USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 555 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 Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.03 K(o=-2,f=-0.82) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 THR OG1 : rot 64:sc= 0.501 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= -0.525 K(o=-0.53,f=-0.013) USER MOD Single : A 72 CYS SG : rot 114:sc= -2.19 USER MOD Single : A 76 CYS SG : rot -160:sc= -0.951 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0872) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.563 1.092 4.445 1.00 0.00 N ATOM 69 CA ILE A 8 8.344 1.751 4.899 1.00 0.00 C ATOM 70 C ILE A 8 7.381 0.749 5.527 1.00 0.00 C ATOM 71 O ILE A 8 7.185 -0.349 5.007 1.00 0.00 O ATOM 72 CB ILE A 8 7.632 2.475 3.740 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.619 3.357 2.974 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.471 3.306 4.268 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.158 3.706 1.576 1.00 0.00 C ATOM 0 HA ILE A 8 8.640 2.486 5.648 1.00 0.00 H new ATOM 0 HB ILE A 8 7.236 1.726 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.782 4.277 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.580 2.846 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.978 3.811 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.757 2.655 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.846 4.048 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.907 4.333 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.022 2.791 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.212 4.245 1.629 1.00 0.00 H new ATOM 87 N ASP A 9 6.780 1.137 6.647 1.00 0.00 N ATOM 88 CA ASP A 9 5.836 0.274 7.346 1.00 0.00 C ATOM 89 C ASP A 9 4.653 1.077 7.873 1.00 0.00 C ATOM 90 O ASP A 9 4.586 2.293 7.696 1.00 0.00 O ATOM 91 CB ASP A 9 6.533 -0.450 8.501 1.00 0.00 C ATOM 92 CG ASP A 9 5.982 -1.844 8.725 1.00 0.00 C ATOM 93 OD1 ASP A 9 6.504 -2.796 8.107 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.028 -1.985 9.520 1.00 0.00 O ATOM 0 H ASP A 9 6.930 2.044 7.090 1.00 0.00 H new ATOM 0 HA ASP A 9 5.463 -0.465 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.601 -0.513 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.419 0.134 9.414 1.00 0.00 H new ATOM 99 N VAL A 10 3.720 0.389 8.523 1.00 0.00 N ATOM 100 CA VAL A 10 2.539 1.039 9.077 1.00 0.00 C ATOM 101 C VAL A 10 2.925 2.094 10.109 1.00 0.00 C ATOM 102 O VAL A 10 3.697 1.824 11.029 1.00 0.00 O ATOM 103 CB VAL A 10 1.590 0.018 9.733 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.290 0.687 10.151 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.322 -1.143 8.789 1.00 0.00 C ATOM 0 H VAL A 10 3.759 -0.618 8.679 1.00 0.00 H new ATOM 0 HA VAL A 10 2.024 1.519 8.245 1.00 0.00 H new ATOM 0 HB VAL A 10 2.072 -0.375 10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.367 -0.051 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.503 1.481 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.199 1.111 9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.650 -1.854 9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.862 -0.769 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.262 -1.639 8.546 1.00 0.00 H new ATOM 115 N GLY A 11 2.384 3.297 9.949 1.00 0.00 N ATOM 116 CA GLY A 11 2.684 4.375 10.872 1.00 0.00 C ATOM 117 C GLY A 11 3.941 5.131 10.491 1.00 0.00 C ATOM 118 O GLY A 11 4.772 5.437 11.347 1.00 0.00 O ATOM 0 H GLY A 11 1.742 3.545 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.843 5.067 10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.799 3.968 11.877 1.00 0.00 H new ATOM 122 N CYS A 12 4.084 5.432 9.205 1.00 0.00 N ATOM 123 CA CYS A 12 5.251 6.155 8.715 1.00 0.00 C ATOM 124 C CYS A 12 4.868 7.105 7.580 1.00 0.00 C ATOM 125 O CYS A 12 4.096 6.743 6.693 1.00 0.00 O ATOM 126 CB CYS A 12 6.322 5.172 8.237 1.00 0.00 C ATOM 127 SG CYS A 12 7.816 5.156 9.254 1.00 0.00 S ATOM 0 H CYS A 12 3.406 5.186 8.483 1.00 0.00 H new ATOM 0 HA CYS A 12 5.653 6.747 9.537 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.897 4.169 8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.596 5.420 7.212 1.00 0.00 H new ATOM 0 HG CYS A 12 8.660 4.293 8.772 1.00 0.00 H new ATOM 133 N PRO A 13 5.405 8.339 7.592 1.00 0.00 N ATOM 134 CA PRO A 13 5.112 9.334 6.558 1.00 0.00 C ATOM 135 C PRO A 13 5.874 9.067 5.265 1.00 0.00 C ATOM 136 O PRO A 13 7.081 8.824 5.282 1.00 0.00 O ATOM 137 CB PRO A 13 5.583 10.641 7.195 1.00 0.00 C ATOM 138 CG PRO A 13 6.690 10.236 8.105 1.00 0.00 C ATOM 139 CD PRO A 13 6.338 8.861 8.611 1.00 0.00 C ATOM 0 HA PRO A 13 4.060 9.333 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.928 11.348 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.777 11.128 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.643 10.224 7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.792 10.940 8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.222 8.231 8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.872 8.904 9.595 1.00 0.00 H new ATOM 147 N VAL A 14 5.163 9.113 4.144 1.00 0.00 N ATOM 148 CA VAL A 14 5.773 8.876 2.841 1.00 0.00 C ATOM 149 C VAL A 14 4.973 9.543 1.728 1.00 0.00 C ATOM 150 O VAL A 14 3.747 9.628 1.795 1.00 0.00 O ATOM 151 CB VAL A 14 5.889 7.370 2.540 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.954 6.730 3.417 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.546 6.682 2.730 1.00 0.00 C ATOM 0 H VAL A 14 4.163 9.312 4.111 1.00 0.00 H new ATOM 0 HA VAL A 14 6.772 9.311 2.878 1.00 0.00 H new ATOM 0 HB VAL A 14 6.189 7.249 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.021 5.666 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.917 7.204 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.688 6.861 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.648 5.619 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.213 6.812 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.813 7.122 2.054 1.00 0.00 H new ATOM 163 N LYS A 15 5.677 10.017 0.704 1.00 0.00 N ATOM 164 CA LYS A 15 5.034 10.677 -0.426 1.00 0.00 C ATOM 165 C LYS A 15 4.483 9.653 -1.412 1.00 0.00 C ATOM 166 O LYS A 15 5.200 8.759 -1.860 1.00 0.00 O ATOM 167 CB LYS A 15 6.024 11.603 -1.133 1.00 0.00 C ATOM 168 CG LYS A 15 6.846 12.457 -0.182 1.00 0.00 C ATOM 169 CD LYS A 15 7.858 13.306 -0.932 1.00 0.00 C ATOM 170 CE LYS A 15 8.346 14.470 -0.084 1.00 0.00 C ATOM 171 NZ LYS A 15 9.446 15.221 -0.750 1.00 0.00 N ATOM 0 H LYS A 15 6.693 9.956 0.634 1.00 0.00 H new ATOM 0 HA LYS A 15 4.203 11.270 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.698 11.002 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.476 12.256 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.183 13.103 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.364 11.815 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.706 12.688 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.407 13.686 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.515 15.146 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.693 14.097 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.750 16.006 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.249 14.583 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.108 15.600 -1.658 1.00 0.00 H new ATOM 185 N VAL A 16 3.205 9.790 -1.748 1.00 0.00 N ATOM 186 CA VAL A 16 2.559 8.876 -2.682 1.00 0.00 C ATOM 187 C VAL A 16 2.252 9.570 -4.005 1.00 0.00 C ATOM 188 O VAL A 16 1.689 10.664 -4.029 1.00 0.00 O ATOM 189 CB VAL A 16 1.250 8.308 -2.100 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.702 7.207 -2.994 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.474 7.796 -0.685 1.00 0.00 C ATOM 0 H VAL A 16 2.596 10.525 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 16 3.257 8.057 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 16 0.513 9.110 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.222 6.818 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.502 7.610 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.433 6.402 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.539 7.399 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.227 7.008 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.817 8.614 -0.052 1.00 0.00 H new ATOM 201 N GLN A 17 2.629 8.926 -5.105 1.00 0.00 N ATOM 202 CA GLN A 17 2.396 9.480 -6.433 1.00 0.00 C ATOM 203 C GLN A 17 1.129 8.898 -7.050 1.00 0.00 C ATOM 204 O GLN A 17 1.063 7.705 -7.348 1.00 0.00 O ATOM 205 CB GLN A 17 3.593 9.203 -7.343 1.00 0.00 C ATOM 206 CG GLN A 17 3.849 10.298 -8.364 1.00 0.00 C ATOM 207 CD GLN A 17 5.263 10.271 -8.909 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.783 9.213 -9.262 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.893 11.438 -8.980 1.00 0.00 N ATOM 0 H GLN A 17 3.097 8.020 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 17 2.268 10.558 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.484 9.076 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.430 8.261 -7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.144 10.192 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.659 11.268 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.423 12.291 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.847 11.482 -9.339 1.00 0.00 H new ATOM 218 N LEU A 18 0.124 9.748 -7.239 1.00 0.00 N ATOM 219 CA LEU A 18 -1.141 9.318 -7.820 1.00 0.00 C ATOM 220 C LEU A 18 -1.052 9.268 -9.342 1.00 0.00 C ATOM 221 O LEU A 18 -1.513 8.316 -9.970 1.00 0.00 O ATOM 222 CB LEU A 18 -2.269 10.260 -7.394 1.00 0.00 C ATOM 223 CG LEU A 18 -2.685 10.151 -5.926 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.809 11.127 -5.616 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.108 8.726 -5.598 1.00 0.00 C ATOM 0 H LEU A 18 0.162 10.738 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.357 8.315 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.959 11.286 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.141 10.064 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.827 10.408 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.092 11.035 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.472 12.145 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.670 10.902 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.401 8.666 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.952 8.443 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.275 8.048 -5.782 1.00 0.00 H new ATOM 237 N ARG A 19 -0.455 10.302 -9.929 1.00 0.00 N ATOM 238 CA ARG A 19 -0.305 10.375 -11.377 1.00 0.00 C ATOM 239 C ARG A 19 1.087 9.922 -11.804 1.00 0.00 C ATOM 240 O ARG A 19 1.920 9.570 -10.967 1.00 0.00 O ATOM 241 CB ARG A 19 -0.561 11.802 -11.865 1.00 0.00 C ATOM 242 CG ARG A 19 -1.192 11.867 -13.248 1.00 0.00 C ATOM 243 CD ARG A 19 -2.583 12.480 -13.202 1.00 0.00 C ATOM 244 NE ARG A 19 -3.537 11.622 -12.505 1.00 0.00 N ATOM 245 CZ ARG A 19 -4.858 11.739 -12.614 1.00 0.00 C ATOM 246 NH1 ARG A 19 -5.385 12.677 -13.391 1.00 0.00 N ATOM 247 NH2 ARG A 19 -5.654 10.916 -11.946 1.00 0.00 N ATOM 0 H ARG A 19 -0.068 11.099 -9.424 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.039 9.706 -11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.212 12.310 -11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.383 12.347 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.557 12.455 -13.911 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.250 10.863 -13.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.536 13.449 -12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.933 12.661 -14.218 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.169 10.889 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.777 13.312 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.398 12.763 -13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.254 10.193 -11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.667 11.006 -12.030 1.00 0.00 H new ATOM 261 N SER A 20 1.333 9.933 -13.109 1.00 0.00 N ATOM 262 CA SER A 20 2.625 9.524 -13.647 1.00 0.00 C ATOM 263 C SER A 20 3.632 10.668 -13.575 1.00 0.00 C ATOM 264 O SER A 20 3.779 11.440 -14.523 1.00 0.00 O ATOM 265 CB SER A 20 2.473 9.054 -15.095 1.00 0.00 C ATOM 266 OG SER A 20 1.617 7.927 -15.178 1.00 0.00 O ATOM 0 H SER A 20 0.655 10.221 -13.814 1.00 0.00 H new ATOM 0 HA SER A 20 2.997 8.698 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.072 9.865 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.452 8.802 -15.504 1.00 0.00 H new ATOM 0 HG SER A 20 1.535 7.647 -16.114 1.00 0.00 H new ATOM 272 N GLY A 21 4.323 10.771 -12.444 1.00 0.00 N ATOM 273 CA GLY A 21 5.306 11.824 -12.269 1.00 0.00 C ATOM 274 C GLY A 21 4.691 13.208 -12.325 1.00 0.00 C ATOM 275 O GLY A 21 5.112 14.051 -13.118 1.00 0.00 O ATOM 0 H GLY A 21 4.220 10.144 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.808 11.692 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.068 11.737 -13.043 1.00 0.00 H new ATOM 279 N GLU A 22 3.690 13.442 -11.483 1.00 0.00 N ATOM 280 CA GLU A 22 3.014 14.735 -11.438 1.00 0.00 C ATOM 281 C GLU A 22 3.236 15.419 -10.094 1.00 0.00 C ATOM 282 O GLU A 22 3.620 16.588 -10.037 1.00 0.00 O ATOM 283 CB GLU A 22 1.516 14.559 -11.692 1.00 0.00 C ATOM 284 CG GLU A 22 0.782 15.867 -11.934 1.00 0.00 C ATOM 285 CD GLU A 22 -0.314 15.738 -12.973 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.017 15.273 -14.094 1.00 0.00 O ATOM 287 OE2 GLU A 22 -1.469 16.102 -12.667 1.00 0.00 O ATOM 0 H GLU A 22 3.328 12.754 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 22 3.437 15.365 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.376 13.909 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.068 14.054 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.349 16.215 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.496 16.625 -12.256 1.00 0.00 H new ATOM 294 N GLU A 23 2.994 14.684 -9.014 1.00 0.00 N ATOM 295 CA GLU A 23 3.167 15.221 -7.669 1.00 0.00 C ATOM 296 C GLU A 23 2.903 14.148 -6.617 1.00 0.00 C ATOM 297 O GLU A 23 1.855 13.504 -6.622 1.00 0.00 O ATOM 298 CB GLU A 23 2.231 16.410 -7.446 1.00 0.00 C ATOM 299 CG GLU A 23 2.674 17.330 -6.321 1.00 0.00 C ATOM 300 CD GLU A 23 1.935 18.654 -6.326 1.00 0.00 C ATOM 301 OE1 GLU A 23 2.219 19.488 -7.211 1.00 0.00 O ATOM 302 OE2 GLU A 23 1.073 18.857 -5.446 1.00 0.00 O ATOM 0 H GLU A 23 2.677 13.715 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 23 4.199 15.557 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.162 16.986 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.230 16.038 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.513 16.832 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.745 17.515 -6.408 1.00 0.00 H new ATOM 309 N LYS A 24 3.862 13.963 -5.714 1.00 0.00 N ATOM 310 CA LYS A 24 3.733 12.968 -4.655 1.00 0.00 C ATOM 311 C LYS A 24 3.217 13.608 -3.369 1.00 0.00 C ATOM 312 O LYS A 24 3.877 14.467 -2.785 1.00 0.00 O ATOM 313 CB LYS A 24 5.079 12.291 -4.396 1.00 0.00 C ATOM 314 CG LYS A 24 5.673 11.626 -5.627 1.00 0.00 C ATOM 315 CD LYS A 24 6.464 10.381 -5.259 1.00 0.00 C ATOM 316 CE LYS A 24 7.631 10.160 -6.208 1.00 0.00 C ATOM 317 NZ LYS A 24 8.054 8.734 -6.246 1.00 0.00 N ATOM 0 H LYS A 24 4.736 14.489 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 24 3.014 12.217 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.783 13.033 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.955 11.543 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.874 11.360 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.322 12.331 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.836 10.474 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.807 9.512 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.349 10.482 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.473 10.780 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.852 8.626 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.347 8.433 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.259 8.144 -6.566 1.00 0.00 H new ATOM 331 N PHE A 25 2.035 13.183 -2.936 1.00 0.00 N ATOM 332 CA PHE A 25 1.432 13.715 -1.719 1.00 0.00 C ATOM 333 C PHE A 25 1.913 12.943 -0.491 1.00 0.00 C ATOM 334 O PHE A 25 1.897 11.711 -0.479 1.00 0.00 O ATOM 335 CB PHE A 25 -0.094 13.649 -1.810 1.00 0.00 C ATOM 336 CG PHE A 25 -0.664 14.461 -2.939 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.304 15.788 -3.106 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.560 13.895 -3.832 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.826 16.536 -4.143 1.00 0.00 C ATOM 340 CE2 PHE A 25 -2.086 14.639 -4.871 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.718 15.961 -5.027 1.00 0.00 C ATOM 0 H PHE A 25 1.476 12.473 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 25 1.739 14.756 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.398 12.609 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.521 13.998 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.393 16.243 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.850 12.861 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.537 17.570 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.784 14.187 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.127 16.544 -5.839 1.00 0.00 H new ATOM 351 N PRO A 26 2.349 13.655 0.565 1.00 0.00 N ATOM 352 CA PRO A 26 2.834 13.022 1.795 1.00 0.00 C ATOM 353 C PRO A 26 1.701 12.429 2.625 1.00 0.00 C ATOM 354 O PRO A 26 0.596 12.970 2.663 1.00 0.00 O ATOM 355 CB PRO A 26 3.500 14.174 2.545 1.00 0.00 C ATOM 356 CG PRO A 26 2.780 15.392 2.077 1.00 0.00 C ATOM 357 CD PRO A 26 2.406 15.128 0.643 1.00 0.00 C ATOM 0 HA PRO A 26 3.503 12.186 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.409 14.050 3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.565 14.231 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.894 15.578 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.414 16.275 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.447 15.580 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.145 15.538 -0.046 1.00 0.00 H new ATOM 365 N GLY A 27 1.981 11.311 3.290 1.00 0.00 N ATOM 366 CA GLY A 27 0.974 10.666 4.110 1.00 0.00 C ATOM 367 C GLY A 27 1.553 9.583 5.000 1.00 0.00 C ATOM 368 O GLY A 27 2.594 9.004 4.687 1.00 0.00 O ATOM 0 H GLY A 27 2.887 10.842 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.481 11.415 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.210 10.232 3.466 1.00 0.00 H new ATOM 372 N VAL A 28 0.877 9.309 6.110 1.00 0.00 N ATOM 373 CA VAL A 28 1.328 8.288 7.048 1.00 0.00 C ATOM 374 C VAL A 28 0.708 6.933 6.721 1.00 0.00 C ATOM 375 O VAL A 28 -0.488 6.837 6.446 1.00 0.00 O ATOM 376 CB VAL A 28 0.981 8.669 8.502 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.527 8.775 8.687 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.579 7.663 9.476 1.00 0.00 C ATOM 0 H VAL A 28 0.014 9.780 6.382 1.00 0.00 H new ATOM 0 HA VAL A 28 2.411 8.220 6.950 1.00 0.00 H new ATOM 0 HB VAL A 28 1.415 9.646 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.749 9.045 9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.923 9.540 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.990 7.816 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.324 7.948 10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.179 6.671 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.663 7.648 9.364 1.00 0.00 H new ATOM 388 N VAL A 29 1.529 5.889 6.751 1.00 0.00 N ATOM 389 CA VAL A 29 1.060 4.541 6.456 1.00 0.00 C ATOM 390 C VAL A 29 0.059 4.064 7.503 1.00 0.00 C ATOM 391 O VAL A 29 0.294 4.189 8.704 1.00 0.00 O ATOM 392 CB VAL A 29 2.230 3.540 6.389 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.750 2.191 5.877 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.348 4.084 5.512 1.00 0.00 C ATOM 0 H VAL A 29 2.522 5.951 6.977 1.00 0.00 H new ATOM 0 HA VAL A 29 0.571 4.584 5.483 1.00 0.00 H new ATOM 0 HB VAL A 29 2.624 3.401 7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.590 1.497 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.987 1.798 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.329 2.310 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.166 3.364 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.970 4.254 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.711 5.025 5.927 1.00 0.00 H new ATOM 404 N ARG A 30 -1.060 3.517 7.037 1.00 0.00 N ATOM 405 CA ARG A 30 -2.099 3.020 7.933 1.00 0.00 C ATOM 406 C ARG A 30 -2.231 1.504 7.831 1.00 0.00 C ATOM 407 O ARG A 30 -2.593 0.836 8.801 1.00 0.00 O ATOM 408 CB ARG A 30 -3.439 3.683 7.606 1.00 0.00 C ATOM 409 CG ARG A 30 -3.363 5.198 7.516 1.00 0.00 C ATOM 410 CD ARG A 30 -2.840 5.809 8.807 1.00 0.00 C ATOM 411 NE ARG A 30 -3.696 6.892 9.284 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.841 6.700 9.935 1.00 0.00 C ATOM 413 NH1 ARG A 30 -5.270 5.470 10.189 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.559 7.741 10.335 1.00 0.00 N ATOM 0 H ARG A 30 -1.270 3.407 6.045 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.813 3.271 8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.808 3.289 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.166 3.409 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.713 5.482 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.352 5.600 7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.772 5.036 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.831 6.188 8.646 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.399 7.852 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.721 4.666 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.148 5.329 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.234 8.689 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.436 7.594 10.834 1.00 0.00 H new ATOM 428 N PHE A 31 -1.936 0.965 6.653 1.00 0.00 N ATOM 429 CA PHE A 31 -2.022 -0.473 6.426 1.00 0.00 C ATOM 430 C PHE A 31 -1.056 -0.909 5.328 1.00 0.00 C ATOM 431 O PHE A 31 -0.493 -0.076 4.618 1.00 0.00 O ATOM 432 CB PHE A 31 -3.451 -0.866 6.048 1.00 0.00 C ATOM 433 CG PHE A 31 -3.738 -2.330 6.220 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.021 -2.852 7.473 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.725 -3.185 5.130 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.284 -4.199 7.635 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.988 -4.533 5.285 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.267 -5.041 6.539 1.00 0.00 C ATOM 0 H PHE A 31 -1.635 1.503 5.840 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.746 -0.979 7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.150 -0.293 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.633 -0.588 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.036 -2.198 8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.507 -2.794 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.502 -4.593 8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.975 -5.188 4.427 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.471 -6.094 6.663 1.00 0.00 H new ATOM 448 N ARG A 32 -0.868 -2.217 5.196 1.00 0.00 N ATOM 449 CA ARG A 32 0.031 -2.762 4.184 1.00 0.00 C ATOM 450 C ARG A 32 -0.354 -4.194 3.831 1.00 0.00 C ATOM 451 O ARG A 32 -0.428 -5.062 4.702 1.00 0.00 O ATOM 452 CB ARG A 32 1.478 -2.713 4.680 1.00 0.00 C ATOM 453 CG ARG A 32 2.482 -3.286 3.692 1.00 0.00 C ATOM 454 CD ARG A 32 3.780 -3.675 4.380 1.00 0.00 C ATOM 455 NE ARG A 32 4.474 -4.750 3.675 1.00 0.00 N ATOM 456 CZ ARG A 32 4.144 -6.036 3.775 1.00 0.00 C ATOM 457 NH1 ARG A 32 3.131 -6.411 4.546 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.829 -6.950 3.101 1.00 0.00 N ATOM 0 H ARG A 32 -1.326 -2.920 5.776 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.057 -2.151 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.744 -1.678 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.550 -3.263 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.053 -4.160 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.688 -2.552 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.432 -2.804 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.568 -3.990 5.402 1.00 0.00 H new ATOM 0 HE ARG A 32 5.257 -4.501 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.600 -5.712 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.883 -7.398 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.608 -6.668 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.577 -7.935 3.177 1.00 0.00 H new ATOM 472 N GLY A 33 -0.597 -4.436 2.547 1.00 0.00 N ATOM 473 CA GLY A 33 -0.971 -5.765 2.101 1.00 0.00 C ATOM 474 C GLY A 33 -1.400 -5.789 0.644 1.00 0.00 C ATOM 475 O GLY A 33 -2.051 -4.856 0.175 1.00 0.00 O ATOM 0 H GLY A 33 -0.542 -3.736 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.128 -6.442 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.785 -6.138 2.723 1.00 0.00 H new ATOM 479 N PRO A 34 -1.049 -6.850 -0.104 1.00 0.00 N ATOM 480 CA PRO A 34 -1.413 -6.971 -1.520 1.00 0.00 C ATOM 481 C PRO A 34 -2.920 -6.879 -1.739 1.00 0.00 C ATOM 482 O PRO A 34 -3.676 -6.599 -0.808 1.00 0.00 O ATOM 483 CB PRO A 34 -0.902 -8.362 -1.910 1.00 0.00 C ATOM 484 CG PRO A 34 0.154 -8.678 -0.910 1.00 0.00 C ATOM 485 CD PRO A 34 -0.274 -8.012 0.367 1.00 0.00 C ATOM 0 HA PRO A 34 -0.985 -6.166 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.704 -9.099 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.500 -8.365 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.253 -9.755 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.125 -8.307 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.879 -8.676 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.582 -7.708 0.969 1.00 0.00 H new ATOM 628 N ILE A 44 2.985 -5.393 -3.493 1.00 0.00 N ATOM 629 CA ILE A 44 2.306 -5.180 -2.220 1.00 0.00 C ATOM 630 C ILE A 44 1.796 -3.747 -2.104 1.00 0.00 C ATOM 631 O ILE A 44 2.539 -2.792 -2.338 1.00 0.00 O ATOM 632 CB ILE A 44 3.238 -5.480 -1.029 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.886 -6.856 -1.194 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.466 -5.406 0.281 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.178 -7.011 -0.423 1.00 0.00 C ATOM 0 HA ILE A 44 1.461 -5.868 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 44 4.027 -4.728 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.183 -7.622 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.080 -7.033 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.138 -5.620 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.048 -4.407 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.659 -6.138 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.581 -8.010 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.898 -6.268 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.987 -6.866 0.640 1.00 0.00 H new ATOM 647 N PHE A 45 0.527 -3.604 -1.741 1.00 0.00 N ATOM 648 CA PHE A 45 -0.083 -2.288 -1.593 1.00 0.00 C ATOM 649 C PHE A 45 0.159 -1.730 -0.195 1.00 0.00 C ATOM 650 O PHE A 45 0.026 -2.442 0.801 1.00 0.00 O ATOM 651 CB PHE A 45 -1.585 -2.364 -1.872 1.00 0.00 C ATOM 652 CG PHE A 45 -1.918 -2.483 -3.333 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.091 -1.351 -4.112 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.058 -3.729 -3.924 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.398 -1.458 -5.455 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.366 -3.842 -5.267 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.535 -2.705 -6.034 1.00 0.00 C ATOM 0 H PHE A 45 -0.100 -4.384 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 45 0.380 -1.618 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.002 -3.220 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.067 -1.473 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.985 -0.374 -3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.925 -4.621 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.531 -0.568 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.474 -4.818 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.774 -2.791 -7.084 1.00 0.00 H new ATOM 667 N PHE A 46 0.515 -0.451 -0.127 1.00 0.00 N ATOM 668 CA PHE A 46 0.776 0.205 1.149 1.00 0.00 C ATOM 669 C PHE A 46 -0.236 1.316 1.408 1.00 0.00 C ATOM 670 O PHE A 46 -0.241 2.337 0.721 1.00 0.00 O ATOM 671 CB PHE A 46 2.193 0.778 1.171 1.00 0.00 C ATOM 672 CG PHE A 46 3.262 -0.263 1.357 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.437 -1.269 0.421 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.091 -0.232 2.466 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.419 -2.226 0.589 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.075 -1.187 2.640 1.00 0.00 C ATOM 677 CZ PHE A 46 5.239 -2.185 1.700 1.00 0.00 C ATOM 0 H PHE A 46 0.629 0.152 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 46 0.680 -0.541 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.375 1.310 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.267 1.510 1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.799 -1.306 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.967 0.547 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.546 -3.006 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.714 -1.153 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.007 -2.932 1.833 1.00 0.00 H new ATOM 687 N GLY A 47 -1.091 1.109 2.403 1.00 0.00 N ATOM 688 CA GLY A 47 -2.096 2.104 2.735 1.00 0.00 C ATOM 689 C GLY A 47 -1.497 3.334 3.387 1.00 0.00 C ATOM 690 O GLY A 47 -0.880 3.243 4.449 1.00 0.00 O ATOM 0 H GLY A 47 -1.107 0.272 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.626 2.398 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.833 1.663 3.406 1.00 0.00 H new ATOM 694 N VAL A 48 -1.678 4.486 2.751 1.00 0.00 N ATOM 695 CA VAL A 48 -1.149 5.741 3.274 1.00 0.00 C ATOM 696 C VAL A 48 -2.230 6.817 3.309 1.00 0.00 C ATOM 697 O VAL A 48 -3.003 6.965 2.361 1.00 0.00 O ATOM 698 CB VAL A 48 0.035 6.246 2.429 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.694 7.444 3.094 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.044 5.130 2.203 1.00 0.00 C ATOM 0 H VAL A 48 -2.187 4.577 1.872 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.802 5.543 4.288 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.345 6.563 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.528 7.787 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.034 8.249 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.061 7.157 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.874 5.505 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.420 4.779 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.562 4.305 1.679 1.00 0.00 H new ATOM 710 N GLU A 49 -2.278 7.566 4.405 1.00 0.00 N ATOM 711 CA GLU A 49 -3.264 8.629 4.561 1.00 0.00 C ATOM 712 C GLU A 49 -2.707 9.964 4.079 1.00 0.00 C ATOM 713 O GLU A 49 -1.711 10.459 4.607 1.00 0.00 O ATOM 714 CB GLU A 49 -3.697 8.741 6.024 1.00 0.00 C ATOM 715 CG GLU A 49 -4.746 9.813 6.268 1.00 0.00 C ATOM 716 CD GLU A 49 -4.528 10.556 7.571 1.00 0.00 C ATOM 717 OE1 GLU A 49 -3.998 9.944 8.522 1.00 0.00 O ATOM 718 OE2 GLU A 49 -4.886 11.751 7.641 1.00 0.00 O ATOM 0 H GLU A 49 -1.646 7.457 5.198 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.132 8.378 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.090 7.779 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.822 8.954 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.732 10.524 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.734 9.354 6.277 1.00 0.00 H new ATOM 725 N LEU A 50 -3.355 10.541 3.073 1.00 0.00 N ATOM 726 CA LEU A 50 -2.925 11.819 2.517 1.00 0.00 C ATOM 727 C LEU A 50 -2.926 12.908 3.586 1.00 0.00 C ATOM 728 O LEU A 50 -3.880 13.039 4.352 1.00 0.00 O ATOM 729 CB LEU A 50 -3.836 12.226 1.358 1.00 0.00 C ATOM 730 CG LEU A 50 -3.954 11.196 0.234 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.181 11.475 -0.620 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.696 11.195 -0.622 1.00 0.00 C ATOM 0 H LEU A 50 -4.181 10.144 2.625 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.907 11.701 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.832 12.426 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.466 13.161 0.936 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.066 10.209 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.248 10.732 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.076 11.424 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.100 12.469 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.797 10.456 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.554 12.183 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.835 10.946 -0.002 1.00 0.00 H new ATOM 744 N LEU A 51 -1.849 13.686 3.630 1.00 0.00 N ATOM 745 CA LEU A 51 -1.724 14.764 4.604 1.00 0.00 C ATOM 746 C LEU A 51 -2.449 16.017 4.122 1.00 0.00 C ATOM 747 O LEU A 51 -3.040 16.028 3.042 1.00 0.00 O ATOM 748 CB LEU A 51 -0.248 15.079 4.862 1.00 0.00 C ATOM 749 CG LEU A 51 0.346 14.416 6.106 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.817 14.098 5.891 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.164 15.312 7.322 1.00 0.00 C ATOM 0 H LEU A 51 -1.051 13.590 3.003 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.185 14.435 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.331 14.770 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.133 16.159 4.954 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.183 13.480 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.222 13.627 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.923 13.419 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.362 15.019 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.592 14.826 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.668 16.263 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.899 15.489 7.488 1.00 0.00 H new ATOM 763 N GLU A 52 -2.401 17.071 4.932 1.00 0.00 N ATOM 764 CA GLU A 52 -3.055 18.332 4.591 1.00 0.00 C ATOM 765 C GLU A 52 -2.611 18.826 3.218 1.00 0.00 C ATOM 766 O GLU A 52 -3.365 19.501 2.517 1.00 0.00 O ATOM 767 CB GLU A 52 -2.746 19.391 5.651 1.00 0.00 C ATOM 768 CG GLU A 52 -1.263 19.699 5.788 1.00 0.00 C ATOM 769 CD GLU A 52 -0.879 21.018 5.150 1.00 0.00 C ATOM 770 OE1 GLU A 52 -0.877 21.096 3.903 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.581 21.975 5.894 1.00 0.00 O ATOM 0 H GLU A 52 -1.916 17.077 5.829 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.130 18.157 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.278 20.309 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.129 19.052 6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.996 19.720 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.685 18.896 5.329 1.00 0.00 H new ATOM 778 N GLU A 53 -1.384 18.483 2.837 1.00 0.00 N ATOM 779 CA GLU A 53 -0.843 18.893 1.547 1.00 0.00 C ATOM 780 C GLU A 53 -1.651 18.287 0.402 1.00 0.00 C ATOM 781 O GLU A 53 -2.144 19.003 -0.470 1.00 0.00 O ATOM 782 CB GLU A 53 0.626 18.475 1.430 1.00 0.00 C ATOM 783 CG GLU A 53 1.541 19.598 0.974 1.00 0.00 C ATOM 784 CD GLU A 53 3.008 19.276 1.183 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.320 18.512 2.120 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.844 19.787 0.409 1.00 0.00 O ATOM 0 H GLU A 53 -0.747 17.923 3.403 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.910 19.979 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.969 18.108 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.705 17.645 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.364 19.800 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.292 20.509 1.518 1.00 0.00 H new ATOM 793 N GLY A 54 -1.783 16.964 0.413 1.00 0.00 N ATOM 794 CA GLY A 54 -2.532 16.285 -0.628 1.00 0.00 C ATOM 795 C GLY A 54 -3.829 15.690 -0.113 1.00 0.00 C ATOM 796 O GLY A 54 -4.278 14.652 -0.598 1.00 0.00 O ATOM 0 H GLY A 54 -1.385 16.351 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.752 16.988 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.917 15.493 -1.057 1.00 0.00 H new ATOM 800 N ARG A 55 -4.428 16.348 0.874 1.00 0.00 N ATOM 801 CA ARG A 55 -5.681 15.879 1.455 1.00 0.00 C ATOM 802 C ARG A 55 -6.829 16.015 0.460 1.00 0.00 C ATOM 803 O ARG A 55 -6.964 17.038 -0.211 1.00 0.00 O ATOM 804 CB ARG A 55 -6.000 16.662 2.730 1.00 0.00 C ATOM 805 CG ARG A 55 -6.615 15.811 3.830 1.00 0.00 C ATOM 806 CD ARG A 55 -6.248 16.334 5.209 1.00 0.00 C ATOM 807 NE ARG A 55 -6.679 15.428 6.271 1.00 0.00 N ATOM 808 CZ ARG A 55 -6.204 15.462 7.514 1.00 0.00 C ATOM 809 NH1 ARG A 55 -5.282 16.355 7.854 1.00 0.00 N ATOM 810 NH2 ARG A 55 -6.650 14.602 8.419 1.00 0.00 N ATOM 0 H ARG A 55 -4.066 17.207 1.288 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.564 14.824 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.084 17.118 3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.684 17.475 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.699 15.801 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.274 14.781 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.169 16.474 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.705 17.312 5.359 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.386 14.728 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.935 17.019 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.921 16.377 8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.358 13.913 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.285 14.629 9.371 1.00 0.00 H new ATOM 824 N GLY A 56 -7.653 14.976 0.369 1.00 0.00 N ATOM 825 CA GLY A 56 -8.779 15.001 -0.546 1.00 0.00 C ATOM 826 C GLY A 56 -8.451 14.372 -1.885 1.00 0.00 C ATOM 827 O GLY A 56 -8.906 14.842 -2.928 1.00 0.00 O ATOM 0 H GLY A 56 -7.561 14.118 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.620 14.474 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.095 16.033 -0.700 1.00 0.00 H new ATOM 831 N GLN A 57 -7.660 13.304 -1.858 1.00 0.00 N ATOM 832 CA GLN A 57 -7.272 12.608 -3.080 1.00 0.00 C ATOM 833 C GLN A 57 -7.256 11.099 -2.866 1.00 0.00 C ATOM 834 O GLN A 57 -6.445 10.387 -3.456 1.00 0.00 O ATOM 835 CB GLN A 57 -5.895 13.084 -3.547 1.00 0.00 C ATOM 836 CG GLN A 57 -5.851 14.562 -3.901 1.00 0.00 C ATOM 837 CD GLN A 57 -6.388 14.845 -5.290 1.00 0.00 C ATOM 838 OE1 GLN A 57 -5.938 14.256 -6.274 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.355 15.750 -5.377 1.00 0.00 N ATOM 0 H GLN A 57 -7.275 12.902 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.009 12.839 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.165 12.885 -2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.594 12.501 -4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.431 15.124 -3.170 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.823 14.918 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.697 16.213 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.756 15.982 -6.286 1.00 0.00 H new ATOM 848 N GLY A 58 -8.158 10.618 -2.016 1.00 0.00 N ATOM 849 CA GLY A 58 -8.229 9.195 -1.738 1.00 0.00 C ATOM 850 C GLY A 58 -9.374 8.519 -2.465 1.00 0.00 C ATOM 851 O GLY A 58 -10.434 9.115 -2.659 1.00 0.00 O ATOM 0 H GLY A 58 -8.840 11.187 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.290 8.724 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.344 9.043 -0.665 1.00 0.00 H new ATOM 855 N PHE A 59 -9.160 7.271 -2.870 1.00 0.00 N ATOM 856 CA PHE A 59 -10.183 6.511 -3.580 1.00 0.00 C ATOM 857 C PHE A 59 -10.733 5.388 -2.707 1.00 0.00 C ATOM 858 O PHE A 59 -11.946 5.245 -2.555 1.00 0.00 O ATOM 859 CB PHE A 59 -9.611 5.932 -4.877 1.00 0.00 C ATOM 860 CG PHE A 59 -8.241 5.338 -4.720 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.114 6.142 -4.768 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.080 3.975 -4.525 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.851 5.598 -4.624 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.820 3.426 -4.381 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.704 4.238 -4.430 1.00 0.00 C ATOM 0 H PHE A 59 -8.288 6.765 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.000 7.190 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.289 5.165 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.572 6.719 -5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.223 7.206 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.949 3.335 -4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.980 6.236 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.708 2.362 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.719 3.811 -4.317 1.00 0.00 H new ATOM 875 N THR A 60 -9.833 4.595 -2.134 1.00 0.00 N ATOM 876 CA THR A 60 -10.231 3.485 -1.276 1.00 0.00 C ATOM 877 C THR A 60 -10.972 3.989 -0.043 1.00 0.00 C ATOM 878 O THR A 60 -11.973 3.407 0.373 1.00 0.00 O ATOM 879 CB THR A 60 -9.005 2.674 -0.851 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.369 1.666 0.076 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.921 3.516 -0.213 1.00 0.00 C ATOM 0 H THR A 60 -8.825 4.700 -2.248 1.00 0.00 H new ATOM 0 HA THR A 60 -10.903 2.843 -1.845 1.00 0.00 H new ATOM 0 HB THR A 60 -8.611 2.242 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.967 1.023 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.081 2.879 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.584 4.273 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.316 4.004 0.678 1.00 0.00 H new ATOM 889 N ASP A 61 -10.472 5.075 0.538 1.00 0.00 N ATOM 890 CA ASP A 61 -11.086 5.657 1.725 1.00 0.00 C ATOM 891 C ASP A 61 -11.104 4.657 2.877 1.00 0.00 C ATOM 892 O ASP A 61 -11.998 4.687 3.723 1.00 0.00 O ATOM 893 CB ASP A 61 -12.511 6.119 1.414 1.00 0.00 C ATOM 894 CG ASP A 61 -12.987 7.202 2.361 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.294 8.234 2.481 1.00 0.00 O ATOM 896 OD2 ASP A 61 -14.055 7.019 2.984 1.00 0.00 O ATOM 0 H ASP A 61 -9.644 5.569 0.206 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.489 6.518 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.554 6.491 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.187 5.266 1.472 1.00 0.00 H new ATOM 901 N GLY A 62 -10.111 3.773 2.904 1.00 0.00 N ATOM 902 CA GLY A 62 -10.034 2.779 3.956 1.00 0.00 C ATOM 903 C GLY A 62 -10.676 1.461 3.566 1.00 0.00 C ATOM 904 O GLY A 62 -10.430 0.434 4.198 1.00 0.00 O ATOM 0 H GLY A 62 -9.359 3.728 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.988 2.607 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.522 3.165 4.851 1.00 0.00 H new ATOM 908 N VAL A 63 -11.505 1.487 2.525 1.00 0.00 N ATOM 909 CA VAL A 63 -12.183 0.283 2.059 1.00 0.00 C ATOM 910 C VAL A 63 -11.797 -0.045 0.619 1.00 0.00 C ATOM 911 O VAL A 63 -11.695 0.845 -0.225 1.00 0.00 O ATOM 912 CB VAL A 63 -13.715 0.429 2.153 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.205 1.555 1.253 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.401 -0.883 1.801 1.00 0.00 C ATOM 0 H VAL A 63 -11.722 2.328 1.990 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.864 -0.532 2.709 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.972 0.682 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.289 1.641 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.743 2.493 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.935 1.338 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.482 -0.759 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.136 -1.171 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.078 -1.660 2.494 1.00 0.00 H new ATOM 924 N TYR A 64 -11.586 -1.329 0.348 1.00 0.00 N ATOM 925 CA TYR A 64 -11.213 -1.777 -0.988 1.00 0.00 C ATOM 926 C TYR A 64 -12.101 -2.932 -1.440 1.00 0.00 C ATOM 927 O TYR A 64 -12.008 -4.042 -0.914 1.00 0.00 O ATOM 928 CB TYR A 64 -9.745 -2.205 -1.014 1.00 0.00 C ATOM 929 CG TYR A 64 -9.097 -2.067 -2.375 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.138 -3.107 -3.294 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.447 -0.894 -2.737 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.546 -2.983 -4.537 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.854 -0.763 -3.979 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.906 -1.810 -4.874 1.00 0.00 C ATOM 935 OH TYR A 64 -7.317 -1.683 -6.111 1.00 0.00 O ATOM 0 H TYR A 64 -11.667 -2.077 1.036 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.352 -0.944 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.188 -1.606 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.672 -3.243 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.640 -4.027 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.404 -0.072 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.585 -3.801 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.352 0.155 -4.247 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.910 -0.795 -6.190 1.00 0.00 H new ATOM 945 N GLN A 65 -12.963 -2.664 -2.415 1.00 0.00 N ATOM 946 CA GLN A 65 -13.869 -3.680 -2.937 1.00 0.00 C ATOM 947 C GLN A 65 -14.814 -4.180 -1.848 1.00 0.00 C ATOM 948 O GLN A 65 -15.269 -5.323 -1.884 1.00 0.00 O ATOM 949 CB GLN A 65 -13.076 -4.853 -3.517 1.00 0.00 C ATOM 950 CG GLN A 65 -12.704 -4.672 -4.980 1.00 0.00 C ATOM 951 CD GLN A 65 -12.181 -5.948 -5.610 1.00 0.00 C ATOM 952 OE1 GLN A 65 -10.993 -6.063 -5.910 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.068 -6.914 -5.815 1.00 0.00 N ATOM 0 H GLN A 65 -13.053 -1.751 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.464 -3.226 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.166 -4.989 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.663 -5.765 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.578 -4.329 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.947 -3.892 -5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.043 -6.775 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.774 -7.795 -6.237 1.00 0.00 H new ATOM 962 N GLY A 66 -15.106 -3.315 -0.881 1.00 0.00 N ATOM 963 CA GLY A 66 -15.996 -3.688 0.202 1.00 0.00 C ATOM 964 C GLY A 66 -15.248 -4.069 1.465 1.00 0.00 C ATOM 965 O GLY A 66 -15.769 -3.920 2.571 1.00 0.00 O ATOM 0 H GLY A 66 -14.742 -2.364 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.668 -2.857 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.617 -4.526 -0.115 1.00 0.00 H new ATOM 969 N LYS A 67 -14.026 -4.562 1.301 1.00 0.00 N ATOM 970 CA LYS A 67 -13.205 -4.966 2.437 1.00 0.00 C ATOM 971 C LYS A 67 -12.541 -3.758 3.089 1.00 0.00 C ATOM 972 O LYS A 67 -11.703 -3.094 2.479 1.00 0.00 O ATOM 973 CB LYS A 67 -12.139 -5.969 1.991 1.00 0.00 C ATOM 974 CG LYS A 67 -11.506 -6.735 3.142 1.00 0.00 C ATOM 975 CD LYS A 67 -12.078 -8.139 3.262 1.00 0.00 C ATOM 976 CE LYS A 67 -11.237 -9.008 4.183 1.00 0.00 C ATOM 977 NZ LYS A 67 -11.003 -10.362 3.608 1.00 0.00 N ATOM 0 H LYS A 67 -13.581 -4.692 0.392 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.856 -5.439 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.588 -6.679 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.358 -5.439 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.428 -6.792 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.670 -6.194 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.098 -8.086 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.129 -8.597 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.279 -8.521 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.736 -9.104 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.426 -10.924 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.916 -10.837 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.504 -10.272 2.700 1.00 0.00 H new ATOM 991 N GLN A 68 -12.922 -3.477 4.331 1.00 0.00 N ATOM 992 CA GLN A 68 -12.363 -2.349 5.066 1.00 0.00 C ATOM 993 C GLN A 68 -11.012 -2.711 5.673 1.00 0.00 C ATOM 994 O GLN A 68 -10.938 -3.229 6.787 1.00 0.00 O ATOM 995 CB GLN A 68 -13.326 -1.903 6.168 1.00 0.00 C ATOM 996 CG GLN A 68 -12.994 -0.538 6.749 1.00 0.00 C ATOM 997 CD GLN A 68 -13.608 0.599 5.955 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.699 0.465 5.401 1.00 0.00 O ATOM 999 NE2 GLN A 68 -12.907 1.725 5.896 1.00 0.00 N ATOM 0 H GLN A 68 -13.616 -4.016 4.849 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.218 -1.527 4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.339 -1.881 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.316 -2.642 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.348 -0.490 7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.912 -0.413 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.007 1.791 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.269 2.524 5.376 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.943 -2.434 4.931 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.594 -2.731 5.396 1.00 0.00 C ATOM 1010 C LEU A 69 -8.193 -1.802 6.536 1.00 0.00 C ATOM 1011 O LEU A 69 -7.667 -2.246 7.557 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.594 -2.603 4.244 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.692 -3.696 3.177 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.611 -3.512 2.125 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.588 -5.074 3.816 1.00 0.00 C ATOM 0 H LEU A 69 -9.986 -2.005 4.007 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.583 -3.756 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.737 -1.635 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.585 -2.608 4.656 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.663 -3.616 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.696 -4.298 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.730 -2.540 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.630 -3.566 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.660 -5.840 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.631 -5.165 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.399 -5.205 4.533 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.446 -0.509 6.357 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.112 0.484 7.371 1.00 0.00 C ATOM 1029 C PHE A 70 -9.160 1.591 7.416 1.00 0.00 C ATOM 1030 O PHE A 70 -10.015 1.685 6.535 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.731 1.083 7.094 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.652 1.833 5.794 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.824 1.174 4.588 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.405 3.196 5.781 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.751 1.862 3.390 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.330 3.889 4.587 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.504 3.221 3.391 1.00 0.00 C ATOM 0 H PHE A 70 -8.881 -0.125 5.518 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.096 -0.015 8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.466 1.756 7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.991 0.283 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.017 0.111 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.270 3.723 6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.887 1.337 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.136 4.951 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.447 3.761 2.457 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.087 2.427 8.447 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.029 3.528 8.606 1.00 0.00 C ATOM 1049 C GLN A 71 -9.332 4.872 8.417 1.00 0.00 C ATOM 1050 O GLN A 71 -8.289 5.133 9.017 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.683 3.471 9.988 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.944 4.315 10.099 1.00 0.00 C ATOM 1053 CD GLN A 71 -11.862 5.346 11.208 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.748 5.433 12.057 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -10.793 6.135 11.204 1.00 0.00 N ATOM 0 H GLN A 71 -8.385 2.363 9.184 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.799 3.427 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.927 2.435 10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.964 3.807 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.122 4.821 9.150 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.799 3.662 10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.082 6.027 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.683 6.848 11.925 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.914 5.722 7.578 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.349 7.040 7.309 1.00 0.00 C ATOM 1066 C CYS A 72 -10.446 8.044 6.974 1.00 0.00 C ATOM 1067 O CYS A 72 -11.610 7.678 6.814 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.343 6.960 6.157 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.619 6.852 6.691 1.00 0.00 S ATOM 0 H CYS A 72 -10.777 5.522 7.072 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.835 7.379 8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.578 6.090 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.462 7.839 5.523 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.133 5.694 6.357 1.00 0.00 H new ATOM 1075 N ASP A 73 -10.066 9.314 6.871 1.00 0.00 N ATOM 1076 CA ASP A 73 -11.017 10.373 6.555 1.00 0.00 C ATOM 1077 C ASP A 73 -11.517 10.245 5.120 1.00 0.00 C ATOM 1078 O ASP A 73 -11.117 9.337 4.392 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.373 11.744 6.764 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.444 12.203 8.207 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.533 12.634 8.640 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.409 12.132 8.903 1.00 0.00 O ATOM 0 H ASP A 73 -9.106 9.634 7.002 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.870 10.274 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.330 11.704 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.870 12.476 6.128 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.392 11.161 4.720 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.947 11.151 3.370 1.00 0.00 C ATOM 1089 C GLU A 74 -11.896 11.568 2.345 1.00 0.00 C ATOM 1090 O GLU A 74 -11.344 12.666 2.418 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.156 12.085 3.287 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.006 11.870 2.046 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.411 12.416 2.201 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.577 13.653 2.143 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.347 11.609 2.382 1.00 0.00 O ATOM 0 H GLU A 74 -12.733 11.920 5.310 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.265 10.134 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.777 11.942 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.809 13.118 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.526 12.350 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.057 10.804 1.825 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.625 10.684 1.391 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.642 10.960 0.349 1.00 0.00 C ATOM 1104 C ASP A 75 -9.260 11.193 0.953 1.00 0.00 C ATOM 1105 O ASP A 75 -8.603 12.194 0.661 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.069 12.178 -0.472 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.247 11.881 -1.378 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.081 11.090 -2.331 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.339 12.437 -1.135 1.00 0.00 O ATOM 0 H ASP A 75 -12.072 9.770 1.317 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.588 10.091 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.330 12.994 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.228 12.519 -1.075 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.823 10.263 1.795 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.518 10.368 2.439 1.00 0.00 C ATOM 1116 C CYS A 76 -6.726 9.074 2.283 1.00 0.00 C ATOM 1117 O CYS A 76 -5.546 9.096 1.932 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.685 10.700 3.923 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.031 12.444 4.254 1.00 0.00 S ATOM 0 H CYS A 76 -9.352 9.429 2.048 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.965 11.171 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.496 10.096 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.777 10.414 4.453 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.744 12.716 5.493 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.381 7.948 2.545 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.722 6.661 2.429 1.00 0.00 C ATOM 1127 C GLY A 77 -6.363 6.317 0.997 1.00 0.00 C ATOM 1128 O GLY A 77 -7.125 6.604 0.073 1.00 0.00 O ATOM 0 H GLY A 77 -8.358 7.904 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.817 6.665 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.373 5.886 2.833 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.200 5.701 0.812 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.743 5.317 -0.519 1.00 0.00 C ATOM 1134 C VAL A 78 -3.730 4.179 -0.445 1.00 0.00 C ATOM 1135 O VAL A 78 -2.883 4.145 0.447 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.105 6.507 -1.259 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.152 7.563 -1.577 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.970 7.101 -0.438 1.00 0.00 C ATOM 0 H VAL A 78 -4.557 5.457 1.566 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.622 4.984 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.691 6.145 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.682 8.396 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.927 7.129 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.599 7.923 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.532 7.941 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.357 7.447 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.207 6.341 -0.268 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.823 3.248 -1.390 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.915 2.109 -1.432 1.00 0.00 C ATOM 1150 C PHE A 79 -1.968 2.212 -2.624 1.00 0.00 C ATOM 1151 O PHE A 79 -2.391 2.510 -3.740 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.705 0.800 -1.507 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.972 0.181 -0.164 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.926 -0.259 0.632 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.270 0.039 0.301 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.170 -0.829 1.867 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.519 -0.532 1.535 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.468 -0.966 2.319 1.00 0.00 C ATOM 0 H PHE A 79 -4.518 3.261 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.323 2.116 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.655 0.987 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.155 0.088 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.909 -0.155 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.096 0.378 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.346 -1.167 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.535 -0.639 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.661 -1.412 3.284 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.685 1.965 -2.378 1.00 0.00 N ATOM 1169 CA VAL A 80 0.321 2.031 -3.431 1.00 0.00 C ATOM 1170 C VAL A 80 1.545 1.193 -3.074 1.00 0.00 C ATOM 1171 O VAL A 80 1.808 0.930 -1.901 1.00 0.00 O ATOM 1172 CB VAL A 80 0.764 3.481 -3.695 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.371 4.283 -4.315 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.247 4.134 -2.410 1.00 0.00 C ATOM 0 H VAL A 80 -0.318 1.717 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.139 1.631 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 80 1.594 3.464 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.038 5.305 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.665 3.826 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.223 4.293 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.556 5.159 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.439 4.139 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.093 3.573 -2.012 1.00 0.00 H new ATOM 1184 N ALA A 81 2.290 0.780 -4.093 1.00 0.00 N ATOM 1185 CA ALA A 81 3.486 -0.029 -3.887 1.00 0.00 C ATOM 1186 C ALA A 81 4.594 0.788 -3.230 1.00 0.00 C ATOM 1187 O ALA A 81 4.637 2.011 -3.359 1.00 0.00 O ATOM 1188 CB ALA A 81 3.966 -0.607 -5.210 1.00 0.00 C ATOM 0 H ALA A 81 2.087 0.992 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 81 3.230 -0.850 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.859 -1.209 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.183 -1.232 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.200 0.205 -5.898 1.00 0.00 H new ATOM 1194 N LEU A 82 5.491 0.101 -2.526 1.00 0.00 N ATOM 1195 CA LEU A 82 6.603 0.762 -1.848 1.00 0.00 C ATOM 1196 C LEU A 82 7.342 1.697 -2.799 1.00 0.00 C ATOM 1197 O LEU A 82 7.675 2.827 -2.442 1.00 0.00 O ATOM 1198 CB LEU A 82 7.573 -0.277 -1.282 1.00 0.00 C ATOM 1199 CG LEU A 82 8.674 0.287 -0.383 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.203 0.349 1.061 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.938 -0.553 -0.497 1.00 0.00 C ATOM 0 H LEU A 82 5.469 -0.912 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 82 6.195 1.354 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.003 -1.013 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.039 -0.807 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 82 8.903 1.300 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.999 0.753 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.326 0.992 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.946 -0.653 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.711 -0.137 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.723 -1.577 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.287 -0.547 -1.530 1.00 0.00 H new ATOM 1213 N ASP A 83 7.586 1.221 -4.017 1.00 0.00 N ATOM 1214 CA ASP A 83 8.277 2.016 -5.024 1.00 0.00 C ATOM 1215 C ASP A 83 7.546 3.334 -5.261 1.00 0.00 C ATOM 1216 O ASP A 83 8.157 4.336 -5.635 1.00 0.00 O ATOM 1217 CB ASP A 83 8.386 1.236 -6.335 1.00 0.00 C ATOM 1218 CG ASP A 83 7.051 0.679 -6.789 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.672 -0.414 -6.316 1.00 0.00 O ATOM 1220 OD2 ASP A 83 6.385 1.334 -7.617 1.00 0.00 O ATOM 0 H ASP A 83 7.315 0.289 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 83 9.280 2.234 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.787 1.889 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.095 0.417 -6.210 1.00 0.00 H new ATOM 1225 N LYS A 84 6.236 3.324 -5.037 1.00 0.00 N ATOM 1226 CA LYS A 84 5.422 4.520 -5.221 1.00 0.00 C ATOM 1227 C LYS A 84 5.555 5.455 -4.023 1.00 0.00 C ATOM 1228 O LYS A 84 5.391 6.669 -4.149 1.00 0.00 O ATOM 1229 CB LYS A 84 3.954 4.138 -5.424 1.00 0.00 C ATOM 1230 CG LYS A 84 3.747 3.041 -6.456 1.00 0.00 C ATOM 1231 CD LYS A 84 2.503 3.290 -7.293 1.00 0.00 C ATOM 1232 CE LYS A 84 1.877 1.986 -7.763 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.844 1.148 -8.524 1.00 0.00 N ATOM 0 H LYS A 84 5.716 2.502 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 84 5.780 5.041 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.537 3.812 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.396 5.023 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.619 2.984 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.661 2.078 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.776 3.853 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.761 3.903 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.512 1.427 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.013 2.204 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.346 0.336 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.275 1.716 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.587 0.806 -7.882 1.00 0.00 H new ATOM 1247 N LEU A 85 5.856 4.882 -2.861 1.00 0.00 N ATOM 1248 CA LEU A 85 6.012 5.666 -1.641 1.00 0.00 C ATOM 1249 C LEU A 85 7.393 6.308 -1.580 1.00 0.00 C ATOM 1250 O LEU A 85 8.355 5.791 -2.148 1.00 0.00 O ATOM 1251 CB LEU A 85 5.792 4.784 -0.410 1.00 0.00 C ATOM 1252 CG LEU A 85 4.406 4.145 -0.311 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.313 3.262 0.922 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.327 5.216 -0.285 1.00 0.00 C ATOM 0 H LEU A 85 5.996 3.879 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 85 5.263 6.458 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.541 3.992 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.963 5.384 0.484 1.00 0.00 H new ATOM 0 HG LEU A 85 4.250 3.521 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.320 2.816 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.063 2.473 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.490 3.863 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.347 4.744 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.480 5.866 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.380 5.808 -1.199 1.00 0.00 H new ATOM 1266 N GLU A 86 7.486 7.439 -0.887 1.00 0.00 N ATOM 1267 CA GLU A 86 8.751 8.152 -0.753 1.00 0.00 C ATOM 1268 C GLU A 86 9.096 8.375 0.717 1.00 0.00 C ATOM 1269 O GLU A 86 8.467 9.186 1.396 1.00 0.00 O ATOM 1270 CB GLU A 86 8.685 9.495 -1.483 1.00 0.00 C ATOM 1271 CG GLU A 86 9.998 9.899 -2.134 1.00 0.00 C ATOM 1272 CD GLU A 86 9.894 11.209 -2.888 1.00 0.00 C ATOM 1273 OE1 GLU A 86 8.822 11.478 -3.469 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.887 11.967 -2.899 1.00 0.00 O ATOM 0 H GLU A 86 6.700 7.881 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 86 9.533 7.541 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.910 9.446 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.386 10.269 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.768 9.985 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.317 9.114 -2.819 1.00 0.00 H new ATOM 1281 N LEU A 87 10.099 7.650 1.201 1.00 0.00 N ATOM 1282 CA LEU A 87 10.527 7.769 2.590 1.00 0.00 C ATOM 1283 C LEU A 87 10.977 9.192 2.901 1.00 0.00 C ATOM 1284 O LEU A 87 11.859 9.736 2.235 1.00 0.00 O ATOM 1285 CB LEU A 87 11.666 6.789 2.880 1.00 0.00 C ATOM 1286 CG LEU A 87 11.994 6.597 4.362 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.759 6.147 5.128 1.00 0.00 C ATOM 1288 CD2 LEU A 87 13.124 5.593 4.530 1.00 0.00 C ATOM 0 H LEU A 87 10.630 6.974 0.652 1.00 0.00 H new ATOM 0 HA LEU A 87 9.676 7.528 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.409 5.820 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.563 7.136 2.367 1.00 0.00 H new ATOM 0 HG LEU A 87 12.320 7.553 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.011 6.016 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.978 6.901 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.402 5.202 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.345 5.468 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.825 4.634 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.013 5.956 4.014 1.00 0.00 H new ATOM 1300 N ILE A 88 10.365 9.792 3.918 1.00 0.00 N ATOM 1301 CA ILE A 88 10.702 11.152 4.318 1.00 0.00 C ATOM 1302 C ILE A 88 11.378 11.171 5.685 1.00 0.00 C ATOM 1303 O ILE A 88 10.973 10.453 6.598 1.00 0.00 O ATOM 1304 CB ILE A 88 9.452 12.051 4.365 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.637 11.897 3.080 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.853 13.504 4.572 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.343 12.682 3.088 1.00 0.00 C ATOM 0 H ILE A 88 9.633 9.357 4.479 1.00 0.00 H new ATOM 0 HA ILE A 88 11.391 11.540 3.568 1.00 0.00 H new ATOM 0 HB ILE A 88 8.831 11.741 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.243 12.220 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.412 10.842 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.959 14.127 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.396 13.601 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.491 13.826 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.817 12.526 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.717 12.343 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.562 13.743 3.210 1.00 0.00 H new