USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 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 110:sc= -0.894 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.14 X(o=-1,f=-0.89) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 143:sc= 0.482 (180deg=0) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.261 K(o=0.74,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= -0.794 K(o=-0.79,f=-4.9!) USER MOD Single : A 52 SER OG : rot -50:sc= 1.11 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.54 K(o=0.54,f=-0.45) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.094 X(o=-0.094,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=-1.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -1.153 -12.239 -13.437 1.00 0.00 N ATOM 46 CA GLN A 49 -1.665 -11.422 -14.576 1.00 0.00 C ATOM 47 C GLN A 49 -0.617 -10.389 -15.000 1.00 0.00 C ATOM 48 O GLN A 49 -0.944 -9.329 -15.499 1.00 0.00 O ATOM 49 CB GLN A 49 -2.915 -10.727 -14.035 1.00 0.00 C ATOM 50 CG GLN A 49 -4.005 -11.769 -13.773 1.00 0.00 C ATOM 51 CD GLN A 49 -4.660 -12.169 -15.096 1.00 0.00 C ATOM 52 OE1 GLN A 49 -4.049 -12.075 -16.142 1.00 0.00 O ATOM 53 NE2 GLN A 49 -5.887 -12.614 -15.094 1.00 0.00 N ATOM 0 HA GLN A 49 -1.884 -12.030 -15.454 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.678 -10.194 -13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.270 -9.985 -14.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.575 -12.646 -13.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.754 -11.364 -13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.400 -12.693 -14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.333 -12.883 -15.971 1.00 0.00 H new ATOM 62 N CYS A 50 0.641 -10.695 -14.806 1.00 0.00 N ATOM 63 CA CYS A 50 1.720 -9.739 -15.196 1.00 0.00 C ATOM 64 C CYS A 50 2.808 -10.473 -15.986 1.00 0.00 C ATOM 65 O CYS A 50 3.988 -10.280 -15.763 1.00 0.00 O ATOM 66 CB CYS A 50 2.279 -9.208 -13.874 1.00 0.00 C ATOM 67 SG CYS A 50 3.449 -7.869 -14.210 1.00 0.00 S ATOM 0 H CYS A 50 0.967 -11.569 -14.393 1.00 0.00 H new ATOM 0 HA CYS A 50 1.352 -8.934 -15.831 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.467 -8.847 -13.242 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.775 -10.010 -13.328 1.00 0.00 H new ATOM 72 N ALA A 51 2.414 -11.316 -16.906 1.00 0.00 N ATOM 73 CA ALA A 51 3.415 -12.072 -17.717 1.00 0.00 C ATOM 74 C ALA A 51 3.948 -11.201 -18.859 1.00 0.00 C ATOM 75 O ALA A 51 5.050 -11.401 -19.336 1.00 0.00 O ATOM 76 CB ALA A 51 2.648 -13.273 -18.273 1.00 0.00 C ATOM 0 H ALA A 51 1.439 -11.514 -17.131 1.00 0.00 H new ATOM 0 HA ALA A 51 4.278 -12.375 -17.124 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.316 -13.881 -18.883 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.263 -13.873 -17.448 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.817 -12.922 -18.885 1.00 0.00 H new ATOM 82 N SER A 52 3.175 -10.240 -19.302 1.00 0.00 N ATOM 83 CA SER A 52 3.635 -9.357 -20.418 1.00 0.00 C ATOM 84 C SER A 52 3.783 -7.909 -19.936 1.00 0.00 C ATOM 85 O SER A 52 3.712 -6.979 -20.716 1.00 0.00 O ATOM 86 CB SER A 52 2.540 -9.458 -21.477 1.00 0.00 C ATOM 87 OG SER A 52 2.804 -8.524 -22.516 1.00 0.00 O ATOM 0 H SER A 52 2.245 -10.029 -18.939 1.00 0.00 H new ATOM 0 HA SER A 52 4.609 -9.659 -20.803 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.502 -10.469 -21.882 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.566 -9.257 -21.030 1.00 0.00 H new ATOM 0 HG SER A 52 2.974 -7.641 -22.127 1.00 0.00 H new ATOM 93 N SER A 53 3.991 -7.709 -18.654 1.00 0.00 N ATOM 94 CA SER A 53 4.149 -6.319 -18.109 1.00 0.00 C ATOM 95 C SER A 53 2.992 -5.411 -18.569 1.00 0.00 C ATOM 96 O SER A 53 3.121 -4.709 -19.552 1.00 0.00 O ATOM 97 CB SER A 53 5.480 -5.814 -18.671 1.00 0.00 C ATOM 98 OG SER A 53 5.726 -4.501 -18.188 1.00 0.00 O ATOM 0 H SER A 53 4.058 -8.452 -17.958 1.00 0.00 H new ATOM 0 HA SER A 53 4.135 -6.312 -17.019 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.290 -6.481 -18.374 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.451 -5.813 -19.761 1.00 0.00 H new ATOM 0 HG SER A 53 6.579 -4.175 -18.545 1.00 0.00 H new ATOM 104 N PRO A 54 1.893 -5.450 -17.845 1.00 0.00 N ATOM 105 CA PRO A 54 0.725 -4.612 -18.210 1.00 0.00 C ATOM 106 C PRO A 54 0.992 -3.141 -17.874 1.00 0.00 C ATOM 107 O PRO A 54 0.461 -2.246 -18.505 1.00 0.00 O ATOM 108 CB PRO A 54 -0.405 -5.167 -17.346 1.00 0.00 C ATOM 109 CG PRO A 54 0.276 -5.798 -16.174 1.00 0.00 C ATOM 110 CD PRO A 54 1.632 -6.260 -16.642 1.00 0.00 C ATOM 0 HA PRO A 54 0.496 -4.645 -19.275 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.084 -4.376 -17.029 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.000 -5.896 -17.896 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.374 -5.084 -15.356 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.307 -6.638 -15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.394 -6.097 -15.879 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.633 -7.326 -16.871 1.00 0.00 H new ATOM 118 N CYS A 55 1.812 -2.888 -16.884 1.00 0.00 N ATOM 119 CA CYS A 55 2.116 -1.473 -16.502 1.00 0.00 C ATOM 120 C CYS A 55 2.809 -0.760 -17.668 1.00 0.00 C ATOM 121 O CYS A 55 3.061 -1.351 -18.701 1.00 0.00 O ATOM 122 CB CYS A 55 3.058 -1.558 -15.292 1.00 0.00 C ATOM 123 SG CYS A 55 2.302 -2.527 -13.952 1.00 0.00 S ATOM 0 H CYS A 55 2.284 -3.598 -16.324 1.00 0.00 H new ATOM 0 HA CYS A 55 1.212 -0.912 -16.263 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.001 -2.016 -15.591 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.290 -0.555 -14.935 1.00 0.00 H new ATOM 128 N GLN A 56 3.117 0.504 -17.509 1.00 0.00 N ATOM 129 CA GLN A 56 3.793 1.257 -18.610 1.00 0.00 C ATOM 130 C GLN A 56 4.760 2.296 -18.035 1.00 0.00 C ATOM 131 O GLN A 56 4.815 2.514 -16.839 1.00 0.00 O ATOM 132 CB GLN A 56 2.658 1.945 -19.371 1.00 0.00 C ATOM 133 CG GLN A 56 2.965 1.934 -20.872 1.00 0.00 C ATOM 134 CD GLN A 56 1.669 1.726 -21.659 1.00 0.00 C ATOM 135 OE1 GLN A 56 1.237 2.602 -22.380 1.00 0.00 O ATOM 136 NE2 GLN A 56 1.027 0.596 -21.549 1.00 0.00 N ATOM 0 H GLN A 56 2.930 1.046 -16.665 1.00 0.00 H new ATOM 0 HA GLN A 56 4.382 0.603 -19.253 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.715 1.433 -19.179 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.541 2.971 -19.021 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.433 2.874 -21.165 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.674 1.139 -21.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.390 -0.140 -20.943 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.162 0.448 -22.069 1.00 0.00 H new ATOM 145 N ASN A 57 5.527 2.939 -18.884 1.00 0.00 N ATOM 146 CA ASN A 57 6.506 3.974 -18.410 1.00 0.00 C ATOM 147 C ASN A 57 7.414 3.408 -17.313 1.00 0.00 C ATOM 148 O ASN A 57 7.704 4.070 -16.333 1.00 0.00 O ATOM 149 CB ASN A 57 5.654 5.125 -17.867 1.00 0.00 C ATOM 150 CG ASN A 57 5.159 5.986 -19.031 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.921 6.723 -19.624 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.904 5.923 -19.386 1.00 0.00 N ATOM 0 H ASN A 57 5.518 2.791 -19.893 1.00 0.00 H new ATOM 0 HA ASN A 57 7.163 4.302 -19.215 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.807 4.731 -17.306 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.240 5.731 -17.176 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.564 6.492 -20.161 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.264 5.304 -18.888 1.00 0.00 H new ATOM 159 N GLY A 58 7.865 2.189 -17.474 1.00 0.00 N ATOM 160 CA GLY A 58 8.759 1.571 -16.449 1.00 0.00 C ATOM 161 C GLY A 58 8.029 1.483 -15.106 1.00 0.00 C ATOM 162 O GLY A 58 8.642 1.518 -14.055 1.00 0.00 O ATOM 0 H GLY A 58 7.651 1.594 -18.274 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.064 0.576 -16.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.667 2.164 -16.341 1.00 0.00 H new ATOM 166 N GLY A 59 6.725 1.368 -15.134 1.00 0.00 N ATOM 167 CA GLY A 59 5.950 1.275 -13.862 1.00 0.00 C ATOM 168 C GLY A 59 6.295 -0.035 -13.151 1.00 0.00 C ATOM 169 O GLY A 59 6.851 -0.942 -13.743 1.00 0.00 O ATOM 0 H GLY A 59 6.164 1.335 -15.985 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.183 2.123 -13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.881 1.318 -14.071 1.00 0.00 H new ATOM 173 N SER A 60 5.969 -0.140 -11.888 1.00 0.00 N ATOM 174 CA SER A 60 6.274 -1.391 -11.133 1.00 0.00 C ATOM 175 C SER A 60 5.040 -2.295 -11.095 1.00 0.00 C ATOM 176 O SER A 60 4.026 -1.951 -10.518 1.00 0.00 O ATOM 177 CB SER A 60 6.647 -0.925 -9.727 1.00 0.00 C ATOM 178 OG SER A 60 7.996 -0.476 -9.724 1.00 0.00 O ATOM 0 H SER A 60 5.504 0.589 -11.347 1.00 0.00 H new ATOM 0 HA SER A 60 7.076 -1.969 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.983 -0.121 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.522 -1.741 -9.016 1.00 0.00 H new ATOM 0 HG SER A 60 8.238 -0.174 -8.824 1.00 0.00 H new ATOM 183 N CYS A 61 5.121 -3.447 -11.711 1.00 0.00 N ATOM 184 CA CYS A 61 3.957 -4.381 -11.723 1.00 0.00 C ATOM 185 C CYS A 61 4.017 -5.324 -10.517 1.00 0.00 C ATOM 186 O CYS A 61 5.081 -5.737 -10.093 1.00 0.00 O ATOM 187 CB CYS A 61 4.100 -5.166 -13.027 1.00 0.00 C ATOM 188 SG CYS A 61 2.684 -6.277 -13.230 1.00 0.00 S ATOM 0 H CYS A 61 5.947 -3.781 -12.208 1.00 0.00 H new ATOM 0 HA CYS A 61 3.004 -3.856 -11.663 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.160 -4.479 -13.871 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.026 -5.740 -13.017 1.00 0.00 H new ATOM 193 N LYS A 62 2.880 -5.665 -9.968 1.00 0.00 N ATOM 194 CA LYS A 62 2.854 -6.584 -8.791 1.00 0.00 C ATOM 195 C LYS A 62 1.673 -7.552 -8.907 1.00 0.00 C ATOM 196 O LYS A 62 0.535 -7.140 -9.048 1.00 0.00 O ATOM 197 CB LYS A 62 2.686 -5.669 -7.574 1.00 0.00 C ATOM 198 CG LYS A 62 3.621 -6.126 -6.452 1.00 0.00 C ATOM 199 CD LYS A 62 2.977 -5.828 -5.097 1.00 0.00 C ATOM 200 CE LYS A 62 2.204 -7.059 -4.616 1.00 0.00 C ATOM 201 NZ LYS A 62 1.657 -6.673 -3.286 1.00 0.00 N ATOM 0 H LYS A 62 1.965 -5.345 -10.285 1.00 0.00 H new ATOM 0 HA LYS A 62 3.757 -7.191 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.909 -4.638 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.652 -5.691 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.822 -7.193 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.579 -5.613 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.743 -5.560 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.305 -4.974 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.406 -7.320 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.856 -7.929 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.709 -7.084 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.284 -7.029 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.596 -5.637 -3.223 1.00 0.00 H new ATOM 215 N ASP A 63 1.938 -8.833 -8.851 1.00 0.00 N ATOM 216 CA ASP A 63 0.834 -9.837 -8.958 1.00 0.00 C ATOM 217 C ASP A 63 -0.022 -9.819 -7.686 1.00 0.00 C ATOM 218 O ASP A 63 0.466 -10.062 -6.599 1.00 0.00 O ATOM 219 CB ASP A 63 1.531 -11.193 -9.126 1.00 0.00 C ATOM 220 CG ASP A 63 2.454 -11.461 -7.931 1.00 0.00 C ATOM 221 OD1 ASP A 63 3.601 -11.050 -7.991 1.00 0.00 O ATOM 222 OD2 ASP A 63 1.997 -12.072 -6.980 1.00 0.00 O ATOM 0 H ASP A 63 2.871 -9.228 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 63 0.166 -9.625 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.787 -11.986 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.108 -11.202 -10.051 1.00 0.00 H new ATOM 227 N GLN A 64 -1.292 -9.533 -7.821 1.00 0.00 N ATOM 228 CA GLN A 64 -2.187 -9.496 -6.626 1.00 0.00 C ATOM 229 C GLN A 64 -3.327 -10.506 -6.788 1.00 0.00 C ATOM 230 O GLN A 64 -3.341 -11.294 -7.715 1.00 0.00 O ATOM 231 CB GLN A 64 -2.735 -8.070 -6.584 1.00 0.00 C ATOM 232 CG GLN A 64 -1.691 -7.139 -5.965 1.00 0.00 C ATOM 233 CD GLN A 64 -1.576 -7.425 -4.466 1.00 0.00 C ATOM 234 OE1 GLN A 64 -0.733 -8.191 -4.044 1.00 0.00 O ATOM 235 NE2 GLN A 64 -2.394 -6.835 -3.639 1.00 0.00 N ATOM 0 H GLN A 64 -1.748 -9.323 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.661 -9.756 -5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.984 -7.735 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.655 -8.040 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.725 -7.285 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.974 -6.099 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.102 -6.192 -3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.326 -7.017 -2.638 1.00 0.00 H new ATOM 244 N LEU A 65 -4.281 -10.486 -5.891 1.00 0.00 N ATOM 245 CA LEU A 65 -5.426 -11.444 -5.986 1.00 0.00 C ATOM 246 C LEU A 65 -6.195 -11.221 -7.292 1.00 0.00 C ATOM 247 O LEU A 65 -6.433 -10.101 -7.694 1.00 0.00 O ATOM 248 CB LEU A 65 -6.316 -11.131 -4.782 1.00 0.00 C ATOM 249 CG LEU A 65 -5.945 -12.052 -3.618 1.00 0.00 C ATOM 250 CD1 LEU A 65 -4.724 -11.488 -2.889 1.00 0.00 C ATOM 251 CD2 LEU A 65 -7.121 -12.142 -2.644 1.00 0.00 C ATOM 0 H LEU A 65 -4.317 -9.847 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.092 -12.482 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.194 -10.089 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.365 -11.267 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.713 -13.045 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.460 -12.144 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.885 -11.423 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.956 -10.494 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.857 -12.798 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.353 -11.148 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.992 -12.544 -3.161 1.00 0.00 H new ATOM 263 N GLN A 66 -6.584 -12.286 -7.951 1.00 0.00 N ATOM 264 CA GLN A 66 -7.342 -12.169 -9.240 1.00 0.00 C ATOM 265 C GLN A 66 -6.552 -11.337 -10.265 1.00 0.00 C ATOM 266 O GLN A 66 -5.826 -11.881 -11.078 1.00 0.00 O ATOM 267 CB GLN A 66 -8.678 -11.499 -8.882 1.00 0.00 C ATOM 268 CG GLN A 66 -9.690 -12.568 -8.466 1.00 0.00 C ATOM 269 CD GLN A 66 -10.711 -11.957 -7.506 1.00 0.00 C ATOM 270 OE1 GLN A 66 -11.080 -12.569 -6.522 1.00 0.00 O ATOM 271 NE2 GLN A 66 -11.189 -10.768 -7.750 1.00 0.00 N ATOM 0 H GLN A 66 -6.407 -13.244 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.504 -13.143 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.533 -10.785 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.056 -10.938 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.195 -12.967 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.178 -13.402 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.880 -10.254 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.871 -10.353 -7.116 1.00 0.00 H new ATOM 280 N SER A 67 -6.680 -10.030 -10.239 1.00 0.00 N ATOM 281 CA SER A 67 -5.933 -9.178 -11.213 1.00 0.00 C ATOM 282 C SER A 67 -4.581 -8.763 -10.626 1.00 0.00 C ATOM 283 O SER A 67 -4.065 -9.401 -9.727 1.00 0.00 O ATOM 284 CB SER A 67 -6.823 -7.956 -11.433 1.00 0.00 C ATOM 285 OG SER A 67 -8.172 -8.378 -11.586 1.00 0.00 O ATOM 0 H SER A 67 -7.271 -9.519 -9.583 1.00 0.00 H new ATOM 0 HA SER A 67 -5.724 -9.702 -12.146 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.737 -7.273 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.498 -7.410 -12.319 1.00 0.00 H new ATOM 0 HG SER A 67 -8.746 -7.596 -11.726 1.00 0.00 H new ATOM 291 N TYR A 68 -4.008 -7.698 -11.127 1.00 0.00 N ATOM 292 CA TYR A 68 -2.689 -7.232 -10.601 1.00 0.00 C ATOM 293 C TYR A 68 -2.748 -5.744 -10.260 1.00 0.00 C ATOM 294 O TYR A 68 -3.810 -5.151 -10.217 1.00 0.00 O ATOM 295 CB TYR A 68 -1.683 -7.497 -11.730 1.00 0.00 C ATOM 296 CG TYR A 68 -2.092 -6.752 -12.981 1.00 0.00 C ATOM 297 CD1 TYR A 68 -2.999 -7.332 -13.876 1.00 0.00 C ATOM 298 CD2 TYR A 68 -1.562 -5.483 -13.246 1.00 0.00 C ATOM 299 CE1 TYR A 68 -3.377 -6.644 -15.035 1.00 0.00 C ATOM 300 CE2 TYR A 68 -1.940 -4.794 -14.405 1.00 0.00 C ATOM 301 CZ TYR A 68 -2.848 -5.375 -15.299 1.00 0.00 C ATOM 302 OH TYR A 68 -3.220 -4.697 -16.442 1.00 0.00 O ATOM 0 H TYR A 68 -4.398 -7.130 -11.879 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.407 -7.751 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.687 -7.182 -11.420 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.630 -8.566 -11.936 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.407 -8.311 -13.672 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.862 -5.036 -12.556 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.076 -7.092 -15.725 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.532 -3.815 -14.609 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.782 -3.931 -16.200 1.00 0.00 H new ATOM 312 N ILE A 69 -1.616 -5.143 -10.006 1.00 0.00 N ATOM 313 CA ILE A 69 -1.599 -3.695 -9.652 1.00 0.00 C ATOM 314 C ILE A 69 -0.322 -3.024 -10.173 1.00 0.00 C ATOM 315 O ILE A 69 0.768 -3.544 -10.021 1.00 0.00 O ATOM 316 CB ILE A 69 -1.656 -3.683 -8.121 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.721 -2.239 -7.617 1.00 0.00 C ATOM 318 CG2 ILE A 69 -0.417 -4.373 -7.541 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.642 -2.170 -6.396 1.00 0.00 C ATOM 0 H ILE A 69 -0.701 -5.594 -10.029 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.425 -3.141 -10.097 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.547 -4.221 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.723 -1.888 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.092 -1.583 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.469 -4.358 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.379 -5.405 -7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.479 -3.847 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.691 -1.143 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.641 -2.504 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.251 -2.814 -5.608 1.00 0.00 H new ATOM 331 N CYS A 70 -0.454 -1.875 -10.784 1.00 0.00 N ATOM 332 CA CYS A 70 0.744 -1.160 -11.319 1.00 0.00 C ATOM 333 C CYS A 70 1.127 -0.004 -10.392 1.00 0.00 C ATOM 334 O CYS A 70 0.370 0.930 -10.208 1.00 0.00 O ATOM 335 CB CYS A 70 0.313 -0.623 -12.684 1.00 0.00 C ATOM 336 SG CYS A 70 0.363 -1.955 -13.908 1.00 0.00 S ATOM 0 H CYS A 70 -1.343 -1.399 -10.936 1.00 0.00 H new ATOM 0 HA CYS A 70 1.612 -1.814 -11.393 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.694 -0.211 -12.622 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.972 0.190 -12.990 1.00 0.00 H new ATOM 341 N PHE A 71 2.302 -0.056 -9.817 1.00 0.00 N ATOM 342 CA PHE A 71 2.745 1.043 -8.909 1.00 0.00 C ATOM 343 C PHE A 71 3.475 2.115 -9.722 1.00 0.00 C ATOM 344 O PHE A 71 4.662 2.018 -9.970 1.00 0.00 O ATOM 345 CB PHE A 71 3.694 0.379 -7.911 1.00 0.00 C ATOM 346 CG PHE A 71 2.889 -0.319 -6.840 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.488 0.383 -5.697 1.00 0.00 C ATOM 348 CD2 PHE A 71 2.544 -1.667 -6.991 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.742 -0.264 -4.704 1.00 0.00 C ATOM 350 CE2 PHE A 71 1.798 -2.314 -5.999 1.00 0.00 C ATOM 351 CZ PHE A 71 1.398 -1.613 -4.856 1.00 0.00 C ATOM 0 H PHE A 71 2.974 -0.814 -9.938 1.00 0.00 H new ATOM 0 HA PHE A 71 1.912 1.532 -8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.335 -0.338 -8.424 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.347 1.127 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.754 1.423 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.853 -2.208 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.432 0.277 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.531 -3.354 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.823 -2.113 -4.090 1.00 0.00 H new ATOM 361 N CYS A 72 2.765 3.128 -10.148 1.00 0.00 N ATOM 362 CA CYS A 72 3.403 4.208 -10.962 1.00 0.00 C ATOM 363 C CYS A 72 4.325 5.061 -10.087 1.00 0.00 C ATOM 364 O CYS A 72 4.398 4.882 -8.886 1.00 0.00 O ATOM 365 CB CYS A 72 2.247 5.067 -11.498 1.00 0.00 C ATOM 366 SG CYS A 72 1.056 4.048 -12.417 1.00 0.00 S ATOM 0 H CYS A 72 1.769 3.255 -9.967 1.00 0.00 H new ATOM 0 HA CYS A 72 4.009 3.794 -11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.743 5.564 -10.669 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.640 5.849 -12.147 1.00 0.00 H new ATOM 371 N LEU A 73 5.020 5.991 -10.688 1.00 0.00 N ATOM 372 CA LEU A 73 5.938 6.874 -9.909 1.00 0.00 C ATOM 373 C LEU A 73 5.138 8.026 -9.281 1.00 0.00 C ATOM 374 O LEU A 73 3.978 8.205 -9.602 1.00 0.00 O ATOM 375 CB LEU A 73 6.933 7.407 -10.945 1.00 0.00 C ATOM 376 CG LEU A 73 8.126 6.456 -11.046 1.00 0.00 C ATOM 377 CD1 LEU A 73 8.943 6.791 -12.295 1.00 0.00 C ATOM 378 CD2 LEU A 73 9.010 6.609 -9.805 1.00 0.00 C ATOM 0 H LEU A 73 4.991 6.178 -11.690 1.00 0.00 H new ATOM 0 HA LEU A 73 6.440 6.352 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.447 7.501 -11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.272 8.403 -10.660 1.00 0.00 H new ATOM 0 HG LEU A 73 7.765 5.430 -11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.793 6.113 -12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.316 6.681 -13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.303 7.818 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.860 5.931 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.370 7.636 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.430 6.370 -8.914 1.00 0.00 H new ATOM 390 N PRO A 74 5.769 8.782 -8.407 1.00 0.00 N ATOM 391 CA PRO A 74 5.066 9.918 -7.757 1.00 0.00 C ATOM 392 C PRO A 74 4.716 10.994 -8.791 1.00 0.00 C ATOM 393 O PRO A 74 3.816 11.787 -8.588 1.00 0.00 O ATOM 394 CB PRO A 74 6.077 10.431 -6.733 1.00 0.00 C ATOM 395 CG PRO A 74 7.404 9.989 -7.256 1.00 0.00 C ATOM 396 CD PRO A 74 7.165 8.673 -7.946 1.00 0.00 C ATOM 0 HA PRO A 74 4.120 9.633 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.030 11.516 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.883 10.017 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.814 10.724 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.125 9.879 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.853 8.524 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.300 7.832 -7.266 1.00 0.00 H new ATOM 404 N ALA A 75 5.411 11.019 -9.902 1.00 0.00 N ATOM 405 CA ALA A 75 5.110 12.033 -10.956 1.00 0.00 C ATOM 406 C ALA A 75 4.389 11.366 -12.135 1.00 0.00 C ATOM 407 O ALA A 75 4.456 11.834 -13.257 1.00 0.00 O ATOM 408 CB ALA A 75 6.475 12.566 -11.395 1.00 0.00 C ATOM 0 H ALA A 75 6.174 10.380 -10.123 1.00 0.00 H new ATOM 0 HA ALA A 75 4.461 12.829 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.339 13.319 -12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.983 13.013 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.077 11.746 -11.787 1.00 0.00 H new ATOM 414 N PHE A 76 3.702 10.277 -11.886 1.00 0.00 N ATOM 415 CA PHE A 76 2.976 9.574 -12.987 1.00 0.00 C ATOM 416 C PHE A 76 1.570 9.180 -12.526 1.00 0.00 C ATOM 417 O PHE A 76 1.286 9.138 -11.343 1.00 0.00 O ATOM 418 CB PHE A 76 3.809 8.325 -13.277 1.00 0.00 C ATOM 419 CG PHE A 76 4.987 8.691 -14.145 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.099 9.328 -13.583 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.968 8.393 -15.513 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.194 9.665 -14.387 1.00 0.00 C ATOM 423 CE2 PHE A 76 6.062 8.731 -16.318 1.00 0.00 C ATOM 424 CZ PHE A 76 7.175 9.367 -15.755 1.00 0.00 C ATOM 0 H PHE A 76 3.613 9.845 -10.966 1.00 0.00 H new ATOM 0 HA PHE A 76 2.859 10.202 -13.870 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.156 7.883 -12.343 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.196 7.575 -13.776 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.112 9.560 -12.528 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.109 7.902 -15.947 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.053 10.155 -13.953 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.048 8.501 -17.373 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.019 9.628 -16.376 1.00 0.00 H new ATOM 434 N GLU A 77 0.692 8.889 -13.452 1.00 0.00 N ATOM 435 CA GLU A 77 -0.699 8.493 -13.077 1.00 0.00 C ATOM 436 C GLU A 77 -1.277 7.539 -14.128 1.00 0.00 C ATOM 437 O GLU A 77 -0.661 7.275 -15.143 1.00 0.00 O ATOM 438 CB GLU A 77 -1.489 9.802 -13.046 1.00 0.00 C ATOM 439 CG GLU A 77 -2.477 9.780 -11.876 1.00 0.00 C ATOM 440 CD GLU A 77 -1.706 9.759 -10.554 1.00 0.00 C ATOM 441 OE1 GLU A 77 -1.412 10.827 -10.044 1.00 0.00 O ATOM 442 OE2 GLU A 77 -1.423 8.672 -10.074 1.00 0.00 O ATOM 0 H GLU A 77 0.879 8.909 -14.454 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.738 7.972 -12.120 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.808 10.647 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.025 9.937 -13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.125 10.656 -11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.121 8.904 -11.947 1.00 0.00 H new ATOM 449 N GLY A 78 -2.458 7.025 -13.890 1.00 0.00 N ATOM 450 CA GLY A 78 -3.085 6.089 -14.870 1.00 0.00 C ATOM 451 C GLY A 78 -3.055 4.664 -14.313 1.00 0.00 C ATOM 452 O GLY A 78 -2.214 4.324 -13.502 1.00 0.00 O ATOM 0 H GLY A 78 -3.015 7.214 -13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.113 6.391 -15.069 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.551 6.130 -15.820 1.00 0.00 H new ATOM 456 N ARG A 79 -3.968 3.831 -14.745 1.00 0.00 N ATOM 457 CA ARG A 79 -4.000 2.421 -14.246 1.00 0.00 C ATOM 458 C ARG A 79 -2.710 1.696 -14.636 1.00 0.00 C ATOM 459 O ARG A 79 -2.122 0.988 -13.841 1.00 0.00 O ATOM 460 CB ARG A 79 -5.206 1.776 -14.931 1.00 0.00 C ATOM 461 CG ARG A 79 -6.476 2.095 -14.140 1.00 0.00 C ATOM 462 CD ARG A 79 -6.825 3.575 -14.311 1.00 0.00 C ATOM 463 NE ARG A 79 -8.238 3.697 -13.836 1.00 0.00 N ATOM 464 CZ ARG A 79 -8.716 4.843 -13.398 1.00 0.00 C ATOM 465 NH1 ARG A 79 -8.057 5.968 -13.559 1.00 0.00 N ATOM 466 NH2 ARG A 79 -9.878 4.864 -12.804 1.00 0.00 N ATOM 0 H ARG A 79 -4.694 4.066 -15.422 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.080 2.372 -13.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.298 2.147 -15.952 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.067 0.697 -14.995 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.300 1.473 -14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.328 1.865 -13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.156 4.208 -13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.730 3.885 -15.352 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.843 2.876 -13.852 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.154 5.967 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.449 6.843 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.405 3.999 -12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.259 5.745 -12.460 1.00 0.00 H new ATOM 480 N ASN A 80 -2.268 1.873 -15.855 1.00 0.00 N ATOM 481 CA ASN A 80 -1.012 1.202 -16.308 1.00 0.00 C ATOM 482 C ASN A 80 0.132 2.217 -16.374 1.00 0.00 C ATOM 483 O ASN A 80 1.059 2.072 -17.146 1.00 0.00 O ATOM 484 CB ASN A 80 -1.333 0.663 -17.702 1.00 0.00 C ATOM 485 CG ASN A 80 -2.455 -0.373 -17.605 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.414 -0.318 -18.348 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.374 -1.323 -16.714 1.00 0.00 N ATOM 0 H ASN A 80 -2.724 2.455 -16.558 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.696 0.410 -15.629 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.634 1.480 -18.358 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.444 0.211 -18.142 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.116 -2.019 -16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.569 -1.369 -16.090 1.00 0.00 H new ATOM 494 N CYS A 81 0.069 3.249 -15.566 1.00 0.00 N ATOM 495 CA CYS A 81 1.147 4.296 -15.566 1.00 0.00 C ATOM 496 C CYS A 81 1.331 4.871 -16.975 1.00 0.00 C ATOM 497 O CYS A 81 2.437 4.993 -17.463 1.00 0.00 O ATOM 498 CB CYS A 81 2.433 3.590 -15.107 1.00 0.00 C ATOM 499 SG CYS A 81 2.184 2.767 -13.504 1.00 0.00 S ATOM 0 H CYS A 81 -0.687 3.414 -14.901 1.00 0.00 H new ATOM 0 HA CYS A 81 0.893 5.126 -14.907 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.736 2.856 -15.854 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.242 4.316 -15.026 1.00 0.00 H new ATOM 504 N GLU A 82 0.251 5.222 -17.627 1.00 0.00 N ATOM 505 CA GLU A 82 0.355 5.789 -19.007 1.00 0.00 C ATOM 506 C GLU A 82 -0.101 7.254 -19.024 1.00 0.00 C ATOM 507 O GLU A 82 -0.527 7.764 -20.043 1.00 0.00 O ATOM 508 CB GLU A 82 -0.571 4.922 -19.868 1.00 0.00 C ATOM 509 CG GLU A 82 -2.002 4.977 -19.320 1.00 0.00 C ATOM 510 CD GLU A 82 -2.970 4.411 -20.361 1.00 0.00 C ATOM 511 OE1 GLU A 82 -2.754 4.657 -21.537 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.911 3.744 -19.965 1.00 0.00 O ATOM 0 H GLU A 82 -0.699 5.141 -17.263 1.00 0.00 H new ATOM 0 HA GLU A 82 1.380 5.778 -19.377 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.555 5.272 -20.900 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.215 3.892 -19.875 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.071 4.404 -18.395 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.271 6.005 -19.079 1.00 0.00 H new ATOM 519 N THR A 83 -0.012 7.930 -17.905 1.00 0.00 N ATOM 520 CA THR A 83 -0.437 9.361 -17.854 1.00 0.00 C ATOM 521 C THR A 83 0.624 10.202 -17.141 1.00 0.00 C ATOM 522 O THR A 83 0.543 10.436 -15.949 1.00 0.00 O ATOM 523 CB THR A 83 -1.744 9.358 -17.060 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.613 8.363 -17.584 1.00 0.00 O ATOM 525 CG2 THR A 83 -2.411 10.730 -17.165 1.00 0.00 C ATOM 0 H THR A 83 0.337 7.551 -17.025 1.00 0.00 H new ATOM 0 HA THR A 83 -0.566 9.790 -18.848 1.00 0.00 H new ATOM 0 HB THR A 83 -1.533 9.140 -16.013 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.450 8.359 -17.075 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.342 10.726 -16.599 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.744 11.491 -16.761 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.623 10.952 -18.211 1.00 0.00 H new ATOM 533 N HIS A 84 1.615 10.657 -17.863 1.00 0.00 N ATOM 534 CA HIS A 84 2.690 11.487 -17.235 1.00 0.00 C ATOM 535 C HIS A 84 2.094 12.777 -16.666 1.00 0.00 C ATOM 536 O HIS A 84 1.519 13.573 -17.383 1.00 0.00 O ATOM 537 CB HIS A 84 3.670 11.804 -18.366 1.00 0.00 C ATOM 538 CG HIS A 84 5.058 11.943 -17.806 1.00 0.00 C ATOM 539 ND1 HIS A 84 6.161 11.362 -18.411 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.539 12.595 -16.697 1.00 0.00 C ATOM 541 CE1 HIS A 84 7.241 11.672 -17.670 1.00 0.00 C ATOM 542 NE2 HIS A 84 6.918 12.422 -16.614 1.00 0.00 N ATOM 0 H HIS A 84 1.728 10.490 -18.863 1.00 0.00 H new ATOM 0 HA HIS A 84 3.179 10.968 -16.411 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.646 11.012 -19.114 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.376 12.725 -18.868 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.939 13.156 -15.996 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.246 11.353 -17.902 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.547 12.789 -15.900 1.00 0.00 H new ATOM 550 N LYS A 85 2.228 12.986 -15.380 1.00 0.00 N ATOM 551 CA LYS A 85 1.673 14.223 -14.755 1.00 0.00 C ATOM 552 C LYS A 85 2.665 15.380 -14.900 1.00 0.00 C ATOM 553 O LYS A 85 3.561 15.544 -14.094 1.00 0.00 O ATOM 554 CB LYS A 85 1.476 13.867 -13.281 1.00 0.00 C ATOM 555 CG LYS A 85 0.348 12.841 -13.149 1.00 0.00 C ATOM 556 CD LYS A 85 -0.426 13.093 -11.853 1.00 0.00 C ATOM 557 CE LYS A 85 -1.143 14.443 -11.940 1.00 0.00 C ATOM 558 NZ LYS A 85 -2.461 14.219 -11.283 1.00 0.00 N ATOM 0 H LYS A 85 2.699 12.351 -14.736 1.00 0.00 H new ATOM 0 HA LYS A 85 0.743 14.542 -15.225 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.400 13.463 -12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.236 14.763 -12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.323 12.911 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.759 11.832 -13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.150 12.295 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.256 13.086 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.577 15.225 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.266 14.759 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.013 15.100 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.980 13.474 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.312 13.926 -10.296 1.00 0.00 H new