USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 81 HIS : no HD1:sc= -7.9! C(o=-13!,f=-11!) USER MOD Set 1.2: A 85 ASN : amide:sc= -4.84! C(o=-13!,f=-12!) USER MOD Set 2.1: A 64 THR OG1 : rot -18:sc= 0.209 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.278 K(o=0.49,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0765 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.588 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 113:sc= 1.03 USER MOD Single : A 20 SER OG : rot -170:sc= -0.134 USER MOD Single : A 24 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.016) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.169 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -6.65! C(o=-6.6!,f=-5.1!) USER MOD Single : A 55 MET CE :methyl 137:sc= -5.16! (180deg=-6.74!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0395) USER MOD Single : A 60 GLN : amide:sc= -3.97! C(o=-4!,f=-3.7!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -151:sc= -0.0133 (180deg=-0.319) USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= -0.592 (180deg=-2.42!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= -0.0336 (180deg=-0.0336) USER MOD Single : A 87 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.8) USER MOD Single : A 88 SER OG : rot 10:sc= 0.886 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.848 12.004 39.745 1.00 0.00 N ATOM 2 CA GLY A 1 -9.935 12.893 38.601 1.00 0.00 C ATOM 3 C GLY A 1 -8.579 13.185 37.990 1.00 0.00 C ATOM 4 O GLY A 1 -7.545 12.943 38.612 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.208 11.064 39.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.856 11.923 40.047 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.417 12.387 40.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.582 12.446 37.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.402 13.829 38.907 1.00 0.00 H new ATOM 8 N SER A 2 -8.583 13.705 36.767 1.00 0.00 N ATOM 9 CA SER A 2 -7.343 14.025 36.068 1.00 0.00 C ATOM 10 C SER A 2 -7.629 14.779 34.773 1.00 0.00 C ATOM 11 O SER A 2 -8.774 14.861 34.329 1.00 0.00 O ATOM 12 CB SER A 2 -6.559 12.747 35.765 1.00 0.00 C ATOM 13 OG SER A 2 -7.286 11.896 34.897 1.00 0.00 O ATOM 0 H SER A 2 -9.431 13.914 36.239 1.00 0.00 H new ATOM 0 HA SER A 2 -6.744 14.665 36.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.602 13.003 35.311 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.340 12.222 36.695 1.00 0.00 H new ATOM 0 HG SER A 2 -6.762 11.087 34.718 1.00 0.00 H new ATOM 19 N SER A 3 -6.578 15.329 34.172 1.00 0.00 N ATOM 20 CA SER A 3 -6.715 16.080 32.930 1.00 0.00 C ATOM 21 C SER A 3 -5.349 16.488 32.388 1.00 0.00 C ATOM 22 O SER A 3 -4.330 16.332 33.060 1.00 0.00 O ATOM 23 CB SER A 3 -7.580 17.323 33.152 1.00 0.00 C ATOM 24 OG SER A 3 -6.870 18.316 33.872 1.00 0.00 O ATOM 0 H SER A 3 -5.623 15.268 34.525 1.00 0.00 H new ATOM 0 HA SER A 3 -7.200 15.435 32.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.899 17.725 32.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.483 17.049 33.698 1.00 0.00 H new ATOM 0 HG SER A 3 -7.443 19.100 33.999 1.00 0.00 H new ATOM 30 N GLY A 4 -5.335 17.013 31.166 1.00 0.00 N ATOM 31 CA GLY A 4 -4.089 17.435 30.554 1.00 0.00 C ATOM 32 C GLY A 4 -4.262 17.826 29.100 1.00 0.00 C ATOM 33 O GLY A 4 -5.385 17.962 28.615 1.00 0.00 O ATOM 0 H GLY A 4 -6.165 17.153 30.589 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.683 18.281 31.109 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.360 16.627 30.626 1.00 0.00 H new ATOM 37 N SER A 5 -3.146 18.010 28.402 1.00 0.00 N ATOM 38 CA SER A 5 -3.178 18.394 26.995 1.00 0.00 C ATOM 39 C SER A 5 -1.783 18.323 26.380 1.00 0.00 C ATOM 40 O SER A 5 -0.778 18.436 27.081 1.00 0.00 O ATOM 41 CB SER A 5 -3.743 19.808 26.844 1.00 0.00 C ATOM 42 OG SER A 5 -3.053 20.725 27.675 1.00 0.00 O ATOM 0 H SER A 5 -2.208 17.899 28.788 1.00 0.00 H new ATOM 0 HA SER A 5 -3.825 17.693 26.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.665 20.125 25.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.803 19.808 27.098 1.00 0.00 H new ATOM 0 HG SER A 5 -3.432 21.621 27.559 1.00 0.00 H new ATOM 48 N SER A 6 -1.732 18.136 25.065 1.00 0.00 N ATOM 49 CA SER A 6 -0.462 18.046 24.355 1.00 0.00 C ATOM 50 C SER A 6 -0.627 18.450 22.893 1.00 0.00 C ATOM 51 O SER A 6 -1.734 18.733 22.437 1.00 0.00 O ATOM 52 CB SER A 6 0.096 16.624 24.443 1.00 0.00 C ATOM 53 OG SER A 6 0.602 16.354 25.739 1.00 0.00 O ATOM 0 H SER A 6 -2.555 18.044 24.470 1.00 0.00 H new ATOM 0 HA SER A 6 0.239 18.734 24.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.687 15.907 24.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.888 16.495 23.706 1.00 0.00 H new ATOM 0 HG SER A 6 0.318 17.061 26.355 1.00 0.00 H new ATOM 59 N GLY A 7 0.484 18.474 22.163 1.00 0.00 N ATOM 60 CA GLY A 7 0.442 18.844 20.760 1.00 0.00 C ATOM 61 C GLY A 7 0.961 20.247 20.515 1.00 0.00 C ATOM 62 O GLY A 7 0.356 21.226 20.953 1.00 0.00 O ATOM 0 H GLY A 7 1.412 18.244 22.518 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.035 18.135 20.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.584 18.771 20.399 1.00 0.00 H new ATOM 66 N ARG A 8 2.087 20.346 19.815 1.00 0.00 N ATOM 67 CA ARG A 8 2.689 21.639 19.516 1.00 0.00 C ATOM 68 C ARG A 8 2.386 22.061 18.081 1.00 0.00 C ATOM 69 O ARG A 8 3.262 22.552 17.369 1.00 0.00 O ATOM 70 CB ARG A 8 4.202 21.584 19.733 1.00 0.00 C ATOM 71 CG ARG A 8 4.914 20.604 18.814 1.00 0.00 C ATOM 72 CD ARG A 8 6.248 20.163 19.397 1.00 0.00 C ATOM 73 NE ARG A 8 6.610 18.813 18.973 1.00 0.00 N ATOM 74 CZ ARG A 8 7.790 18.256 19.222 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.717 18.930 19.890 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.045 17.023 18.804 1.00 0.00 N ATOM 0 H ARG A 8 2.600 19.546 19.445 1.00 0.00 H new ATOM 0 HA ARG A 8 2.258 22.377 20.193 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.619 22.580 19.581 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.402 21.309 20.769 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.281 19.732 18.650 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.076 21.068 17.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.027 20.861 19.089 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.198 20.200 20.485 1.00 0.00 H new ATOM 0 HE ARG A 8 5.919 18.268 18.457 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.524 19.878 20.214 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.622 18.500 20.080 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.335 16.501 18.291 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.952 16.597 18.996 1.00 0.00 H new ATOM 90 N ILE A 9 1.140 21.865 17.663 1.00 0.00 N ATOM 91 CA ILE A 9 0.721 22.226 16.314 1.00 0.00 C ATOM 92 C ILE A 9 1.808 21.899 15.296 1.00 0.00 C ATOM 93 O ILE A 9 2.175 22.739 14.474 1.00 0.00 O ATOM 94 CB ILE A 9 0.372 23.722 16.214 1.00 0.00 C ATOM 95 CG1 ILE A 9 -0.450 24.159 17.429 1.00 0.00 C ATOM 96 CG2 ILE A 9 -0.386 24.004 14.926 1.00 0.00 C ATOM 97 CD1 ILE A 9 -0.252 25.612 17.801 1.00 0.00 C ATOM 0 H ILE A 9 0.403 21.458 18.239 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.170 21.639 16.092 1.00 0.00 H new ATOM 0 HB ILE A 9 1.299 24.296 16.200 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.506 23.985 17.224 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.184 23.534 18.282 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.626 25.066 14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.232 23.726 14.072 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.308 23.423 14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.865 25.852 18.670 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.798 25.787 18.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.546 26.245 16.964 1.00 0.00 H new ATOM 109 N ARG A 10 2.319 20.674 15.356 1.00 0.00 N ATOM 110 CA ARG A 10 3.364 20.236 14.438 1.00 0.00 C ATOM 111 C ARG A 10 2.966 18.939 13.740 1.00 0.00 C ATOM 112 O ARG A 10 3.169 17.847 14.271 1.00 0.00 O ATOM 113 CB ARG A 10 4.682 20.039 15.189 1.00 0.00 C ATOM 114 CG ARG A 10 5.518 21.304 15.294 1.00 0.00 C ATOM 115 CD ARG A 10 6.883 21.021 15.901 1.00 0.00 C ATOM 116 NE ARG A 10 7.789 20.396 14.941 1.00 0.00 N ATOM 117 CZ ARG A 10 9.105 20.329 15.109 1.00 0.00 C ATOM 118 NH1 ARG A 10 9.666 20.847 16.193 1.00 0.00 N ATOM 119 NH2 ARG A 10 9.863 19.743 14.191 1.00 0.00 N ATOM 0 H ARG A 10 2.027 19.967 16.031 1.00 0.00 H new ATOM 0 HA ARG A 10 3.496 21.010 13.682 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.467 19.671 16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.266 19.269 14.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.643 21.742 14.304 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.993 22.039 15.904 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.321 21.953 16.259 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.767 20.370 16.767 1.00 0.00 H new ATOM 0 HE ARG A 10 7.389 19.989 14.095 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.087 21.299 16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.677 20.794 16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.435 19.344 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.873 19.692 14.321 1.00 0.00 H new ATOM 133 N LYS A 11 2.397 19.067 12.546 1.00 0.00 N ATOM 134 CA LYS A 11 1.970 17.906 11.773 1.00 0.00 C ATOM 135 C LYS A 11 1.717 18.285 10.317 1.00 0.00 C ATOM 136 O LYS A 11 0.873 19.131 10.025 1.00 0.00 O ATOM 137 CB LYS A 11 0.703 17.301 12.381 1.00 0.00 C ATOM 138 CG LYS A 11 0.073 16.218 11.521 1.00 0.00 C ATOM 139 CD LYS A 11 -1.399 16.033 11.848 1.00 0.00 C ATOM 140 CE LYS A 11 -1.969 14.796 11.171 1.00 0.00 C ATOM 141 NZ LYS A 11 -3.192 14.300 11.861 1.00 0.00 N ATOM 0 H LYS A 11 2.221 19.963 12.092 1.00 0.00 H new ATOM 0 HA LYS A 11 2.770 17.166 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.943 16.883 13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.027 18.094 12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.183 16.478 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.602 15.277 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.525 15.949 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.957 16.913 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.206 15.027 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.215 14.009 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.550 13.456 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.960 14.055 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.921 15.042 11.851 1.00 0.00 H new ATOM 155 N GLU A 12 2.454 17.652 9.409 1.00 0.00 N ATOM 156 CA GLU A 12 2.307 17.924 7.984 1.00 0.00 C ATOM 157 C GLU A 12 2.762 16.728 7.152 1.00 0.00 C ATOM 158 O GLU A 12 3.862 16.202 7.325 1.00 0.00 O ATOM 159 CB GLU A 12 3.112 19.166 7.593 1.00 0.00 C ATOM 160 CG GLU A 12 2.407 20.473 7.915 1.00 0.00 C ATOM 161 CD GLU A 12 2.861 21.614 7.026 1.00 0.00 C ATOM 162 OE1 GLU A 12 4.013 22.069 7.185 1.00 0.00 O ATOM 163 OE2 GLU A 12 2.064 22.052 6.170 1.00 0.00 O ATOM 0 H GLU A 12 3.157 16.949 9.635 1.00 0.00 H new ATOM 0 HA GLU A 12 1.251 18.105 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.072 19.144 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.323 19.130 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.331 20.338 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.591 20.734 8.957 1.00 0.00 H new ATOM 170 N PRO A 13 1.896 16.286 6.229 1.00 0.00 N ATOM 171 CA PRO A 13 2.185 15.147 5.352 1.00 0.00 C ATOM 172 C PRO A 13 3.267 15.466 4.326 1.00 0.00 C ATOM 173 O PRO A 13 3.642 16.621 4.122 1.00 0.00 O ATOM 174 CB PRO A 13 0.847 14.887 4.655 1.00 0.00 C ATOM 175 CG PRO A 13 0.141 16.198 4.690 1.00 0.00 C ATOM 176 CD PRO A 13 0.566 16.864 5.969 1.00 0.00 C ATOM 0 HA PRO A 13 2.565 14.290 5.909 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.994 14.544 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.275 14.115 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.407 16.807 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.940 16.060 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.613 17.948 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.129 16.654 6.782 1.00 0.00 H new ATOM 184 N PRO A 14 3.783 14.420 3.664 1.00 0.00 N ATOM 185 CA PRO A 14 4.829 14.564 2.647 1.00 0.00 C ATOM 186 C PRO A 14 4.316 15.238 1.379 1.00 0.00 C ATOM 187 O PRO A 14 3.144 15.606 1.290 1.00 0.00 O ATOM 188 CB PRO A 14 5.240 13.119 2.355 1.00 0.00 C ATOM 189 CG PRO A 14 4.043 12.305 2.707 1.00 0.00 C ATOM 190 CD PRO A 14 3.384 13.015 3.857 1.00 0.00 C ATOM 0 HA PRO A 14 5.649 15.194 2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.513 12.989 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.106 12.826 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.364 12.222 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.329 11.291 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.301 12.898 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.726 12.628 4.817 1.00 0.00 H new ATOM 198 N VAL A 15 5.200 15.398 0.400 1.00 0.00 N ATOM 199 CA VAL A 15 4.836 16.027 -0.864 1.00 0.00 C ATOM 200 C VAL A 15 3.485 15.523 -1.360 1.00 0.00 C ATOM 201 O VAL A 15 2.689 16.286 -1.906 1.00 0.00 O ATOM 202 CB VAL A 15 5.899 15.765 -1.948 1.00 0.00 C ATOM 203 CG1 VAL A 15 6.097 14.271 -2.151 1.00 0.00 C ATOM 204 CG2 VAL A 15 5.506 16.442 -3.252 1.00 0.00 C ATOM 0 H VAL A 15 6.174 15.101 0.458 1.00 0.00 H new ATOM 0 HA VAL A 15 4.774 17.099 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 15 6.846 16.190 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.851 14.105 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.426 13.817 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.156 13.818 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.268 16.247 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.548 16.048 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.420 17.517 -3.092 1.00 0.00 H new ATOM 214 N TYR A 16 3.233 14.234 -1.165 1.00 0.00 N ATOM 215 CA TYR A 16 1.979 13.626 -1.593 1.00 0.00 C ATOM 216 C TYR A 16 0.803 14.188 -0.801 1.00 0.00 C ATOM 217 O TYR A 16 0.982 14.771 0.268 1.00 0.00 O ATOM 218 CB TYR A 16 2.041 12.107 -1.428 1.00 0.00 C ATOM 219 CG TYR A 16 3.380 11.511 -1.799 1.00 0.00 C ATOM 220 CD1 TYR A 16 4.421 11.466 -0.880 1.00 0.00 C ATOM 221 CD2 TYR A 16 3.605 10.994 -3.069 1.00 0.00 C ATOM 222 CE1 TYR A 16 5.647 10.924 -1.215 1.00 0.00 C ATOM 223 CE2 TYR A 16 4.826 10.448 -3.412 1.00 0.00 C ATOM 224 CZ TYR A 16 5.844 10.415 -2.482 1.00 0.00 C ATOM 225 OH TYR A 16 7.063 9.874 -2.820 1.00 0.00 O ATOM 0 H TYR A 16 3.881 13.589 -0.713 1.00 0.00 H new ATOM 0 HA TYR A 16 1.831 13.864 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.814 11.853 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.267 11.651 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.269 11.862 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.811 11.020 -3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.446 10.899 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.983 10.049 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 16 6.964 8.910 -2.967 1.00 0.00 H new ATOM 235 N ALA A 17 -0.401 14.008 -1.334 1.00 0.00 N ATOM 236 CA ALA A 17 -1.608 14.494 -0.677 1.00 0.00 C ATOM 237 C ALA A 17 -1.890 13.712 0.601 1.00 0.00 C ATOM 238 O ALA A 17 -1.403 12.595 0.777 1.00 0.00 O ATOM 239 CB ALA A 17 -2.796 14.407 -1.624 1.00 0.00 C ATOM 0 H ALA A 17 -0.566 13.529 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.449 15.538 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.691 14.773 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.602 15.015 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.947 13.370 -1.924 1.00 0.00 H new ATOM 245 N ALA A 18 -2.678 14.306 1.492 1.00 0.00 N ATOM 246 CA ALA A 18 -3.025 13.664 2.753 1.00 0.00 C ATOM 247 C ALA A 18 -4.221 12.733 2.585 1.00 0.00 C ATOM 248 O ALA A 18 -5.356 13.103 2.885 1.00 0.00 O ATOM 249 CB ALA A 18 -3.316 14.712 3.817 1.00 0.00 C ATOM 0 H ALA A 18 -3.088 15.231 1.363 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.173 13.064 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.574 14.218 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.433 15.334 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.150 15.336 3.495 1.00 0.00 H new ATOM 255 N GLY A 19 -3.960 11.522 2.101 1.00 0.00 N ATOM 256 CA GLY A 19 -5.025 10.558 1.900 1.00 0.00 C ATOM 257 C GLY A 19 -5.402 10.406 0.440 1.00 0.00 C ATOM 258 O GLY A 19 -6.576 10.499 0.081 1.00 0.00 O ATOM 0 H GLY A 19 -3.030 11.192 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.714 9.591 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.902 10.867 2.468 1.00 0.00 H new ATOM 262 N SER A 20 -4.403 10.173 -0.406 1.00 0.00 N ATOM 263 CA SER A 20 -4.635 10.013 -1.837 1.00 0.00 C ATOM 264 C SER A 20 -4.040 8.702 -2.341 1.00 0.00 C ATOM 265 O SER A 20 -3.240 8.065 -1.654 1.00 0.00 O ATOM 266 CB SER A 20 -4.032 11.189 -2.607 1.00 0.00 C ATOM 267 OG SER A 20 -4.948 12.267 -2.692 1.00 0.00 O ATOM 0 H SER A 20 -3.426 10.091 -0.125 1.00 0.00 H new ATOM 0 HA SER A 20 -5.712 9.991 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.119 11.522 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.752 10.866 -3.610 1.00 0.00 H new ATOM 0 HG SER A 20 -4.605 12.939 -3.317 1.00 0.00 H new ATOM 273 N LEU A 21 -4.436 8.304 -3.545 1.00 0.00 N ATOM 274 CA LEU A 21 -3.943 7.068 -4.143 1.00 0.00 C ATOM 275 C LEU A 21 -2.434 7.130 -4.356 1.00 0.00 C ATOM 276 O LEU A 21 -1.726 6.149 -4.136 1.00 0.00 O ATOM 277 CB LEU A 21 -4.648 6.806 -5.475 1.00 0.00 C ATOM 278 CG LEU A 21 -6.107 6.357 -5.386 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.799 6.520 -6.730 1.00 0.00 C ATOM 280 CD2 LEU A 21 -6.193 4.914 -4.911 1.00 0.00 C ATOM 0 H LEU A 21 -5.097 8.819 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.161 6.249 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.605 7.718 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.087 6.044 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.618 6.989 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.836 6.195 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.769 7.568 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.288 5.914 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.239 4.612 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.666 4.268 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.736 4.828 -3.925 1.00 0.00 H new ATOM 292 N GLU A 22 -1.950 8.292 -4.784 1.00 0.00 N ATOM 293 CA GLU A 22 -0.525 8.482 -5.026 1.00 0.00 C ATOM 294 C GLU A 22 0.308 7.726 -3.994 1.00 0.00 C ATOM 295 O GLU A 22 1.113 6.864 -4.343 1.00 0.00 O ATOM 296 CB GLU A 22 -0.173 9.971 -4.989 1.00 0.00 C ATOM 297 CG GLU A 22 -0.754 10.762 -6.149 1.00 0.00 C ATOM 298 CD GLU A 22 -0.671 12.261 -5.933 1.00 0.00 C ATOM 299 OE1 GLU A 22 -1.541 12.806 -5.221 1.00 0.00 O ATOM 300 OE2 GLU A 22 0.263 12.888 -6.474 1.00 0.00 O ATOM 0 H GLU A 22 -2.523 9.115 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.295 8.085 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.533 10.398 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.912 10.080 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.223 10.501 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.796 10.477 -6.293 1.00 0.00 H new ATOM 307 N GLU A 23 0.107 8.058 -2.723 1.00 0.00 N ATOM 308 CA GLU A 23 0.840 7.411 -1.640 1.00 0.00 C ATOM 309 C GLU A 23 0.867 5.897 -1.830 1.00 0.00 C ATOM 310 O GLU A 23 1.935 5.289 -1.889 1.00 0.00 O ATOM 311 CB GLU A 23 0.208 7.755 -0.290 1.00 0.00 C ATOM 312 CG GLU A 23 1.036 7.305 0.902 1.00 0.00 C ATOM 313 CD GLU A 23 2.113 8.304 1.275 1.00 0.00 C ATOM 314 OE1 GLU A 23 2.515 9.099 0.401 1.00 0.00 O ATOM 315 OE2 GLU A 23 2.555 8.290 2.444 1.00 0.00 O ATOM 0 H GLU A 23 -0.556 8.770 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 23 1.865 7.781 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.059 8.833 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.778 7.294 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.379 7.148 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.499 6.345 0.676 1.00 0.00 H new ATOM 322 N GLN A 24 -0.315 5.297 -1.925 1.00 0.00 N ATOM 323 CA GLN A 24 -0.427 3.855 -2.107 1.00 0.00 C ATOM 324 C GLN A 24 0.467 3.379 -3.247 1.00 0.00 C ATOM 325 O GLN A 24 1.404 2.609 -3.034 1.00 0.00 O ATOM 326 CB GLN A 24 -1.880 3.466 -2.386 1.00 0.00 C ATOM 327 CG GLN A 24 -2.825 3.781 -1.238 1.00 0.00 C ATOM 328 CD GLN A 24 -4.279 3.546 -1.597 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.668 2.438 -1.968 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.092 4.591 -1.490 1.00 0.00 N ATOM 0 H GLN A 24 -1.208 5.787 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.099 3.372 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.222 3.987 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.927 2.399 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.563 3.165 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.692 4.821 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.727 5.491 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.081 4.493 -1.719 1.00 0.00 H new ATOM 339 N TRP A 25 0.171 3.842 -4.456 1.00 0.00 N ATOM 340 CA TRP A 25 0.949 3.463 -5.631 1.00 0.00 C ATOM 341 C TRP A 25 2.444 3.576 -5.354 1.00 0.00 C ATOM 342 O TRP A 25 3.213 2.666 -5.664 1.00 0.00 O ATOM 343 CB TRP A 25 0.570 4.342 -6.824 1.00 0.00 C ATOM 344 CG TRP A 25 -0.880 4.253 -7.191 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.759 3.274 -6.825 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.618 5.177 -7.998 1.00 0.00 C ATOM 347 NE1 TRP A 25 -3.000 3.534 -7.356 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.940 4.696 -8.078 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.292 6.365 -8.658 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.931 5.362 -8.794 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.278 7.025 -9.367 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.584 6.523 -9.430 1.00 0.00 C ATOM 0 H TRP A 25 -0.601 4.480 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 25 0.721 2.424 -5.868 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.816 5.379 -6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.174 4.054 -7.685 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.515 2.421 -6.209 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.831 2.955 -7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.288 6.760 -8.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.938 4.976 -8.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.037 7.944 -9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.332 7.063 -9.992 1.00 0.00 H new ATOM 363 N TYR A 26 2.849 4.698 -4.769 1.00 0.00 N ATOM 364 CA TYR A 26 4.253 4.931 -4.452 1.00 0.00 C ATOM 365 C TYR A 26 4.831 3.768 -3.650 1.00 0.00 C ATOM 366 O TYR A 26 5.889 3.233 -3.983 1.00 0.00 O ATOM 367 CB TYR A 26 4.412 6.234 -3.668 1.00 0.00 C ATOM 368 CG TYR A 26 5.832 6.507 -3.228 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.823 6.805 -4.156 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.184 6.467 -1.884 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.122 7.054 -3.758 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.481 6.716 -1.478 1.00 0.00 C ATOM 373 CZ TYR A 26 8.446 7.009 -2.418 1.00 0.00 C ATOM 374 OH TYR A 26 9.739 7.257 -2.018 1.00 0.00 O ATOM 0 H TYR A 26 2.225 5.460 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 26 4.802 5.010 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.066 7.064 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.768 6.200 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.573 6.842 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.431 6.237 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.880 7.283 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.738 6.681 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 26 9.799 7.187 -1.042 1.00 0.00 H new ATOM 384 N LEU A 27 4.128 3.382 -2.591 1.00 0.00 N ATOM 385 CA LEU A 27 4.569 2.283 -1.740 1.00 0.00 C ATOM 386 C LEU A 27 4.883 1.043 -2.571 1.00 0.00 C ATOM 387 O LEU A 27 5.966 0.470 -2.461 1.00 0.00 O ATOM 388 CB LEU A 27 3.495 1.955 -0.700 1.00 0.00 C ATOM 389 CG LEU A 27 3.061 3.110 0.203 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.740 2.787 0.884 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.135 3.412 1.237 1.00 0.00 C ATOM 0 H LEU A 27 3.250 3.814 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 27 5.479 2.595 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.615 1.578 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.863 1.146 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 27 2.921 3.996 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.447 3.620 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.972 2.621 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.853 1.888 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.808 4.237 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.307 2.528 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.060 3.688 0.731 1.00 0.00 H new ATOM 403 N GLU A 28 3.929 0.636 -3.402 1.00 0.00 N ATOM 404 CA GLU A 28 4.106 -0.535 -4.253 1.00 0.00 C ATOM 405 C GLU A 28 5.449 -0.484 -4.976 1.00 0.00 C ATOM 406 O GLU A 28 5.967 -1.510 -5.417 1.00 0.00 O ATOM 407 CB GLU A 28 2.968 -0.629 -5.272 1.00 0.00 C ATOM 408 CG GLU A 28 2.832 -2.003 -5.907 1.00 0.00 C ATOM 409 CD GLU A 28 2.041 -2.968 -5.046 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.001 -2.766 -3.814 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.463 -3.924 -5.603 1.00 0.00 O ATOM 0 H GLU A 28 3.026 1.099 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 28 4.089 -1.421 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.030 -0.370 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.132 0.110 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.345 -1.904 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.825 -2.415 -6.089 1.00 0.00 H new ATOM 418 N ILE A 29 6.005 0.717 -5.095 1.00 0.00 N ATOM 419 CA ILE A 29 7.287 0.902 -5.764 1.00 0.00 C ATOM 420 C ILE A 29 8.441 0.838 -4.769 1.00 0.00 C ATOM 421 O ILE A 29 9.433 0.145 -4.996 1.00 0.00 O ATOM 422 CB ILE A 29 7.343 2.247 -6.511 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.127 2.397 -7.428 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.633 2.356 -7.310 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.910 3.812 -7.917 1.00 0.00 C ATOM 0 H ILE A 29 5.588 1.576 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 29 7.386 0.091 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 29 7.324 3.054 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.247 1.738 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.236 2.065 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.658 3.312 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.486 2.289 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.681 1.545 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.032 3.844 -8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.758 4.473 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.784 4.141 -8.479 1.00 0.00 H new ATOM 437 N VAL A 30 8.303 1.563 -3.663 1.00 0.00 N ATOM 438 CA VAL A 30 9.332 1.586 -2.631 1.00 0.00 C ATOM 439 C VAL A 30 9.469 0.224 -1.960 1.00 0.00 C ATOM 440 O VAL A 30 10.456 -0.047 -1.277 1.00 0.00 O ATOM 441 CB VAL A 30 9.025 2.646 -1.556 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.485 3.915 -2.197 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.044 2.097 -0.531 1.00 0.00 C ATOM 0 H VAL A 30 7.488 2.142 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 30 10.270 1.840 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 30 9.952 2.894 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.274 4.652 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.226 4.317 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.568 3.686 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.839 2.859 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.115 1.819 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.474 1.219 -0.049 1.00 0.00 H new ATOM 453 N ASP A 31 8.472 -0.631 -2.161 1.00 0.00 N ATOM 454 CA ASP A 31 8.481 -1.967 -1.577 1.00 0.00 C ATOM 455 C ASP A 31 8.935 -3.004 -2.600 1.00 0.00 C ATOM 456 O ASP A 31 9.825 -3.810 -2.330 1.00 0.00 O ATOM 457 CB ASP A 31 7.091 -2.327 -1.050 1.00 0.00 C ATOM 458 CG ASP A 31 7.147 -3.268 0.136 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.812 -4.319 0.029 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.524 -2.955 1.173 1.00 0.00 O ATOM 0 H ASP A 31 7.647 -0.422 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 31 9.187 -1.968 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.568 -1.415 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.511 -2.789 -1.849 1.00 0.00 H new ATOM 465 N LYS A 32 8.315 -2.978 -3.775 1.00 0.00 N ATOM 466 CA LYS A 32 8.654 -3.915 -4.840 1.00 0.00 C ATOM 467 C LYS A 32 9.622 -3.282 -5.834 1.00 0.00 C ATOM 468 O LYS A 32 10.603 -3.902 -6.242 1.00 0.00 O ATOM 469 CB LYS A 32 7.388 -4.375 -5.566 1.00 0.00 C ATOM 470 CG LYS A 32 6.234 -4.697 -4.631 1.00 0.00 C ATOM 471 CD LYS A 32 6.489 -5.976 -3.852 1.00 0.00 C ATOM 472 CE LYS A 32 7.179 -5.693 -2.527 1.00 0.00 C ATOM 473 NZ LYS A 32 7.427 -6.941 -1.752 1.00 0.00 N ATOM 0 H LYS A 32 7.575 -2.318 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 32 9.140 -4.780 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.075 -3.596 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.621 -5.259 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.086 -3.870 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.314 -4.798 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.544 -6.487 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.105 -6.649 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.126 -5.186 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.565 -5.014 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.899 -6.705 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.521 -7.412 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.034 -7.578 -2.305 1.00 0.00 H new ATOM 487 N GLY A 33 9.339 -2.041 -6.220 1.00 0.00 N ATOM 488 CA GLY A 33 10.194 -1.344 -7.163 1.00 0.00 C ATOM 489 C GLY A 33 9.410 -0.695 -8.287 1.00 0.00 C ATOM 490 O GLY A 33 9.940 0.139 -9.020 1.00 0.00 O ATOM 0 H GLY A 33 8.533 -1.506 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.765 -0.581 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.913 -2.046 -7.584 1.00 0.00 H new ATOM 494 N SER A 34 8.146 -1.080 -8.423 1.00 0.00 N ATOM 495 CA SER A 34 7.289 -0.534 -9.470 1.00 0.00 C ATOM 496 C SER A 34 5.818 -0.643 -9.080 1.00 0.00 C ATOM 497 O SER A 34 5.469 -1.323 -8.115 1.00 0.00 O ATOM 498 CB SER A 34 7.533 -1.266 -10.791 1.00 0.00 C ATOM 499 OG SER A 34 6.911 -2.539 -10.793 1.00 0.00 O ATOM 0 H SER A 34 7.692 -1.768 -7.822 1.00 0.00 H new ATOM 0 HA SER A 34 7.537 0.520 -9.595 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.148 -0.669 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.605 -1.382 -10.953 1.00 0.00 H new ATOM 0 HG SER A 34 7.081 -2.985 -11.649 1.00 0.00 H new ATOM 505 N VAL A 35 4.960 0.032 -9.838 1.00 0.00 N ATOM 506 CA VAL A 35 3.526 0.011 -9.573 1.00 0.00 C ATOM 507 C VAL A 35 2.761 -0.599 -10.742 1.00 0.00 C ATOM 508 O VAL A 35 3.160 -0.462 -11.898 1.00 0.00 O ATOM 509 CB VAL A 35 2.985 1.428 -9.303 1.00 0.00 C ATOM 510 CG1 VAL A 35 3.163 2.311 -10.529 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.523 1.369 -8.886 1.00 0.00 C ATOM 0 H VAL A 35 5.233 0.600 -10.640 1.00 0.00 H new ATOM 0 HA VAL A 35 3.376 -0.603 -8.685 1.00 0.00 H new ATOM 0 HB VAL A 35 3.556 1.866 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.775 3.308 -10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.222 2.379 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.620 1.880 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.157 2.379 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.936 0.912 -9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.428 0.775 -7.977 1.00 0.00 H new ATOM 521 N SER A 36 1.658 -1.273 -10.432 1.00 0.00 N ATOM 522 CA SER A 36 0.837 -1.908 -11.456 1.00 0.00 C ATOM 523 C SER A 36 -0.417 -1.084 -11.735 1.00 0.00 C ATOM 524 O SER A 36 -0.798 -0.223 -10.942 1.00 0.00 O ATOM 525 CB SER A 36 0.446 -3.322 -11.023 1.00 0.00 C ATOM 526 OG SER A 36 -0.407 -3.930 -11.977 1.00 0.00 O ATOM 0 H SER A 36 1.312 -1.393 -9.480 1.00 0.00 H new ATOM 0 HA SER A 36 1.424 -1.966 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.343 -3.928 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.054 -3.284 -10.055 1.00 0.00 H new ATOM 0 HG SER A 36 -0.641 -4.833 -11.678 1.00 0.00 H new ATOM 532 N CYS A 37 -1.055 -1.355 -12.869 1.00 0.00 N ATOM 533 CA CYS A 37 -2.265 -0.641 -13.256 1.00 0.00 C ATOM 534 C CYS A 37 -3.456 -1.093 -12.415 1.00 0.00 C ATOM 535 O CYS A 37 -3.927 -2.226 -12.520 1.00 0.00 O ATOM 536 CB CYS A 37 -2.561 -0.862 -14.740 1.00 0.00 C ATOM 537 SG CYS A 37 -4.013 0.053 -15.353 1.00 0.00 S ATOM 0 H CYS A 37 -0.753 -2.065 -13.536 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.101 0.422 -13.080 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.687 -0.568 -15.322 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.716 -1.927 -14.914 1.00 0.00 H new ATOM 542 N PRO A 38 -3.955 -0.188 -11.561 1.00 0.00 N ATOM 543 CA PRO A 38 -5.097 -0.471 -10.686 1.00 0.00 C ATOM 544 C PRO A 38 -6.403 -0.603 -11.463 1.00 0.00 C ATOM 545 O PRO A 38 -7.449 -0.912 -10.891 1.00 0.00 O ATOM 546 CB PRO A 38 -5.146 0.748 -9.762 1.00 0.00 C ATOM 547 CG PRO A 38 -4.501 1.841 -10.541 1.00 0.00 C ATOM 548 CD PRO A 38 -3.444 1.181 -11.383 1.00 0.00 C ATOM 0 HA PRO A 38 -4.982 -1.418 -10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.172 1.003 -9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.614 0.559 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.230 2.358 -11.165 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.062 2.587 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.316 1.690 -12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.474 1.186 -10.887 1.00 0.00 H new ATOM 556 N THR A 39 -6.336 -0.368 -12.769 1.00 0.00 N ATOM 557 CA THR A 39 -7.513 -0.460 -13.624 1.00 0.00 C ATOM 558 C THR A 39 -7.619 -1.839 -14.266 1.00 0.00 C ATOM 559 O THR A 39 -8.660 -2.492 -14.188 1.00 0.00 O ATOM 560 CB THR A 39 -7.487 0.609 -14.733 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.252 1.901 -14.162 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.799 0.621 -15.503 1.00 0.00 C ATOM 0 H THR A 39 -5.478 -0.112 -13.258 1.00 0.00 H new ATOM 0 HA THR A 39 -8.381 -0.291 -12.987 1.00 0.00 H new ATOM 0 HB THR A 39 -6.680 0.365 -15.424 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.235 2.575 -14.873 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.757 1.384 -16.281 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.962 -0.355 -15.960 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.619 0.843 -14.821 1.00 0.00 H new ATOM 570 N CYS A 40 -6.537 -2.277 -14.899 1.00 0.00 N ATOM 571 CA CYS A 40 -6.508 -3.579 -15.555 1.00 0.00 C ATOM 572 C CYS A 40 -5.561 -4.531 -14.831 1.00 0.00 C ATOM 573 O CYS A 40 -5.730 -5.749 -14.884 1.00 0.00 O ATOM 574 CB CYS A 40 -6.079 -3.428 -17.016 1.00 0.00 C ATOM 575 SG CYS A 40 -4.326 -2.982 -17.234 1.00 0.00 S ATOM 0 H CYS A 40 -5.667 -1.749 -14.972 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.514 -3.998 -15.520 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.272 -4.365 -17.539 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.698 -2.666 -17.488 1.00 0.00 H new ATOM 580 N GLN A 41 -4.565 -3.967 -14.156 1.00 0.00 N ATOM 581 CA GLN A 41 -3.591 -4.766 -13.422 1.00 0.00 C ATOM 582 C GLN A 41 -2.872 -5.738 -14.352 1.00 0.00 C ATOM 583 O GLN A 41 -2.608 -6.883 -13.986 1.00 0.00 O ATOM 584 CB GLN A 41 -4.278 -5.536 -12.293 1.00 0.00 C ATOM 585 CG GLN A 41 -4.951 -4.639 -11.267 1.00 0.00 C ATOM 586 CD GLN A 41 -5.382 -5.395 -10.025 1.00 0.00 C ATOM 587 OE1 GLN A 41 -5.826 -6.540 -10.104 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.253 -4.755 -8.868 1.00 0.00 N ATOM 0 H GLN A 41 -4.411 -2.960 -14.102 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.853 -4.088 -12.993 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.023 -6.206 -12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.540 -6.161 -11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.265 -3.841 -10.982 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.822 -4.165 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.880 -3.806 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.527 -5.213 -7.999 1.00 0.00 H new ATOM 597 N ALA A 42 -2.559 -5.274 -15.557 1.00 0.00 N ATOM 598 CA ALA A 42 -1.870 -6.101 -16.540 1.00 0.00 C ATOM 599 C ALA A 42 -0.433 -5.631 -16.743 1.00 0.00 C ATOM 600 O ALA A 42 0.486 -6.441 -16.853 1.00 0.00 O ATOM 601 CB ALA A 42 -2.623 -6.089 -17.862 1.00 0.00 C ATOM 0 H ALA A 42 -2.772 -4.329 -15.876 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.840 -7.123 -16.161 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.097 -6.711 -18.586 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.629 -6.480 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.683 -5.067 -18.237 1.00 0.00 H new ATOM 607 N VAL A 43 -0.248 -4.315 -16.791 1.00 0.00 N ATOM 608 CA VAL A 43 1.077 -3.737 -16.981 1.00 0.00 C ATOM 609 C VAL A 43 1.340 -2.624 -15.972 1.00 0.00 C ATOM 610 O VAL A 43 0.444 -1.851 -15.637 1.00 0.00 O ATOM 611 CB VAL A 43 1.246 -3.174 -18.405 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.148 -4.289 -19.434 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.209 -2.094 -18.676 1.00 0.00 C ATOM 0 H VAL A 43 -0.998 -3.630 -16.701 1.00 0.00 H new ATOM 0 HA VAL A 43 1.798 -4.541 -16.829 1.00 0.00 H new ATOM 0 HB VAL A 43 2.236 -2.724 -18.485 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.270 -3.873 -20.434 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.931 -5.024 -19.249 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.173 -4.770 -19.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.342 -1.707 -19.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.791 -2.517 -18.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.332 -1.283 -17.958 1.00 0.00 H new ATOM 623 N GLY A 44 2.578 -2.549 -15.491 1.00 0.00 N ATOM 624 CA GLY A 44 2.938 -1.527 -14.526 1.00 0.00 C ATOM 625 C GLY A 44 3.966 -0.554 -15.067 1.00 0.00 C ATOM 626 O GLY A 44 4.354 -0.635 -16.233 1.00 0.00 O ATOM 0 H GLY A 44 3.337 -3.178 -15.753 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.043 -0.979 -14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.330 -2.003 -13.627 1.00 0.00 H new ATOM 630 N ARG A 45 4.408 0.370 -14.220 1.00 0.00 N ATOM 631 CA ARG A 45 5.395 1.365 -14.621 1.00 0.00 C ATOM 632 C ARG A 45 6.406 1.609 -13.505 1.00 0.00 C ATOM 633 O ARG A 45 6.075 1.520 -12.322 1.00 0.00 O ATOM 634 CB ARG A 45 4.704 2.678 -14.995 1.00 0.00 C ATOM 635 CG ARG A 45 3.948 2.615 -16.311 1.00 0.00 C ATOM 636 CD ARG A 45 4.834 3.010 -17.482 1.00 0.00 C ATOM 637 NE ARG A 45 5.625 1.885 -17.974 1.00 0.00 N ATOM 638 CZ ARG A 45 6.442 1.962 -19.018 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.577 3.105 -19.676 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.129 0.894 -19.405 1.00 0.00 N ATOM 0 H ARG A 45 4.098 0.450 -13.252 1.00 0.00 H new ATOM 0 HA ARG A 45 5.927 0.982 -15.492 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.011 2.953 -14.200 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.452 3.469 -15.053 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.568 1.605 -16.465 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.084 3.278 -16.267 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.215 3.399 -18.290 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.501 3.816 -17.176 1.00 0.00 H new ATOM 0 HE ARG A 45 5.545 0.991 -17.489 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.053 3.928 -19.381 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.205 3.161 -20.478 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.030 0.013 -18.900 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.756 0.954 -20.207 1.00 0.00 H new ATOM 654 N LYS A 46 7.640 1.916 -13.888 1.00 0.00 N ATOM 655 CA LYS A 46 8.701 2.174 -12.921 1.00 0.00 C ATOM 656 C LYS A 46 8.180 3.003 -11.752 1.00 0.00 C ATOM 657 O LYS A 46 8.289 2.600 -10.593 1.00 0.00 O ATOM 658 CB LYS A 46 9.868 2.898 -13.595 1.00 0.00 C ATOM 659 CG LYS A 46 10.848 1.963 -14.283 1.00 0.00 C ATOM 660 CD LYS A 46 12.041 2.720 -14.843 1.00 0.00 C ATOM 661 CE LYS A 46 12.604 2.036 -16.079 1.00 0.00 C ATOM 662 NZ LYS A 46 13.659 1.044 -15.732 1.00 0.00 N ATOM 0 H LYS A 46 7.931 1.992 -14.863 1.00 0.00 H new ATOM 0 HA LYS A 46 9.050 1.216 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.473 3.601 -14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.402 3.484 -12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.193 1.211 -13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.341 1.432 -15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.743 3.738 -15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.817 2.794 -14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.798 1.536 -16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.018 2.786 -16.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.017 0.600 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.440 1.525 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.258 0.313 -15.110 1.00 0.00 H new ATOM 676 N THR A 47 7.614 4.165 -12.062 1.00 0.00 N ATOM 677 CA THR A 47 7.076 5.051 -11.037 1.00 0.00 C ATOM 678 C THR A 47 5.661 5.499 -11.384 1.00 0.00 C ATOM 679 O THR A 47 5.173 5.245 -12.486 1.00 0.00 O ATOM 680 CB THR A 47 7.965 6.296 -10.848 1.00 0.00 C ATOM 681 OG1 THR A 47 8.545 6.678 -12.100 1.00 0.00 O ATOM 682 CG2 THR A 47 9.067 6.025 -9.835 1.00 0.00 C ATOM 0 H THR A 47 7.516 4.515 -13.015 1.00 0.00 H new ATOM 0 HA THR A 47 7.056 4.483 -10.107 1.00 0.00 H new ATOM 0 HB THR A 47 7.341 7.108 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.107 7.471 -11.972 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.681 6.918 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.622 5.762 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.688 5.200 -10.185 1.00 0.00 H new ATOM 690 N ILE A 48 5.009 6.167 -10.439 1.00 0.00 N ATOM 691 CA ILE A 48 3.650 6.652 -10.647 1.00 0.00 C ATOM 692 C ILE A 48 3.537 7.426 -11.956 1.00 0.00 C ATOM 693 O ILE A 48 2.693 7.120 -12.798 1.00 0.00 O ATOM 694 CB ILE A 48 3.191 7.556 -9.488 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.321 6.818 -8.154 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.757 8.014 -9.709 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.892 7.644 -6.962 1.00 0.00 C ATOM 0 H ILE A 48 5.399 6.385 -9.522 1.00 0.00 H new ATOM 0 HA ILE A 48 3.005 5.774 -10.690 1.00 0.00 H new ATOM 0 HB ILE A 48 3.832 8.437 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.721 5.909 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.358 6.510 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.447 8.652 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.694 8.574 -10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.101 7.145 -9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.011 7.057 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.509 8.540 -6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.846 7.930 -7.075 1.00 0.00 H new ATOM 709 N GLU A 49 4.393 8.430 -12.120 1.00 0.00 N ATOM 710 CA GLU A 49 4.389 9.247 -13.328 1.00 0.00 C ATOM 711 C GLU A 49 4.090 8.397 -14.559 1.00 0.00 C ATOM 712 O GLU A 49 3.218 8.730 -15.360 1.00 0.00 O ATOM 713 CB GLU A 49 5.736 9.953 -13.497 1.00 0.00 C ATOM 714 CG GLU A 49 6.105 10.848 -12.326 1.00 0.00 C ATOM 715 CD GLU A 49 7.518 11.388 -12.427 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.458 10.573 -12.534 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.685 12.625 -12.399 1.00 0.00 O ATOM 0 H GLU A 49 5.097 8.697 -11.432 1.00 0.00 H new ATOM 0 HA GLU A 49 3.604 9.996 -13.226 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.516 9.203 -13.630 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.711 10.552 -14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.404 11.681 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.000 10.287 -11.397 1.00 0.00 H new ATOM 724 N GLY A 50 4.822 7.296 -14.703 1.00 0.00 N ATOM 725 CA GLY A 50 4.621 6.415 -15.839 1.00 0.00 C ATOM 726 C GLY A 50 3.251 5.766 -15.835 1.00 0.00 C ATOM 727 O GLY A 50 2.600 5.668 -16.875 1.00 0.00 O ATOM 0 H GLY A 50 5.550 6.999 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.748 6.982 -16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.387 5.639 -15.833 1.00 0.00 H new ATOM 731 N LEU A 51 2.813 5.321 -14.662 1.00 0.00 N ATOM 732 CA LEU A 51 1.511 4.677 -14.527 1.00 0.00 C ATOM 733 C LEU A 51 0.388 5.632 -14.915 1.00 0.00 C ATOM 734 O LEU A 51 -0.473 5.298 -15.730 1.00 0.00 O ATOM 735 CB LEU A 51 1.309 4.189 -13.092 1.00 0.00 C ATOM 736 CG LEU A 51 -0.119 3.793 -12.712 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.412 2.367 -13.152 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.334 3.945 -11.214 1.00 0.00 C ATOM 0 H LEU A 51 3.340 5.394 -13.792 1.00 0.00 H new ATOM 0 HA LEU A 51 1.484 3.822 -15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.959 3.330 -12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.640 4.974 -12.412 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.810 4.460 -13.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.432 2.103 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.300 2.290 -14.233 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.285 1.685 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.355 3.659 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.365 3.302 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.166 4.983 -10.926 1.00 0.00 H new ATOM 750 N LYS A 52 0.402 6.824 -14.327 1.00 0.00 N ATOM 751 CA LYS A 52 -0.613 7.831 -14.612 1.00 0.00 C ATOM 752 C LYS A 52 -0.910 7.896 -16.107 1.00 0.00 C ATOM 753 O LYS A 52 -2.069 7.933 -16.520 1.00 0.00 O ATOM 754 CB LYS A 52 -0.155 9.203 -14.112 1.00 0.00 C ATOM 755 CG LYS A 52 -0.537 9.482 -12.669 1.00 0.00 C ATOM 756 CD LYS A 52 -0.341 10.947 -12.314 1.00 0.00 C ATOM 757 CE LYS A 52 -0.418 11.171 -10.812 1.00 0.00 C ATOM 758 NZ LYS A 52 -0.092 12.577 -10.444 1.00 0.00 N ATOM 0 H LYS A 52 1.106 7.116 -13.649 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.527 7.548 -14.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.928 9.274 -14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.586 9.975 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.578 9.203 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.066 8.862 -12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.626 11.286 -12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.102 11.548 -12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.420 10.926 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.272 10.494 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.155 12.689 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.873 12.803 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.766 13.222 -10.905 1.00 0.00 H new ATOM 772 N LYS A 53 0.145 7.907 -16.915 1.00 0.00 N ATOM 773 CA LYS A 53 -0.001 7.964 -18.365 1.00 0.00 C ATOM 774 C LYS A 53 -0.683 6.706 -18.893 1.00 0.00 C ATOM 775 O LYS A 53 -1.398 6.749 -19.895 1.00 0.00 O ATOM 776 CB LYS A 53 1.367 8.134 -19.030 1.00 0.00 C ATOM 777 CG LYS A 53 1.957 9.523 -18.861 1.00 0.00 C ATOM 778 CD LYS A 53 1.410 10.491 -19.896 1.00 0.00 C ATOM 779 CE LYS A 53 1.945 11.899 -19.682 1.00 0.00 C ATOM 780 NZ LYS A 53 1.366 12.867 -20.654 1.00 0.00 N ATOM 0 H LYS A 53 1.111 7.877 -16.590 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.625 8.824 -18.609 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.058 7.402 -18.613 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.274 7.915 -20.094 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.734 9.895 -17.861 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.042 9.471 -18.948 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.678 10.147 -20.895 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.321 10.503 -19.845 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.717 12.224 -18.667 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.031 11.893 -19.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.756 13.814 -20.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.605 12.572 -21.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.332 12.892 -20.545 1.00 0.00 H new ATOM 794 N HIS A 54 -0.458 5.587 -18.212 1.00 0.00 N ATOM 795 CA HIS A 54 -1.052 4.316 -18.613 1.00 0.00 C ATOM 796 C HIS A 54 -2.530 4.264 -18.234 1.00 0.00 C ATOM 797 O HIS A 54 -3.382 3.951 -19.065 1.00 0.00 O ATOM 798 CB HIS A 54 -0.306 3.152 -17.961 1.00 0.00 C ATOM 799 CG HIS A 54 -0.891 1.811 -18.281 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.746 1.201 -19.509 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.624 0.961 -17.524 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.367 0.034 -19.495 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.907 -0.135 -18.301 1.00 0.00 N ATOM 0 H HIS A 54 0.131 5.534 -17.381 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.969 4.230 -19.696 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.735 3.172 -18.284 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.307 3.291 -16.880 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.929 1.116 -16.500 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.423 -0.662 -20.319 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.447 -0.948 -18.004 1.00 0.00 H new ATOM 811 N MET A 55 -2.824 4.573 -16.975 1.00 0.00 N ATOM 812 CA MET A 55 -4.198 4.562 -16.488 1.00 0.00 C ATOM 813 C MET A 55 -5.017 5.670 -17.143 1.00 0.00 C ATOM 814 O MET A 55 -6.232 5.548 -17.296 1.00 0.00 O ATOM 815 CB MET A 55 -4.224 4.724 -14.967 1.00 0.00 C ATOM 816 CG MET A 55 -3.712 6.074 -14.491 1.00 0.00 C ATOM 817 SD MET A 55 -3.231 6.061 -12.753 1.00 0.00 S ATOM 818 CE MET A 55 -4.521 5.035 -12.052 1.00 0.00 C ATOM 0 H MET A 55 -2.130 4.834 -16.275 1.00 0.00 H new ATOM 0 HA MET A 55 -4.642 3.602 -16.752 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.246 4.586 -14.613 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.621 3.936 -14.515 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.856 6.368 -15.099 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.486 6.826 -14.644 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.083 4.334 -11.341 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.248 5.665 -11.539 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.018 4.481 -12.848 1.00 0.00 H new ATOM 828 N GLU A 56 -4.342 6.749 -17.527 1.00 0.00 N ATOM 829 CA GLU A 56 -5.009 7.879 -18.164 1.00 0.00 C ATOM 830 C GLU A 56 -5.717 7.442 -19.444 1.00 0.00 C ATOM 831 O GLU A 56 -6.818 7.901 -19.744 1.00 0.00 O ATOM 832 CB GLU A 56 -3.999 8.984 -18.479 1.00 0.00 C ATOM 833 CG GLU A 56 -3.831 9.993 -17.356 1.00 0.00 C ATOM 834 CD GLU A 56 -4.829 11.132 -17.441 1.00 0.00 C ATOM 835 OE1 GLU A 56 -5.982 10.944 -16.999 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.457 12.210 -17.949 1.00 0.00 O ATOM 0 H GLU A 56 -3.336 6.865 -17.408 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.755 8.266 -17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.032 8.530 -18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.315 9.507 -19.382 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.944 9.486 -16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.820 10.398 -17.385 1.00 0.00 H new ATOM 843 N ASN A 57 -5.075 6.551 -20.193 1.00 0.00 N ATOM 844 CA ASN A 57 -5.642 6.052 -21.441 1.00 0.00 C ATOM 845 C ASN A 57 -6.195 4.641 -21.261 1.00 0.00 C ATOM 846 O ASN A 57 -6.757 4.060 -22.190 1.00 0.00 O ATOM 847 CB ASN A 57 -4.584 6.060 -22.545 1.00 0.00 C ATOM 848 CG ASN A 57 -3.987 7.437 -22.764 1.00 0.00 C ATOM 849 OD1 ASN A 57 -4.706 8.405 -23.013 1.00 0.00 O ATOM 850 ND2 ASN A 57 -2.666 7.531 -22.672 1.00 0.00 N ATOM 0 H ASN A 57 -4.163 6.160 -19.958 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.462 6.711 -21.728 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.790 5.359 -22.288 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.031 5.709 -23.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.208 8.432 -22.810 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.109 6.702 -22.464 1.00 0.00 H new ATOM 857 N CYS A 58 -6.033 4.096 -20.060 1.00 0.00 N ATOM 858 CA CYS A 58 -6.515 2.754 -19.757 1.00 0.00 C ATOM 859 C CYS A 58 -7.653 2.801 -18.742 1.00 0.00 C ATOM 860 O CYS A 58 -7.954 1.806 -18.083 1.00 0.00 O ATOM 861 CB CYS A 58 -5.373 1.889 -19.220 1.00 0.00 C ATOM 862 SG CYS A 58 -5.838 0.156 -18.907 1.00 0.00 S ATOM 0 H CYS A 58 -5.571 4.564 -19.280 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.893 2.313 -20.680 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.549 1.910 -19.933 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.004 2.328 -18.293 1.00 0.00 H new ATOM 867 N LYS A 59 -8.283 3.965 -18.621 1.00 0.00 N ATOM 868 CA LYS A 59 -9.389 4.144 -17.688 1.00 0.00 C ATOM 869 C LYS A 59 -10.562 3.241 -18.056 1.00 0.00 C ATOM 870 O LYS A 59 -10.544 2.577 -19.092 1.00 0.00 O ATOM 871 CB LYS A 59 -9.841 5.606 -17.676 1.00 0.00 C ATOM 872 CG LYS A 59 -10.651 6.002 -18.898 1.00 0.00 C ATOM 873 CD LYS A 59 -9.781 6.662 -19.954 1.00 0.00 C ATOM 874 CE LYS A 59 -9.742 8.172 -19.781 1.00 0.00 C ATOM 875 NZ LYS A 59 -11.004 8.816 -20.242 1.00 0.00 N ATOM 0 H LYS A 59 -8.046 4.799 -19.158 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.040 3.870 -16.692 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.437 5.786 -16.781 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.963 6.248 -17.609 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.130 5.118 -19.320 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.447 6.685 -18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.769 6.262 -19.895 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.163 6.418 -20.945 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.574 8.413 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.900 8.580 -20.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.873 9.847 -20.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.250 8.460 -21.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.771 8.592 -19.577 1.00 0.00 H new ATOM 889 N GLN A 60 -11.579 3.222 -17.201 1.00 0.00 N ATOM 890 CA GLN A 60 -12.760 2.401 -17.437 1.00 0.00 C ATOM 891 C GLN A 60 -13.968 3.269 -17.774 1.00 0.00 C ATOM 892 O GLN A 60 -14.146 4.347 -17.209 1.00 0.00 O ATOM 893 CB GLN A 60 -13.063 1.540 -16.209 1.00 0.00 C ATOM 894 CG GLN A 60 -13.319 2.348 -14.948 1.00 0.00 C ATOM 895 CD GLN A 60 -12.039 2.833 -14.295 1.00 0.00 C ATOM 896 OE1 GLN A 60 -11.784 4.035 -14.220 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.226 1.897 -13.818 1.00 0.00 N ATOM 0 H GLN A 60 -11.609 3.766 -16.339 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.555 1.750 -18.287 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.935 0.920 -16.417 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.226 0.864 -16.034 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.946 3.206 -15.192 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.876 1.738 -14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.477 0.912 -13.902 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.350 2.163 -13.368 1.00 0.00 H new ATOM 906 N GLU A 61 -14.795 2.790 -18.699 1.00 0.00 N ATOM 907 CA GLU A 61 -15.985 3.524 -19.112 1.00 0.00 C ATOM 908 C GLU A 61 -16.784 3.992 -17.898 1.00 0.00 C ATOM 909 O GLU A 61 -16.939 3.258 -16.924 1.00 0.00 O ATOM 910 CB GLU A 61 -16.865 2.651 -20.009 1.00 0.00 C ATOM 911 CG GLU A 61 -18.065 3.383 -20.584 1.00 0.00 C ATOM 912 CD GLU A 61 -19.011 2.460 -21.326 1.00 0.00 C ATOM 913 OE1 GLU A 61 -18.534 1.463 -21.908 1.00 0.00 O ATOM 914 OE2 GLU A 61 -20.230 2.735 -21.326 1.00 0.00 O ATOM 0 H GLU A 61 -14.662 1.898 -19.176 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.663 4.401 -19.674 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.261 2.262 -20.829 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.215 1.792 -19.436 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.605 3.878 -19.777 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.719 4.164 -21.262 1.00 0.00 H new ATOM 921 N MET A 62 -17.288 5.220 -17.967 1.00 0.00 N ATOM 922 CA MET A 62 -18.071 5.786 -16.875 1.00 0.00 C ATOM 923 C MET A 62 -19.476 6.149 -17.344 1.00 0.00 C ATOM 924 O MET A 62 -19.760 6.150 -18.542 1.00 0.00 O ATOM 925 CB MET A 62 -17.374 7.025 -16.308 1.00 0.00 C ATOM 926 CG MET A 62 -16.131 6.705 -15.494 1.00 0.00 C ATOM 927 SD MET A 62 -15.405 8.168 -14.730 1.00 0.00 S ATOM 928 CE MET A 62 -16.285 8.207 -13.170 1.00 0.00 C ATOM 0 H MET A 62 -17.168 5.841 -18.767 1.00 0.00 H new ATOM 0 HA MET A 62 -18.152 5.033 -16.091 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.099 7.685 -17.131 1.00 0.00 H new ATOM 0 HB3 MET A 62 -18.078 7.572 -15.681 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.386 5.983 -14.718 1.00 0.00 H new ATOM 0 HG3 MET A 62 -15.391 6.232 -16.139 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.945 9.060 -12.582 1.00 0.00 H new ATOM 0 HE2 MET A 62 -17.355 8.299 -13.358 1.00 0.00 H new ATOM 0 HE3 MET A 62 -16.091 7.286 -12.620 1.00 0.00 H new ATOM 938 N PHE A 63 -20.352 6.456 -16.393 1.00 0.00 N ATOM 939 CA PHE A 63 -21.728 6.819 -16.710 1.00 0.00 C ATOM 940 C PHE A 63 -22.088 8.171 -16.100 1.00 0.00 C ATOM 941 O PHE A 63 -21.280 8.788 -15.406 1.00 0.00 O ATOM 942 CB PHE A 63 -22.691 5.745 -16.201 1.00 0.00 C ATOM 943 CG PHE A 63 -22.193 4.344 -16.414 1.00 0.00 C ATOM 944 CD1 PHE A 63 -22.490 3.658 -17.581 1.00 0.00 C ATOM 945 CD2 PHE A 63 -21.428 3.712 -15.447 1.00 0.00 C ATOM 946 CE1 PHE A 63 -22.032 2.369 -17.781 1.00 0.00 C ATOM 947 CE2 PHE A 63 -20.968 2.423 -15.641 1.00 0.00 C ATOM 948 CZ PHE A 63 -21.271 1.751 -16.808 1.00 0.00 C ATOM 0 H PHE A 63 -20.133 6.461 -15.397 1.00 0.00 H new ATOM 0 HA PHE A 63 -21.817 6.893 -17.794 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -22.868 5.901 -15.137 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -23.651 5.861 -16.704 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -23.087 4.136 -18.344 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -21.188 4.232 -14.531 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -22.269 1.846 -18.696 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -20.372 1.942 -14.880 1.00 0.00 H new ATOM 0 HZ PHE A 63 -20.914 0.743 -16.960 1.00 0.00 H new ATOM 958 N THR A 64 -23.309 8.626 -16.364 1.00 0.00 N ATOM 959 CA THR A 64 -23.777 9.905 -15.844 1.00 0.00 C ATOM 960 C THR A 64 -25.299 9.990 -15.882 1.00 0.00 C ATOM 961 O THR A 64 -25.908 9.937 -16.951 1.00 0.00 O ATOM 962 CB THR A 64 -23.189 11.085 -16.640 1.00 0.00 C ATOM 963 OG1 THR A 64 -21.761 10.985 -16.680 1.00 0.00 O ATOM 964 CG2 THR A 64 -23.592 12.413 -16.018 1.00 0.00 C ATOM 0 H THR A 64 -23.992 8.128 -16.935 1.00 0.00 H new ATOM 0 HA THR A 64 -23.437 9.969 -14.810 1.00 0.00 H new ATOM 0 HB THR A 64 -23.585 11.043 -17.655 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.455 10.380 -15.972 1.00 0.00 H new ATOM 0 HG21 THR A 64 -23.165 13.231 -16.598 1.00 0.00 H new ATOM 0 HG22 THR A 64 -24.679 12.499 -16.016 1.00 0.00 H new ATOM 0 HG23 THR A 64 -23.222 12.462 -14.994 1.00 0.00 H new ATOM 972 N CYS A 65 -25.908 10.123 -14.709 1.00 0.00 N ATOM 973 CA CYS A 65 -27.360 10.216 -14.607 1.00 0.00 C ATOM 974 C CYS A 65 -27.883 11.425 -15.377 1.00 0.00 C ATOM 975 O CYS A 65 -27.134 12.355 -15.677 1.00 0.00 O ATOM 976 CB CYS A 65 -27.784 10.308 -13.140 1.00 0.00 C ATOM 977 SG CYS A 65 -29.395 11.120 -12.881 1.00 0.00 S ATOM 0 H CYS A 65 -25.419 10.169 -13.815 1.00 0.00 H new ATOM 0 HA CYS A 65 -27.789 9.315 -15.046 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -27.824 9.303 -12.721 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -27.021 10.854 -12.586 1.00 0.00 H new ATOM 982 N HIS A 66 -29.174 11.405 -15.693 1.00 0.00 N ATOM 983 CA HIS A 66 -29.798 12.500 -16.427 1.00 0.00 C ATOM 984 C HIS A 66 -30.560 13.423 -15.481 1.00 0.00 C ATOM 985 O HIS A 66 -30.536 14.645 -15.635 1.00 0.00 O ATOM 986 CB HIS A 66 -30.744 11.952 -17.495 1.00 0.00 C ATOM 987 CG HIS A 66 -30.100 10.959 -18.413 1.00 0.00 C ATOM 988 ND1 HIS A 66 -30.722 9.800 -18.824 1.00 0.00 N ATOM 989 CD2 HIS A 66 -28.881 10.959 -19.002 1.00 0.00 C ATOM 990 CE1 HIS A 66 -29.913 9.128 -19.625 1.00 0.00 C ATOM 991 NE2 HIS A 66 -28.789 9.811 -19.749 1.00 0.00 N ATOM 0 H HIS A 66 -29.808 10.643 -15.452 1.00 0.00 H new ATOM 0 HA HIS A 66 -29.010 13.076 -16.912 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -31.597 11.482 -17.006 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -31.132 12.782 -18.085 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -28.122 11.721 -18.903 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -30.133 8.182 -20.097 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -27.984 9.531 -20.309 1.00 0.00 H new ATOM 999 N HIS A 67 -31.237 12.831 -14.502 1.00 0.00 N ATOM 1000 CA HIS A 67 -32.007 13.601 -13.531 1.00 0.00 C ATOM 1001 C HIS A 67 -31.130 14.645 -12.847 1.00 0.00 C ATOM 1002 O HIS A 67 -31.252 15.842 -13.110 1.00 0.00 O ATOM 1003 CB HIS A 67 -32.623 12.671 -12.485 1.00 0.00 C ATOM 1004 CG HIS A 67 -33.772 11.862 -13.004 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -35.064 12.011 -12.547 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -33.817 10.893 -13.948 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -35.855 11.168 -13.187 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -35.122 10.478 -14.043 1.00 0.00 N ATOM 0 H HIS A 67 -31.268 11.821 -14.360 1.00 0.00 H new ATOM 0 HA HIS A 67 -32.806 14.116 -14.064 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -31.853 11.996 -12.113 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -32.962 13.266 -11.637 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -32.982 10.517 -14.520 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -36.919 11.061 -13.036 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -35.470 9.754 -14.672 1.00 0.00 H new ATOM 1016 N CYS A 68 -30.247 14.185 -11.968 1.00 0.00 N ATOM 1017 CA CYS A 68 -29.350 15.079 -11.245 1.00 0.00 C ATOM 1018 C CYS A 68 -28.062 15.310 -12.031 1.00 0.00 C ATOM 1019 O CYS A 68 -27.618 16.445 -12.195 1.00 0.00 O ATOM 1020 CB CYS A 68 -29.023 14.502 -9.866 1.00 0.00 C ATOM 1021 SG CYS A 68 -28.189 12.883 -9.917 1.00 0.00 S ATOM 0 H CYS A 68 -30.133 13.198 -11.739 1.00 0.00 H new ATOM 0 HA CYS A 68 -29.855 16.037 -11.120 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -28.390 15.208 -9.329 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -29.947 14.405 -9.296 1.00 0.00 H new ATOM 1026 N GLY A 69 -27.468 14.223 -12.515 1.00 0.00 N ATOM 1027 CA GLY A 69 -26.238 14.328 -13.278 1.00 0.00 C ATOM 1028 C GLY A 69 -25.026 13.876 -12.488 1.00 0.00 C ATOM 1029 O GLY A 69 -23.961 14.489 -12.566 1.00 0.00 O ATOM 0 H GLY A 69 -27.817 13.272 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -26.323 13.727 -14.183 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -26.097 15.362 -13.594 1.00 0.00 H new ATOM 1033 N LYS A 70 -25.187 12.802 -11.723 1.00 0.00 N ATOM 1034 CA LYS A 70 -24.098 12.267 -10.915 1.00 0.00 C ATOM 1035 C LYS A 70 -23.139 11.444 -11.769 1.00 0.00 C ATOM 1036 O LYS A 70 -23.478 11.035 -12.879 1.00 0.00 O ATOM 1037 CB LYS A 70 -24.654 11.405 -9.779 1.00 0.00 C ATOM 1038 CG LYS A 70 -23.804 11.435 -8.521 1.00 0.00 C ATOM 1039 CD LYS A 70 -24.224 10.355 -7.538 1.00 0.00 C ATOM 1040 CE LYS A 70 -23.585 10.563 -6.174 1.00 0.00 C ATOM 1041 NZ LYS A 70 -24.065 9.566 -5.178 1.00 0.00 N ATOM 0 H LYS A 70 -26.062 12.284 -11.646 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.548 13.107 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -25.661 11.745 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.740 10.375 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.755 11.299 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.889 12.413 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -25.309 10.356 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.942 9.377 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.501 10.491 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.809 11.569 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.606 9.742 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -25.096 9.651 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.829 8.607 -5.505 1.00 0.00 H new ATOM 1055 N GLN A 71 -21.942 11.204 -11.244 1.00 0.00 N ATOM 1056 CA GLN A 71 -20.935 10.429 -11.959 1.00 0.00 C ATOM 1057 C GLN A 71 -20.281 9.404 -11.038 1.00 0.00 C ATOM 1058 O GLN A 71 -19.428 9.746 -10.218 1.00 0.00 O ATOM 1059 CB GLN A 71 -19.871 11.356 -12.548 1.00 0.00 C ATOM 1060 CG GLN A 71 -20.308 12.051 -13.827 1.00 0.00 C ATOM 1061 CD GLN A 71 -19.138 12.462 -14.698 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -18.324 13.300 -14.309 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -19.046 11.872 -15.885 1.00 0.00 N ATOM 0 H GLN A 71 -21.646 11.535 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 71 -21.431 9.896 -12.770 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.608 12.110 -11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.969 10.778 -12.749 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -20.961 11.386 -14.392 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.895 12.934 -13.574 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.743 11.183 -16.167 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.278 12.108 -16.514 1.00 0.00 H new ATOM 1072 N LEU A 72 -20.687 8.147 -11.178 1.00 0.00 N ATOM 1073 CA LEU A 72 -20.140 7.071 -10.358 1.00 0.00 C ATOM 1074 C LEU A 72 -19.374 6.069 -11.215 1.00 0.00 C ATOM 1075 O LEU A 72 -19.783 5.752 -12.332 1.00 0.00 O ATOM 1076 CB LEU A 72 -21.263 6.360 -9.601 1.00 0.00 C ATOM 1077 CG LEU A 72 -21.774 7.061 -8.343 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -23.087 6.447 -7.885 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -20.734 6.991 -7.234 1.00 0.00 C ATOM 0 H LEU A 72 -21.393 7.848 -11.851 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.447 7.510 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -22.103 6.223 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.913 5.366 -9.322 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.952 8.110 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.435 6.959 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -23.832 6.550 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.937 5.390 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -21.115 7.495 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -20.524 5.948 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.817 7.480 -7.564 1.00 0.00 H new ATOM 1091 N ARG A 73 -18.262 5.572 -10.684 1.00 0.00 N ATOM 1092 CA ARG A 73 -17.439 4.604 -11.399 1.00 0.00 C ATOM 1093 C ARG A 73 -18.170 3.273 -11.548 1.00 0.00 C ATOM 1094 O ARG A 73 -17.900 2.505 -12.470 1.00 0.00 O ATOM 1095 CB ARG A 73 -16.112 4.391 -10.668 1.00 0.00 C ATOM 1096 CG ARG A 73 -16.277 3.933 -9.228 1.00 0.00 C ATOM 1097 CD ARG A 73 -14.958 3.456 -8.641 1.00 0.00 C ATOM 1098 NE ARG A 73 -15.154 2.444 -7.606 1.00 0.00 N ATOM 1099 CZ ARG A 73 -15.527 2.727 -6.363 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -15.744 3.984 -6.002 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -15.685 1.751 -5.478 1.00 0.00 N ATOM 0 H ARG A 73 -17.910 5.824 -9.760 1.00 0.00 H new ATOM 0 HA ARG A 73 -17.238 5.001 -12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.523 3.652 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.546 5.322 -10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.669 4.753 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.009 3.127 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.335 3.046 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.420 4.306 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.996 1.467 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.625 4.737 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.030 4.198 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.520 0.782 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.971 1.969 -4.524 1.00 0.00 H new ATOM 1115 N SER A 74 -19.096 3.007 -10.632 1.00 0.00 N ATOM 1116 CA SER A 74 -19.863 1.768 -10.658 1.00 0.00 C ATOM 1117 C SER A 74 -21.288 2.020 -11.144 1.00 0.00 C ATOM 1118 O SER A 74 -21.839 3.104 -10.951 1.00 0.00 O ATOM 1119 CB SER A 74 -19.891 1.131 -9.267 1.00 0.00 C ATOM 1120 OG SER A 74 -20.588 -0.103 -9.285 1.00 0.00 O ATOM 0 H SER A 74 -19.333 3.633 -9.863 1.00 0.00 H new ATOM 0 HA SER A 74 -19.377 1.084 -11.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.871 0.971 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.368 1.811 -8.562 1.00 0.00 H new ATOM 0 HG SER A 74 -20.590 -0.491 -8.385 1.00 0.00 H new ATOM 1126 N LEU A 75 -21.878 1.011 -11.774 1.00 0.00 N ATOM 1127 CA LEU A 75 -23.239 1.122 -12.288 1.00 0.00 C ATOM 1128 C LEU A 75 -24.260 0.825 -11.194 1.00 0.00 C ATOM 1129 O LEU A 75 -25.215 1.577 -11.004 1.00 0.00 O ATOM 1130 CB LEU A 75 -23.441 0.163 -13.463 1.00 0.00 C ATOM 1131 CG LEU A 75 -24.619 0.473 -14.387 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -24.420 1.815 -15.075 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -24.795 -0.634 -15.416 1.00 0.00 C ATOM 0 H LEU A 75 -21.436 0.107 -11.941 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.389 2.145 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -22.529 0.155 -14.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -23.571 -0.844 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 75 -25.525 0.528 -13.783 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -25.268 2.018 -15.728 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -24.344 2.601 -14.324 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -23.505 1.788 -15.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -25.638 -0.397 -16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.889 -0.721 -16.015 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -24.985 -1.578 -14.906 1.00 0.00 H new ATOM 1145 N ALA A 76 -24.049 -0.274 -10.477 1.00 0.00 N ATOM 1146 CA ALA A 76 -24.948 -0.667 -9.400 1.00 0.00 C ATOM 1147 C ALA A 76 -25.196 0.493 -8.441 1.00 0.00 C ATOM 1148 O ALA A 76 -26.329 0.943 -8.275 1.00 0.00 O ATOM 1149 CB ALA A 76 -24.381 -1.863 -8.649 1.00 0.00 C ATOM 0 H ALA A 76 -23.263 -0.908 -10.623 1.00 0.00 H new ATOM 0 HA ALA A 76 -25.903 -0.949 -9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -25.063 -2.146 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -24.261 -2.701 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -23.412 -1.600 -8.225 1.00 0.00 H new ATOM 1155 N GLY A 77 -24.128 0.973 -7.811 1.00 0.00 N ATOM 1156 CA GLY A 77 -24.252 2.076 -6.876 1.00 0.00 C ATOM 1157 C GLY A 77 -25.088 3.213 -7.428 1.00 0.00 C ATOM 1158 O GLY A 77 -25.945 3.757 -6.732 1.00 0.00 O ATOM 0 H GLY A 77 -23.179 0.618 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -24.701 1.715 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.259 2.448 -6.624 1.00 0.00 H new ATOM 1162 N MET A 78 -24.837 3.575 -8.682 1.00 0.00 N ATOM 1163 CA MET A 78 -25.574 4.656 -9.327 1.00 0.00 C ATOM 1164 C MET A 78 -27.048 4.295 -9.477 1.00 0.00 C ATOM 1165 O MET A 78 -27.918 4.939 -8.889 1.00 0.00 O ATOM 1166 CB MET A 78 -24.970 4.965 -10.698 1.00 0.00 C ATOM 1167 CG MET A 78 -25.961 5.582 -11.673 1.00 0.00 C ATOM 1168 SD MET A 78 -25.232 5.912 -13.289 1.00 0.00 S ATOM 1169 CE MET A 78 -24.127 7.264 -12.892 1.00 0.00 C ATOM 0 H MET A 78 -24.130 3.136 -9.271 1.00 0.00 H new ATOM 0 HA MET A 78 -25.498 5.542 -8.696 1.00 0.00 H new ATOM 0 HB2 MET A 78 -24.127 5.645 -10.570 1.00 0.00 H new ATOM 0 HB3 MET A 78 -24.575 4.045 -11.128 1.00 0.00 H new ATOM 0 HG2 MET A 78 -26.812 4.912 -11.793 1.00 0.00 H new ATOM 0 HG3 MET A 78 -26.345 6.513 -11.255 1.00 0.00 H new ATOM 0 HE1 MET A 78 -24.003 7.902 -13.767 1.00 0.00 H new ATOM 0 HE2 MET A 78 -24.547 7.849 -12.074 1.00 0.00 H new ATOM 0 HE3 MET A 78 -23.157 6.866 -12.593 1.00 0.00 H new ATOM 1179 N LYS A 79 -27.323 3.263 -10.267 1.00 0.00 N ATOM 1180 CA LYS A 79 -28.692 2.816 -10.494 1.00 0.00 C ATOM 1181 C LYS A 79 -29.510 2.894 -9.208 1.00 0.00 C ATOM 1182 O LYS A 79 -30.733 3.033 -9.246 1.00 0.00 O ATOM 1183 CB LYS A 79 -28.700 1.383 -11.030 1.00 0.00 C ATOM 1184 CG LYS A 79 -28.118 1.253 -12.427 1.00 0.00 C ATOM 1185 CD LYS A 79 -28.397 -0.117 -13.022 1.00 0.00 C ATOM 1186 CE LYS A 79 -27.674 -1.215 -12.256 1.00 0.00 C ATOM 1187 NZ LYS A 79 -28.448 -1.664 -11.067 1.00 0.00 N ATOM 0 H LYS A 79 -26.615 2.720 -10.761 1.00 0.00 H new ATOM 0 HA LYS A 79 -29.146 3.476 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -28.135 0.746 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -29.725 1.012 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -28.541 2.024 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -27.042 1.423 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -29.470 -0.309 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -28.083 -0.132 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -27.499 -2.064 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -26.697 -0.852 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -27.948 -1.381 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -29.391 -1.226 -11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -28.547 -2.699 -11.088 1.00 0.00 H new ATOM 1201 N TYR A 80 -28.827 2.804 -8.072 1.00 0.00 N ATOM 1202 CA TYR A 80 -29.491 2.863 -6.775 1.00 0.00 C ATOM 1203 C TYR A 80 -29.747 4.309 -6.360 1.00 0.00 C ATOM 1204 O TYR A 80 -30.801 4.632 -5.811 1.00 0.00 O ATOM 1205 CB TYR A 80 -28.646 2.158 -5.714 1.00 0.00 C ATOM 1206 CG TYR A 80 -29.442 1.697 -4.514 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -30.467 0.769 -4.651 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -29.169 2.189 -3.243 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -31.198 0.345 -3.557 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -29.894 1.770 -2.144 1.00 0.00 C ATOM 1211 CZ TYR A 80 -30.907 0.848 -2.306 1.00 0.00 C ATOM 1212 OH TYR A 80 -31.632 0.429 -1.214 1.00 0.00 O ATOM 0 H TYR A 80 -27.815 2.690 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 80 -30.451 2.354 -6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -28.155 1.297 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -27.859 2.834 -5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -30.697 0.372 -5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -28.377 2.911 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -31.992 -0.376 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -29.669 2.162 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 80 -31.300 0.878 -0.409 1.00 0.00 H new ATOM 1222 N HIS A 81 -28.775 5.175 -6.626 1.00 0.00 N ATOM 1223 CA HIS A 81 -28.893 6.587 -6.281 1.00 0.00 C ATOM 1224 C HIS A 81 -30.173 7.182 -6.861 1.00 0.00 C ATOM 1225 O HIS A 81 -30.700 8.169 -6.347 1.00 0.00 O ATOM 1226 CB HIS A 81 -27.679 7.363 -6.793 1.00 0.00 C ATOM 1227 CG HIS A 81 -27.873 7.946 -8.159 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -26.981 7.754 -9.193 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -28.865 8.720 -8.658 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -27.415 8.386 -10.269 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -28.557 8.980 -9.971 1.00 0.00 N ATOM 0 H HIS A 81 -27.897 4.924 -7.079 1.00 0.00 H new ATOM 0 HA HIS A 81 -28.934 6.668 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -27.450 8.167 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -26.815 6.699 -6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -29.736 9.068 -8.123 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -26.920 8.413 -11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -29.119 9.541 -10.612 1.00 0.00 H new ATOM 1239 N VAL A 82 -30.668 6.576 -7.936 1.00 0.00 N ATOM 1240 CA VAL A 82 -31.885 7.046 -8.586 1.00 0.00 C ATOM 1241 C VAL A 82 -33.117 6.715 -7.750 1.00 0.00 C ATOM 1242 O VAL A 82 -33.847 7.608 -7.323 1.00 0.00 O ATOM 1243 CB VAL A 82 -32.048 6.428 -9.987 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -33.450 6.676 -10.521 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -31.000 6.983 -10.939 1.00 0.00 C ATOM 0 H VAL A 82 -30.244 5.758 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 82 -31.795 8.128 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 82 -31.901 5.351 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -33.546 6.232 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -34.180 6.225 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.630 7.749 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -31.130 6.535 -11.924 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -31.113 8.065 -11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -30.005 6.747 -10.562 1.00 0.00 H new ATOM 1255 N MET A 83 -33.340 5.425 -7.522 1.00 0.00 N ATOM 1256 CA MET A 83 -34.483 4.976 -6.735 1.00 0.00 C ATOM 1257 C MET A 83 -34.396 5.495 -5.303 1.00 0.00 C ATOM 1258 O MET A 83 -35.408 5.616 -4.614 1.00 0.00 O ATOM 1259 CB MET A 83 -34.559 3.448 -6.732 1.00 0.00 C ATOM 1260 CG MET A 83 -34.972 2.857 -8.071 1.00 0.00 C ATOM 1261 SD MET A 83 -33.577 2.632 -9.190 1.00 0.00 S ATOM 1262 CE MET A 83 -32.955 1.044 -8.642 1.00 0.00 C ATOM 0 H MET A 83 -32.745 4.673 -7.870 1.00 0.00 H new ATOM 0 HA MET A 83 -35.387 5.377 -7.193 1.00 0.00 H new ATOM 0 HB2 MET A 83 -33.586 3.045 -6.451 1.00 0.00 H new ATOM 0 HB3 MET A 83 -35.269 3.129 -5.969 1.00 0.00 H new ATOM 0 HG2 MET A 83 -35.458 1.896 -7.905 1.00 0.00 H new ATOM 0 HG3 MET A 83 -35.708 3.510 -8.541 1.00 0.00 H new ATOM 0 HE1 MET A 83 -32.088 0.767 -9.241 1.00 0.00 H new ATOM 0 HE2 MET A 83 -32.666 1.109 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 83 -33.733 0.289 -8.758 1.00 0.00 H new ATOM 1272 N ALA A 84 -33.180 5.800 -4.862 1.00 0.00 N ATOM 1273 CA ALA A 84 -32.961 6.307 -3.514 1.00 0.00 C ATOM 1274 C ALA A 84 -33.113 7.824 -3.466 1.00 0.00 C ATOM 1275 O ALA A 84 -33.983 8.348 -2.773 1.00 0.00 O ATOM 1276 CB ALA A 84 -31.584 5.897 -3.012 1.00 0.00 C ATOM 0 H ALA A 84 -32.331 5.704 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 84 -33.718 5.871 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -31.435 6.283 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -31.510 4.810 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -30.819 6.304 -3.673 1.00 0.00 H new ATOM 1282 N ASN A 85 -32.260 8.523 -4.208 1.00 0.00 N ATOM 1283 CA ASN A 85 -32.298 9.980 -4.249 1.00 0.00 C ATOM 1284 C ASN A 85 -33.608 10.472 -4.857 1.00 0.00 C ATOM 1285 O ASN A 85 -34.384 11.172 -4.205 1.00 0.00 O ATOM 1286 CB ASN A 85 -31.115 10.520 -5.055 1.00 0.00 C ATOM 1287 CG ASN A 85 -29.802 9.872 -4.659 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -28.879 9.771 -5.466 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -29.715 9.428 -3.410 1.00 0.00 N ATOM 0 H ASN A 85 -31.534 8.104 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 85 -32.230 10.349 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -31.295 10.351 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -31.043 11.598 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -28.857 8.982 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -30.506 9.533 -2.775 1.00 0.00 H new ATOM 1296 N HIS A 86 -33.849 10.101 -6.111 1.00 0.00 N ATOM 1297 CA HIS A 86 -35.066 10.503 -6.807 1.00 0.00 C ATOM 1298 C HIS A 86 -36.273 9.734 -6.280 1.00 0.00 C ATOM 1299 O HIS A 86 -37.338 10.308 -6.057 1.00 0.00 O ATOM 1300 CB HIS A 86 -34.917 10.274 -8.312 1.00 0.00 C ATOM 1301 CG HIS A 86 -33.679 10.885 -8.891 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -33.323 12.201 -8.689 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -32.709 10.350 -9.670 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -32.189 12.451 -9.319 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -31.795 11.343 -9.922 1.00 0.00 N ATOM 0 H HIS A 86 -33.218 9.523 -6.665 1.00 0.00 H new ATOM 0 HA HIS A 86 -35.226 11.565 -6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -34.909 9.202 -8.509 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -35.788 10.686 -8.822 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -33.853 12.877 -8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -32.663 9.332 -10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -31.672 13.399 -9.338 1.00 0.00 H new ATOM 1313 N ASN A 87 -36.099 8.431 -6.084 1.00 0.00 N ATOM 1314 CA ASN A 87 -37.175 7.583 -5.584 1.00 0.00 C ATOM 1315 C ASN A 87 -38.511 7.977 -6.205 1.00 0.00 C ATOM 1316 O ASN A 87 -39.554 7.909 -5.554 1.00 0.00 O ATOM 1317 CB ASN A 87 -37.260 7.677 -4.059 1.00 0.00 C ATOM 1318 CG ASN A 87 -37.572 9.083 -3.584 1.00 0.00 C ATOM 1319 OD1 ASN A 87 -38.714 9.536 -3.659 1.00 0.00 O ATOM 1320 ND2 ASN A 87 -36.555 9.780 -3.090 1.00 0.00 N ATOM 0 H ASN A 87 -35.223 7.940 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 87 -36.954 6.554 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -38.030 6.995 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -36.315 7.351 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -36.704 10.731 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -35.625 9.364 -3.047 1.00 0.00 H new ATOM 1327 N SER A 88 -38.472 8.389 -7.468 1.00 0.00 N ATOM 1328 CA SER A 88 -39.679 8.797 -8.177 1.00 0.00 C ATOM 1329 C SER A 88 -40.877 7.962 -7.734 1.00 0.00 C ATOM 1330 O SER A 88 -40.978 6.778 -8.059 1.00 0.00 O ATOM 1331 CB SER A 88 -39.480 8.662 -9.688 1.00 0.00 C ATOM 1332 OG SER A 88 -39.503 7.303 -10.086 1.00 0.00 O ATOM 0 H SER A 88 -37.617 8.449 -8.021 1.00 0.00 H new ATOM 0 HA SER A 88 -39.876 9.842 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 88 -40.263 9.211 -10.211 1.00 0.00 H new ATOM 0 HB3 SER A 88 -38.529 9.112 -9.974 1.00 0.00 H new ATOM 0 HG SER A 88 -39.795 6.747 -9.334 1.00 0.00 H new ATOM 1338 N LEU A 89 -41.784 8.587 -6.991 1.00 0.00 N ATOM 1339 CA LEU A 89 -42.977 7.904 -6.503 1.00 0.00 C ATOM 1340 C LEU A 89 -43.811 7.370 -7.663 1.00 0.00 C ATOM 1341 O LEU A 89 -44.109 8.079 -8.624 1.00 0.00 O ATOM 1342 CB LEU A 89 -43.819 8.853 -5.649 1.00 0.00 C ATOM 1343 CG LEU A 89 -43.404 8.983 -4.183 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -42.097 9.751 -4.064 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -44.500 9.664 -3.376 1.00 0.00 C ATOM 0 H LEU A 89 -41.716 9.566 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 89 -42.658 7.061 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -43.788 9.843 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -44.856 8.518 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 89 -43.252 7.982 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -41.818 9.833 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -41.314 9.223 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -42.221 10.748 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -44.187 9.748 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -44.685 10.659 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -45.414 9.073 -3.433 1.00 0.00 H new ATOM 1357 N PRO A 90 -44.200 6.089 -7.572 1.00 0.00 N ATOM 1358 CA PRO A 90 -45.008 5.432 -8.604 1.00 0.00 C ATOM 1359 C PRO A 90 -46.436 5.965 -8.648 1.00 0.00 C ATOM 1360 O PRO A 90 -46.981 6.218 -9.722 1.00 0.00 O ATOM 1361 CB PRO A 90 -44.998 3.962 -8.179 1.00 0.00 C ATOM 1362 CG PRO A 90 -44.764 3.994 -6.708 1.00 0.00 C ATOM 1363 CD PRO A 90 -43.880 5.184 -6.455 1.00 0.00 C ATOM 0 HA PRO A 90 -44.610 5.603 -9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -45.943 3.474 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -44.213 3.407 -8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -45.705 4.084 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -44.287 3.074 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -44.093 5.645 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -42.826 4.908 -6.451 1.00 0.00 H new ATOM 1371 N SER A 91 -47.037 6.132 -7.474 1.00 0.00 N ATOM 1372 CA SER A 91 -48.403 6.632 -7.379 1.00 0.00 C ATOM 1373 C SER A 91 -48.452 8.134 -7.640 1.00 0.00 C ATOM 1374 O SER A 91 -48.229 8.940 -6.738 1.00 0.00 O ATOM 1375 CB SER A 91 -48.987 6.323 -5.999 1.00 0.00 C ATOM 1376 OG SER A 91 -50.354 6.689 -5.930 1.00 0.00 O ATOM 0 H SER A 91 -46.599 5.928 -6.576 1.00 0.00 H new ATOM 0 HA SER A 91 -49.001 6.130 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 91 -48.881 5.259 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 91 -48.425 6.859 -5.234 1.00 0.00 H new ATOM 0 HG SER A 91 -50.704 6.480 -5.039 1.00 0.00 H new ATOM 1382 N GLY A 92 -48.745 8.503 -8.884 1.00 0.00 N ATOM 1383 CA GLY A 92 -48.818 9.907 -9.243 1.00 0.00 C ATOM 1384 C GLY A 92 -47.885 10.263 -10.383 1.00 0.00 C ATOM 1385 O GLY A 92 -47.154 9.419 -10.902 1.00 0.00 O ATOM 0 H GLY A 92 -48.933 7.855 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -49.842 10.154 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -48.571 10.515 -8.372 1.00 0.00 H new ATOM 1389 N PRO A 93 -47.904 11.540 -10.792 1.00 0.00 N ATOM 1390 CA PRO A 93 -47.059 12.035 -11.883 1.00 0.00 C ATOM 1391 C PRO A 93 -45.583 12.076 -11.501 1.00 0.00 C ATOM 1392 O PRO A 93 -45.223 11.822 -10.352 1.00 0.00 O ATOM 1393 CB PRO A 93 -47.588 13.450 -12.127 1.00 0.00 C ATOM 1394 CG PRO A 93 -48.194 13.857 -10.829 1.00 0.00 C ATOM 1395 CD PRO A 93 -48.750 12.600 -10.219 1.00 0.00 C ATOM 0 HA PRO A 93 -47.107 11.390 -12.760 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -46.786 14.128 -12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -48.325 13.464 -12.930 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -47.449 14.311 -10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -48.979 14.598 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -48.688 12.620 -9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.800 12.459 -10.476 1.00 0.00 H new ATOM 1403 N SER A 94 -44.734 12.398 -12.472 1.00 0.00 N ATOM 1404 CA SER A 94 -43.297 12.470 -12.237 1.00 0.00 C ATOM 1405 C SER A 94 -42.924 13.776 -11.542 1.00 0.00 C ATOM 1406 O SER A 94 -43.610 14.787 -11.688 1.00 0.00 O ATOM 1407 CB SER A 94 -42.537 12.347 -13.559 1.00 0.00 C ATOM 1408 OG SER A 94 -42.795 11.101 -14.182 1.00 0.00 O ATOM 0 H SER A 94 -45.017 12.613 -13.428 1.00 0.00 H new ATOM 0 HA SER A 94 -43.018 11.641 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 94 -42.829 13.158 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 94 -41.467 12.452 -13.378 1.00 0.00 H new ATOM 0 HG SER A 94 -42.299 11.048 -15.026 1.00 0.00 H new ATOM 1414 N SER A 95 -41.832 13.745 -10.785 1.00 0.00 N ATOM 1415 CA SER A 95 -41.368 14.924 -10.064 1.00 0.00 C ATOM 1416 C SER A 95 -40.117 15.504 -10.716 1.00 0.00 C ATOM 1417 O SER A 95 -39.274 14.769 -11.229 1.00 0.00 O ATOM 1418 CB SER A 95 -41.079 14.573 -8.603 1.00 0.00 C ATOM 1419 OG SER A 95 -40.363 15.614 -7.960 1.00 0.00 O ATOM 0 H SER A 95 -41.252 12.916 -10.655 1.00 0.00 H new ATOM 0 HA SER A 95 -42.157 15.675 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A 95 -42.016 14.393 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 95 -40.504 13.648 -8.555 1.00 0.00 H new ATOM 0 HG SER A 95 -40.192 15.366 -7.027 1.00 0.00 H new ATOM 1425 N GLY A 96 -40.004 16.828 -10.693 1.00 0.00 N ATOM 1426 CA GLY A 96 -38.854 17.485 -11.286 1.00 0.00 C ATOM 1427 C GLY A 96 -37.543 17.001 -10.697 1.00 0.00 C ATOM 1428 O GLY A 96 -37.092 17.560 -9.699 1.00 0.00 O ATOM 0 H GLY A 96 -40.688 17.458 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -38.853 17.308 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -38.939 18.562 -11.140 1.00 0.00 H new TER 1432 GLY A 96 HETATM 1433 ZN ZN A 201 -4.078 -0.654 -17.610 1.00 0.00 ZN HETATM 1434 ZN ZN A 401 -29.531 11.079 -10.509 1.00 0.00 ZN