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= 0 USER MOD Set 1.2: A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -4.15 K(o=-4.1,f=-2.3!) 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= -3.08 K(o=-3.1,f=-8.6!) USER MOD Single : A 57 ASN : amide:sc= 1.07 K(o=1.1,f=-0.45) 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= -1.97 K(o=-2,f=-9.4!) USER MOD Single : A 66 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 84 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-5.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -0.208 -12.371 -14.160 1.00 0.00 N ATOM 46 CA GLN A 49 -0.807 -11.043 -14.494 1.00 0.00 C ATOM 47 C GLN A 49 0.295 -10.045 -14.864 1.00 0.00 C ATOM 48 O GLN A 49 0.079 -9.132 -15.638 1.00 0.00 O ATOM 49 CB GLN A 49 -1.525 -10.600 -13.219 1.00 0.00 C ATOM 50 CG GLN A 49 -2.638 -11.597 -12.886 1.00 0.00 C ATOM 51 CD GLN A 49 -2.939 -11.545 -11.387 1.00 0.00 C ATOM 52 OE1 GLN A 49 -2.069 -11.780 -10.573 1.00 0.00 O ATOM 53 NE2 GLN A 49 -4.144 -11.245 -10.987 1.00 0.00 N ATOM 0 HA GLN A 49 -1.486 -11.098 -15.345 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.817 -10.540 -12.393 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.944 -9.603 -13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.536 -11.359 -13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.336 -12.604 -13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.874 -11.048 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.356 -11.208 -9.990 1.00 0.00 H new ATOM 62 N CYS A 50 1.471 -10.217 -14.317 1.00 0.00 N ATOM 63 CA CYS A 50 2.595 -9.284 -14.632 1.00 0.00 C ATOM 64 C CYS A 50 3.689 -10.023 -15.407 1.00 0.00 C ATOM 65 O CYS A 50 4.862 -9.725 -15.276 1.00 0.00 O ATOM 66 CB CYS A 50 3.121 -8.822 -13.272 1.00 0.00 C ATOM 67 SG CYS A 50 1.829 -7.896 -12.404 1.00 0.00 S ATOM 0 H CYS A 50 1.702 -10.966 -13.664 1.00 0.00 H new ATOM 0 HA CYS A 50 2.276 -8.445 -15.251 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.427 -9.683 -12.678 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.004 -8.196 -13.405 1.00 0.00 H new ATOM 72 N ALA A 51 3.310 -10.985 -16.209 1.00 0.00 N ATOM 73 CA ALA A 51 4.322 -11.753 -16.997 1.00 0.00 C ATOM 74 C ALA A 51 4.813 -10.923 -18.187 1.00 0.00 C ATOM 75 O ALA A 51 5.996 -10.869 -18.469 1.00 0.00 O ATOM 76 CB ALA A 51 3.587 -13.003 -17.482 1.00 0.00 C ATOM 0 H ALA A 51 2.342 -11.273 -16.353 1.00 0.00 H new ATOM 0 HA ALA A 51 5.200 -12.003 -16.402 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.267 -13.620 -18.070 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.232 -13.572 -16.623 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.738 -12.709 -18.099 1.00 0.00 H new ATOM 82 N SER A 52 3.912 -10.282 -18.887 1.00 0.00 N ATOM 83 CA SER A 52 4.320 -9.454 -20.063 1.00 0.00 C ATOM 84 C SER A 52 4.355 -7.967 -19.693 1.00 0.00 C ATOM 85 O SER A 52 4.254 -7.107 -20.547 1.00 0.00 O ATOM 86 CB SER A 52 3.249 -9.717 -21.120 1.00 0.00 C ATOM 87 OG SER A 52 3.428 -11.021 -21.657 1.00 0.00 O ATOM 0 H SER A 52 2.910 -10.296 -18.695 1.00 0.00 H new ATOM 0 HA SER A 52 5.319 -9.710 -20.416 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.256 -9.626 -20.679 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.314 -8.973 -21.913 1.00 0.00 H new ATOM 0 HG SER A 52 2.741 -11.193 -22.334 1.00 0.00 H new ATOM 93 N SER A 53 4.501 -7.655 -18.424 1.00 0.00 N ATOM 94 CA SER A 53 4.547 -6.221 -17.985 1.00 0.00 C ATOM 95 C SER A 53 3.353 -5.431 -18.557 1.00 0.00 C ATOM 96 O SER A 53 3.498 -4.722 -19.534 1.00 0.00 O ATOM 97 CB SER A 53 5.865 -5.675 -18.538 1.00 0.00 C ATOM 98 OG SER A 53 6.016 -4.318 -18.139 1.00 0.00 O ATOM 0 H SER A 53 4.591 -8.336 -17.670 1.00 0.00 H new ATOM 0 HA SER A 53 4.487 -6.129 -16.900 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.701 -6.269 -18.170 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.875 -5.750 -19.625 1.00 0.00 H new ATOM 0 HG SER A 53 6.860 -3.966 -18.490 1.00 0.00 H new ATOM 104 N PRO A 54 2.203 -5.573 -17.931 1.00 0.00 N ATOM 105 CA PRO A 54 0.997 -4.851 -18.407 1.00 0.00 C ATOM 106 C PRO A 54 1.103 -3.359 -18.077 1.00 0.00 C ATOM 107 O PRO A 54 0.549 -2.522 -18.764 1.00 0.00 O ATOM 108 CB PRO A 54 -0.144 -5.499 -17.626 1.00 0.00 C ATOM 109 CG PRO A 54 0.494 -6.048 -16.391 1.00 0.00 C ATOM 110 CD PRO A 54 1.915 -6.400 -16.746 1.00 0.00 C ATOM 0 HA PRO A 54 0.858 -4.916 -19.486 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.917 -4.771 -17.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.622 -6.288 -18.207 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.469 -5.314 -15.585 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.044 -6.928 -16.038 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.598 -6.175 -15.927 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.020 -7.462 -16.966 1.00 0.00 H new ATOM 118 N CYS A 55 1.809 -3.025 -17.027 1.00 0.00 N ATOM 119 CA CYS A 55 1.956 -1.586 -16.641 1.00 0.00 C ATOM 120 C CYS A 55 2.655 -0.813 -17.764 1.00 0.00 C ATOM 121 O CYS A 55 3.130 -1.393 -18.722 1.00 0.00 O ATOM 122 CB CYS A 55 2.821 -1.584 -15.374 1.00 0.00 C ATOM 123 SG CYS A 55 2.026 -2.562 -14.069 1.00 0.00 S ATOM 0 H CYS A 55 2.291 -3.687 -16.419 1.00 0.00 H new ATOM 0 HA CYS A 55 0.991 -1.109 -16.468 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.806 -1.994 -15.597 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.972 -0.561 -15.030 1.00 0.00 H new ATOM 128 N GLN A 56 2.723 0.490 -17.651 1.00 0.00 N ATOM 129 CA GLN A 56 3.392 1.305 -18.709 1.00 0.00 C ATOM 130 C GLN A 56 4.431 2.240 -18.081 1.00 0.00 C ATOM 131 O GLN A 56 4.567 2.311 -16.875 1.00 0.00 O ATOM 132 CB GLN A 56 2.270 2.115 -19.360 1.00 0.00 C ATOM 133 CG GLN A 56 1.610 1.287 -20.467 1.00 0.00 C ATOM 134 CD GLN A 56 0.329 0.642 -19.934 1.00 0.00 C ATOM 135 OE1 GLN A 56 -0.316 1.182 -19.057 1.00 0.00 O ATOM 136 NE2 GLN A 56 -0.070 -0.496 -20.430 1.00 0.00 N ATOM 0 H GLN A 56 2.343 1.025 -16.870 1.00 0.00 H new ATOM 0 HA GLN A 56 3.919 0.684 -19.433 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.529 2.395 -18.611 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.670 3.041 -19.774 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.380 1.923 -21.322 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.297 0.517 -20.818 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.471 -0.949 -21.166 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.923 -0.933 -20.082 1.00 0.00 H new ATOM 145 N ASN A 57 5.167 2.959 -18.897 1.00 0.00 N ATOM 146 CA ASN A 57 6.209 3.901 -18.368 1.00 0.00 C ATOM 147 C ASN A 57 7.155 3.181 -17.399 1.00 0.00 C ATOM 148 O ASN A 57 7.615 3.752 -16.429 1.00 0.00 O ATOM 149 CB ASN A 57 5.431 5.002 -17.640 1.00 0.00 C ATOM 150 CG ASN A 57 4.878 5.997 -18.661 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.625 6.589 -19.415 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.592 6.208 -18.719 1.00 0.00 N ATOM 0 H ASN A 57 5.090 2.934 -19.914 1.00 0.00 H new ATOM 0 HA ASN A 57 6.830 4.303 -19.169 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.615 4.565 -17.064 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.082 5.515 -16.932 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.214 6.870 -19.397 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.965 5.711 -18.086 1.00 0.00 H new ATOM 159 N GLY A 58 7.447 1.931 -17.661 1.00 0.00 N ATOM 160 CA GLY A 58 8.362 1.166 -16.764 1.00 0.00 C ATOM 161 C GLY A 58 7.739 1.050 -15.372 1.00 0.00 C ATOM 162 O GLY A 58 8.434 0.980 -14.376 1.00 0.00 O ATOM 0 H GLY A 58 7.089 1.408 -18.460 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.545 0.173 -17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.328 1.667 -16.700 1.00 0.00 H new ATOM 166 N GLY A 59 6.432 1.027 -15.298 1.00 0.00 N ATOM 167 CA GLY A 59 5.753 0.915 -13.973 1.00 0.00 C ATOM 168 C GLY A 59 5.996 -0.479 -13.392 1.00 0.00 C ATOM 169 O GLY A 59 6.260 -1.423 -14.114 1.00 0.00 O ATOM 0 H GLY A 59 5.805 1.081 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.134 1.676 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.683 1.093 -14.084 1.00 0.00 H new ATOM 173 N SER A 60 5.908 -0.613 -12.093 1.00 0.00 N ATOM 174 CA SER A 60 6.134 -1.946 -11.456 1.00 0.00 C ATOM 175 C SER A 60 4.808 -2.700 -11.327 1.00 0.00 C ATOM 176 O SER A 60 3.889 -2.248 -10.669 1.00 0.00 O ATOM 177 CB SER A 60 6.711 -1.632 -10.077 1.00 0.00 C ATOM 178 OG SER A 60 8.098 -1.345 -10.202 1.00 0.00 O ATOM 0 H SER A 60 5.689 0.144 -11.445 1.00 0.00 H new ATOM 0 HA SER A 60 6.802 -2.578 -12.042 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.190 -0.781 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.562 -2.478 -9.406 1.00 0.00 H new ATOM 0 HG SER A 60 8.471 -1.141 -9.319 1.00 0.00 H new ATOM 183 N CYS A 61 4.706 -3.846 -11.950 1.00 0.00 N ATOM 184 CA CYS A 61 3.442 -4.640 -11.871 1.00 0.00 C ATOM 185 C CYS A 61 3.492 -5.598 -10.679 1.00 0.00 C ATOM 186 O CYS A 61 4.423 -6.368 -10.530 1.00 0.00 O ATOM 187 CB CYS A 61 3.382 -5.419 -13.184 1.00 0.00 C ATOM 188 SG CYS A 61 1.732 -6.135 -13.388 1.00 0.00 S ATOM 0 H CYS A 61 5.446 -4.268 -12.512 1.00 0.00 H new ATOM 0 HA CYS A 61 2.565 -4.008 -11.732 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.609 -4.759 -14.021 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.135 -6.207 -13.186 1.00 0.00 H new ATOM 193 N LYS A 62 2.495 -5.556 -9.831 1.00 0.00 N ATOM 194 CA LYS A 62 2.474 -6.463 -8.644 1.00 0.00 C ATOM 195 C LYS A 62 1.298 -7.438 -8.745 1.00 0.00 C ATOM 196 O LYS A 62 0.223 -7.082 -9.188 1.00 0.00 O ATOM 197 CB LYS A 62 2.302 -5.536 -7.441 1.00 0.00 C ATOM 198 CG LYS A 62 3.123 -6.067 -6.264 1.00 0.00 C ATOM 199 CD LYS A 62 4.536 -5.485 -6.322 1.00 0.00 C ATOM 200 CE LYS A 62 5.204 -5.627 -4.953 1.00 0.00 C ATOM 201 NZ LYS A 62 5.997 -4.378 -4.781 1.00 0.00 N ATOM 0 H LYS A 62 1.693 -4.931 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 62 3.379 -7.065 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.625 -4.527 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.249 -5.473 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.645 -5.796 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.165 -7.156 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.123 -6.003 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.496 -4.435 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.463 -5.736 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.843 -6.509 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.486 -4.401 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.699 -4.304 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.361 -3.556 -4.815 1.00 0.00 H new ATOM 215 N ASP A 63 1.498 -8.665 -8.335 1.00 0.00 N ATOM 216 CA ASP A 63 0.398 -9.673 -8.403 1.00 0.00 C ATOM 217 C ASP A 63 -0.468 -9.596 -7.141 1.00 0.00 C ATOM 218 O ASP A 63 -0.026 -9.919 -6.055 1.00 0.00 O ATOM 219 CB ASP A 63 1.104 -11.025 -8.486 1.00 0.00 C ATOM 220 CG ASP A 63 0.075 -12.123 -8.760 1.00 0.00 C ATOM 221 OD1 ASP A 63 -0.788 -12.322 -7.922 1.00 0.00 O ATOM 222 OD2 ASP A 63 0.167 -12.747 -9.805 1.00 0.00 O ATOM 0 H ASP A 63 2.379 -9.012 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.263 -9.506 -9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.853 -11.008 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.631 -11.230 -7.554 1.00 0.00 H new ATOM 227 N GLN A 64 -1.697 -9.170 -7.282 1.00 0.00 N ATOM 228 CA GLN A 64 -2.601 -9.069 -6.097 1.00 0.00 C ATOM 229 C GLN A 64 -3.738 -10.087 -6.211 1.00 0.00 C ATOM 230 O GLN A 64 -3.715 -10.962 -7.057 1.00 0.00 O ATOM 231 CB GLN A 64 -3.152 -7.643 -6.140 1.00 0.00 C ATOM 232 CG GLN A 64 -2.105 -6.674 -5.588 1.00 0.00 C ATOM 233 CD GLN A 64 -2.805 -5.511 -4.882 1.00 0.00 C ATOM 234 OE1 GLN A 64 -2.798 -4.398 -5.367 1.00 0.00 O ATOM 235 NE2 GLN A 64 -3.415 -5.725 -3.748 1.00 0.00 N ATOM 0 H GLN A 64 -2.114 -8.887 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.081 -9.277 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.409 -7.372 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.068 -7.578 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.446 -7.192 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.480 -6.298 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.421 -6.660 -3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.886 -4.957 -3.269 1.00 0.00 H new ATOM 244 N LEU A 65 -4.731 -9.979 -5.366 1.00 0.00 N ATOM 245 CA LEU A 65 -5.877 -10.939 -5.418 1.00 0.00 C ATOM 246 C LEU A 65 -6.693 -10.714 -6.694 1.00 0.00 C ATOM 247 O LEU A 65 -6.825 -9.604 -7.166 1.00 0.00 O ATOM 248 CB LEU A 65 -6.722 -10.631 -4.173 1.00 0.00 C ATOM 249 CG LEU A 65 -7.136 -11.934 -3.471 1.00 0.00 C ATOM 250 CD1 LEU A 65 -7.960 -12.804 -4.426 1.00 0.00 C ATOM 251 CD2 LEU A 65 -5.889 -12.704 -3.026 1.00 0.00 C ATOM 0 H LEU A 65 -4.799 -9.266 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.544 -11.977 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.153 -10.005 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.610 -10.066 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.740 -11.688 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.249 -13.725 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.855 -12.262 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.363 -13.045 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.189 -13.627 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.279 -12.943 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.310 -12.091 -2.335 1.00 0.00 H new ATOM 263 N GLN A 66 -7.245 -11.768 -7.250 1.00 0.00 N ATOM 264 CA GLN A 66 -8.063 -11.646 -8.502 1.00 0.00 C ATOM 265 C GLN A 66 -7.240 -10.996 -9.629 1.00 0.00 C ATOM 266 O GLN A 66 -6.642 -11.684 -10.435 1.00 0.00 O ATOM 267 CB GLN A 66 -9.282 -10.785 -8.128 1.00 0.00 C ATOM 268 CG GLN A 66 -10.514 -11.678 -7.956 1.00 0.00 C ATOM 269 CD GLN A 66 -10.309 -12.609 -6.760 1.00 0.00 C ATOM 270 OE1 GLN A 66 -9.712 -13.660 -6.889 1.00 0.00 O ATOM 271 NE2 GLN A 66 -10.779 -12.266 -5.593 1.00 0.00 N ATOM 0 H GLN A 66 -7.163 -12.717 -6.886 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.374 -12.621 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.085 -10.240 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.466 -10.042 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.402 -11.065 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.681 -12.263 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.280 -11.384 -5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.646 -12.879 -4.789 1.00 0.00 H new ATOM 280 N SER A 67 -7.202 -9.684 -9.695 1.00 0.00 N ATOM 281 CA SER A 67 -6.416 -9.007 -10.770 1.00 0.00 C ATOM 282 C SER A 67 -5.051 -8.569 -10.231 1.00 0.00 C ATOM 283 O SER A 67 -4.575 -9.081 -9.236 1.00 0.00 O ATOM 284 CB SER A 67 -7.253 -7.791 -11.165 1.00 0.00 C ATOM 285 OG SER A 67 -8.596 -8.198 -11.388 1.00 0.00 O ATOM 0 H SER A 67 -7.682 -9.056 -9.050 1.00 0.00 H new ATOM 0 HA SER A 67 -6.225 -9.663 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.215 -7.038 -10.378 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.846 -7.332 -12.066 1.00 0.00 H new ATOM 0 HG SER A 67 -9.136 -7.420 -11.640 1.00 0.00 H new ATOM 291 N TYR A 68 -4.422 -7.626 -10.886 1.00 0.00 N ATOM 292 CA TYR A 68 -3.084 -7.147 -10.420 1.00 0.00 C ATOM 293 C TYR A 68 -3.108 -5.634 -10.201 1.00 0.00 C ATOM 294 O TYR A 68 -4.156 -5.016 -10.182 1.00 0.00 O ATOM 295 CB TYR A 68 -2.104 -7.524 -11.538 1.00 0.00 C ATOM 296 CG TYR A 68 -2.525 -6.879 -12.841 1.00 0.00 C ATOM 297 CD1 TYR A 68 -2.081 -5.590 -13.160 1.00 0.00 C ATOM 298 CD2 TYR A 68 -3.358 -7.573 -13.727 1.00 0.00 C ATOM 299 CE1 TYR A 68 -2.472 -4.994 -14.365 1.00 0.00 C ATOM 300 CE2 TYR A 68 -3.748 -6.976 -14.933 1.00 0.00 C ATOM 301 CZ TYR A 68 -3.305 -5.688 -15.251 1.00 0.00 C ATOM 302 OH TYR A 68 -3.689 -5.100 -16.440 1.00 0.00 O ATOM 0 H TYR A 68 -4.777 -7.166 -11.724 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.796 -7.596 -9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.097 -7.202 -11.273 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.072 -8.607 -11.654 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.437 -5.056 -12.477 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.700 -8.568 -13.481 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.131 -3.999 -14.611 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.391 -7.510 -15.617 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.265 -5.716 -16.939 1.00 0.00 H new ATOM 312 N ILE A 69 -1.957 -5.039 -10.027 1.00 0.00 N ATOM 313 CA ILE A 69 -1.898 -3.567 -9.797 1.00 0.00 C ATOM 314 C ILE A 69 -0.594 -2.987 -10.355 1.00 0.00 C ATOM 315 O ILE A 69 0.438 -3.633 -10.339 1.00 0.00 O ATOM 316 CB ILE A 69 -1.969 -3.418 -8.272 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.982 -1.933 -7.900 1.00 0.00 C ATOM 318 CG2 ILE A 69 -0.762 -4.100 -7.619 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.901 -1.722 -6.696 1.00 0.00 C ATOM 0 H ILE A 69 -1.053 -5.512 -10.034 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.703 -3.029 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.883 -3.891 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.972 -1.596 -7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.328 -1.338 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.823 -3.988 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.760 -5.160 -7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.157 -3.638 -7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.913 -0.666 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.911 -2.044 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.535 -2.306 -5.852 1.00 0.00 H new ATOM 331 N CYS A 70 -0.636 -1.776 -10.850 1.00 0.00 N ATOM 332 CA CYS A 70 0.595 -1.147 -11.414 1.00 0.00 C ATOM 333 C CYS A 70 1.097 -0.033 -10.492 1.00 0.00 C ATOM 334 O CYS A 70 0.396 0.924 -10.223 1.00 0.00 O ATOM 335 CB CYS A 70 0.166 -0.567 -12.762 1.00 0.00 C ATOM 336 SG CYS A 70 0.125 -1.881 -14.005 1.00 0.00 S ATOM 0 H CYS A 70 -1.473 -1.195 -10.888 1.00 0.00 H new ATOM 0 HA CYS A 70 1.409 -1.865 -11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.818 -0.106 -12.674 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.859 0.216 -13.069 1.00 0.00 H new ATOM 341 N PHE A 71 2.311 -0.149 -10.016 1.00 0.00 N ATOM 342 CA PHE A 71 2.873 0.905 -9.120 1.00 0.00 C ATOM 343 C PHE A 71 3.576 1.969 -9.964 1.00 0.00 C ATOM 344 O PHE A 71 4.691 1.780 -10.415 1.00 0.00 O ATOM 345 CB PHE A 71 3.875 0.176 -8.225 1.00 0.00 C ATOM 346 CG PHE A 71 3.137 -0.525 -7.110 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.563 -1.781 -7.332 1.00 0.00 C ATOM 348 CD2 PHE A 71 3.028 0.082 -5.853 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.878 -2.432 -6.298 1.00 0.00 C ATOM 350 CE2 PHE A 71 2.344 -0.567 -4.819 1.00 0.00 C ATOM 351 CZ PHE A 71 1.769 -1.824 -5.042 1.00 0.00 C ATOM 0 H PHE A 71 2.938 -0.930 -10.210 1.00 0.00 H new ATOM 0 HA PHE A 71 2.107 1.410 -8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.443 -0.547 -8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.592 0.885 -7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.648 -2.249 -8.301 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.472 1.051 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.435 -3.402 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.260 -0.099 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.241 -2.325 -4.244 1.00 0.00 H new ATOM 361 N CYS A 72 2.925 3.081 -10.192 1.00 0.00 N ATOM 362 CA CYS A 72 3.540 4.161 -11.023 1.00 0.00 C ATOM 363 C CYS A 72 4.550 4.960 -10.198 1.00 0.00 C ATOM 364 O CYS A 72 4.783 4.680 -9.038 1.00 0.00 O ATOM 365 CB CYS A 72 2.379 5.069 -11.455 1.00 0.00 C ATOM 366 SG CYS A 72 1.078 4.114 -12.294 1.00 0.00 S ATOM 0 H CYS A 72 1.991 3.289 -9.838 1.00 0.00 H new ATOM 0 HA CYS A 72 4.073 3.749 -11.880 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.961 5.570 -10.582 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.750 5.847 -12.122 1.00 0.00 H new ATOM 371 N LEU A 73 5.145 5.959 -10.797 1.00 0.00 N ATOM 372 CA LEU A 73 6.139 6.799 -10.068 1.00 0.00 C ATOM 373 C LEU A 73 5.443 8.035 -9.478 1.00 0.00 C ATOM 374 O LEU A 73 4.299 8.297 -9.797 1.00 0.00 O ATOM 375 CB LEU A 73 7.156 7.207 -11.137 1.00 0.00 C ATOM 376 CG LEU A 73 8.268 6.160 -11.213 1.00 0.00 C ATOM 377 CD1 LEU A 73 9.088 6.378 -12.486 1.00 0.00 C ATOM 378 CD2 LEU A 73 9.181 6.293 -9.992 1.00 0.00 C ATOM 0 H LEU A 73 4.983 6.230 -11.767 1.00 0.00 H new ATOM 0 HA LEU A 73 6.610 6.273 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.664 7.300 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.578 8.183 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 73 7.826 5.164 -11.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.881 5.632 -12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.440 6.283 -13.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.529 7.375 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.973 5.546 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.622 7.290 -9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.599 6.138 -9.084 1.00 0.00 H new ATOM 390 N PRO A 74 6.144 8.767 -8.640 1.00 0.00 N ATOM 391 CA PRO A 74 5.545 9.981 -8.027 1.00 0.00 C ATOM 392 C PRO A 74 5.279 11.051 -9.092 1.00 0.00 C ATOM 393 O PRO A 74 4.495 11.959 -8.882 1.00 0.00 O ATOM 394 CB PRO A 74 6.604 10.441 -7.025 1.00 0.00 C ATOM 395 CG PRO A 74 7.884 9.871 -7.539 1.00 0.00 C ATOM 396 CD PRO A 74 7.531 8.560 -8.187 1.00 0.00 C ATOM 0 HA PRO A 74 4.581 9.791 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.649 11.529 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.384 10.078 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.350 10.546 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.598 9.725 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.196 8.331 -9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.605 7.731 -7.483 1.00 0.00 H new ATOM 404 N ALA A 75 5.916 10.950 -10.235 1.00 0.00 N ATOM 405 CA ALA A 75 5.690 11.956 -11.314 1.00 0.00 C ATOM 406 C ALA A 75 4.846 11.344 -12.441 1.00 0.00 C ATOM 407 O ALA A 75 4.899 11.789 -13.572 1.00 0.00 O ATOM 408 CB ALA A 75 7.087 12.311 -11.823 1.00 0.00 C ATOM 0 H ALA A 75 6.582 10.213 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 75 5.152 12.833 -10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.007 13.049 -12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.678 12.724 -11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.574 11.414 -12.205 1.00 0.00 H new ATOM 414 N PHE A 76 4.071 10.329 -12.139 1.00 0.00 N ATOM 415 CA PHE A 76 3.224 9.688 -13.190 1.00 0.00 C ATOM 416 C PHE A 76 1.809 9.447 -12.655 1.00 0.00 C ATOM 417 O PHE A 76 1.558 9.561 -11.470 1.00 0.00 O ATOM 418 CB PHE A 76 3.911 8.358 -13.498 1.00 0.00 C ATOM 419 CG PHE A 76 5.076 8.596 -14.426 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.317 8.987 -13.907 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.918 8.426 -15.807 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.398 9.207 -14.768 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.999 8.646 -16.668 1.00 0.00 C ATOM 424 CZ PHE A 76 7.239 9.038 -16.149 1.00 0.00 C ATOM 0 H PHE A 76 3.990 9.918 -11.209 1.00 0.00 H new ATOM 0 HA PHE A 76 3.127 10.313 -14.078 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.257 7.893 -12.575 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.202 7.668 -13.956 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.440 9.119 -12.842 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.961 8.125 -16.208 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.355 9.507 -14.367 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.877 8.513 -17.733 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.073 9.210 -16.814 1.00 0.00 H new ATOM 434 N GLU A 77 0.887 9.114 -13.522 1.00 0.00 N ATOM 435 CA GLU A 77 -0.515 8.862 -13.073 1.00 0.00 C ATOM 436 C GLU A 77 -1.190 7.837 -13.991 1.00 0.00 C ATOM 437 O GLU A 77 -0.638 7.437 -15.000 1.00 0.00 O ATOM 438 CB GLU A 77 -1.214 10.218 -13.179 1.00 0.00 C ATOM 439 CG GLU A 77 -2.195 10.380 -12.015 1.00 0.00 C ATOM 440 CD GLU A 77 -1.471 11.002 -10.820 1.00 0.00 C ATOM 441 OE1 GLU A 77 -0.509 10.407 -10.359 1.00 0.00 O ATOM 442 OE2 GLU A 77 -1.889 12.062 -10.385 1.00 0.00 O ATOM 0 H GLU A 77 1.045 9.006 -14.524 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.558 8.458 -12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.477 11.021 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.744 10.292 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.031 11.011 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.610 9.411 -11.738 1.00 0.00 H new ATOM 449 N GLY A 78 -2.380 7.414 -13.646 1.00 0.00 N ATOM 450 CA GLY A 78 -3.101 6.417 -14.490 1.00 0.00 C ATOM 451 C GLY A 78 -3.114 5.060 -13.784 1.00 0.00 C ATOM 452 O GLY A 78 -2.190 4.715 -13.071 1.00 0.00 O ATOM 0 H GLY A 78 -2.884 7.718 -12.813 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.122 6.752 -14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.614 6.328 -15.461 1.00 0.00 H new ATOM 456 N ARG A 79 -4.154 4.289 -13.980 1.00 0.00 N ATOM 457 CA ARG A 79 -4.234 2.947 -13.322 1.00 0.00 C ATOM 458 C ARG A 79 -3.071 2.066 -13.785 1.00 0.00 C ATOM 459 O ARG A 79 -2.467 1.357 -13.001 1.00 0.00 O ATOM 460 CB ARG A 79 -5.570 2.353 -13.774 1.00 0.00 C ATOM 461 CG ARG A 79 -6.190 1.556 -12.624 1.00 0.00 C ATOM 462 CD ARG A 79 -7.714 1.673 -12.685 1.00 0.00 C ATOM 463 NE ARG A 79 -8.135 0.691 -13.731 1.00 0.00 N ATOM 464 CZ ARG A 79 -9.328 0.133 -13.705 1.00 0.00 C ATOM 465 NH1 ARG A 79 -10.270 0.566 -12.899 1.00 0.00 N ATOM 466 NH2 ARG A 79 -9.582 -0.866 -14.506 1.00 0.00 N ATOM 0 H ARG A 79 -4.952 4.530 -14.568 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.171 3.017 -12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.247 3.149 -14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.419 1.706 -14.638 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.892 0.510 -12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.824 1.931 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.167 1.441 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.022 2.685 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.486 0.448 -14.479 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.086 1.351 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.186 0.117 -12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.861 -1.206 -15.142 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.502 -1.307 -14.496 1.00 0.00 H new ATOM 480 N ASN A 80 -2.754 2.110 -15.054 1.00 0.00 N ATOM 481 CA ASN A 80 -1.628 1.284 -15.581 1.00 0.00 C ATOM 482 C ASN A 80 -0.425 2.177 -15.895 1.00 0.00 C ATOM 483 O ASN A 80 0.369 1.883 -16.767 1.00 0.00 O ATOM 484 CB ASN A 80 -2.170 0.644 -16.859 1.00 0.00 C ATOM 485 CG ASN A 80 -3.267 -0.360 -16.503 1.00 0.00 C ATOM 486 OD1 ASN A 80 -4.435 -0.024 -16.496 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.940 -1.588 -16.205 1.00 0.00 N ATOM 0 H ASN A 80 -3.229 2.685 -15.750 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.291 0.536 -14.864 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.567 1.412 -17.523 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.365 0.143 -17.397 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.665 -2.265 -15.966 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.960 -1.870 -16.211 1.00 0.00 H new ATOM 494 N CYS A 81 -0.287 3.272 -15.185 1.00 0.00 N ATOM 495 CA CYS A 81 0.862 4.209 -15.426 1.00 0.00 C ATOM 496 C CYS A 81 0.887 4.655 -16.892 1.00 0.00 C ATOM 497 O CYS A 81 1.914 4.614 -17.544 1.00 0.00 O ATOM 498 CB CYS A 81 2.141 3.423 -15.085 1.00 0.00 C ATOM 499 SG CYS A 81 2.053 2.730 -13.405 1.00 0.00 S ATOM 0 H CYS A 81 -0.925 3.560 -14.443 1.00 0.00 H new ATOM 0 HA CYS A 81 0.774 5.107 -14.814 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.281 2.619 -15.807 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.008 4.079 -15.167 1.00 0.00 H new ATOM 504 N GLU A 82 -0.237 5.077 -17.412 1.00 0.00 N ATOM 505 CA GLU A 82 -0.288 5.525 -18.837 1.00 0.00 C ATOM 506 C GLU A 82 -0.533 7.039 -18.921 1.00 0.00 C ATOM 507 O GLU A 82 -0.993 7.541 -19.930 1.00 0.00 O ATOM 508 CB GLU A 82 -1.455 4.750 -19.460 1.00 0.00 C ATOM 509 CG GLU A 82 -2.754 5.061 -18.709 1.00 0.00 C ATOM 510 CD GLU A 82 -3.950 4.593 -19.540 1.00 0.00 C ATOM 511 OE1 GLU A 82 -3.912 4.766 -20.747 1.00 0.00 O ATOM 512 OE2 GLU A 82 -4.883 4.069 -18.955 1.00 0.00 O ATOM 0 H GLU A 82 -1.124 5.131 -16.910 1.00 0.00 H new ATOM 0 HA GLU A 82 0.650 5.334 -19.358 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.560 5.019 -20.511 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.252 3.680 -19.423 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.754 4.563 -17.740 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.828 6.131 -18.517 1.00 0.00 H new ATOM 519 N THR A 83 -0.227 7.767 -17.874 1.00 0.00 N ATOM 520 CA THR A 83 -0.441 9.245 -17.897 1.00 0.00 C ATOM 521 C THR A 83 0.755 9.961 -17.262 1.00 0.00 C ATOM 522 O THR A 83 0.899 9.991 -16.055 1.00 0.00 O ATOM 523 CB THR A 83 -1.706 9.475 -17.072 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.754 8.660 -17.577 1.00 0.00 O ATOM 525 CG2 THR A 83 -2.114 10.948 -17.159 1.00 0.00 C ATOM 0 H THR A 83 0.162 7.400 -17.005 1.00 0.00 H new ATOM 0 HA THR A 83 -0.541 9.633 -18.911 1.00 0.00 H new ATOM 0 HB THR A 83 -1.513 9.215 -16.031 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.566 8.806 -17.048 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.017 11.111 -16.570 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.309 11.572 -16.770 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.307 11.211 -18.199 1.00 0.00 H new ATOM 533 N HIS A 84 1.609 10.536 -18.070 1.00 0.00 N ATOM 534 CA HIS A 84 2.800 11.255 -17.524 1.00 0.00 C ATOM 535 C HIS A 84 2.382 12.616 -16.960 1.00 0.00 C ATOM 536 O HIS A 84 1.862 13.457 -17.670 1.00 0.00 O ATOM 537 CB HIS A 84 3.740 11.435 -18.717 1.00 0.00 C ATOM 538 CG HIS A 84 5.165 11.461 -18.236 1.00 0.00 C ATOM 539 ND1 HIS A 84 6.210 10.960 -18.996 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.734 11.925 -17.076 1.00 0.00 C ATOM 541 CE1 HIS A 84 7.343 11.132 -18.291 1.00 0.00 C ATOM 542 NE2 HIS A 84 7.109 11.716 -17.112 1.00 0.00 N ATOM 0 H HIS A 84 1.533 10.539 -19.087 1.00 0.00 H new ATOM 0 HA HIS A 84 3.276 10.706 -16.712 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.601 10.622 -19.429 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.505 12.361 -19.241 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.196 12.383 -16.259 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.322 10.834 -18.636 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.792 11.957 -16.393 1.00 0.00 H new ATOM 550 N LYS A 85 2.605 12.836 -15.689 1.00 0.00 N ATOM 551 CA LYS A 85 2.224 14.140 -15.070 1.00 0.00 C ATOM 552 C LYS A 85 3.321 15.181 -15.307 1.00 0.00 C ATOM 553 O LYS A 85 3.160 16.093 -16.093 1.00 0.00 O ATOM 554 CB LYS A 85 2.079 13.844 -13.577 1.00 0.00 C ATOM 555 CG LYS A 85 0.717 13.198 -13.313 1.00 0.00 C ATOM 556 CD LYS A 85 -0.368 14.275 -13.322 1.00 0.00 C ATOM 557 CE LYS A 85 -1.558 13.808 -12.479 1.00 0.00 C ATOM 558 NZ LYS A 85 -2.710 14.621 -12.958 1.00 0.00 N ATOM 0 H LYS A 85 3.036 12.166 -15.052 1.00 0.00 H new ATOM 0 HA LYS A 85 1.306 14.545 -15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.878 13.180 -13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.174 14.765 -13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.505 12.447 -14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.726 12.684 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.029 15.209 -12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.689 14.474 -14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.743 12.742 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.376 13.968 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.565 14.358 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.508 15.630 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.863 14.443 -13.971 1.00 0.00 H new