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= 0.0188 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.0686 X(o=-0.05,f=0.069) USER MOD Single : A 49 GLN : amide:sc= -2.46 K(o=-2.5,f=-11!) 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= -0.0939 X(o=-0.094,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.4) 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= -0.833 K(o=-0.83,f=-4.9!) USER MOD Single : A 66 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 84 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -0.253 -12.238 -13.822 1.00 0.00 N ATOM 46 CA GLN A 49 -0.799 -10.919 -14.264 1.00 0.00 C ATOM 47 C GLN A 49 0.291 -10.097 -14.956 1.00 0.00 C ATOM 48 O GLN A 49 0.010 -9.267 -15.801 1.00 0.00 O ATOM 49 CB GLN A 49 -1.258 -10.229 -12.978 1.00 0.00 C ATOM 50 CG GLN A 49 -2.362 -11.057 -12.317 1.00 0.00 C ATOM 51 CD GLN A 49 -2.225 -10.972 -10.795 1.00 0.00 C ATOM 52 OE1 GLN A 49 -2.437 -9.929 -10.212 1.00 0.00 O ATOM 53 NE2 GLN A 49 -1.875 -12.035 -10.124 1.00 0.00 N ATOM 0 HA GLN A 49 -1.613 -11.029 -14.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.417 -10.115 -12.295 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.625 -9.227 -13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.341 -10.689 -12.625 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.295 -12.096 -12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.697 -12.912 -10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.780 -11.989 -9.109 1.00 0.00 H new ATOM 62 N CYS A 50 1.533 -10.325 -14.607 1.00 0.00 N ATOM 63 CA CYS A 50 2.648 -9.562 -15.244 1.00 0.00 C ATOM 64 C CYS A 50 3.332 -10.422 -16.313 1.00 0.00 C ATOM 65 O CYS A 50 4.498 -10.243 -16.612 1.00 0.00 O ATOM 66 CB CYS A 50 3.619 -9.249 -14.105 1.00 0.00 C ATOM 67 SG CYS A 50 4.872 -8.078 -14.683 1.00 0.00 S ATOM 0 H CYS A 50 1.822 -11.008 -13.907 1.00 0.00 H new ATOM 0 HA CYS A 50 2.298 -8.656 -15.739 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.078 -8.829 -13.257 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.096 -10.166 -13.757 1.00 0.00 H new ATOM 72 N ALA A 51 2.612 -11.352 -16.888 1.00 0.00 N ATOM 73 CA ALA A 51 3.213 -12.231 -17.941 1.00 0.00 C ATOM 74 C ALA A 51 3.720 -11.389 -19.116 1.00 0.00 C ATOM 75 O ALA A 51 4.638 -11.775 -19.815 1.00 0.00 O ATOM 76 CB ALA A 51 2.079 -13.153 -18.394 1.00 0.00 C ATOM 0 H ALA A 51 1.633 -11.542 -16.674 1.00 0.00 H new ATOM 0 HA ALA A 51 4.067 -12.793 -17.562 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.446 -13.828 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.722 -13.735 -17.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.261 -12.554 -18.793 1.00 0.00 H new ATOM 82 N SER A 52 3.128 -10.241 -19.336 1.00 0.00 N ATOM 83 CA SER A 52 3.571 -9.370 -20.466 1.00 0.00 C ATOM 84 C SER A 52 3.789 -7.930 -19.986 1.00 0.00 C ATOM 85 O SER A 52 3.738 -6.996 -20.762 1.00 0.00 O ATOM 86 CB SER A 52 2.429 -9.428 -21.479 1.00 0.00 C ATOM 87 OG SER A 52 1.980 -10.770 -21.605 1.00 0.00 O ATOM 0 H SER A 52 2.357 -9.870 -18.781 1.00 0.00 H new ATOM 0 HA SER A 52 4.517 -9.704 -20.892 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.609 -8.787 -21.156 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.766 -9.053 -22.445 1.00 0.00 H new ATOM 0 HG SER A 52 1.246 -10.810 -22.253 1.00 0.00 H new ATOM 93 N SER A 53 4.035 -7.743 -18.708 1.00 0.00 N ATOM 94 CA SER A 53 4.263 -6.362 -18.164 1.00 0.00 C ATOM 95 C SER A 53 3.134 -5.405 -18.595 1.00 0.00 C ATOM 96 O SER A 53 3.296 -4.652 -19.535 1.00 0.00 O ATOM 97 CB SER A 53 5.601 -5.913 -18.755 1.00 0.00 C ATOM 98 OG SER A 53 5.882 -4.587 -18.325 1.00 0.00 O ATOM 0 H SER A 53 4.088 -8.490 -18.016 1.00 0.00 H new ATOM 0 HA SER A 53 4.273 -6.356 -17.074 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.397 -6.587 -18.438 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.563 -5.955 -19.844 1.00 0.00 H new ATOM 0 HG SER A 53 6.739 -4.296 -18.700 1.00 0.00 H new ATOM 104 N PRO A 54 2.020 -5.461 -17.895 1.00 0.00 N ATOM 105 CA PRO A 54 0.877 -4.577 -18.235 1.00 0.00 C ATOM 106 C PRO A 54 1.178 -3.131 -17.829 1.00 0.00 C ATOM 107 O PRO A 54 0.678 -2.195 -18.422 1.00 0.00 O ATOM 108 CB PRO A 54 -0.276 -5.143 -17.410 1.00 0.00 C ATOM 109 CG PRO A 54 0.375 -5.843 -16.262 1.00 0.00 C ATOM 110 CD PRO A 54 1.716 -6.331 -16.746 1.00 0.00 C ATOM 0 HA PRO A 54 0.659 -4.554 -19.303 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.939 -4.350 -17.064 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.882 -5.831 -17.999 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.493 -5.167 -15.415 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.239 -6.677 -15.921 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.476 -6.246 -15.969 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.677 -7.380 -17.039 1.00 0.00 H new ATOM 118 N CYS A 55 1.993 -2.946 -16.820 1.00 0.00 N ATOM 119 CA CYS A 55 2.332 -1.561 -16.368 1.00 0.00 C ATOM 120 C CYS A 55 3.083 -0.819 -17.478 1.00 0.00 C ATOM 121 O CYS A 55 3.716 -1.428 -18.321 1.00 0.00 O ATOM 122 CB CYS A 55 3.234 -1.734 -15.140 1.00 0.00 C ATOM 123 SG CYS A 55 2.367 -2.673 -13.852 1.00 0.00 S ATOM 0 H CYS A 55 2.438 -3.695 -16.290 1.00 0.00 H new ATOM 0 HA CYS A 55 1.440 -0.981 -16.131 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.150 -2.252 -15.423 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.526 -0.757 -14.754 1.00 0.00 H new ATOM 128 N GLN A 56 3.016 0.489 -17.485 1.00 0.00 N ATOM 129 CA GLN A 56 3.724 1.275 -18.541 1.00 0.00 C ATOM 130 C GLN A 56 4.641 2.323 -17.904 1.00 0.00 C ATOM 131 O GLN A 56 4.645 2.510 -16.702 1.00 0.00 O ATOM 132 CB GLN A 56 2.612 1.951 -19.343 1.00 0.00 C ATOM 133 CG GLN A 56 2.998 1.986 -20.824 1.00 0.00 C ATOM 134 CD GLN A 56 1.742 1.829 -21.683 1.00 0.00 C ATOM 135 OE1 GLN A 56 1.382 2.724 -22.422 1.00 0.00 O ATOM 136 NE2 GLN A 56 1.056 0.720 -21.617 1.00 0.00 N ATOM 0 H GLN A 56 2.501 1.047 -16.804 1.00 0.00 H new ATOM 0 HA GLN A 56 4.355 0.645 -19.168 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.675 1.409 -19.213 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.448 2.964 -18.975 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.497 2.926 -21.059 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.705 1.187 -21.045 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.359 -0.031 -20.997 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.217 0.604 -22.186 1.00 0.00 H new ATOM 145 N ASN A 57 5.419 3.010 -18.706 1.00 0.00 N ATOM 146 CA ASN A 57 6.349 4.060 -18.170 1.00 0.00 C ATOM 147 C ASN A 57 7.226 3.494 -17.046 1.00 0.00 C ATOM 148 O ASN A 57 7.349 4.083 -15.988 1.00 0.00 O ATOM 149 CB ASN A 57 5.442 5.172 -17.635 1.00 0.00 C ATOM 150 CG ASN A 57 4.964 6.044 -18.798 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.643 6.971 -19.195 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.817 5.786 -19.364 1.00 0.00 N ATOM 0 H ASN A 57 5.451 2.889 -19.718 1.00 0.00 H new ATOM 0 HA ASN A 57 7.029 4.424 -18.941 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.587 4.740 -17.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.983 5.779 -16.909 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.490 6.362 -20.140 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.247 5.008 -19.031 1.00 0.00 H new ATOM 159 N GLY A 58 7.838 2.358 -17.273 1.00 0.00 N ATOM 160 CA GLY A 58 8.712 1.748 -16.226 1.00 0.00 C ATOM 161 C GLY A 58 7.884 1.438 -14.978 1.00 0.00 C ATOM 162 O GLY A 58 8.386 1.464 -13.869 1.00 0.00 O ATOM 0 H GLY A 58 7.769 1.826 -18.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.169 0.835 -16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.525 2.430 -15.975 1.00 0.00 H new ATOM 166 N GLY A 59 6.620 1.148 -15.152 1.00 0.00 N ATOM 167 CA GLY A 59 5.749 0.836 -13.981 1.00 0.00 C ATOM 168 C GLY A 59 6.079 -0.560 -13.451 1.00 0.00 C ATOM 169 O GLY A 59 6.317 -1.480 -14.211 1.00 0.00 O ATOM 0 H GLY A 59 6.153 1.114 -16.058 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.898 1.578 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.700 0.886 -14.272 1.00 0.00 H new ATOM 173 N SER A 60 6.089 -0.723 -12.152 1.00 0.00 N ATOM 174 CA SER A 60 6.399 -2.058 -11.561 1.00 0.00 C ATOM 175 C SER A 60 5.109 -2.861 -11.375 1.00 0.00 C ATOM 176 O SER A 60 4.168 -2.402 -10.755 1.00 0.00 O ATOM 177 CB SER A 60 7.042 -1.752 -10.209 1.00 0.00 C ATOM 178 OG SER A 60 8.201 -0.952 -10.410 1.00 0.00 O ATOM 0 H SER A 60 5.895 0.014 -11.474 1.00 0.00 H new ATOM 0 HA SER A 60 7.055 -2.652 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.333 -1.230 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.309 -2.679 -9.702 1.00 0.00 H new ATOM 0 HG SER A 60 8.615 -0.752 -9.544 1.00 0.00 H new ATOM 183 N CYS A 61 5.057 -4.050 -11.919 1.00 0.00 N ATOM 184 CA CYS A 61 3.828 -4.884 -11.791 1.00 0.00 C ATOM 185 C CYS A 61 3.883 -5.747 -10.523 1.00 0.00 C ATOM 186 O CYS A 61 4.885 -6.370 -10.227 1.00 0.00 O ATOM 187 CB CYS A 61 3.816 -5.746 -13.063 1.00 0.00 C ATOM 188 SG CYS A 61 5.224 -6.895 -13.086 1.00 0.00 S ATOM 0 H CYS A 61 5.816 -4.479 -12.448 1.00 0.00 H new ATOM 0 HA CYS A 61 2.922 -4.285 -11.698 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.883 -6.307 -13.117 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.853 -5.103 -13.942 1.00 0.00 H new ATOM 193 N LYS A 62 2.807 -5.786 -9.778 1.00 0.00 N ATOM 194 CA LYS A 62 2.781 -6.605 -8.530 1.00 0.00 C ATOM 195 C LYS A 62 1.583 -7.560 -8.561 1.00 0.00 C ATOM 196 O LYS A 62 0.443 -7.136 -8.608 1.00 0.00 O ATOM 197 CB LYS A 62 2.636 -5.590 -7.388 1.00 0.00 C ATOM 198 CG LYS A 62 3.898 -5.604 -6.518 1.00 0.00 C ATOM 199 CD LYS A 62 3.699 -6.567 -5.346 1.00 0.00 C ATOM 200 CE LYS A 62 5.059 -7.094 -4.882 1.00 0.00 C ATOM 201 NZ LYS A 62 4.937 -7.220 -3.403 1.00 0.00 N ATOM 0 H LYS A 62 1.943 -5.284 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 62 3.676 -7.216 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.475 -4.592 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.763 -5.832 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.759 -5.910 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.108 -4.601 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.195 -6.058 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.059 -7.396 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.288 -8.055 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.862 -6.410 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.831 -7.577 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.725 -6.289 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.169 -7.883 -3.173 1.00 0.00 H new ATOM 215 N ASP A 63 1.837 -8.843 -8.537 1.00 0.00 N ATOM 216 CA ASP A 63 0.718 -9.835 -8.567 1.00 0.00 C ATOM 217 C ASP A 63 -0.071 -9.784 -7.254 1.00 0.00 C ATOM 218 O ASP A 63 0.433 -10.137 -6.204 1.00 0.00 O ATOM 219 CB ASP A 63 1.386 -11.205 -8.747 1.00 0.00 C ATOM 220 CG ASP A 63 2.378 -11.458 -7.607 1.00 0.00 C ATOM 221 OD1 ASP A 63 3.489 -10.960 -7.691 1.00 0.00 O ATOM 222 OD2 ASP A 63 2.009 -12.148 -6.669 1.00 0.00 O ATOM 0 H ASP A 63 2.772 -9.248 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 63 0.011 -9.628 -9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.629 -11.989 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.903 -11.243 -9.706 1.00 0.00 H new ATOM 227 N GLN A 64 -1.304 -9.345 -7.309 1.00 0.00 N ATOM 228 CA GLN A 64 -2.133 -9.267 -6.070 1.00 0.00 C ATOM 229 C GLN A 64 -3.399 -10.115 -6.227 1.00 0.00 C ATOM 230 O GLN A 64 -3.578 -10.797 -7.219 1.00 0.00 O ATOM 231 CB GLN A 64 -2.491 -7.788 -5.924 1.00 0.00 C ATOM 232 CG GLN A 64 -1.310 -7.034 -5.311 1.00 0.00 C ATOM 233 CD GLN A 64 -1.260 -7.300 -3.805 1.00 0.00 C ATOM 234 OE1 GLN A 64 -1.675 -8.346 -3.348 1.00 0.00 O ATOM 235 NE2 GLN A 64 -0.766 -6.390 -3.011 1.00 0.00 N ATOM 0 H GLN A 64 -1.772 -9.037 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.605 -9.645 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.740 -7.366 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.373 -7.677 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.379 -7.354 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.410 -5.965 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.418 -5.512 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.728 -6.557 -2.005 1.00 0.00 H new ATOM 244 N LEU A 65 -4.275 -10.075 -5.255 1.00 0.00 N ATOM 245 CA LEU A 65 -5.534 -10.878 -5.341 1.00 0.00 C ATOM 246 C LEU A 65 -6.360 -10.438 -6.554 1.00 0.00 C ATOM 247 O LEU A 65 -6.336 -9.288 -6.941 1.00 0.00 O ATOM 248 CB LEU A 65 -6.292 -10.585 -4.044 1.00 0.00 C ATOM 249 CG LEU A 65 -7.258 -11.733 -3.746 1.00 0.00 C ATOM 250 CD1 LEU A 65 -7.371 -11.927 -2.233 1.00 0.00 C ATOM 251 CD2 LEU A 65 -8.637 -11.400 -4.320 1.00 0.00 C ATOM 0 H LEU A 65 -4.173 -9.521 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.332 -11.943 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.590 -10.464 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.841 -9.648 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.884 -12.649 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.059 -12.745 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.389 -12.163 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.745 -11.011 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.326 -12.217 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.010 -10.483 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.559 -11.262 -5.398 1.00 0.00 H new ATOM 263 N GLN A 66 -7.090 -11.352 -7.148 1.00 0.00 N ATOM 264 CA GLN A 66 -7.931 -11.015 -8.345 1.00 0.00 C ATOM 265 C GLN A 66 -7.066 -10.408 -9.465 1.00 0.00 C ATOM 266 O GLN A 66 -6.608 -11.115 -10.344 1.00 0.00 O ATOM 267 CB GLN A 66 -8.989 -10.017 -7.849 1.00 0.00 C ATOM 268 CG GLN A 66 -10.203 -10.782 -7.319 1.00 0.00 C ATOM 269 CD GLN A 66 -11.231 -10.948 -8.440 1.00 0.00 C ATOM 270 OE1 GLN A 66 -11.432 -10.051 -9.234 1.00 0.00 O ATOM 271 NE2 GLN A 66 -11.895 -12.068 -8.538 1.00 0.00 N ATOM 0 H GLN A 66 -7.141 -12.327 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.400 -11.902 -8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.571 -9.388 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.289 -9.355 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.896 -11.759 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.647 -10.245 -6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.726 -12.821 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.583 -12.190 -9.281 1.00 0.00 H new ATOM 280 N SER A 67 -6.835 -9.116 -9.444 1.00 0.00 N ATOM 281 CA SER A 67 -6.000 -8.482 -10.507 1.00 0.00 C ATOM 282 C SER A 67 -4.613 -8.144 -9.954 1.00 0.00 C ATOM 283 O SER A 67 -4.188 -8.682 -8.951 1.00 0.00 O ATOM 284 CB SER A 67 -6.749 -7.208 -10.894 1.00 0.00 C ATOM 285 OG SER A 67 -6.689 -6.283 -9.815 1.00 0.00 O ATOM 0 H SER A 67 -7.190 -8.475 -8.735 1.00 0.00 H new ATOM 0 HA SER A 67 -5.850 -9.140 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.307 -6.770 -11.789 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.787 -7.440 -11.132 1.00 0.00 H new ATOM 0 HG SER A 67 -7.167 -5.463 -10.060 1.00 0.00 H new ATOM 291 N TYR A 68 -3.908 -7.253 -10.605 1.00 0.00 N ATOM 292 CA TYR A 68 -2.545 -6.871 -10.122 1.00 0.00 C ATOM 293 C TYR A 68 -2.498 -5.380 -9.788 1.00 0.00 C ATOM 294 O TYR A 68 -3.515 -4.717 -9.723 1.00 0.00 O ATOM 295 CB TYR A 68 -1.594 -7.202 -11.281 1.00 0.00 C ATOM 296 CG TYR A 68 -2.003 -6.442 -12.525 1.00 0.00 C ATOM 297 CD1 TYR A 68 -1.524 -5.144 -12.743 1.00 0.00 C ATOM 298 CD2 TYR A 68 -2.860 -7.037 -13.459 1.00 0.00 C ATOM 299 CE1 TYR A 68 -1.902 -4.443 -13.893 1.00 0.00 C ATOM 300 CE2 TYR A 68 -3.238 -6.335 -14.610 1.00 0.00 C ATOM 301 CZ TYR A 68 -2.758 -5.037 -14.826 1.00 0.00 C ATOM 302 OH TYR A 68 -3.131 -4.345 -15.961 1.00 0.00 O ATOM 0 H TYR A 68 -4.217 -6.773 -11.450 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.269 -7.405 -9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.571 -6.943 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.609 -8.274 -11.479 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.863 -4.684 -12.023 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.230 -8.038 -13.291 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.532 -3.442 -14.061 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.899 -6.794 -15.330 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.727 -4.903 -16.503 1.00 0.00 H new ATOM 312 N ILE A 69 -1.320 -4.856 -9.566 1.00 0.00 N ATOM 313 CA ILE A 69 -1.196 -3.410 -9.223 1.00 0.00 C ATOM 314 C ILE A 69 0.117 -2.840 -9.775 1.00 0.00 C ATOM 315 O ILE A 69 1.185 -3.364 -9.520 1.00 0.00 O ATOM 316 CB ILE A 69 -1.219 -3.382 -7.691 1.00 0.00 C ATOM 317 CG1 ILE A 69 -1.171 -1.933 -7.201 1.00 0.00 C ATOM 318 CG2 ILE A 69 -0.019 -4.154 -7.129 1.00 0.00 C ATOM 319 CD1 ILE A 69 -2.053 -1.790 -5.957 1.00 0.00 C ATOM 0 H ILE A 69 -0.439 -5.368 -9.608 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.991 -2.801 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.138 -3.854 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.145 -1.650 -6.968 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.517 -1.260 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.047 -4.127 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.062 -5.189 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.905 -3.695 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.021 -0.759 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.080 -2.057 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.686 -2.452 -5.173 1.00 0.00 H new ATOM 331 N CYS A 70 0.040 -1.772 -10.529 1.00 0.00 N ATOM 332 CA CYS A 70 1.276 -1.163 -11.103 1.00 0.00 C ATOM 333 C CYS A 70 1.849 -0.117 -10.143 1.00 0.00 C ATOM 334 O CYS A 70 1.266 0.932 -9.937 1.00 0.00 O ATOM 335 CB CYS A 70 0.828 -0.500 -12.407 1.00 0.00 C ATOM 336 SG CYS A 70 0.571 -1.764 -13.678 1.00 0.00 S ATOM 0 H CYS A 70 -0.829 -1.295 -10.772 1.00 0.00 H new ATOM 0 HA CYS A 70 2.057 -1.905 -11.270 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.094 0.058 -12.244 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.580 0.216 -12.739 1.00 0.00 H new ATOM 341 N PHE A 71 2.990 -0.392 -9.563 1.00 0.00 N ATOM 342 CA PHE A 71 3.612 0.585 -8.623 1.00 0.00 C ATOM 343 C PHE A 71 4.531 1.532 -9.397 1.00 0.00 C ATOM 344 O PHE A 71 5.658 1.198 -9.708 1.00 0.00 O ATOM 345 CB PHE A 71 4.419 -0.266 -7.642 1.00 0.00 C ATOM 346 CG PHE A 71 3.495 -0.845 -6.599 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.782 0.005 -5.744 1.00 0.00 C ATOM 348 CD2 PHE A 71 3.350 -2.233 -6.484 1.00 0.00 C ATOM 349 CE1 PHE A 71 1.925 -0.532 -4.777 1.00 0.00 C ATOM 350 CE2 PHE A 71 2.493 -2.770 -5.516 1.00 0.00 C ATOM 351 CZ PHE A 71 1.780 -1.919 -4.663 1.00 0.00 C ATOM 0 H PHE A 71 3.518 -1.254 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 71 2.873 1.200 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.931 -1.067 -8.175 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.188 0.341 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.894 1.076 -5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.900 -2.890 -7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.375 0.124 -4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.382 -3.841 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.118 -2.333 -3.917 1.00 0.00 H new ATOM 361 N CYS A 72 4.051 2.706 -9.718 1.00 0.00 N ATOM 362 CA CYS A 72 4.886 3.678 -10.485 1.00 0.00 C ATOM 363 C CYS A 72 5.297 4.854 -9.597 1.00 0.00 C ATOM 364 O CYS A 72 5.125 4.826 -8.393 1.00 0.00 O ATOM 365 CB CYS A 72 3.986 4.160 -11.622 1.00 0.00 C ATOM 366 SG CYS A 72 3.575 2.767 -12.702 1.00 0.00 S ATOM 0 H CYS A 72 3.115 3.034 -9.481 1.00 0.00 H new ATOM 0 HA CYS A 72 5.807 3.224 -10.851 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.075 4.600 -11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.490 4.940 -12.193 1.00 0.00 H new ATOM 371 N LEU A 73 5.841 5.884 -10.190 1.00 0.00 N ATOM 372 CA LEU A 73 6.273 7.075 -9.399 1.00 0.00 C ATOM 373 C LEU A 73 5.068 7.985 -9.113 1.00 0.00 C ATOM 374 O LEU A 73 4.044 7.864 -9.759 1.00 0.00 O ATOM 375 CB LEU A 73 7.290 7.790 -10.290 1.00 0.00 C ATOM 376 CG LEU A 73 8.531 6.908 -10.461 1.00 0.00 C ATOM 377 CD1 LEU A 73 9.090 7.077 -11.875 1.00 0.00 C ATOM 378 CD2 LEU A 73 9.596 7.324 -9.441 1.00 0.00 C ATOM 0 H LEU A 73 6.006 5.952 -11.194 1.00 0.00 H new ATOM 0 HA LEU A 73 6.699 6.802 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.848 8.006 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.569 8.746 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 73 8.258 5.865 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.973 6.449 -11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.334 6.783 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.362 8.120 -12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.480 6.697 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.866 8.367 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.201 7.204 -8.432 1.00 0.00 H new ATOM 390 N PRO A 74 5.218 8.875 -8.156 1.00 0.00 N ATOM 391 CA PRO A 74 4.106 9.799 -7.808 1.00 0.00 C ATOM 392 C PRO A 74 3.830 10.777 -8.957 1.00 0.00 C ATOM 393 O PRO A 74 2.779 11.388 -9.014 1.00 0.00 O ATOM 394 CB PRO A 74 4.618 10.530 -6.567 1.00 0.00 C ATOM 395 CG PRO A 74 6.105 10.437 -6.657 1.00 0.00 C ATOM 396 CD PRO A 74 6.407 9.120 -7.320 1.00 0.00 C ATOM 0 HA PRO A 74 3.163 9.282 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.287 11.568 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.247 10.066 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.512 11.266 -7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.558 10.487 -5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.316 9.172 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.553 8.326 -6.588 1.00 0.00 H new ATOM 404 N ALA A 75 4.757 10.925 -9.873 1.00 0.00 N ATOM 405 CA ALA A 75 4.538 11.858 -11.019 1.00 0.00 C ATOM 406 C ALA A 75 3.878 11.128 -12.197 1.00 0.00 C ATOM 407 O ALA A 75 3.843 11.637 -13.302 1.00 0.00 O ATOM 408 CB ALA A 75 5.936 12.342 -11.405 1.00 0.00 C ATOM 0 H ALA A 75 5.654 10.440 -9.875 1.00 0.00 H new ATOM 0 HA ALA A 75 3.875 12.681 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.863 13.035 -12.243 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.393 12.848 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.550 11.488 -11.692 1.00 0.00 H new ATOM 414 N PHE A 76 3.353 9.943 -11.977 1.00 0.00 N ATOM 415 CA PHE A 76 2.696 9.192 -13.090 1.00 0.00 C ATOM 416 C PHE A 76 1.282 8.770 -12.683 1.00 0.00 C ATOM 417 O PHE A 76 0.996 8.575 -11.517 1.00 0.00 O ATOM 418 CB PHE A 76 3.579 7.965 -13.317 1.00 0.00 C ATOM 419 CG PHE A 76 4.777 8.351 -14.148 1.00 0.00 C ATOM 420 CD1 PHE A 76 5.868 8.990 -13.547 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.797 8.073 -15.518 1.00 0.00 C ATOM 422 CE1 PHE A 76 6.980 9.349 -14.317 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.909 8.432 -16.290 1.00 0.00 C ATOM 424 CZ PHE A 76 7.000 9.070 -15.689 1.00 0.00 C ATOM 0 H PHE A 76 3.353 9.467 -11.075 1.00 0.00 H new ATOM 0 HA PHE A 76 2.598 9.795 -13.993 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.904 7.556 -12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.011 7.183 -13.821 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.851 9.206 -12.489 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.954 7.581 -15.981 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.822 9.841 -13.853 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.925 8.217 -17.348 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.858 9.347 -16.284 1.00 0.00 H new ATOM 434 N GLU A 77 0.398 8.631 -13.639 1.00 0.00 N ATOM 435 CA GLU A 77 -1.002 8.222 -13.319 1.00 0.00 C ATOM 436 C GLU A 77 -1.603 7.432 -14.485 1.00 0.00 C ATOM 437 O GLU A 77 -0.974 7.248 -15.511 1.00 0.00 O ATOM 438 CB GLU A 77 -1.760 9.535 -13.114 1.00 0.00 C ATOM 439 CG GLU A 77 -2.780 9.364 -11.987 1.00 0.00 C ATOM 440 CD GLU A 77 -2.162 9.820 -10.664 1.00 0.00 C ATOM 441 OE1 GLU A 77 -1.283 9.129 -10.174 1.00 0.00 O ATOM 442 OE2 GLU A 77 -2.577 10.853 -10.164 1.00 0.00 O ATOM 0 H GLU A 77 0.587 8.784 -14.630 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.054 7.579 -12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.062 10.336 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.265 9.823 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.676 9.947 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.088 8.321 -11.916 1.00 0.00 H new ATOM 449 N GLY A 78 -2.816 6.964 -14.331 1.00 0.00 N ATOM 450 CA GLY A 78 -3.469 6.185 -15.423 1.00 0.00 C ATOM 451 C GLY A 78 -3.673 4.739 -14.967 1.00 0.00 C ATOM 452 O GLY A 78 -3.047 4.281 -14.030 1.00 0.00 O ATOM 0 H GLY A 78 -3.383 7.089 -13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.428 6.635 -15.682 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.852 6.211 -16.321 1.00 0.00 H new ATOM 456 N ARG A 79 -4.547 4.018 -15.625 1.00 0.00 N ATOM 457 CA ARG A 79 -4.798 2.595 -15.234 1.00 0.00 C ATOM 458 C ARG A 79 -3.513 1.775 -15.377 1.00 0.00 C ATOM 459 O ARG A 79 -3.220 0.918 -14.564 1.00 0.00 O ATOM 460 CB ARG A 79 -5.866 2.090 -16.208 1.00 0.00 C ATOM 461 CG ARG A 79 -6.816 1.141 -15.476 1.00 0.00 C ATOM 462 CD ARG A 79 -7.633 0.347 -16.498 1.00 0.00 C ATOM 463 NE ARG A 79 -8.999 0.239 -15.900 1.00 0.00 N ATOM 464 CZ ARG A 79 -10.069 0.112 -16.658 1.00 0.00 C ATOM 465 NH1 ARG A 79 -9.974 -0.141 -17.942 1.00 0.00 N ATOM 466 NH2 ARG A 79 -11.251 0.228 -16.116 1.00 0.00 N ATOM 0 H ARG A 79 -5.098 4.353 -16.416 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.122 2.506 -14.197 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.422 2.931 -16.622 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.395 1.576 -17.046 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.249 0.461 -14.840 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.481 1.707 -14.824 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.663 0.856 -17.461 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.199 -0.638 -16.671 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.105 0.264 -14.886 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.056 -0.244 -18.375 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.818 -0.235 -18.507 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.338 0.415 -15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.088 0.132 -16.692 1.00 0.00 H new ATOM 480 N ASN A 80 -2.745 2.037 -16.404 1.00 0.00 N ATOM 481 CA ASN A 80 -1.474 1.282 -16.609 1.00 0.00 C ATOM 482 C ASN A 80 -0.285 2.246 -16.609 1.00 0.00 C ATOM 483 O ASN A 80 0.669 2.070 -17.343 1.00 0.00 O ATOM 484 CB ASN A 80 -1.625 0.615 -17.977 1.00 0.00 C ATOM 485 CG ASN A 80 -2.479 -0.647 -17.839 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.445 -0.822 -18.555 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.163 -1.539 -16.941 1.00 0.00 N ATOM 0 H ASN A 80 -2.945 2.744 -17.111 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.293 0.553 -15.820 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.089 1.306 -18.681 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.644 0.361 -18.380 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.727 -2.383 -16.840 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.352 -1.392 -16.340 1.00 0.00 H new ATOM 494 N CYS A 81 -0.341 3.269 -15.789 1.00 0.00 N ATOM 495 CA CYS A 81 0.778 4.267 -15.722 1.00 0.00 C ATOM 496 C CYS A 81 1.096 4.821 -17.117 1.00 0.00 C ATOM 497 O CYS A 81 2.235 4.830 -17.545 1.00 0.00 O ATOM 498 CB CYS A 81 1.979 3.500 -15.160 1.00 0.00 C ATOM 499 SG CYS A 81 1.729 3.203 -13.393 1.00 0.00 S ATOM 0 H CYS A 81 -1.120 3.458 -15.158 1.00 0.00 H new ATOM 0 HA CYS A 81 0.517 5.122 -15.098 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.098 2.553 -15.686 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.895 4.070 -15.318 1.00 0.00 H new ATOM 504 N GLU A 82 0.095 5.282 -17.822 1.00 0.00 N ATOM 505 CA GLU A 82 0.328 5.838 -19.189 1.00 0.00 C ATOM 506 C GLU A 82 -0.062 7.321 -19.234 1.00 0.00 C ATOM 507 O GLU A 82 -0.418 7.844 -20.273 1.00 0.00 O ATOM 508 CB GLU A 82 -0.570 5.012 -20.120 1.00 0.00 C ATOM 509 CG GLU A 82 -2.034 5.130 -19.681 1.00 0.00 C ATOM 510 CD GLU A 82 -2.942 4.566 -20.774 1.00 0.00 C ATOM 511 OE1 GLU A 82 -3.070 3.355 -20.845 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.495 5.355 -21.523 1.00 0.00 O ATOM 0 H GLU A 82 -0.876 5.297 -17.509 1.00 0.00 H new ATOM 0 HA GLU A 82 1.376 5.779 -19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.461 5.361 -21.147 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.260 3.967 -20.104 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.190 4.588 -18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.284 6.173 -19.488 1.00 0.00 H new ATOM 519 N THR A 83 0.005 7.997 -18.115 1.00 0.00 N ATOM 520 CA THR A 83 -0.359 9.445 -18.085 1.00 0.00 C ATOM 521 C THR A 83 0.620 10.218 -17.196 1.00 0.00 C ATOM 522 O THR A 83 0.457 10.285 -15.992 1.00 0.00 O ATOM 523 CB THR A 83 -1.769 9.487 -17.494 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.631 8.669 -18.272 1.00 0.00 O ATOM 525 CG2 THR A 83 -2.284 10.928 -17.500 1.00 0.00 C ATOM 0 H THR A 83 0.297 7.607 -17.219 1.00 0.00 H new ATOM 0 HA THR A 83 -0.318 9.902 -19.074 1.00 0.00 H new ATOM 0 HB THR A 83 -1.745 9.117 -16.469 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.535 8.694 -17.894 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.289 10.957 -17.079 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.622 11.554 -16.902 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.309 11.301 -18.524 1.00 0.00 H new ATOM 533 N HIS A 84 1.633 10.802 -17.783 1.00 0.00 N ATOM 534 CA HIS A 84 2.630 11.575 -16.978 1.00 0.00 C ATOM 535 C HIS A 84 1.942 12.747 -16.272 1.00 0.00 C ATOM 536 O HIS A 84 1.447 13.660 -16.907 1.00 0.00 O ATOM 537 CB HIS A 84 3.657 12.090 -17.990 1.00 0.00 C ATOM 538 CG HIS A 84 5.006 12.183 -17.331 1.00 0.00 C ATOM 539 ND1 HIS A 84 6.104 11.473 -17.792 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.450 12.899 -16.248 1.00 0.00 C ATOM 541 CE1 HIS A 84 7.144 11.775 -16.994 1.00 0.00 C ATOM 542 NE2 HIS A 84 6.801 12.640 -16.035 1.00 0.00 N ATOM 0 H HIS A 84 1.814 10.778 -18.786 1.00 0.00 H new ATOM 0 HA HIS A 84 3.095 10.963 -16.206 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.705 11.420 -18.849 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.355 13.068 -18.365 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.843 13.563 -15.651 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.137 11.367 -17.114 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.399 13.027 -15.305 1.00 0.00 H new ATOM 550 N LYS A 85 1.908 12.725 -14.964 1.00 0.00 N ATOM 551 CA LYS A 85 1.251 13.836 -14.207 1.00 0.00 C ATOM 552 C LYS A 85 1.963 15.161 -14.492 1.00 0.00 C ATOM 553 O LYS A 85 1.432 16.029 -15.159 1.00 0.00 O ATOM 554 CB LYS A 85 1.393 13.460 -12.731 1.00 0.00 C ATOM 555 CG LYS A 85 0.478 12.275 -12.414 1.00 0.00 C ATOM 556 CD LYS A 85 -0.866 12.791 -11.900 1.00 0.00 C ATOM 557 CE LYS A 85 -0.689 13.361 -10.490 1.00 0.00 C ATOM 558 NZ LYS A 85 -1.589 14.546 -10.439 1.00 0.00 N ATOM 0 H LYS A 85 2.307 11.985 -14.386 1.00 0.00 H new ATOM 0 HA LYS A 85 0.207 13.965 -14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.429 13.203 -12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.134 14.311 -12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.329 11.668 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.943 11.633 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.252 13.560 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.597 11.983 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.959 12.627 -9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.347 13.644 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.523 14.992 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.304 15.230 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.569 14.245 -10.611 1.00 0.00 H new