USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 TYR OH : rot 180:sc= -1.37 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.26 K(o=-2.6,f=2) USER MOD Set 2.1: A 49 GLN : amide:sc= -2.26 X(o=-2,f=-1.8!) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.238 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.11) USER MOD Single : A 57 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.888 K(o=-0.89,f=-5!) USER MOD Single : A 66 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.3!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.4! K(o=-3.4!,f=-2.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -1.141 -11.684 -13.890 1.00 0.00 N ATOM 46 CA GLN A 49 -1.539 -10.977 -15.144 1.00 0.00 C ATOM 47 C GLN A 49 -0.562 -9.836 -15.448 1.00 0.00 C ATOM 48 O GLN A 49 -0.916 -8.857 -16.073 1.00 0.00 O ATOM 49 CB GLN A 49 -2.935 -10.427 -14.862 1.00 0.00 C ATOM 50 CG GLN A 49 -3.973 -11.524 -15.096 1.00 0.00 C ATOM 51 CD GLN A 49 -5.267 -11.170 -14.360 1.00 0.00 C ATOM 52 OE1 GLN A 49 -5.880 -12.018 -13.743 1.00 0.00 O ATOM 53 NE2 GLN A 49 -5.709 -9.943 -14.400 1.00 0.00 N ATOM 0 HA GLN A 49 -1.528 -11.639 -16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.995 -10.068 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.139 -9.575 -15.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.168 -11.633 -16.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.591 -12.482 -14.742 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.193 -9.232 -14.918 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.570 -9.695 -13.913 1.00 0.00 H new ATOM 62 N CYS A 50 0.666 -9.961 -15.008 1.00 0.00 N ATOM 63 CA CYS A 50 1.675 -8.891 -15.267 1.00 0.00 C ATOM 64 C CYS A 50 2.748 -9.383 -16.250 1.00 0.00 C ATOM 65 O CYS A 50 3.477 -8.594 -16.823 1.00 0.00 O ATOM 66 CB CYS A 50 2.296 -8.594 -13.902 1.00 0.00 C ATOM 67 SG CYS A 50 3.445 -7.203 -14.050 1.00 0.00 S ATOM 0 H CYS A 50 1.013 -10.761 -14.479 1.00 0.00 H new ATOM 0 HA CYS A 50 1.224 -8.006 -15.715 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.515 -8.359 -13.179 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.820 -9.474 -13.530 1.00 0.00 H new ATOM 72 N ALA A 51 2.855 -10.676 -16.448 1.00 0.00 N ATOM 73 CA ALA A 51 3.888 -11.215 -17.392 1.00 0.00 C ATOM 74 C ALA A 51 3.712 -10.622 -18.797 1.00 0.00 C ATOM 75 O ALA A 51 4.629 -10.640 -19.599 1.00 0.00 O ATOM 76 CB ALA A 51 3.654 -12.728 -17.422 1.00 0.00 C ATOM 0 H ALA A 51 2.272 -11.381 -15.997 1.00 0.00 H new ATOM 0 HA ALA A 51 4.897 -10.959 -17.070 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.374 -13.194 -18.094 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.777 -13.135 -16.418 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.643 -12.933 -17.775 1.00 0.00 H new ATOM 82 N SER A 52 2.548 -10.101 -19.105 1.00 0.00 N ATOM 83 CA SER A 52 2.323 -9.514 -20.460 1.00 0.00 C ATOM 84 C SER A 52 2.695 -8.023 -20.486 1.00 0.00 C ATOM 85 O SER A 52 2.362 -7.314 -21.418 1.00 0.00 O ATOM 86 CB SER A 52 0.828 -9.693 -20.722 1.00 0.00 C ATOM 87 OG SER A 52 0.595 -10.999 -21.232 1.00 0.00 O ATOM 0 H SER A 52 1.746 -10.058 -18.476 1.00 0.00 H new ATOM 0 HA SER A 52 2.940 -9.998 -21.217 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.265 -9.544 -19.801 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.479 -8.944 -21.433 1.00 0.00 H new ATOM 0 HG SER A 52 -0.363 -11.119 -21.400 1.00 0.00 H new ATOM 93 N SER A 53 3.386 -7.538 -19.477 1.00 0.00 N ATOM 94 CA SER A 53 3.787 -6.091 -19.444 1.00 0.00 C ATOM 95 C SER A 53 2.576 -5.174 -19.711 1.00 0.00 C ATOM 96 O SER A 53 2.615 -4.352 -20.607 1.00 0.00 O ATOM 97 CB SER A 53 4.831 -5.943 -20.554 1.00 0.00 C ATOM 98 OG SER A 53 5.830 -6.942 -20.394 1.00 0.00 O ATOM 0 H SER A 53 3.691 -8.085 -18.672 1.00 0.00 H new ATOM 0 HA SER A 53 4.179 -5.803 -18.469 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.357 -6.040 -21.531 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.282 -4.951 -20.515 1.00 0.00 H new ATOM 0 HG SER A 53 6.500 -6.852 -21.104 1.00 0.00 H new ATOM 104 N PRO A 54 1.533 -5.337 -18.925 1.00 0.00 N ATOM 105 CA PRO A 54 0.322 -4.499 -19.106 1.00 0.00 C ATOM 106 C PRO A 54 0.581 -3.070 -18.618 1.00 0.00 C ATOM 107 O PRO A 54 -0.024 -2.125 -19.089 1.00 0.00 O ATOM 108 CB PRO A 54 -0.727 -5.187 -18.235 1.00 0.00 C ATOM 109 CG PRO A 54 0.055 -5.926 -17.196 1.00 0.00 C ATOM 110 CD PRO A 54 1.377 -6.295 -17.817 1.00 0.00 C ATOM 0 HA PRO A 54 0.014 -4.414 -20.148 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.400 -4.460 -17.780 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.343 -5.867 -18.823 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.204 -5.306 -16.312 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.481 -6.818 -16.872 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.192 -6.210 -17.099 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.375 -7.324 -18.177 1.00 0.00 H new ATOM 118 N CYS A 55 1.476 -2.909 -17.676 1.00 0.00 N ATOM 119 CA CYS A 55 1.781 -1.544 -17.149 1.00 0.00 C ATOM 120 C CYS A 55 2.863 -0.879 -18.007 1.00 0.00 C ATOM 121 O CYS A 55 3.435 -1.501 -18.882 1.00 0.00 O ATOM 122 CB CYS A 55 2.274 -1.776 -15.719 1.00 0.00 C ATOM 123 SG CYS A 55 0.930 -2.495 -14.737 1.00 0.00 S ATOM 0 H CYS A 55 2.010 -3.666 -17.248 1.00 0.00 H new ATOM 0 HA CYS A 55 0.916 -0.881 -17.172 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.136 -2.443 -15.722 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.601 -0.835 -15.277 1.00 0.00 H new ATOM 128 N GLN A 56 3.135 0.383 -17.774 1.00 0.00 N ATOM 129 CA GLN A 56 4.170 1.089 -18.592 1.00 0.00 C ATOM 130 C GLN A 56 4.961 2.087 -17.738 1.00 0.00 C ATOM 131 O GLN A 56 4.915 2.058 -16.524 1.00 0.00 O ATOM 132 CB GLN A 56 3.371 1.828 -19.669 1.00 0.00 C ATOM 133 CG GLN A 56 4.136 1.800 -21.001 1.00 0.00 C ATOM 134 CD GLN A 56 3.272 1.149 -22.085 1.00 0.00 C ATOM 135 OE1 GLN A 56 3.226 1.618 -23.205 1.00 0.00 O ATOM 136 NE2 GLN A 56 2.581 0.080 -21.797 1.00 0.00 N ATOM 0 H GLN A 56 2.687 0.952 -17.056 1.00 0.00 H new ATOM 0 HA GLN A 56 4.900 0.397 -19.011 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.393 1.363 -19.792 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.197 2.859 -19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.404 2.814 -21.298 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.067 1.245 -20.884 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.619 -0.314 -20.857 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.003 -0.361 -22.512 1.00 0.00 H new ATOM 145 N ASN A 57 5.687 2.972 -18.379 1.00 0.00 N ATOM 146 CA ASN A 57 6.497 3.994 -17.638 1.00 0.00 C ATOM 147 C ASN A 57 7.417 3.329 -16.606 1.00 0.00 C ATOM 148 O ASN A 57 7.818 3.944 -15.636 1.00 0.00 O ATOM 149 CB ASN A 57 5.478 4.905 -16.949 1.00 0.00 C ATOM 150 CG ASN A 57 4.936 5.916 -17.963 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.663 6.387 -18.815 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.682 6.272 -17.906 1.00 0.00 N ATOM 0 H ASN A 57 5.754 3.031 -19.395 1.00 0.00 H new ATOM 0 HA ASN A 57 7.147 4.551 -18.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.661 4.311 -16.538 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.945 5.426 -16.113 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.312 6.946 -18.577 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.072 5.877 -17.191 1.00 0.00 H new ATOM 159 N GLY A 58 7.759 2.081 -16.813 1.00 0.00 N ATOM 160 CA GLY A 58 8.661 1.372 -15.854 1.00 0.00 C ATOM 161 C GLY A 58 8.034 1.357 -14.458 1.00 0.00 C ATOM 162 O GLY A 58 8.728 1.329 -13.459 1.00 0.00 O ATOM 0 H GLY A 58 7.451 1.521 -17.608 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.836 0.351 -16.194 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.631 1.868 -15.820 1.00 0.00 H new ATOM 166 N GLY A 59 6.727 1.374 -14.382 1.00 0.00 N ATOM 167 CA GLY A 59 6.049 1.359 -13.052 1.00 0.00 C ATOM 168 C GLY A 59 6.399 0.063 -12.318 1.00 0.00 C ATOM 169 O GLY A 59 6.860 -0.890 -12.916 1.00 0.00 O ATOM 0 H GLY A 59 6.100 1.398 -15.186 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.362 2.220 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.969 1.437 -13.181 1.00 0.00 H new ATOM 173 N SER A 60 6.183 0.023 -11.028 1.00 0.00 N ATOM 174 CA SER A 60 6.502 -1.213 -10.250 1.00 0.00 C ATOM 175 C SER A 60 5.286 -2.141 -10.225 1.00 0.00 C ATOM 176 O SER A 60 4.313 -1.883 -9.544 1.00 0.00 O ATOM 177 CB SER A 60 6.842 -0.723 -8.844 1.00 0.00 C ATOM 178 OG SER A 60 8.180 -0.244 -8.829 1.00 0.00 O ATOM 0 H SER A 60 5.800 0.793 -10.479 1.00 0.00 H new ATOM 0 HA SER A 60 7.325 -1.780 -10.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.156 0.070 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.725 -1.534 -8.125 1.00 0.00 H new ATOM 0 HG SER A 60 8.404 0.074 -7.929 1.00 0.00 H new ATOM 183 N CYS A 61 5.337 -3.216 -10.971 1.00 0.00 N ATOM 184 CA CYS A 61 4.186 -4.166 -11.010 1.00 0.00 C ATOM 185 C CYS A 61 4.331 -5.236 -9.925 1.00 0.00 C ATOM 186 O CYS A 61 5.420 -5.532 -9.472 1.00 0.00 O ATOM 187 CB CYS A 61 4.251 -4.801 -12.400 1.00 0.00 C ATOM 188 SG CYS A 61 2.828 -5.894 -12.640 1.00 0.00 S ATOM 0 H CYS A 61 6.130 -3.477 -11.557 1.00 0.00 H new ATOM 0 HA CYS A 61 3.235 -3.666 -10.828 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.258 -4.024 -13.165 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.177 -5.365 -12.510 1.00 0.00 H new ATOM 193 N LYS A 62 3.234 -5.816 -9.513 1.00 0.00 N ATOM 194 CA LYS A 62 3.283 -6.873 -8.461 1.00 0.00 C ATOM 195 C LYS A 62 2.135 -7.865 -8.667 1.00 0.00 C ATOM 196 O LYS A 62 1.022 -7.481 -8.978 1.00 0.00 O ATOM 197 CB LYS A 62 3.118 -6.123 -7.136 1.00 0.00 C ATOM 198 CG LYS A 62 4.065 -6.714 -6.090 1.00 0.00 C ATOM 199 CD LYS A 62 3.415 -6.635 -4.708 1.00 0.00 C ATOM 200 CE LYS A 62 4.463 -6.926 -3.632 1.00 0.00 C ATOM 201 NZ LYS A 62 4.041 -6.115 -2.456 1.00 0.00 N ATOM 0 H LYS A 62 2.300 -5.601 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 62 4.210 -7.446 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.332 -5.064 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.087 -6.197 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.294 -7.751 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.009 -6.170 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.985 -5.646 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.598 -7.353 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.495 -7.988 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.462 -6.646 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.712 -6.261 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.026 -5.108 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.090 -6.409 -2.155 1.00 0.00 H new ATOM 215 N ASP A 63 2.398 -9.136 -8.496 1.00 0.00 N ATOM 216 CA ASP A 63 1.327 -10.161 -8.682 1.00 0.00 C ATOM 217 C ASP A 63 0.417 -10.201 -7.450 1.00 0.00 C ATOM 218 O ASP A 63 0.882 -10.206 -6.326 1.00 0.00 O ATOM 219 CB ASP A 63 2.069 -11.491 -8.847 1.00 0.00 C ATOM 220 CG ASP A 63 2.077 -11.900 -10.321 1.00 0.00 C ATOM 221 OD1 ASP A 63 1.015 -11.901 -10.921 1.00 0.00 O ATOM 222 OD2 ASP A 63 3.145 -12.205 -10.826 1.00 0.00 O ATOM 0 H ASP A 63 3.311 -9.509 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 63 0.692 -9.943 -9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.091 -11.396 -8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.587 -12.264 -8.248 1.00 0.00 H new ATOM 227 N GLN A 64 -0.875 -10.231 -7.659 1.00 0.00 N ATOM 228 CA GLN A 64 -1.826 -10.271 -6.507 1.00 0.00 C ATOM 229 C GLN A 64 -3.017 -11.174 -6.837 1.00 0.00 C ATOM 230 O GLN A 64 -3.009 -11.890 -7.821 1.00 0.00 O ATOM 231 CB GLN A 64 -2.283 -8.824 -6.322 1.00 0.00 C ATOM 232 CG GLN A 64 -1.212 -8.043 -5.558 1.00 0.00 C ATOM 233 CD GLN A 64 -1.275 -8.406 -4.074 1.00 0.00 C ATOM 234 OE1 GLN A 64 -1.713 -9.481 -3.717 1.00 0.00 O ATOM 235 NE2 GLN A 64 -0.855 -7.547 -3.186 1.00 0.00 N ATOM 0 H GLN A 64 -1.313 -10.230 -8.580 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.366 -10.671 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.462 -8.361 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.226 -8.797 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.225 -8.274 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.366 -6.972 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.487 -6.644 -3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.895 -7.779 -2.193 1.00 0.00 H new ATOM 244 N LEU A 65 -4.040 -11.142 -6.020 1.00 0.00 N ATOM 245 CA LEU A 65 -5.239 -11.996 -6.281 1.00 0.00 C ATOM 246 C LEU A 65 -6.046 -11.431 -7.453 1.00 0.00 C ATOM 247 O LEU A 65 -6.016 -10.247 -7.720 1.00 0.00 O ATOM 248 CB LEU A 65 -6.059 -11.942 -4.990 1.00 0.00 C ATOM 249 CG LEU A 65 -5.711 -13.145 -4.113 1.00 0.00 C ATOM 250 CD1 LEU A 65 -4.510 -12.802 -3.229 1.00 0.00 C ATOM 251 CD2 LEU A 65 -6.910 -13.495 -3.228 1.00 0.00 C ATOM 0 H LEU A 65 -4.097 -10.561 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.966 -13.017 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.852 -11.016 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.124 -11.944 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.465 -13.997 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.262 -13.660 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.655 -12.552 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.756 -11.950 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.662 -14.353 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.156 -12.643 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.767 -13.739 -3.856 1.00 0.00 H new ATOM 263 N GLN A 66 -6.769 -12.276 -8.149 1.00 0.00 N ATOM 264 CA GLN A 66 -7.592 -11.816 -9.317 1.00 0.00 C ATOM 265 C GLN A 66 -6.713 -11.096 -10.355 1.00 0.00 C ATOM 266 O GLN A 66 -6.242 -11.707 -11.296 1.00 0.00 O ATOM 267 CB GLN A 66 -8.657 -10.875 -8.734 1.00 0.00 C ATOM 268 CG GLN A 66 -9.876 -11.691 -8.298 1.00 0.00 C ATOM 269 CD GLN A 66 -10.888 -11.750 -9.444 1.00 0.00 C ATOM 270 OE1 GLN A 66 -10.953 -10.851 -10.259 1.00 0.00 O ATOM 271 NE2 GLN A 66 -11.687 -12.777 -9.541 1.00 0.00 N ATOM 0 H GLN A 66 -6.826 -13.276 -7.957 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.053 -12.654 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.249 -10.329 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.949 -10.134 -9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.570 -12.699 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.333 -11.239 -7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.633 -13.532 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.366 -12.825 -10.301 1.00 0.00 H new ATOM 280 N SER A 67 -6.485 -9.812 -10.198 1.00 0.00 N ATOM 281 CA SER A 67 -5.637 -9.071 -11.179 1.00 0.00 C ATOM 282 C SER A 67 -4.281 -8.730 -10.555 1.00 0.00 C ATOM 283 O SER A 67 -3.873 -9.326 -9.575 1.00 0.00 O ATOM 284 CB SER A 67 -6.419 -7.797 -11.494 1.00 0.00 C ATOM 285 OG SER A 67 -5.763 -7.091 -12.541 1.00 0.00 O ATOM 0 H SER A 67 -6.851 -9.248 -9.431 1.00 0.00 H new ATOM 0 HA SER A 67 -5.434 -9.657 -12.076 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.438 -8.046 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.489 -7.170 -10.605 1.00 0.00 H new ATOM 0 HG SER A 67 -6.262 -6.273 -12.747 1.00 0.00 H new ATOM 291 N TYR A 68 -3.584 -7.774 -11.116 1.00 0.00 N ATOM 292 CA TYR A 68 -2.252 -7.386 -10.561 1.00 0.00 C ATOM 293 C TYR A 68 -2.300 -5.959 -10.013 1.00 0.00 C ATOM 294 O TYR A 68 -3.357 -5.369 -9.887 1.00 0.00 O ATOM 295 CB TYR A 68 -1.274 -7.490 -11.739 1.00 0.00 C ATOM 296 CG TYR A 68 -1.710 -6.572 -12.861 1.00 0.00 C ATOM 297 CD1 TYR A 68 -1.344 -5.221 -12.841 1.00 0.00 C ATOM 298 CD2 TYR A 68 -2.478 -7.074 -13.918 1.00 0.00 C ATOM 299 CE1 TYR A 68 -1.746 -4.371 -13.879 1.00 0.00 C ATOM 300 CE2 TYR A 68 -2.880 -6.225 -14.956 1.00 0.00 C ATOM 301 CZ TYR A 68 -2.514 -4.873 -14.937 1.00 0.00 C ATOM 302 OH TYR A 68 -2.911 -4.037 -15.960 1.00 0.00 O ATOM 0 H TYR A 68 -3.881 -7.245 -11.936 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.949 -8.028 -9.734 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.269 -7.224 -11.412 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.231 -8.519 -12.096 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.752 -4.834 -12.025 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.760 -8.116 -13.933 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.464 -3.329 -13.864 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.472 -6.613 -15.772 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.436 -4.545 -16.613 1.00 0.00 H new ATOM 312 N ILE A 69 -1.161 -5.408 -9.680 1.00 0.00 N ATOM 313 CA ILE A 69 -1.132 -4.023 -9.128 1.00 0.00 C ATOM 314 C ILE A 69 0.185 -3.329 -9.494 1.00 0.00 C ATOM 315 O ILE A 69 1.258 -3.831 -9.214 1.00 0.00 O ATOM 316 CB ILE A 69 -1.264 -4.218 -7.615 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.319 -2.854 -6.920 1.00 0.00 C ATOM 318 CG2 ILE A 69 -0.071 -5.019 -7.078 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.310 -2.919 -5.756 1.00 0.00 C ATOM 0 H ILE A 69 -0.250 -5.859 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.924 -3.389 -9.527 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.183 -4.768 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.329 -2.579 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.623 -2.084 -7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.176 -5.151 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.041 -5.995 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.853 -4.481 -7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.352 -1.950 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.299 -3.176 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.986 -3.678 -5.044 1.00 0.00 H new ATOM 331 N CYS A 70 0.108 -2.181 -10.118 1.00 0.00 N ATOM 332 CA CYS A 70 1.352 -1.450 -10.507 1.00 0.00 C ATOM 333 C CYS A 70 1.442 -0.107 -9.782 1.00 0.00 C ATOM 334 O CYS A 70 0.536 0.703 -9.840 1.00 0.00 O ATOM 335 CB CYS A 70 1.233 -1.226 -12.014 1.00 0.00 C ATOM 336 SG CYS A 70 1.717 -2.731 -12.893 1.00 0.00 S ATOM 0 H CYS A 70 -0.764 -1.718 -10.375 1.00 0.00 H new ATOM 0 HA CYS A 70 2.247 -2.013 -10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.209 -0.956 -12.272 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.868 -0.395 -12.319 1.00 0.00 H new ATOM 341 N PHE A 71 2.539 0.137 -9.113 1.00 0.00 N ATOM 342 CA PHE A 71 2.711 1.434 -8.394 1.00 0.00 C ATOM 343 C PHE A 71 3.359 2.450 -9.335 1.00 0.00 C ATOM 344 O PHE A 71 4.541 2.374 -9.623 1.00 0.00 O ATOM 345 CB PHE A 71 3.635 1.122 -7.215 1.00 0.00 C ATOM 346 CG PHE A 71 2.968 0.122 -6.301 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.128 0.564 -5.272 1.00 0.00 C ATOM 348 CD2 PHE A 71 3.191 -1.249 -6.482 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.511 -0.364 -4.425 1.00 0.00 C ATOM 350 CE2 PHE A 71 2.575 -2.176 -5.634 1.00 0.00 C ATOM 351 CZ PHE A 71 1.734 -1.734 -4.606 1.00 0.00 C ATOM 0 H PHE A 71 3.325 -0.508 -9.034 1.00 0.00 H new ATOM 0 HA PHE A 71 1.765 1.857 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.582 0.723 -7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.863 2.036 -6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.956 1.621 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.838 -1.591 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.863 -0.023 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.748 -3.233 -5.773 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.257 -2.450 -3.953 1.00 0.00 H new ATOM 361 N CYS A 72 2.593 3.389 -9.829 1.00 0.00 N ATOM 362 CA CYS A 72 3.157 4.406 -10.768 1.00 0.00 C ATOM 363 C CYS A 72 4.093 5.357 -10.017 1.00 0.00 C ATOM 364 O CYS A 72 4.189 5.319 -8.805 1.00 0.00 O ATOM 365 CB CYS A 72 1.953 5.180 -11.327 1.00 0.00 C ATOM 366 SG CYS A 72 0.730 4.053 -12.069 1.00 0.00 S ATOM 0 H CYS A 72 1.600 3.496 -9.622 1.00 0.00 H new ATOM 0 HA CYS A 72 3.736 3.938 -11.564 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.484 5.754 -10.528 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.293 5.895 -12.076 1.00 0.00 H new ATOM 371 N LEU A 73 4.778 6.210 -10.734 1.00 0.00 N ATOM 372 CA LEU A 73 5.709 7.175 -10.076 1.00 0.00 C ATOM 373 C LEU A 73 4.934 8.417 -9.611 1.00 0.00 C ATOM 374 O LEU A 73 3.788 8.592 -9.977 1.00 0.00 O ATOM 375 CB LEU A 73 6.720 7.545 -11.163 1.00 0.00 C ATOM 376 CG LEU A 73 7.889 6.558 -11.133 1.00 0.00 C ATOM 377 CD1 LEU A 73 8.717 6.707 -12.410 1.00 0.00 C ATOM 378 CD2 LEU A 73 8.771 6.850 -9.917 1.00 0.00 C ATOM 0 H LEU A 73 4.732 6.280 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 73 6.194 6.755 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.240 7.527 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.084 8.560 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 73 7.503 5.541 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.549 6.004 -12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.090 6.500 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.103 7.724 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.604 6.147 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.156 7.868 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.182 6.743 -9.006 1.00 0.00 H new ATOM 390 N PRO A 74 5.574 9.249 -8.817 1.00 0.00 N ATOM 391 CA PRO A 74 4.901 10.476 -8.319 1.00 0.00 C ATOM 392 C PRO A 74 4.624 11.442 -9.475 1.00 0.00 C ATOM 393 O PRO A 74 3.727 12.262 -9.405 1.00 0.00 O ATOM 394 CB PRO A 74 5.905 11.064 -7.328 1.00 0.00 C ATOM 395 CG PRO A 74 7.226 10.521 -7.761 1.00 0.00 C ATOM 396 CD PRO A 74 6.957 9.150 -8.319 1.00 0.00 C ATOM 0 HA PRO A 74 3.933 10.279 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.897 12.154 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.671 10.769 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.683 11.164 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.919 10.470 -6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.654 8.897 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.055 8.379 -7.555 1.00 0.00 H new ATOM 404 N ALA A 75 5.380 11.344 -10.541 1.00 0.00 N ATOM 405 CA ALA A 75 5.156 12.247 -11.708 1.00 0.00 C ATOM 406 C ALA A 75 4.419 11.496 -12.823 1.00 0.00 C ATOM 407 O ALA A 75 4.507 11.855 -13.983 1.00 0.00 O ATOM 408 CB ALA A 75 6.556 12.654 -12.168 1.00 0.00 C ATOM 0 H ALA A 75 6.143 10.676 -10.652 1.00 0.00 H new ATOM 0 HA ALA A 75 4.545 13.112 -11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.477 13.321 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.071 13.167 -11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.119 11.764 -12.450 1.00 0.00 H new ATOM 414 N PHE A 76 3.694 10.456 -12.482 1.00 0.00 N ATOM 415 CA PHE A 76 2.953 9.681 -13.522 1.00 0.00 C ATOM 416 C PHE A 76 1.532 9.371 -13.041 1.00 0.00 C ATOM 417 O PHE A 76 1.218 9.517 -11.874 1.00 0.00 O ATOM 418 CB PHE A 76 3.749 8.388 -13.696 1.00 0.00 C ATOM 419 CG PHE A 76 4.940 8.645 -14.587 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.136 9.122 -14.038 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.847 8.404 -15.962 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.240 9.357 -14.865 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.951 8.639 -16.789 1.00 0.00 C ATOM 424 CZ PHE A 76 7.148 9.115 -16.242 1.00 0.00 C ATOM 0 H PHE A 76 3.585 10.113 -11.528 1.00 0.00 H new ATOM 0 HA PHE A 76 2.860 10.233 -14.457 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.081 8.019 -12.725 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.116 7.615 -14.131 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.207 9.309 -12.977 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.924 8.037 -16.385 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.163 9.725 -14.442 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.879 8.453 -17.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.000 9.296 -16.881 1.00 0.00 H new ATOM 434 N GLU A 77 0.675 8.945 -13.933 1.00 0.00 N ATOM 435 CA GLU A 77 -0.729 8.621 -13.540 1.00 0.00 C ATOM 436 C GLU A 77 -1.290 7.519 -14.442 1.00 0.00 C ATOM 437 O GLU A 77 -0.624 7.045 -15.345 1.00 0.00 O ATOM 438 CB GLU A 77 -1.505 9.923 -13.736 1.00 0.00 C ATOM 439 CG GLU A 77 -2.551 10.067 -12.628 1.00 0.00 C ATOM 440 CD GLU A 77 -1.968 10.895 -11.480 1.00 0.00 C ATOM 441 OE1 GLU A 77 -1.919 12.106 -11.615 1.00 0.00 O ATOM 442 OE2 GLU A 77 -1.580 10.302 -10.487 1.00 0.00 O ATOM 0 H GLU A 77 0.888 8.807 -14.921 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.798 8.256 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.822 10.772 -13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.991 9.926 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.447 10.549 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.850 9.083 -12.266 1.00 0.00 H new ATOM 449 N GLY A 78 -2.511 7.111 -14.205 1.00 0.00 N ATOM 450 CA GLY A 78 -3.127 6.042 -15.044 1.00 0.00 C ATOM 451 C GLY A 78 -3.165 4.730 -14.258 1.00 0.00 C ATOM 452 O GLY A 78 -2.297 4.456 -13.450 1.00 0.00 O ATOM 0 H GLY A 78 -3.109 7.475 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.136 6.332 -15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.554 5.911 -15.962 1.00 0.00 H new ATOM 456 N ARG A 79 -4.166 3.918 -14.491 1.00 0.00 N ATOM 457 CA ARG A 79 -4.267 2.616 -13.760 1.00 0.00 C ATOM 458 C ARG A 79 -3.053 1.740 -14.076 1.00 0.00 C ATOM 459 O ARG A 79 -2.528 1.059 -13.216 1.00 0.00 O ATOM 460 CB ARG A 79 -5.550 1.960 -14.279 1.00 0.00 C ATOM 461 CG ARG A 79 -6.687 2.192 -13.281 1.00 0.00 C ATOM 462 CD ARG A 79 -8.007 1.711 -13.888 1.00 0.00 C ATOM 463 NE ARG A 79 -8.213 2.563 -15.100 1.00 0.00 N ATOM 464 CZ ARG A 79 -8.492 3.848 -14.998 1.00 0.00 C ATOM 465 NH1 ARG A 79 -8.809 4.391 -13.846 1.00 0.00 N ATOM 466 NH2 ARG A 79 -8.462 4.594 -16.069 1.00 0.00 N ATOM 0 H ARG A 79 -4.918 4.100 -15.156 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.291 2.753 -12.679 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.815 2.376 -15.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.391 0.891 -14.422 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.485 1.657 -12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.754 3.251 -13.030 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.957 0.655 -14.153 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.830 1.824 -13.182 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.136 2.141 -16.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.844 3.817 -13.004 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.021 5.387 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.225 4.182 -16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.676 5.589 -16.003 1.00 0.00 H new ATOM 480 N ASN A 80 -2.606 1.755 -15.307 1.00 0.00 N ATOM 481 CA ASN A 80 -1.424 0.927 -15.691 1.00 0.00 C ATOM 482 C ASN A 80 -0.177 1.809 -15.823 1.00 0.00 C ATOM 483 O ASN A 80 0.748 1.485 -16.541 1.00 0.00 O ATOM 484 CB ASN A 80 -1.794 0.314 -17.043 1.00 0.00 C ATOM 485 CG ASN A 80 -3.029 -0.575 -16.881 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.963 -0.483 -17.653 1.00 0.00 O ATOM 487 ND2 ASN A 80 -3.073 -1.440 -15.905 1.00 0.00 N ATOM 0 H ASN A 80 -3.010 2.307 -16.064 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.194 0.165 -14.946 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.993 1.102 -17.769 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.960 -0.272 -17.429 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.891 -2.038 -15.790 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.289 -1.518 -15.257 1.00 0.00 H new ATOM 494 N CYS A 81 -0.149 2.925 -15.132 1.00 0.00 N ATOM 495 CA CYS A 81 1.035 3.848 -15.206 1.00 0.00 C ATOM 496 C CYS A 81 1.357 4.195 -16.665 1.00 0.00 C ATOM 497 O CYS A 81 2.494 4.113 -17.093 1.00 0.00 O ATOM 498 CB CYS A 81 2.209 3.084 -14.571 1.00 0.00 C ATOM 499 SG CYS A 81 1.794 2.537 -12.887 1.00 0.00 S ATOM 0 H CYS A 81 -0.899 3.240 -14.516 1.00 0.00 H new ATOM 0 HA CYS A 81 0.838 4.786 -14.687 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.461 2.220 -15.186 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.091 3.724 -14.543 1.00 0.00 H new ATOM 504 N GLU A 82 0.366 4.580 -17.428 1.00 0.00 N ATOM 505 CA GLU A 82 0.610 4.931 -18.861 1.00 0.00 C ATOM 506 C GLU A 82 0.340 6.422 -19.107 1.00 0.00 C ATOM 507 O GLU A 82 0.090 6.834 -20.225 1.00 0.00 O ATOM 508 CB GLU A 82 -0.369 4.064 -19.661 1.00 0.00 C ATOM 509 CG GLU A 82 -1.808 4.358 -19.225 1.00 0.00 C ATOM 510 CD GLU A 82 -2.782 3.782 -20.255 1.00 0.00 C ATOM 511 OE1 GLU A 82 -2.678 2.601 -20.542 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.615 4.531 -20.738 1.00 0.00 O ATOM 0 H GLU A 82 -0.603 4.667 -17.121 1.00 0.00 H new ATOM 0 HA GLU A 82 1.644 4.750 -19.153 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.256 4.262 -20.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.142 3.009 -19.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.999 3.921 -18.245 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.958 5.433 -19.129 1.00 0.00 H new ATOM 519 N THR A 83 0.393 7.232 -18.077 1.00 0.00 N ATOM 520 CA THR A 83 0.142 8.693 -18.254 1.00 0.00 C ATOM 521 C THR A 83 1.316 9.502 -17.695 1.00 0.00 C ATOM 522 O THR A 83 1.975 9.088 -16.760 1.00 0.00 O ATOM 523 CB THR A 83 -1.131 8.976 -17.458 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.080 7.949 -17.705 1.00 0.00 O ATOM 525 CG2 THR A 83 -1.713 10.325 -17.884 1.00 0.00 C ATOM 0 H THR A 83 0.600 6.942 -17.121 1.00 0.00 H new ATOM 0 HA THR A 83 0.036 8.970 -19.303 1.00 0.00 H new ATOM 0 HB THR A 83 -0.895 9.005 -16.394 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.897 8.128 -17.194 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.621 10.525 -17.315 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.984 11.112 -17.693 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.949 10.300 -18.948 1.00 0.00 H new ATOM 533 N HIS A 84 1.579 10.651 -18.264 1.00 0.00 N ATOM 534 CA HIS A 84 2.710 11.495 -17.773 1.00 0.00 C ATOM 535 C HIS A 84 2.176 12.809 -17.198 1.00 0.00 C ATOM 536 O HIS A 84 2.097 13.810 -17.884 1.00 0.00 O ATOM 537 CB HIS A 84 3.569 11.762 -19.010 1.00 0.00 C ATOM 538 CG HIS A 84 5.020 11.796 -18.617 1.00 0.00 C ATOM 539 ND1 HIS A 84 5.906 10.790 -18.972 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.756 12.708 -17.901 1.00 0.00 C ATOM 541 CE1 HIS A 84 7.112 11.118 -18.473 1.00 0.00 C ATOM 542 NE2 HIS A 84 7.077 12.277 -17.811 1.00 0.00 N ATOM 0 H HIS A 84 1.058 11.042 -19.049 1.00 0.00 H new ATOM 0 HA HIS A 84 3.277 11.007 -16.980 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.402 10.985 -19.756 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.283 12.710 -19.467 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.369 13.621 -17.473 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.001 10.516 -18.593 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.851 12.746 -17.341 1.00 0.00 H new ATOM 550 N LYS A 85 1.809 12.810 -15.941 1.00 0.00 N ATOM 551 CA LYS A 85 1.278 14.056 -15.309 1.00 0.00 C ATOM 552 C LYS A 85 2.433 14.952 -14.854 1.00 0.00 C ATOM 553 O LYS A 85 2.509 16.111 -15.211 1.00 0.00 O ATOM 554 CB LYS A 85 0.464 13.576 -14.107 1.00 0.00 C ATOM 555 CG LYS A 85 -0.910 13.097 -14.579 1.00 0.00 C ATOM 556 CD LYS A 85 -1.708 14.284 -15.123 1.00 0.00 C ATOM 557 CE LYS A 85 -3.192 13.917 -15.186 1.00 0.00 C ATOM 558 NZ LYS A 85 -3.410 13.435 -16.578 1.00 0.00 N ATOM 0 H LYS A 85 1.854 11.999 -15.324 1.00 0.00 H new ATOM 0 HA LYS A 85 0.674 14.644 -16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.988 12.766 -13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.351 14.385 -13.385 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.796 12.338 -15.352 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.448 12.632 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.565 15.155 -14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.347 14.554 -16.115 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.439 13.145 -14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.822 14.778 -14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.407 13.164 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.173 14.193 -17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.803 12.610 -16.759 1.00 0.00 H new