -3.107 -15.559 2.654 1.00 0.00 C ATOM 2093 C TRP A 139 -2.167 -16.653 2.012 1.00 0.00 C ATOM 2094 O TRP A 139 -1.234 -17.136 2.658 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.291 -14.374 3.249 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.945 -12.993 3.123 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.443 -12.248 4.197 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.130 -12.195 2.012 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.959 -10.997 3.805 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.741 -10.988 2.442 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.825 -12.409 0.639 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.034 -9.972 1.503 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.136 -11.394 -0.269 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -3.711 -10.188 0.160 1.00 0.00 C ATOM 0 H TRP A 139 -3.347 -16.417 4.570 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.754 -15.180 1.862 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.108 -14.575 4.305 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.319 -14.342 2.758 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.433 -12.595 5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.388 -10.276 4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.366 -13.329 0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.498 -9.048 1.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -2.930 -11.540 -1.319 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.908 -9.410 -0.563 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.426 -17.046 0.756 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.571 -18.013 0.004 1.00 0.00 C ATOM 2117 C GLU A 140 -0.440 -17.290 -0.818 1.00 0.00 C ATOM 2118 O GLU A 140 -0.570 -16.136 -1.241 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.464 -18.952 -0.870 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.453 -19.887 -0.088 1.00 0.00 C ATOM 2121 CD GLU A 140 -4.033 -21.079 -0.856 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -3.273 -22.017 -1.178 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -5.265 -21.113 -1.090 1.00 0.00 O ATOM 0 H GLU A 140 -3.229 -16.711 0.223 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.043 -18.641 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.045 -18.334 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.811 -19.576 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.935 -20.270 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.283 -19.278 0.271 1.00 0.00 H new ATOM 2130 N LEU A 141 0.708 -17.959 -1.034 1.00 0.00 N ATOM 2131 CA LEU A 141 1.866 -17.379 -1.781 1.00 0.00 C ATOM 2132 C LEU A 141 1.813 -17.696 -3.322 1.00 0.00 C ATOM 2133 O LEU A 141 1.660 -18.851 -3.733 1.00 0.00 O ATOM 2134 CB LEU A 141 3.198 -17.837 -1.110 1.00 0.00 C ATOM 2135 CG LEU A 141 3.508 -17.191 0.278 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.315 -18.173 1.447 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.914 -16.568 0.325 1.00 0.00 C ATOM 0 H LEU A 141 0.870 -18.910 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 141 1.810 -16.292 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.170 -18.920 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.022 -17.613 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 141 2.778 -16.391 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.544 -17.670 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.282 -18.520 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 141 3.982 -19.026 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.086 -16.131 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.660 -17.339 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.994 -15.792 -0.436 1.00 0.00 H new ATOM 2149 N ASP A 142 1.960 -16.656 -4.155 1.00 0.00 N ATOM 2150 CA ASP A 142 1.933 -16.745 -5.655 1.00 0.00 C ATOM 2151 C ASP A 142 3.395 -16.827 -6.229 1.00 0.00 C ATOM 2152 O ASP A 142 3.780 -17.847 -6.810 1.00 0.00 O ATOM 2153 CB ASP A 142 1.069 -15.522 -6.101 1.00 0.00 C ATOM 2154 CG ASP A 142 0.782 -15.324 -7.580 1.00 0.00 C ATOM 2155 OD1 ASP A 142 -0.124 -15.974 -8.132 1.00 0.00 O ATOM 2156 OD2 ASP A 142 1.411 -14.435 -8.176 1.00 0.00 O ATOM 0 H ASP A 142 2.105 -15.704 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 142 1.480 -17.652 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.111 -15.591 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.562 -14.620 -5.738 1.00 0.00 H new ATOM 2161 N ALA A 143 4.225 -15.776 -6.042 1.00 0.00 N ATOM 2162 CA ALA A 143 5.615 -15.710 -6.579 1.00 0.00 C ATOM 2163 C ALA A 143 6.609 -14.875 -5.687 1.00 0.00 C ATOM 2164 O ALA A 143 6.450 -13.660 -5.556 1.00 0.00 O ATOM 2165 CB ALA A 143 5.485 -15.122 -8.005 1.00 0.00 C ATOM 0 H ALA A 143 3.955 -14.946 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 143 6.058 -16.706 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.473 -15.046 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 143 4.856 -15.774 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.034 -14.131 -7.950 1.00 0.00 H new ATOM 2171 N GLU A 144 7.678 -15.479 -5.121 1.00 0.00 N ATOM 2172 CA GLU A 144 8.754 -14.715 -4.394 1.00 0.00 C ATOM 2173 C GLU A 144 10.054 -14.509 -5.262 1.00 0.00 C ATOM 2174 O GLU A 144 10.500 -15.410 -5.983 1.00 0.00 O ATOM 2175 CB GLU A 144 8.978 -15.334 -2.977 1.00 0.00 C ATOM 2176 CG GLU A 144 9.889 -14.499 -2.016 1.00 0.00 C ATOM 2177 CD GLU A 144 9.697 -14.562 -0.501 1.00 0.00 C ATOM 2178 OE1 GLU A 144 8.812 -15.276 0.009 1.00 0.00 O ATOM 2179 OE2 GLU A 144 10.415 -13.811 0.196 1.00 0.00 O ATOM 0 H GLU A 144 7.831 -16.487 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 144 8.418 -13.692 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.007 -15.471 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.417 -16.324 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.920 -14.789 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.788 -13.454 -2.308 1.00 0.00 H new ATOM 2186 N THR A 145 10.658 -13.298 -5.221 1.00 0.00 N ATOM 2187 CA THR A 145 11.914 -12.967 -5.978 1.00 0.00 C ATOM 2188 C THR A 145 13.021 -12.307 -5.063 1.00 0.00 C ATOM 2189 O THR A 145 12.998 -11.091 -4.815 1.00 0.00 O ATOM 2190 CB THR A 145 11.624 -12.101 -7.255 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.946 -10.898 -6.916 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.785 -12.783 -8.354 1.00 0.00 C ATOM 0 H THR A 145 10.300 -12.519 -4.669 1.00 0.00 H new ATOM 0 HA THR A 145 12.320 -13.919 -6.320 1.00 0.00 H new ATOM 0 HB THR A 145 12.621 -11.925 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.418 -10.452 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.647 -12.094 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.302 -13.677 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.812 -13.062 -7.949 1.00 0.00 H new ATOM 2200 N ASP A 146 14.053 -13.081 -4.658 1.00 0.00 N ATOM 2201 CA ASP A 146 15.262 -12.545 -3.948 1.00 0.00 C ATOM 2202 C ASP A 146 16.132 -11.501 -4.756 1.00 0.00 C ATOM 2203 O ASP A 146 16.275 -11.554 -5.986 1.00 0.00 O ATOM 2204 CB ASP A 146 16.182 -13.714 -3.484 1.00 0.00 C ATOM 2205 CG ASP A 146 15.826 -14.387 -2.167 1.00 0.00 C ATOM 2206 OD1 ASP A 146 15.914 -13.714 -1.118 1.00 0.00 O ATOM 2207 OD2 ASP A 146 15.542 -15.602 -2.168 1.00 0.00 O ATOM 0 H ASP A 146 14.083 -14.090 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 146 14.849 -11.994 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.184 -14.475 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 146 17.201 -13.334 -3.407 1.00 0.00 H new ATOM 2212 N HIS A 147 16.713 -10.533 -4.027 1.00 0.00 N ATOM 2213 CA HIS A 147 17.660 -9.516 -4.590 1.00 0.00 C ATOM 2214 C HIS A 147 18.836 -9.196 -3.597 1.00 0.00 C ATOM 2215 O HIS A 147 18.787 -9.516 -2.404 1.00 0.00 O ATOM 2216 CB HIS A 147 16.893 -8.203 -4.974 1.00 0.00 C ATOM 2217 CG HIS A 147 15.805 -8.311 -6.040 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.517 -8.702 -5.742 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.953 -8.181 -7.429 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.979 -8.831 -6.986 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.758 -8.512 -8.070 1.00 0.00 N ATOM 0 H HIS A 147 16.548 -10.421 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 147 18.100 -9.944 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.439 -7.801 -4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.626 -7.472 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.859 -7.870 -7.929 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.964 -9.176 -7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.528 -8.516 -9.064 1.00 0.00 H new ATOM 2230 N GLU A 148 19.875 -8.487 -4.078 1.00 0.00 N ATOM 2231 CA GLU A 148 21.011 -7.962 -3.251 1.00 0.00 C ATOM 2232 C GLU A 148 20.762 -7.230 -1.877 1.00 0.00 C ATOM 2233 O GLU A 148 21.641 -7.245 -1.012 1.00 0.00 O ATOM 2234 CB GLU A 148 21.869 -7.115 -4.234 1.00 0.00 C ATOM 2235 CG GLU A 148 21.217 -5.822 -4.824 1.00 0.00 C ATOM 2236 CD GLU A 148 21.044 -5.802 -6.336 1.00 0.00 C ATOM 2237 OE1 GLU A 148 21.969 -5.350 -7.044 1.00 0.00 O ATOM 2238 OE2 GLU A 148 19.967 -6.229 -6.815 1.00 0.00 O ATOM 0 H GLU A 148 19.963 -8.252 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 148 21.498 -8.844 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.785 -6.826 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.160 -7.756 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.239 -5.688 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.826 -4.966 -4.535 1.00 0.00 H new ATOM 2245 N GLY A 149 19.582 -6.629 -1.654 1.00 0.00 N ATOM 2246 CA GLY A 149 19.105 -6.317 -0.274 1.00 0.00 C ATOM 2247 C GLY A 149 17.576 -6.127 -0.093 1.00 0.00 C ATOM 2248 O GLY A 149 17.161 -5.251 0.663 1.00 0.00 O ATOM 0 H GLY A 149 18.939 -6.348 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 149 19.429 -7.120 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.603 -5.407 0.061 1.00 0.00 H new ATOM 2252 N PHE A 150 16.742 -6.950 -0.753 1.00 0.00 N ATOM 2253 CA PHE A 150 15.258 -6.977 -0.566 1.00 0.00 C ATOM 2254 C PHE A 150 14.626 -8.248 -1.247 1.00 0.00 C ATOM 2255 O PHE A 150 15.026 -8.647 -2.343 1.00 0.00 O ATOM 2256 CB PHE A 150 14.539 -5.658 -1.019 1.00 0.00 C ATOM 2257 CG PHE A 150 14.185 -5.475 -2.512 1.00 0.00 C ATOM 2258 CD1 PHE A 150 15.166 -5.189 -3.462 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.862 -5.665 -2.934 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.834 -5.086 -4.811 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.526 -5.545 -4.277 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.509 -5.247 -5.217 1.00 0.00 C ATOM 0 H PHE A 150 17.071 -7.627 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 150 15.090 -7.042 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.614 -5.574 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 150 15.172 -4.820 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 150 16.190 -5.046 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 150 12.098 -5.906 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.602 -4.882 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.502 -5.683 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 150 13.246 -5.141 -6.259 1.00 0.00 H new ATOM 2272 N THR A 151 13.571 -8.819 -0.659 1.00 0.00 N ATOM 2273 CA THR A 151 12.683 -9.805 -1.358 1.00 0.00 C ATOM 2274 C THR A 151 11.300 -9.150 -1.713 1.00 0.00 C ATOM 2275 O THR A 151 10.575 -8.668 -0.835 1.00 0.00 O ATOM 2276 CB THR A 151 12.607 -11.151 -0.571 1.00 0.00 C ATOM 2277 OG1 THR A 151 11.763 -12.049 -1.276 1.00 0.00 O ATOM 2278 CG2 THR A 151 12.087 -11.109 0.874 1.00 0.00 C ATOM 0 H THR A 151 13.294 -8.626 0.304 1.00 0.00 H new ATOM 0 HA THR A 151 13.118 -10.079 -2.319 1.00 0.00 H new ATOM 0 HB THR A 151 13.651 -11.455 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 151 11.158 -12.493 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.091 -12.116 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 151 12.730 -10.465 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 151 11.070 -10.716 0.884 1.00 0.00 H new ATOM 2286 N LEU A 152 10.917 -9.130 -3.006 1.00 0.00 N ATOM 2287 CA LEU A 152 9.479 -8.967 -3.407 1.00 0.00 C ATOM 2288 C LEU A 152 8.738 -10.327 -3.244 1.00 0.00 C ATOM 2289 O LEU A 152 9.111 -11.310 -3.890 1.00 0.00 O ATOM 2290 CB LEU A 152 9.403 -8.409 -4.866 1.00 0.00 C ATOM 2291 CG LEU A 152 8.036 -8.286 -5.614 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.476 -9.604 -6.188 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.958 -7.520 -4.825 1.00 0.00 C ATOM 0 H LEU A 152 11.563 -9.222 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 152 8.979 -8.246 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.848 -7.414 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.047 -9.037 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 152 8.299 -7.677 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.526 -9.409 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.184 -10.018 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.321 -10.317 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.040 -7.478 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.764 -8.032 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.306 -6.507 -4.623 1.00 0.00 H new ATOM 2305 N GLN A 153 7.684 -10.358 -2.429 1.00 0.00 N ATOM 2306 CA GLN A 153 6.747 -11.517 -2.353 1.00 0.00 C ATOM 2307 C GLN A 153 5.353 -11.098 -2.942 1.00 0.00 C ATOM 2308 O GLN A 153 4.659 -10.241 -2.383 1.00 0.00 O ATOM 2309 CB GLN A 153 6.724 -12.161 -0.928 1.00 0.00 C ATOM 2310 CG GLN A 153 7.037 -11.293 0.322 1.00 0.00 C ATOM 2311 CD GLN A 153 6.920 -12.002 1.666 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.050 -11.712 2.469 1.00 0.00 O ATOM 2313 NE2 GLN A 153 7.786 -12.916 2.009 1.00 0.00 N ATOM 0 H GLN A 153 7.442 -9.593 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 153 7.102 -12.334 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.734 -12.592 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.434 -12.988 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 153 8.050 -10.902 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.363 -10.436 0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 153 8.528 -13.184 1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.721 -13.362 2.924 1.00 0.00 H new ATOM 2322 N GLU A 154 4.970 -11.693 -4.089 1.00 0.00 N ATOM 2323 CA GLU A 154 3.583 -11.637 -4.634 1.00 0.00 C ATOM 2324 C GLU A 154 2.688 -12.718 -3.932 1.00 0.00 C ATOM 2325 O GLU A 154 3.029 -13.903 -3.884 1.00 0.00 O ATOM 2326 CB GLU A 154 3.600 -11.772 -6.200 1.00 0.00 C ATOM 2327 CG GLU A 154 3.434 -10.441 -6.988 1.00 0.00 C ATOM 2328 CD GLU A 154 3.638 -10.443 -8.493 1.00 0.00 C ATOM 2329 OE1 GLU A 154 4.794 -10.291 -8.937 1.00 0.00 O ATOM 2330 OE2 GLU A 154 2.630 -10.489 -9.237 1.00 0.00 O ATOM 0 H GLU A 154 5.611 -12.231 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 154 3.140 -10.666 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.541 -12.235 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 154 2.802 -12.452 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.429 -10.067 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 154 4.131 -9.719 -6.563 1.00 0.00 H new ATOM 2337 N TRP A 155 1.554 -12.288 -3.365 1.00 0.00 N ATOM 2338 CA TRP A 155 0.587 -13.192 -2.668 1.00 0.00 C ATOM 2339 C TRP A 155 -0.828 -13.188 -3.356 1.00 0.00 C ATOM 2340 O TRP A 155 -1.170 -12.310 -4.158 1.00 0.00 O ATOM 2341 CB TRP A 155 0.437 -12.776 -1.174 1.00 0.00 C ATOM 2342 CG TRP A 155 1.648 -12.768 -0.230 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.704 -11.841 -0.279 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.827 -13.466 0.953 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.532 -11.931 0.853 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.975 -12.949 1.597 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.078 -14.505 1.562 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.374 -13.456 2.856 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.507 -15.009 2.794 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.638 -14.490 3.433 1.00 0.00 C ATOM 0 H TRP A 155 1.267 -11.309 -3.368 1.00 0.00 H new ATOM 0 HA TRP A 155 0.991 -14.202 -2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 155 0.017 -11.770 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.308 -13.437 -0.732 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.860 -11.144 -1.089 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.356 -11.372 1.073 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.194 -14.899 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.236 -13.048 3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 0.956 -15.812 3.260 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.945 -14.896 4.386 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.681 -14.148 -2.960 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.124 -14.227 -3.362 1.00 0.00 C ATOM 2363 C VAL A 156 -4.034 -14.620 -2.131 1.00 0.00 C ATOM 2364 O VAL A 156 -3.631 -15.398 -1.265 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.246 -15.170 -4.612 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -3.029 -16.679 -4.329 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.573 -14.970 -5.381 1.00 0.00 C ATOM 0 H VAL A 156 -1.398 -14.909 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.502 -13.252 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.412 -14.853 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -3.135 -17.242 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -2.029 -16.833 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.770 -17.024 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -4.604 -15.647 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.413 -15.182 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -4.639 -13.940 -5.732 1.00 0.00 H new ATOM 2377 N ARG A 157 -5.268 -14.095 -2.005 1.00 0.00 N ATOM 2378 CA ARG A 157 -6.215 -14.520 -0.922 1.00 0.00 C ATOM 2379 C ARG A 157 -6.838 -15.953 -1.133 1.00 0.00 C ATOM 2380 O ARG A 157 -6.918 -16.470 -2.253 1.00 0.00 O ATOM 2381 CB ARG A 157 -7.332 -13.447 -0.766 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.913 -12.082 -0.158 1.00 0.00 C ATOM 2383 CD ARG A 157 -8.070 -11.304 0.514 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.635 -12.020 1.699 1.00 0.00 N ATOM 2385 CZ ARG A 157 -8.258 -11.863 2.958 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -7.309 -11.073 3.331 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -8.870 -12.547 3.862 1.00 0.00 N ATOM 0 H ARG A 157 -5.643 -13.380 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.631 -14.597 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.765 -13.262 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.122 -13.867 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.128 -12.251 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.483 -11.463 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.710 -10.323 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.862 -11.137 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.381 -12.692 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.801 -10.524 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.067 -10.998 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.620 -13.186 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.604 -12.450 4.842 1.00 0.00 H new ATOM 2401 N SER A 158 -7.312 -16.575 -0.039 1.00 0.00 N ATOM 2402 CA SER A 158 -7.747 -18.006 -0.016 1.00 0.00 C ATOM 2403 C SER A 158 -8.944 -18.428 -0.943 1.00 0.00 C ATOM 2404 O SER A 158 -10.124 -18.380 -0.571 1.00 0.00 O ATOM 2405 CB SER A 158 -8.012 -18.290 1.480 1.00 0.00 C ATOM 2406 OG SER A 158 -8.099 -19.686 1.727 1.00 0.00 O ATOM 0 H SER A 158 -7.409 -16.109 0.863 1.00 0.00 H new ATOM 0 HA SER A 158 -6.964 -18.621 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.212 -17.860 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.938 -17.805 1.787 1.00 0.00 H new ATOM 0 HG SER A 158 -8.265 -19.840 2.680 1.00 0.00 H new