USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 210 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 150 GLN : amide:sc= 0 K(o=-0.14,f=-0.88) USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.136 USER MOD Set 2.1: A 141 CYS SG : rot 38:sc= 0.471 USER MOD Set 2.2: A 144 CYS SG : rot -46:sc= 0.48 USER MOD Set 2.3: A 157 HIS : no HD1:sc= -0.752 K(o=-0.85,f=-5.7!) USER MOD Set 2.4: A 161 HIS : no HD1:sc= -1.05 K(o=-0.85,f=-3.1) USER MOD Set 3.1: A 137 LYS NZ :NH3+ -128:sc= 0.929 (180deg=-0.0206) USER MOD Set 3.2: A 147 SER OG : rot 180:sc= -0.135 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 140 GLN : amide:sc= 0.885 K(o=0.89,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc=-0.00218 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.581 8.235 8.686 1.00 0.00 N ATOM 67 CA GLU A 136 -9.513 6.781 8.613 1.00 0.00 C ATOM 68 C GLU A 136 -9.821 6.292 7.201 1.00 0.00 C ATOM 69 O GLU A 136 -10.354 7.035 6.376 1.00 0.00 O ATOM 70 CB GLU A 136 -10.491 6.152 9.607 1.00 0.00 C ATOM 71 CG GLU A 136 -11.937 6.561 9.380 1.00 0.00 C ATOM 72 CD GLU A 136 -12.894 5.387 9.456 1.00 0.00 C ATOM 73 OE1 GLU A 136 -13.094 4.856 10.569 1.00 0.00 O ATOM 74 OE2 GLU A 136 -13.444 4.999 8.404 1.00 0.00 O ATOM 0 HA GLU A 136 -8.498 6.477 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -10.415 5.067 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.198 6.432 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -12.221 7.305 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.027 7.036 8.403 1.00 0.00 H new ATOM 81 N LYS A 137 -9.481 5.037 6.928 1.00 0.00 N ATOM 82 CA LYS A 137 -9.721 4.446 5.616 1.00 0.00 C ATOM 83 C LYS A 137 -10.703 3.284 5.714 1.00 0.00 C ATOM 84 O LYS A 137 -10.860 2.659 6.764 1.00 0.00 O ATOM 85 CB LYS A 137 -8.404 3.965 5.003 1.00 0.00 C ATOM 86 CG LYS A 137 -7.487 5.094 4.568 1.00 0.00 C ATOM 87 CD LYS A 137 -6.432 4.610 3.587 1.00 0.00 C ATOM 88 CE LYS A 137 -5.461 5.721 3.219 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.097 5.194 2.934 1.00 0.00 N ATOM 0 H LYS A 137 -9.038 4.409 7.598 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.156 5.212 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.881 3.343 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.623 3.334 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.077 5.886 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.001 5.526 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.883 3.776 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.917 4.236 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.834 6.255 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.409 6.442 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.398 5.715 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.057 4.184 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.882 5.315 1.924 1.00 0.00 H new ATOM 103 N PRO A 138 -11.381 2.984 4.596 1.00 0.00 N ATOM 104 CA PRO A 138 -12.358 1.894 4.531 1.00 0.00 C ATOM 105 C PRO A 138 -11.701 0.521 4.617 1.00 0.00 C ATOM 106 O PRO A 138 -12.373 -0.487 4.837 1.00 0.00 O ATOM 107 CB PRO A 138 -13.014 2.087 3.161 1.00 0.00 C ATOM 108 CG PRO A 138 -11.991 2.803 2.349 1.00 0.00 C ATOM 109 CD PRO A 138 -11.244 3.687 3.309 1.00 0.00 C ATOM 0 HA PRO A 138 -13.060 1.926 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.279 1.130 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.933 2.667 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.317 2.099 1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.461 3.392 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.199 3.799 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.673 4.688 3.350 1.00 0.00 H new ATOM 117 N TYR A 139 -10.384 0.488 4.444 1.00 0.00 N ATOM 118 CA TYR A 139 -9.637 -0.762 4.501 1.00 0.00 C ATOM 119 C TYR A 139 -8.433 -0.636 5.430 1.00 0.00 C ATOM 120 O TYR A 139 -7.813 0.424 5.519 1.00 0.00 O ATOM 121 CB TYR A 139 -9.173 -1.168 3.101 1.00 0.00 C ATOM 122 CG TYR A 139 -10.281 -1.166 2.072 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.246 -2.166 2.059 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.364 -0.163 1.114 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.259 -2.169 1.120 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.375 -0.157 0.173 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.320 -1.162 0.180 1.00 0.00 C ATOM 128 OH TYR A 139 -13.329 -1.160 -0.756 1.00 0.00 O ATOM 0 H TYR A 139 -9.812 1.313 4.263 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.299 -1.533 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.386 -0.487 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.734 -2.164 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.203 -2.954 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.626 0.625 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.999 -2.956 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.425 0.630 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.228 -0.382 -1.344 1.00 0.00 H new ATOM 138 N GLN A 140 -8.109 -1.725 6.120 1.00 0.00 N ATOM 139 CA GLN A 140 -6.980 -1.737 7.043 1.00 0.00 C ATOM 140 C GLN A 140 -6.371 -3.131 7.141 1.00 0.00 C ATOM 141 O GLN A 140 -7.073 -4.110 7.397 1.00 0.00 O ATOM 142 CB GLN A 140 -7.422 -1.262 8.428 1.00 0.00 C ATOM 143 CG GLN A 140 -6.291 -1.208 9.442 1.00 0.00 C ATOM 144 CD GLN A 140 -6.644 -1.892 10.748 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.622 -1.533 11.406 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.849 -2.884 11.131 1.00 0.00 N ATOM 0 H GLN A 140 -8.612 -2.610 6.057 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.221 -1.056 6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.866 -0.271 8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.201 -1.928 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.405 -1.680 9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.035 -0.167 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.050 -3.148 10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.038 -3.382 12.001 1.00 0.00 H new ATOM 155 N CYS A 141 -5.061 -3.215 6.935 1.00 0.00 N ATOM 156 CA CYS A 141 -4.357 -4.490 6.999 1.00 0.00 C ATOM 157 C CYS A 141 -4.351 -5.037 8.423 1.00 0.00 C ATOM 158 O CYS A 141 -4.134 -4.298 9.383 1.00 0.00 O ATOM 159 CB CYS A 141 -2.921 -4.329 6.496 1.00 0.00 C ATOM 160 SG CYS A 141 -2.050 -5.904 6.215 1.00 0.00 S ATOM 0 H CYS A 141 -4.465 -2.415 6.722 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.882 -5.199 6.359 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.935 -3.763 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.358 -3.739 7.219 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.880 -6.778 5.728 1.00 0.00 H new ATOM 165 N LYS A 142 -4.589 -6.338 8.552 1.00 0.00 N ATOM 166 CA LYS A 142 -4.610 -6.987 9.858 1.00 0.00 C ATOM 167 C LYS A 142 -3.331 -7.785 10.089 1.00 0.00 C ATOM 168 O LYS A 142 -3.326 -8.764 10.835 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.908 9.973 1.00 0.00 C ATOM 170 CG LYS A 142 -5.802 -9.073 8.998 1.00 0.00 C ATOM 171 CD LYS A 142 -6.680 -8.805 7.788 1.00 0.00 C ATOM 172 CE LYS A 142 -6.564 -9.918 6.758 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.427 -11.083 7.101 1.00 0.00 N ATOM 0 H LYS A 142 -4.770 -6.964 7.767 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.676 -6.211 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.881 -8.297 10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.731 -7.324 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.778 -9.255 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.142 -9.978 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.718 -8.708 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.395 -7.856 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.844 -9.535 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.526 -10.243 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.320 -11.820 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.144 -11.464 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.421 -10.779 7.141 1.00 0.00 H new ATOM 187 N GLU A 143 -2.248 -7.358 9.447 1.00 0.00 N ATOM 188 CA GLU A 143 -0.963 -8.034 9.584 1.00 0.00 C ATOM 189 C GLU A 143 0.101 -7.077 10.116 1.00 0.00 C ATOM 190 O GLU A 143 0.991 -7.476 10.867 1.00 0.00 O ATOM 191 CB GLU A 143 -0.519 -8.612 8.239 1.00 0.00 C ATOM 192 CG GLU A 143 -1.610 -9.386 7.519 1.00 0.00 C ATOM 193 CD GLU A 143 -2.215 -10.478 8.379 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.561 -10.891 9.360 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.343 -10.919 8.073 1.00 0.00 O ATOM 0 H GLU A 143 -2.235 -6.548 8.827 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.084 -8.849 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.179 -7.799 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.335 -9.269 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.395 -8.696 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.198 -9.829 6.612 1.00 0.00 H new ATOM 202 N CYS A 144 0.002 -5.813 9.719 1.00 0.00 N ATOM 203 CA CYS A 144 0.954 -4.798 10.153 1.00 0.00 C ATOM 204 C CYS A 144 0.231 -3.572 10.703 1.00 0.00 C ATOM 205 O CYS A 144 0.674 -2.960 11.673 1.00 0.00 O ATOM 206 CB CYS A 144 1.861 -4.389 8.990 1.00 0.00 C ATOM 207 SG CYS A 144 0.962 -3.831 7.507 1.00 0.00 S ATOM 0 H CYS A 144 -0.729 -5.467 9.097 1.00 0.00 H new ATOM 0 HA CYS A 144 1.564 -5.225 10.949 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.523 -3.589 9.323 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.494 -5.235 8.722 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.003 -4.662 7.246 1.00 0.00 H new ATOM 212 N GLY A 145 -0.888 -3.221 10.076 1.00 0.00 N ATOM 213 CA GLY A 145 -1.655 -2.070 10.516 1.00 0.00 C ATOM 214 C GLY A 145 -1.795 -1.018 9.434 1.00 0.00 C ATOM 215 O GLY A 145 -2.120 0.136 9.717 1.00 0.00 O ATOM 0 H GLY A 145 -1.277 -3.713 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.646 -2.397 10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.173 -1.628 11.388 1.00 0.00 H new ATOM 219 N LYS A 146 -1.546 -1.413 8.190 1.00 0.00 N ATOM 220 CA LYS A 146 -1.645 -0.496 7.061 1.00 0.00 C ATOM 221 C LYS A 146 -3.102 -0.156 6.762 1.00 0.00 C ATOM 222 O LYS A 146 -4.014 -0.666 7.413 1.00 0.00 O ATOM 223 CB LYS A 146 -0.988 -1.108 5.822 1.00 0.00 C ATOM 224 CG LYS A 146 0.291 -0.405 5.401 1.00 0.00 C ATOM 225 CD LYS A 146 0.337 -0.183 3.899 1.00 0.00 C ATOM 226 CE LYS A 146 0.970 1.156 3.552 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.030 2.259 3.556 1.00 0.00 N ATOM 0 H LYS A 146 -1.274 -2.363 7.938 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.123 0.424 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.768 -2.157 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.697 -1.081 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.366 0.554 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.152 -0.999 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.903 -0.987 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.674 -0.225 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.761 1.380 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.438 1.093 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.440 3.155 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.772 2.058 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.458 2.336 4.501 1.00 0.00 H new ATOM 241 N SER A 147 -3.312 0.706 5.773 1.00 0.00 N ATOM 242 CA SER A 147 -4.658 1.115 5.389 1.00 0.00 C ATOM 243 C SER A 147 -4.687 1.602 3.943 1.00 0.00 C ATOM 244 O SER A 147 -3.823 2.370 3.518 1.00 0.00 O ATOM 245 CB SER A 147 -5.164 2.219 6.321 1.00 0.00 C ATOM 246 OG SER A 147 -4.531 3.455 6.038 1.00 0.00 O ATOM 0 H SER A 147 -2.568 1.135 5.223 1.00 0.00 H new ATOM 0 HA SER A 147 -5.313 0.248 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.243 2.326 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.975 1.939 7.357 1.00 0.00 H new ATOM 0 HG SER A 147 -4.873 4.144 6.645 1.00 0.00 H new ATOM 252 N PHE A 148 -5.686 1.150 3.193 1.00 0.00 N ATOM 253 CA PHE A 148 -5.827 1.538 1.794 1.00 0.00 C ATOM 254 C PHE A 148 -7.230 2.072 1.518 1.00 0.00 C ATOM 255 O PHE A 148 -8.143 1.895 2.323 1.00 0.00 O ATOM 256 CB PHE A 148 -5.534 0.346 0.880 1.00 0.00 C ATOM 257 CG PHE A 148 -4.131 -0.176 1.007 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.782 -1.013 2.055 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.162 0.171 0.080 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.492 -1.495 2.174 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.871 -0.308 0.194 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.535 -1.141 1.243 1.00 0.00 C ATOM 0 H PHE A 148 -6.410 0.515 3.530 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.108 2.330 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.234 -0.458 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.712 0.639 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.526 -1.292 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.419 0.824 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.233 -2.148 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.125 -0.031 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.526 -1.515 1.335 1.00 0.00 H new ATOM 272 N SER A 149 -7.391 2.728 0.373 1.00 0.00 N ATOM 273 CA SER A 149 -8.680 3.292 -0.010 1.00 0.00 C ATOM 274 C SER A 149 -9.278 2.532 -1.190 1.00 0.00 C ATOM 275 O SER A 149 -10.169 3.032 -1.876 1.00 0.00 O ATOM 276 CB SER A 149 -8.527 4.772 -0.367 1.00 0.00 C ATOM 277 OG SER A 149 -8.240 4.937 -1.744 1.00 0.00 O ATOM 0 H SER A 149 -6.645 2.882 -0.305 1.00 0.00 H new ATOM 0 HA SER A 149 -9.356 3.198 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.444 5.306 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.728 5.213 0.230 1.00 0.00 H new ATOM 0 HG SER A 149 -8.149 5.891 -1.947 1.00 0.00 H new ATOM 283 N GLN A 150 -8.781 1.321 -1.418 1.00 0.00 N ATOM 284 CA GLN A 150 -9.265 0.492 -2.515 1.00 0.00 C ATOM 285 C GLN A 150 -9.232 -0.985 -2.137 1.00 0.00 C ATOM 286 O GLN A 150 -8.198 -1.506 -1.717 1.00 0.00 O ATOM 287 CB GLN A 150 -8.423 0.727 -3.771 1.00 0.00 C ATOM 288 CG GLN A 150 -8.151 2.196 -4.054 1.00 0.00 C ATOM 289 CD GLN A 150 -7.715 2.443 -5.485 1.00 0.00 C ATOM 290 OE1 GLN A 150 -6.521 2.524 -5.777 1.00 0.00 O ATOM 291 NE2 GLN A 150 -8.682 2.565 -6.386 1.00 0.00 N ATOM 0 H GLN A 150 -8.044 0.892 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.298 0.773 -2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.473 0.204 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.934 0.289 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.051 2.775 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.378 2.556 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.658 2.491 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.449 2.733 -7.365 1.00 0.00 H new ATOM 300 N ARG A 151 -10.370 -1.655 -2.287 1.00 0.00 N ATOM 301 CA ARG A 151 -10.472 -3.072 -1.959 1.00 0.00 C ATOM 302 C ARG A 151 -9.395 -3.876 -2.681 1.00 0.00 C ATOM 303 O ARG A 151 -8.891 -4.869 -2.158 1.00 0.00 O ATOM 304 CB ARG A 151 -11.857 -3.605 -2.331 1.00 0.00 C ATOM 305 CG ARG A 151 -11.997 -5.108 -2.158 1.00 0.00 C ATOM 306 CD ARG A 151 -13.201 -5.460 -1.298 1.00 0.00 C ATOM 307 NE ARG A 151 -13.426 -6.902 -1.234 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.337 -7.470 -0.452 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.104 -6.722 0.329 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.482 -8.789 -0.449 1.00 0.00 N ATOM 0 H ARG A 151 -11.234 -1.239 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.324 -3.182 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.606 -3.106 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.070 -3.346 -3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.096 -5.580 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.092 -5.509 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.053 -5.071 -0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.089 -4.972 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 151 -12.852 -7.506 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.995 -5.708 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -15.803 -7.161 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.893 -9.368 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -15.182 -9.224 0.152 1.00 0.00 H new ATOM 324 N GLY A 152 -9.047 -3.439 -3.888 1.00 0.00 N ATOM 325 CA GLY A 152 -8.032 -4.130 -4.663 1.00 0.00 C ATOM 326 C GLY A 152 -6.627 -3.814 -4.190 1.00 0.00 C ATOM 327 O GLY A 152 -5.773 -4.698 -4.126 1.00 0.00 O ATOM 0 H GLY A 152 -9.449 -2.619 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.200 -5.205 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.130 -3.853 -5.713 1.00 0.00 H new ATOM 331 N SER A 153 -6.386 -2.550 -3.858 1.00 0.00 N ATOM 332 CA SER A 153 -5.072 -2.118 -3.395 1.00 0.00 C ATOM 333 C SER A 153 -4.662 -2.882 -2.139 1.00 0.00 C ATOM 334 O SER A 153 -3.551 -3.405 -2.051 1.00 0.00 O ATOM 335 CB SER A 153 -5.076 -0.615 -3.113 1.00 0.00 C ATOM 336 OG SER A 153 -5.129 0.130 -4.317 1.00 0.00 O ATOM 0 H SER A 153 -7.083 -1.807 -3.901 1.00 0.00 H new ATOM 0 HA SER A 153 -4.348 -2.330 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.932 -0.362 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.181 -0.344 -2.554 1.00 0.00 H new ATOM 0 HG SER A 153 -5.132 1.088 -4.109 1.00 0.00 H new ATOM 342 N LEU A 154 -5.567 -2.941 -1.168 1.00 0.00 N ATOM 343 CA LEU A 154 -5.301 -3.640 0.084 1.00 0.00 C ATOM 344 C LEU A 154 -4.877 -5.082 -0.176 1.00 0.00 C ATOM 345 O LEU A 154 -3.874 -5.551 0.362 1.00 0.00 O ATOM 346 CB LEU A 154 -6.543 -3.616 0.978 1.00 0.00 C ATOM 347 CG LEU A 154 -6.574 -4.643 2.110 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.435 -4.396 3.087 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.915 -4.602 2.830 1.00 0.00 C ATOM 0 H LEU A 154 -6.491 -2.513 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.484 -3.126 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.633 -2.621 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.421 -3.770 0.351 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.445 -5.635 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.474 -5.137 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.482 -4.476 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.531 -3.397 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.920 -5.339 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.073 -3.608 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.714 -4.829 2.124 1.00 0.00 H new ATOM 361 N ALA A 155 -5.645 -5.779 -1.007 1.00 0.00 N ATOM 362 CA ALA A 155 -5.346 -7.165 -1.343 1.00 0.00 C ATOM 363 C ALA A 155 -3.897 -7.321 -1.793 1.00 0.00 C ATOM 364 O ALA A 155 -3.179 -8.200 -1.317 1.00 0.00 O ATOM 365 CB ALA A 155 -6.293 -7.663 -2.424 1.00 0.00 C ATOM 0 H ALA A 155 -6.479 -5.406 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.487 -7.768 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.058 -8.700 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.320 -7.598 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.181 -7.049 -3.317 1.00 0.00 H new ATOM 371 N VAL A 156 -3.474 -6.462 -2.716 1.00 0.00 N ATOM 372 CA VAL A 156 -2.111 -6.504 -3.231 1.00 0.00 C ATOM 373 C VAL A 156 -1.093 -6.412 -2.100 1.00 0.00 C ATOM 374 O VAL A 156 0.016 -6.937 -2.204 1.00 0.00 O ATOM 375 CB VAL A 156 -1.854 -5.362 -4.232 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.427 -5.423 -4.757 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.854 -5.422 -5.376 1.00 0.00 C ATOM 0 H VAL A 156 -4.056 -5.729 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 156 -1.996 -7.459 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.985 -4.412 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.264 -4.609 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.271 -5.328 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.265 -6.377 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.658 -4.608 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.757 -6.376 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.865 -5.325 -4.981 1.00 0.00 H new ATOM 387 N HIS A 157 -1.477 -5.742 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.598 -5.581 0.135 1.00 0.00 C ATOM 389 C HIS A 157 -0.798 -6.718 1.133 1.00 0.00 C ATOM 390 O HIS A 157 0.039 -6.943 2.007 1.00 0.00 O ATOM 391 CB HIS A 157 -0.855 -4.237 0.816 1.00 0.00 C ATOM 392 CG HIS A 157 -0.158 -4.091 2.134 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.083 -3.506 2.268 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.537 -4.456 3.381 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.438 -3.519 3.541 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.472 -4.090 4.237 1.00 0.00 N ATOM 0 H HIS A 157 -2.391 -5.302 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 157 0.433 -5.608 -0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.532 -3.435 0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.928 -4.114 0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.461 -4.944 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.361 -3.129 3.944 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.475 -4.236 5.247 1.00 0.00 H new ATOM 404 N GLU A 158 -1.912 -7.430 0.996 1.00 0.00 N ATOM 405 CA GLU A 158 -2.222 -8.541 1.888 1.00 0.00 C ATOM 406 C GLU A 158 -1.700 -9.857 1.318 1.00 0.00 C ATOM 407 O GLU A 158 -1.643 -10.869 2.016 1.00 0.00 O ATOM 408 CB GLU A 158 -3.732 -8.635 2.117 1.00 0.00 C ATOM 409 CG GLU A 158 -4.335 -7.379 2.723 1.00 0.00 C ATOM 410 CD GLU A 158 -5.267 -7.680 3.880 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.445 -8.007 3.625 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.818 -7.588 5.042 1.00 0.00 O ATOM 0 H GLU A 158 -2.614 -7.258 0.277 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.728 -8.356 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.223 -8.841 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.940 -9.480 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.534 -6.725 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.882 -6.835 1.953 1.00 0.00 H new ATOM 419 N ARG A 159 -1.320 -9.835 0.044 1.00 0.00 N ATOM 420 CA ARG A 159 -0.805 -11.025 -0.620 1.00 0.00 C ATOM 421 C ARG A 159 0.720 -11.006 -0.665 1.00 0.00 C ATOM 422 O ARG A 159 1.370 -12.040 -0.502 1.00 0.00 O ATOM 423 CB ARG A 159 -1.366 -11.126 -2.040 1.00 0.00 C ATOM 424 CG ARG A 159 -1.001 -9.944 -2.924 1.00 0.00 C ATOM 425 CD ARG A 159 0.175 -10.269 -3.831 1.00 0.00 C ATOM 426 NE ARG A 159 -0.117 -11.384 -4.728 1.00 0.00 N ATOM 427 CZ ARG A 159 0.722 -11.814 -5.664 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.900 -11.226 -5.824 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.385 -12.835 -6.441 1.00 0.00 N ATOM 0 H ARG A 159 -1.360 -9.005 -0.548 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.124 -11.896 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.999 -12.042 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.452 -11.208 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.862 -9.662 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.754 -9.085 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.433 -9.388 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.046 -10.512 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.015 -11.859 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.164 -10.442 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.542 -11.558 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.519 -13.291 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.030 -13.164 -7.159 1.00 0.00 H new ATOM 443 N LEU A 160 1.286 -9.825 -0.886 1.00 0.00 N ATOM 444 CA LEU A 160 2.735 -9.670 -0.952 1.00 0.00 C ATOM 445 C LEU A 160 3.366 -9.863 0.423 1.00 0.00 C ATOM 446 O LEU A 160 4.582 -10.018 0.543 1.00 0.00 O ATOM 447 CB LEU A 160 3.096 -8.290 -1.503 1.00 0.00 C ATOM 448 CG LEU A 160 3.582 -7.264 -0.478 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.039 -5.991 -1.173 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.485 -6.958 0.532 1.00 0.00 C ATOM 0 H LEU A 160 0.763 -8.960 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 160 3.127 -10.435 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.871 -8.414 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.221 -7.882 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 160 4.432 -7.687 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.381 -5.273 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.856 -6.223 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.207 -5.564 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.848 -6.226 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.615 -6.555 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.205 -7.873 1.053 1.00 0.00 H new ATOM 462 N HIS A 161 2.532 -9.854 1.458 1.00 0.00 N ATOM 463 CA HIS A 161 3.009 -10.030 2.826 1.00 0.00 C ATOM 464 C HIS A 161 3.843 -11.302 2.950 1.00 0.00 C ATOM 465 O HIS A 161 4.807 -11.352 3.714 1.00 0.00 O ATOM 466 CB HIS A 161 1.829 -10.082 3.796 1.00 0.00 C ATOM 467 CG HIS A 161 1.675 -8.841 4.620 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.617 -8.425 5.538 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.683 -7.921 4.659 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.209 -7.305 6.107 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.038 -6.978 5.591 1.00 0.00 N ATOM 0 H HIS A 161 1.523 -9.727 1.376 1.00 0.00 H new ATOM 0 HA HIS A 161 3.639 -9.178 3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.912 -10.249 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.954 -10.937 4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.220 -7.928 4.067 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.742 -6.751 6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.487 -6.158 5.844 1.00 0.00 H new ATOM 479 N THR A 162 3.464 -12.329 2.196 1.00 0.00 N ATOM 480 CA THR A 162 4.174 -13.601 2.223 1.00 0.00 C ATOM 481 C THR A 162 5.444 -13.539 1.382 1.00 0.00 C ATOM 482 O THR A 162 5.516 -12.800 0.402 1.00 0.00 O ATOM 483 CB THR A 162 3.288 -14.751 1.710 1.00 0.00 C ATOM 484 OG1 THR A 162 4.031 -15.975 1.700 1.00 0.00 O ATOM 485 CG2 THR A 162 2.771 -14.453 0.311 1.00 0.00 C ATOM 0 H THR A 162 2.668 -12.304 1.558 1.00 0.00 H new ATOM 0 HA THR A 162 4.438 -13.793 3.263 1.00 0.00 H new ATOM 0 HB THR A 162 2.435 -14.851 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.460 -16.702 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.148 -15.279 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.181 -13.537 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.613 -14.329 -0.369 1.00 0.00 H new