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 Single : A 49 GLN : amide:sc= -0.358 K(o=-0.36,f=0.77) 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=-0.000778 X(o=-0.00078,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) 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= -1.52 K(o=-1.5,f=-0.58) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -1.038 -13.054 -14.990 1.00 0.00 N ATOM 46 CA GLN A 49 -1.722 -11.746 -15.213 1.00 0.00 C ATOM 47 C GLN A 49 -0.688 -10.634 -15.404 1.00 0.00 C ATOM 48 O GLN A 49 -0.687 -9.940 -16.403 1.00 0.00 O ATOM 49 CB GLN A 49 -2.536 -11.507 -13.942 1.00 0.00 C ATOM 50 CG GLN A 49 -3.713 -12.485 -13.897 1.00 0.00 C ATOM 51 CD GLN A 49 -4.288 -12.526 -12.481 1.00 0.00 C ATOM 52 OE1 GLN A 49 -5.422 -12.149 -12.262 1.00 0.00 O ATOM 53 NE2 GLN A 49 -3.550 -12.974 -11.502 1.00 0.00 N ATOM 0 HA GLN A 49 -2.348 -11.753 -16.105 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.905 -11.640 -13.063 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.902 -10.480 -13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.483 -12.177 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.384 -13.480 -14.196 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.598 -13.291 -11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.926 -13.007 -10.554 1.00 0.00 H new ATOM 62 N CYS A 50 0.195 -10.465 -14.453 1.00 0.00 N ATOM 63 CA CYS A 50 1.239 -9.404 -14.568 1.00 0.00 C ATOM 64 C CYS A 50 2.595 -10.031 -14.906 1.00 0.00 C ATOM 65 O CYS A 50 3.636 -9.491 -14.583 1.00 0.00 O ATOM 66 CB CYS A 50 1.275 -8.739 -13.191 1.00 0.00 C ATOM 67 SG CYS A 50 1.996 -7.086 -13.339 1.00 0.00 S ATOM 0 H CYS A 50 0.237 -11.019 -13.598 1.00 0.00 H new ATOM 0 HA CYS A 50 1.020 -8.687 -15.359 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.267 -8.673 -12.781 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.862 -9.343 -12.499 1.00 0.00 H new ATOM 72 N ALA A 51 2.587 -11.167 -15.560 1.00 0.00 N ATOM 73 CA ALA A 51 3.870 -11.836 -15.928 1.00 0.00 C ATOM 74 C ALA A 51 4.348 -11.381 -17.316 1.00 0.00 C ATOM 75 O ALA A 51 5.163 -12.036 -17.938 1.00 0.00 O ATOM 76 CB ALA A 51 3.544 -13.330 -15.940 1.00 0.00 C ATOM 0 H ALA A 51 1.744 -11.660 -15.855 1.00 0.00 H new ATOM 0 HA ALA A 51 4.670 -11.591 -15.230 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.438 -13.895 -16.203 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.199 -13.635 -14.952 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.762 -13.526 -16.674 1.00 0.00 H new ATOM 82 N SER A 52 3.851 -10.268 -17.806 1.00 0.00 N ATOM 83 CA SER A 52 4.281 -9.780 -19.151 1.00 0.00 C ATOM 84 C SER A 52 4.524 -8.266 -19.119 1.00 0.00 C ATOM 85 O SER A 52 4.431 -7.596 -20.130 1.00 0.00 O ATOM 86 CB SER A 52 3.119 -10.116 -20.083 1.00 0.00 C ATOM 87 OG SER A 52 2.883 -11.519 -20.053 1.00 0.00 O ATOM 0 H SER A 52 3.167 -9.679 -17.331 1.00 0.00 H new ATOM 0 HA SER A 52 5.213 -10.241 -19.476 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.223 -9.578 -19.774 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.349 -9.796 -21.099 1.00 0.00 H new ATOM 0 HG SER A 52 2.137 -11.738 -20.649 1.00 0.00 H new ATOM 93 N SER A 53 4.837 -7.724 -17.965 1.00 0.00 N ATOM 94 CA SER A 53 5.093 -6.250 -17.852 1.00 0.00 C ATOM 95 C SER A 53 3.934 -5.439 -18.466 1.00 0.00 C ATOM 96 O SER A 53 4.135 -4.696 -19.408 1.00 0.00 O ATOM 97 CB SER A 53 6.393 -6.007 -18.623 1.00 0.00 C ATOM 98 OG SER A 53 7.395 -6.898 -18.147 1.00 0.00 O ATOM 0 H SER A 53 4.927 -8.242 -17.091 1.00 0.00 H new ATOM 0 HA SER A 53 5.171 -5.933 -16.812 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.231 -6.160 -19.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.718 -4.974 -18.495 1.00 0.00 H new ATOM 0 HG SER A 53 8.228 -6.746 -18.640 1.00 0.00 H new ATOM 104 N PRO A 54 2.749 -5.600 -17.915 1.00 0.00 N ATOM 105 CA PRO A 54 1.572 -4.858 -18.434 1.00 0.00 C ATOM 106 C PRO A 54 1.656 -3.376 -18.052 1.00 0.00 C ATOM 107 O PRO A 54 1.055 -2.530 -18.688 1.00 0.00 O ATOM 108 CB PRO A 54 0.388 -5.526 -17.743 1.00 0.00 C ATOM 109 CG PRO A 54 0.953 -6.117 -16.492 1.00 0.00 C ATOM 110 CD PRO A 54 2.391 -6.466 -16.778 1.00 0.00 C ATOM 0 HA PRO A 54 1.499 -4.888 -19.521 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.397 -4.804 -17.519 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.057 -6.294 -18.376 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.885 -5.409 -15.666 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.392 -7.004 -16.198 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.028 -6.274 -15.914 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.503 -7.521 -17.029 1.00 0.00 H new ATOM 118 N CYS A 55 2.396 -3.054 -17.017 1.00 0.00 N ATOM 119 CA CYS A 55 2.517 -1.623 -16.591 1.00 0.00 C ATOM 120 C CYS A 55 3.125 -0.793 -17.726 1.00 0.00 C ATOM 121 O CYS A 55 3.802 -1.317 -18.591 1.00 0.00 O ATOM 122 CB CYS A 55 3.454 -1.626 -15.373 1.00 0.00 C ATOM 123 SG CYS A 55 2.808 -2.711 -14.066 1.00 0.00 S ATOM 0 H CYS A 55 2.921 -3.720 -16.450 1.00 0.00 H new ATOM 0 HA CYS A 55 1.548 -1.188 -16.347 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.447 -1.961 -15.673 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.563 -0.612 -14.989 1.00 0.00 H new ATOM 128 N GLN A 56 2.884 0.494 -17.731 1.00 0.00 N ATOM 129 CA GLN A 56 3.443 1.360 -18.814 1.00 0.00 C ATOM 130 C GLN A 56 4.351 2.442 -18.218 1.00 0.00 C ATOM 131 O GLN A 56 4.399 2.634 -17.019 1.00 0.00 O ATOM 132 CB GLN A 56 2.220 1.991 -19.484 1.00 0.00 C ATOM 133 CG GLN A 56 2.422 2.020 -21.004 1.00 0.00 C ATOM 134 CD GLN A 56 1.110 1.654 -21.704 1.00 0.00 C ATOM 135 OE1 GLN A 56 0.490 2.489 -22.333 1.00 0.00 O ATOM 136 NE2 GLN A 56 0.658 0.432 -21.620 1.00 0.00 N ATOM 0 H GLN A 56 2.324 0.983 -17.032 1.00 0.00 H new ATOM 0 HA GLN A 56 4.051 0.796 -19.521 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.324 1.422 -19.237 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.069 3.003 -19.108 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.750 3.011 -21.319 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.206 1.319 -21.290 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.178 -0.269 -21.092 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.215 0.178 -22.082 1.00 0.00 H new ATOM 145 N ASN A 57 5.076 3.148 -19.055 1.00 0.00 N ATOM 146 CA ASN A 57 5.994 4.227 -18.559 1.00 0.00 C ATOM 147 C ASN A 57 6.922 3.693 -17.461 1.00 0.00 C ATOM 148 O ASN A 57 7.130 4.333 -16.448 1.00 0.00 O ATOM 149 CB ASN A 57 5.074 5.319 -18.003 1.00 0.00 C ATOM 150 CG ASN A 57 4.529 6.166 -19.155 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.132 6.242 -20.207 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.405 6.811 -18.998 1.00 0.00 N ATOM 0 H ASN A 57 5.072 3.023 -20.067 1.00 0.00 H new ATOM 0 HA ASN A 57 6.638 4.603 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.251 4.868 -17.449 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.622 5.949 -17.303 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.032 7.379 -19.759 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.899 6.747 -18.115 1.00 0.00 H new ATOM 159 N GLY A 58 7.478 2.525 -17.660 1.00 0.00 N ATOM 160 CA GLY A 58 8.392 1.940 -16.636 1.00 0.00 C ATOM 161 C GLY A 58 7.620 1.697 -15.338 1.00 0.00 C ATOM 162 O GLY A 58 8.177 1.750 -14.257 1.00 0.00 O ATOM 0 H GLY A 58 7.337 1.950 -18.491 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.812 1.003 -17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.228 2.614 -16.453 1.00 0.00 H new ATOM 166 N GLY A 59 6.343 1.430 -15.438 1.00 0.00 N ATOM 167 CA GLY A 59 5.526 1.181 -14.215 1.00 0.00 C ATOM 168 C GLY A 59 5.986 -0.117 -13.549 1.00 0.00 C ATOM 169 O GLY A 59 6.454 -1.028 -14.206 1.00 0.00 O ATOM 0 H GLY A 59 5.830 1.374 -16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.629 2.015 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.470 1.113 -14.478 1.00 0.00 H new ATOM 173 N SER A 60 5.854 -0.206 -12.250 1.00 0.00 N ATOM 174 CA SER A 60 6.283 -1.444 -11.532 1.00 0.00 C ATOM 175 C SER A 60 5.120 -2.438 -11.447 1.00 0.00 C ATOM 176 O SER A 60 4.016 -2.086 -11.080 1.00 0.00 O ATOM 177 CB SER A 60 6.690 -0.970 -10.138 1.00 0.00 C ATOM 178 OG SER A 60 8.002 -0.427 -10.191 1.00 0.00 O ATOM 0 H SER A 60 5.467 0.526 -11.655 1.00 0.00 H new ATOM 0 HA SER A 60 7.099 -1.957 -12.042 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.987 -0.219 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.656 -1.802 -9.434 1.00 0.00 H new ATOM 0 HG SER A 60 8.265 -0.120 -9.298 1.00 0.00 H new ATOM 183 N CYS A 61 5.368 -3.676 -11.787 1.00 0.00 N ATOM 184 CA CYS A 61 4.290 -4.709 -11.735 1.00 0.00 C ATOM 185 C CYS A 61 4.272 -5.369 -10.346 1.00 0.00 C ATOM 186 O CYS A 61 5.301 -5.605 -9.743 1.00 0.00 O ATOM 187 CB CYS A 61 4.665 -5.701 -12.862 1.00 0.00 C ATOM 188 SG CYS A 61 3.872 -7.326 -12.640 1.00 0.00 S ATOM 0 H CYS A 61 6.276 -4.018 -12.100 1.00 0.00 H new ATOM 0 HA CYS A 61 3.287 -4.310 -11.883 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.370 -5.283 -13.825 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.747 -5.827 -12.887 1.00 0.00 H new ATOM 193 N LYS A 62 3.099 -5.674 -9.854 1.00 0.00 N ATOM 194 CA LYS A 62 2.981 -6.329 -8.519 1.00 0.00 C ATOM 195 C LYS A 62 1.794 -7.298 -8.528 1.00 0.00 C ATOM 196 O LYS A 62 0.723 -6.975 -9.010 1.00 0.00 O ATOM 197 CB LYS A 62 2.745 -5.185 -7.522 1.00 0.00 C ATOM 198 CG LYS A 62 3.759 -5.277 -6.375 1.00 0.00 C ATOM 199 CD LYS A 62 3.069 -4.948 -5.048 1.00 0.00 C ATOM 200 CE LYS A 62 2.640 -6.246 -4.358 1.00 0.00 C ATOM 201 NZ LYS A 62 2.027 -5.812 -3.072 1.00 0.00 N ATOM 0 H LYS A 62 2.212 -5.496 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 62 3.868 -6.905 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.841 -4.224 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.730 -5.238 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.187 -6.279 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.583 -4.585 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.746 -4.388 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.200 -4.314 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.927 -6.801 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.493 -6.903 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.707 -6.647 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.731 -5.292 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.214 -5.193 -3.266 1.00 0.00 H new ATOM 215 N ASP A 63 1.982 -8.485 -8.007 1.00 0.00 N ATOM 216 CA ASP A 63 0.872 -9.485 -7.988 1.00 0.00 C ATOM 217 C ASP A 63 -0.076 -9.212 -6.814 1.00 0.00 C ATOM 218 O ASP A 63 0.346 -8.817 -5.743 1.00 0.00 O ATOM 219 CB ASP A 63 1.556 -10.848 -7.831 1.00 0.00 C ATOM 220 CG ASP A 63 2.366 -10.886 -6.530 1.00 0.00 C ATOM 221 OD1 ASP A 63 3.465 -10.358 -6.525 1.00 0.00 O ATOM 222 OD2 ASP A 63 1.872 -11.442 -5.564 1.00 0.00 O ATOM 0 H ASP A 63 2.858 -8.804 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 63 0.267 -9.441 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.808 -11.640 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.211 -11.035 -8.682 1.00 0.00 H new ATOM 227 N GLN A 64 -1.351 -9.425 -7.013 1.00 0.00 N ATOM 228 CA GLN A 64 -2.338 -9.186 -5.919 1.00 0.00 C ATOM 229 C GLN A 64 -3.531 -10.134 -6.072 1.00 0.00 C ATOM 230 O GLN A 64 -3.497 -11.062 -6.859 1.00 0.00 O ATOM 231 CB GLN A 64 -2.781 -7.733 -6.095 1.00 0.00 C ATOM 232 CG GLN A 64 -1.726 -6.801 -5.494 1.00 0.00 C ATOM 233 CD GLN A 64 -2.412 -5.570 -4.897 1.00 0.00 C ATOM 234 OE1 GLN A 64 -2.147 -5.199 -3.771 1.00 0.00 O ATOM 235 NE2 GLN A 64 -3.289 -4.917 -5.609 1.00 0.00 N ATOM 0 H GLN A 64 -1.752 -9.756 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.913 -9.364 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.919 -7.509 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.743 -7.573 -5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.160 -7.324 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.014 -6.497 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.512 -5.228 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.752 -4.095 -5.220 1.00 0.00 H new ATOM 244 N LEU A 65 -4.582 -9.906 -5.326 1.00 0.00 N ATOM 245 CA LEU A 65 -5.782 -10.792 -5.426 1.00 0.00 C ATOM 246 C LEU A 65 -6.609 -10.419 -6.658 1.00 0.00 C ATOM 247 O LEU A 65 -6.490 -9.332 -7.186 1.00 0.00 O ATOM 248 CB LEU A 65 -6.580 -10.534 -4.138 1.00 0.00 C ATOM 249 CG LEU A 65 -6.427 -11.715 -3.165 1.00 0.00 C ATOM 250 CD1 LEU A 65 -6.939 -13.002 -3.820 1.00 0.00 C ATOM 251 CD2 LEU A 65 -4.950 -11.886 -2.778 1.00 0.00 C ATOM 0 H LEU A 65 -4.661 -9.145 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.513 -11.843 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.230 -9.617 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.633 -10.387 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.012 -11.512 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.827 -13.834 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.991 -12.885 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.363 -13.204 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.849 -12.724 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.359 -12.079 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.592 -10.976 -2.297 1.00 0.00 H new ATOM 263 N GLN A 66 -7.449 -11.318 -7.115 1.00 0.00 N ATOM 264 CA GLN A 66 -8.303 -11.045 -8.318 1.00 0.00 C ATOM 265 C GLN A 66 -7.431 -10.673 -9.532 1.00 0.00 C ATOM 266 O GLN A 66 -7.092 -11.523 -10.334 1.00 0.00 O ATOM 267 CB GLN A 66 -9.234 -9.889 -7.922 1.00 0.00 C ATOM 268 CG GLN A 66 -10.502 -10.454 -7.279 1.00 0.00 C ATOM 269 CD GLN A 66 -11.064 -9.441 -6.281 1.00 0.00 C ATOM 270 OE1 GLN A 66 -11.000 -9.649 -5.085 1.00 0.00 O ATOM 271 NE2 GLN A 66 -11.615 -8.344 -6.722 1.00 0.00 N ATOM 0 H GLN A 66 -7.581 -12.241 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.876 -11.924 -8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.727 -9.221 -7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.491 -9.298 -8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.244 -10.674 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.278 -11.393 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.669 -8.168 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.991 -7.662 -6.064 1.00 0.00 H new ATOM 280 N SER A 67 -7.066 -9.419 -9.677 1.00 0.00 N ATOM 281 CA SER A 67 -6.221 -9.010 -10.839 1.00 0.00 C ATOM 282 C SER A 67 -4.827 -8.593 -10.360 1.00 0.00 C ATOM 283 O SER A 67 -4.387 -8.980 -9.293 1.00 0.00 O ATOM 284 CB SER A 67 -6.955 -7.821 -11.460 1.00 0.00 C ATOM 285 OG SER A 67 -6.796 -6.683 -10.624 1.00 0.00 O ATOM 0 H SER A 67 -7.318 -8.664 -9.039 1.00 0.00 H new ATOM 0 HA SER A 67 -6.079 -9.821 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.560 -7.614 -12.455 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.013 -8.054 -11.579 1.00 0.00 H new ATOM 0 HG SER A 67 -7.264 -5.918 -11.020 1.00 0.00 H new ATOM 291 N TYR A 68 -4.132 -7.805 -11.142 1.00 0.00 N ATOM 292 CA TYR A 68 -2.764 -7.356 -10.740 1.00 0.00 C ATOM 293 C TYR A 68 -2.767 -5.853 -10.455 1.00 0.00 C ATOM 294 O TYR A 68 -3.805 -5.217 -10.464 1.00 0.00 O ATOM 295 CB TYR A 68 -1.861 -7.690 -11.935 1.00 0.00 C ATOM 296 CG TYR A 68 -2.330 -6.952 -13.170 1.00 0.00 C ATOM 297 CD1 TYR A 68 -1.917 -5.633 -13.396 1.00 0.00 C ATOM 298 CD2 TYR A 68 -3.175 -7.586 -14.089 1.00 0.00 C ATOM 299 CE1 TYR A 68 -2.348 -4.950 -14.538 1.00 0.00 C ATOM 300 CE2 TYR A 68 -3.606 -6.901 -15.232 1.00 0.00 C ATOM 301 CZ TYR A 68 -3.193 -5.583 -15.457 1.00 0.00 C ATOM 302 OH TYR A 68 -3.618 -4.909 -16.584 1.00 0.00 O ATOM 0 H TYR A 68 -4.454 -7.453 -12.043 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.417 -7.846 -9.831 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.831 -7.416 -11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.872 -8.764 -12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.265 -5.143 -12.688 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.494 -8.603 -13.916 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.028 -3.933 -14.711 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.258 -7.390 -15.941 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.197 -5.494 -17.116 1.00 0.00 H new ATOM 312 N ILE A 69 -1.617 -5.285 -10.196 1.00 0.00 N ATOM 313 CA ILE A 69 -1.558 -3.824 -9.902 1.00 0.00 C ATOM 314 C ILE A 69 -0.223 -3.229 -10.368 1.00 0.00 C ATOM 315 O ILE A 69 0.825 -3.825 -10.206 1.00 0.00 O ATOM 316 CB ILE A 69 -1.714 -3.736 -8.380 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.749 -2.267 -7.949 1.00 0.00 C ATOM 318 CG2 ILE A 69 -0.548 -4.448 -7.687 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.753 -2.100 -6.807 1.00 0.00 C ATOM 0 H ILE A 69 -0.719 -5.769 -10.176 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.330 -3.258 -10.423 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.647 -4.221 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.758 -1.947 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.030 -1.635 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.670 -4.379 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.534 -5.497 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.391 -3.976 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.781 -1.055 -6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.743 -2.405 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.451 -2.721 -5.963 1.00 0.00 H new ATOM 331 N CYS A 70 -0.263 -2.055 -10.947 1.00 0.00 N ATOM 332 CA CYS A 70 0.992 -1.405 -11.428 1.00 0.00 C ATOM 333 C CYS A 70 1.337 -0.202 -10.545 1.00 0.00 C ATOM 334 O CYS A 70 0.555 0.720 -10.409 1.00 0.00 O ATOM 335 CB CYS A 70 0.679 -0.938 -12.852 1.00 0.00 C ATOM 336 SG CYS A 70 0.824 -2.331 -13.997 1.00 0.00 S ATOM 0 H CYS A 70 -1.115 -1.518 -11.107 1.00 0.00 H new ATOM 0 HA CYS A 70 1.843 -2.085 -11.395 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.328 -0.522 -12.896 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.365 -0.143 -13.143 1.00 0.00 H new ATOM 341 N PHE A 71 2.504 -0.203 -9.953 1.00 0.00 N ATOM 342 CA PHE A 71 2.908 0.944 -9.087 1.00 0.00 C ATOM 343 C PHE A 71 3.620 2.002 -9.932 1.00 0.00 C ATOM 344 O PHE A 71 4.813 1.928 -10.162 1.00 0.00 O ATOM 345 CB PHE A 71 3.858 0.347 -8.048 1.00 0.00 C ATOM 346 CG PHE A 71 3.058 -0.319 -6.957 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.357 -1.499 -7.226 1.00 0.00 C ATOM 348 CD2 PHE A 71 3.018 0.243 -5.676 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.615 -2.117 -6.214 1.00 0.00 C ATOM 350 CE2 PHE A 71 2.276 -0.376 -4.664 1.00 0.00 C ATOM 351 CZ PHE A 71 1.574 -1.556 -4.932 1.00 0.00 C ATOM 0 H PHE A 71 3.195 -0.949 -10.032 1.00 0.00 H new ATOM 0 HA PHE A 71 2.056 1.432 -8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.522 -0.377 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.489 1.129 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.389 -1.933 -8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.560 1.154 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.073 -3.028 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.245 0.058 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.001 -2.034 -4.151 1.00 0.00 H new ATOM 361 N CYS A 72 2.890 2.980 -10.403 1.00 0.00 N ATOM 362 CA CYS A 72 3.508 4.048 -11.249 1.00 0.00 C ATOM 363 C CYS A 72 4.532 4.842 -10.437 1.00 0.00 C ATOM 364 O CYS A 72 4.741 4.592 -9.265 1.00 0.00 O ATOM 365 CB CYS A 72 2.353 4.965 -11.677 1.00 0.00 C ATOM 366 SG CYS A 72 1.059 4.018 -12.531 1.00 0.00 S ATOM 0 H CYS A 72 1.889 3.086 -10.238 1.00 0.00 H new ATOM 0 HA CYS A 72 4.029 3.625 -12.108 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.931 5.458 -10.801 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.730 5.749 -12.334 1.00 0.00 H new ATOM 371 N LEU A 73 5.164 5.804 -11.057 1.00 0.00 N ATOM 372 CA LEU A 73 6.174 6.636 -10.338 1.00 0.00 C ATOM 373 C LEU A 73 5.469 7.785 -9.601 1.00 0.00 C ATOM 374 O LEU A 73 4.294 8.014 -9.813 1.00 0.00 O ATOM 375 CB LEU A 73 7.086 7.179 -11.442 1.00 0.00 C ATOM 376 CG LEU A 73 8.234 6.197 -11.685 1.00 0.00 C ATOM 377 CD1 LEU A 73 8.926 6.538 -13.006 1.00 0.00 C ATOM 378 CD2 LEU A 73 9.246 6.299 -10.541 1.00 0.00 C ATOM 0 H LEU A 73 5.023 6.051 -12.037 1.00 0.00 H new ATOM 0 HA LEU A 73 6.732 6.072 -9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.517 7.324 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.481 8.153 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 73 7.838 5.182 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.744 5.839 -13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.207 6.466 -13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.320 7.553 -12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.063 5.599 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.641 7.314 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.755 6.057 -9.598 1.00 0.00 H new ATOM 390 N PRO A 74 6.199 8.484 -8.758 1.00 0.00 N ATOM 391 CA PRO A 74 5.595 9.615 -8.007 1.00 0.00 C ATOM 392 C PRO A 74 5.200 10.749 -8.961 1.00 0.00 C ATOM 393 O PRO A 74 4.369 11.576 -8.638 1.00 0.00 O ATOM 394 CB PRO A 74 6.706 10.050 -7.051 1.00 0.00 C ATOM 395 CG PRO A 74 7.967 9.588 -7.702 1.00 0.00 C ATOM 396 CD PRO A 74 7.625 8.314 -8.426 1.00 0.00 C ATOM 0 HA PRO A 74 4.680 9.340 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.706 11.131 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.580 9.600 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.345 10.340 -8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.747 9.417 -6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.234 8.184 -9.321 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.790 7.438 -7.799 1.00 0.00 H new ATOM 404 N ALA A 75 5.780 10.785 -10.136 1.00 0.00 N ATOM 405 CA ALA A 75 5.430 11.856 -11.116 1.00 0.00 C ATOM 406 C ALA A 75 4.587 11.274 -12.256 1.00 0.00 C ATOM 407 O ALA A 75 4.563 11.805 -13.351 1.00 0.00 O ATOM 408 CB ALA A 75 6.772 12.363 -11.645 1.00 0.00 C ATOM 0 H ALA A 75 6.481 10.118 -10.457 1.00 0.00 H new ATOM 0 HA ALA A 75 4.843 12.655 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.600 13.155 -12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.365 12.753 -10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.309 11.542 -12.121 1.00 0.00 H new ATOM 414 N PHE A 76 3.895 10.187 -12.007 1.00 0.00 N ATOM 415 CA PHE A 76 3.052 9.568 -13.074 1.00 0.00 C ATOM 416 C PHE A 76 1.680 9.184 -12.511 1.00 0.00 C ATOM 417 O PHE A 76 1.488 9.119 -11.312 1.00 0.00 O ATOM 418 CB PHE A 76 3.817 8.318 -13.510 1.00 0.00 C ATOM 419 CG PHE A 76 4.920 8.708 -14.464 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.146 9.168 -13.967 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.718 8.609 -15.846 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.168 9.529 -14.852 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.741 8.969 -16.731 1.00 0.00 C ATOM 424 CZ PHE A 76 6.966 9.429 -16.234 1.00 0.00 C ATOM 0 H PHE A 76 3.879 9.703 -11.109 1.00 0.00 H new ATOM 0 HA PHE A 76 2.876 10.251 -13.905 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.236 7.814 -12.639 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.139 7.613 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.303 9.244 -12.901 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.772 8.255 -16.229 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.113 9.885 -14.469 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.585 8.892 -17.797 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.756 9.707 -16.917 1.00 0.00 H new ATOM 434 N GLU A 77 0.727 8.929 -13.372 1.00 0.00 N ATOM 435 CA GLU A 77 -0.637 8.547 -12.899 1.00 0.00 C ATOM 436 C GLU A 77 -1.315 7.628 -13.920 1.00 0.00 C ATOM 437 O GLU A 77 -0.780 7.365 -14.981 1.00 0.00 O ATOM 438 CB GLU A 77 -1.398 9.868 -12.778 1.00 0.00 C ATOM 439 CG GLU A 77 -2.327 9.814 -11.563 1.00 0.00 C ATOM 440 CD GLU A 77 -3.590 10.628 -11.851 1.00 0.00 C ATOM 441 OE1 GLU A 77 -3.470 11.670 -12.472 1.00 0.00 O ATOM 442 OE2 GLU A 77 -4.656 10.194 -11.443 1.00 0.00 O ATOM 0 H GLU A 77 0.836 8.969 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.609 8.004 -11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.696 10.696 -12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.977 10.051 -13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.591 8.780 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.818 10.211 -10.685 1.00 0.00 H new ATOM 449 N GLY A 78 -2.488 7.141 -13.604 1.00 0.00 N ATOM 450 CA GLY A 78 -3.211 6.240 -14.550 1.00 0.00 C ATOM 451 C GLY A 78 -3.162 4.801 -14.029 1.00 0.00 C ATOM 452 O GLY A 78 -2.243 4.418 -13.330 1.00 0.00 O ATOM 0 H GLY A 78 -2.977 7.330 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.246 6.564 -14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.757 6.295 -15.539 1.00 0.00 H new ATOM 456 N ARG A 79 -4.145 4.005 -14.369 1.00 0.00 N ATOM 457 CA ARG A 79 -4.162 2.584 -13.899 1.00 0.00 C ATOM 458 C ARG A 79 -2.935 1.840 -14.433 1.00 0.00 C ATOM 459 O ARG A 79 -2.283 1.105 -13.714 1.00 0.00 O ATOM 460 CB ARG A 79 -5.446 1.981 -14.477 1.00 0.00 C ATOM 461 CG ARG A 79 -6.533 1.954 -13.399 1.00 0.00 C ATOM 462 CD ARG A 79 -7.754 1.195 -13.925 1.00 0.00 C ATOM 463 NE ARG A 79 -7.589 -0.200 -13.413 1.00 0.00 N ATOM 464 CZ ARG A 79 -8.080 -1.232 -14.069 1.00 0.00 C ATOM 465 NH1 ARG A 79 -8.913 -1.072 -15.072 1.00 0.00 N ATOM 466 NH2 ARG A 79 -7.742 -2.438 -13.706 1.00 0.00 N ATOM 0 H ARG A 79 -4.937 4.277 -14.952 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.135 2.511 -12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.782 2.568 -15.332 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.254 0.971 -14.839 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.154 1.474 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.814 2.971 -13.125 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.681 1.641 -13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.792 1.214 -15.014 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.087 -0.356 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.193 -0.134 -15.358 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.280 -1.886 -15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.104 -2.575 -12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.116 -3.245 -14.206 1.00 0.00 H new ATOM 480 N ASN A 80 -2.617 2.033 -15.687 1.00 0.00 N ATOM 481 CA ASN A 80 -1.430 1.346 -16.279 1.00 0.00 C ATOM 482 C ASN A 80 -0.273 2.339 -16.428 1.00 0.00 C ATOM 483 O ASN A 80 0.574 2.195 -17.289 1.00 0.00 O ATOM 484 CB ASN A 80 -1.896 0.856 -17.651 1.00 0.00 C ATOM 485 CG ASN A 80 -3.048 -0.137 -17.476 1.00 0.00 C ATOM 486 OD1 ASN A 80 -4.059 -0.036 -18.144 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.938 -1.098 -16.600 1.00 0.00 N ATOM 0 H ASN A 80 -3.130 2.638 -16.328 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.072 0.526 -15.657 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.219 1.700 -18.260 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.069 0.381 -18.179 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.700 -1.764 -16.476 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.090 -1.183 -16.040 1.00 0.00 H new ATOM 494 N CYS A 81 -0.233 3.347 -15.590 1.00 0.00 N ATOM 495 CA CYS A 81 0.864 4.369 -15.662 1.00 0.00 C ATOM 496 C CYS A 81 0.928 4.986 -17.065 1.00 0.00 C ATOM 497 O CYS A 81 1.989 5.109 -17.648 1.00 0.00 O ATOM 498 CB CYS A 81 2.171 3.620 -15.349 1.00 0.00 C ATOM 499 SG CYS A 81 2.056 2.754 -13.755 1.00 0.00 S ATOM 0 H CYS A 81 -0.919 3.508 -14.852 1.00 0.00 H new ATOM 0 HA CYS A 81 0.694 5.183 -14.957 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.383 2.903 -16.142 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.002 4.325 -15.325 1.00 0.00 H new ATOM 504 N GLU A 82 -0.200 5.372 -17.606 1.00 0.00 N ATOM 505 CA GLU A 82 -0.211 5.981 -18.971 1.00 0.00 C ATOM 506 C GLU A 82 -0.538 7.478 -18.892 1.00 0.00 C ATOM 507 O GLU A 82 -1.006 8.066 -19.850 1.00 0.00 O ATOM 508 CB GLU A 82 -1.304 5.226 -19.737 1.00 0.00 C ATOM 509 CG GLU A 82 -2.661 5.392 -19.031 1.00 0.00 C ATOM 510 CD GLU A 82 -3.187 4.025 -18.582 1.00 0.00 C ATOM 511 OE1 GLU A 82 -3.407 3.185 -19.441 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.362 3.842 -17.389 1.00 0.00 O ATOM 0 H GLU A 82 -1.114 5.292 -17.161 1.00 0.00 H new ATOM 0 HA GLU A 82 0.759 5.901 -19.462 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.369 5.603 -20.758 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.047 4.169 -19.803 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.554 6.051 -18.169 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.376 5.863 -19.705 1.00 0.00 H new ATOM 519 N THR A 83 -0.296 8.096 -17.762 1.00 0.00 N ATOM 520 CA THR A 83 -0.593 9.553 -17.623 1.00 0.00 C ATOM 521 C THR A 83 0.578 10.268 -16.944 1.00 0.00 C ATOM 522 O THR A 83 0.843 10.070 -15.774 1.00 0.00 O ATOM 523 CB THR A 83 -1.844 9.621 -16.745 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.840 8.759 -17.278 1.00 0.00 O ATOM 525 CG2 THR A 83 -2.371 11.056 -16.715 1.00 0.00 C ATOM 0 H THR A 83 0.095 7.653 -16.930 1.00 0.00 H new ATOM 0 HA THR A 83 -0.745 10.037 -18.588 1.00 0.00 H new ATOM 0 HB THR A 83 -1.595 9.307 -15.731 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.642 8.799 -16.716 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.262 11.103 -16.089 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.606 11.716 -16.307 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.621 11.373 -17.727 1.00 0.00 H new ATOM 533 N HIS A 84 1.278 11.099 -17.674 1.00 0.00 N ATOM 534 CA HIS A 84 2.436 11.835 -17.081 1.00 0.00 C ATOM 535 C HIS A 84 1.941 13.062 -16.310 1.00 0.00 C ATOM 536 O HIS A 84 1.365 13.970 -16.879 1.00 0.00 O ATOM 537 CB HIS A 84 3.291 12.261 -18.276 1.00 0.00 C ATOM 538 CG HIS A 84 4.749 12.155 -17.917 1.00 0.00 C ATOM 539 ND1 HIS A 84 5.695 11.670 -18.805 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.436 12.468 -16.770 1.00 0.00 C ATOM 541 CE1 HIS A 84 6.889 11.706 -18.185 1.00 0.00 C ATOM 542 NE2 HIS A 84 6.788 12.184 -16.943 1.00 0.00 N ATOM 0 H HIS A 84 1.097 11.300 -18.657 1.00 0.00 H new ATOM 0 HA HIS A 84 2.999 11.222 -16.377 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.071 11.629 -19.137 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.050 13.285 -18.562 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.995 12.873 -15.871 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.816 11.387 -18.638 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.540 12.313 -16.266 1.00 0.00 H new ATOM 550 N LYS A 85 2.164 13.092 -15.020 1.00 0.00 N ATOM 551 CA LYS A 85 1.709 14.259 -14.204 1.00 0.00 C ATOM 552 C LYS A 85 2.620 15.464 -14.451 1.00 0.00 C ATOM 553 O LYS A 85 2.182 16.599 -14.424 1.00 0.00 O ATOM 554 CB LYS A 85 1.814 13.798 -12.749 1.00 0.00 C ATOM 555 CG LYS A 85 0.820 12.663 -12.500 1.00 0.00 C ATOM 556 CD LYS A 85 0.619 12.480 -10.994 1.00 0.00 C ATOM 557 CE LYS A 85 -0.199 13.649 -10.442 1.00 0.00 C ATOM 558 NZ LYS A 85 -0.874 13.107 -9.230 1.00 0.00 N ATOM 0 H LYS A 85 2.642 12.358 -14.497 1.00 0.00 H new ATOM 0 HA LYS A 85 0.695 14.568 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.828 13.461 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.607 14.631 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.132 12.888 -12.980 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.190 11.738 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.106 11.539 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.585 12.429 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.441 14.496 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.925 14.003 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.455 13.851 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.481 12.307 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.158 12.784 -8.549 1.00 0.00 H new