USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=9 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 141 CYS SG : rot 37:sc= 0.448 USER MOD Set 1.2: A 144 CYS SG : rot -47:sc= 0.454 USER MOD Set 1.3: A 157 HIS : no HD1:sc= -0.775 K(o=-0.89,f=-5.8!) USER MOD Set 1.4: A 161 HIS : no HD1:sc= -1.01 K(o=-0.89,f=-3) USER MOD Set 2.1: A 137 LYS NZ :NH3+ 145:sc= 0.695 (180deg=0.111) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 140 GLN : amide:sc= 0.597 K(o=0.6,f=-0.11) USER MOD Single : A 142 LYS NZ :NH3+ -155:sc= 0.394 (180deg=0.149) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 64:sc= 0.398 USER MOD Single : A 150 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.4) USER MOD Single : A 153 SER OG : rot 180:sc= -0.217 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.724 8.218 8.698 1.00 0.00 N ATOM 67 CA GLU A 136 -9.589 6.769 8.613 1.00 0.00 C ATOM 68 C GLU A 136 -9.905 6.274 7.204 1.00 0.00 C ATOM 69 O GLU A 136 -10.491 6.996 6.397 1.00 0.00 O ATOM 70 CB GLU A 136 -10.514 6.088 9.623 1.00 0.00 C ATOM 71 CG GLU A 136 -9.790 5.556 10.849 1.00 0.00 C ATOM 72 CD GLU A 136 -10.557 4.447 11.543 1.00 0.00 C ATOM 73 OE1 GLU A 136 -11.802 4.521 11.583 1.00 0.00 O ATOM 74 OE2 GLU A 136 -9.910 3.505 12.048 1.00 0.00 O ATOM 0 HA GLU A 136 -8.556 6.513 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.276 6.799 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -11.032 5.264 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.809 5.185 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -9.624 6.373 11.551 1.00 0.00 H new ATOM 81 N LYS A 137 -9.511 5.039 6.915 1.00 0.00 N ATOM 82 CA LYS A 137 -9.752 4.445 5.605 1.00 0.00 C ATOM 83 C LYS A 137 -10.732 3.281 5.707 1.00 0.00 C ATOM 84 O LYS A 137 -10.885 2.658 6.757 1.00 0.00 O ATOM 85 CB LYS A 137 -8.435 3.965 4.990 1.00 0.00 C ATOM 86 CG LYS A 137 -7.521 5.096 4.552 1.00 0.00 C ATOM 87 CD LYS A 137 -6.465 4.611 3.572 1.00 0.00 C ATOM 88 CE LYS A 137 -5.485 5.719 3.216 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.074 5.310 3.458 1.00 0.00 N ATOM 0 H LYS A 137 -9.023 4.429 7.571 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.189 5.209 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.909 3.345 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.654 3.332 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.113 5.885 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.036 5.532 5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.924 3.770 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.948 4.246 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.610 5.991 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.712 6.608 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.460 5.736 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -3.775 5.635 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.000 4.274 3.409 1.00 0.00 H new ATOM 103 N PRO A 138 -11.410 2.978 4.590 1.00 0.00 N ATOM 104 CA PRO A 138 -12.386 1.885 4.528 1.00 0.00 C ATOM 105 C PRO A 138 -11.726 0.514 4.616 1.00 0.00 C ATOM 106 O PRO A 138 -12.396 -0.496 4.836 1.00 0.00 O ATOM 107 CB PRO A 138 -13.044 2.075 3.160 1.00 0.00 C ATOM 108 CG PRO A 138 -12.024 2.792 2.344 1.00 0.00 C ATOM 109 CD PRO A 138 -11.278 3.679 3.302 1.00 0.00 C ATOM 0 HA PRO A 138 -13.088 1.917 5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.308 1.117 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.964 2.653 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.349 2.089 1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.496 3.378 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.233 3.794 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.710 4.679 3.343 1.00 0.00 H new ATOM 117 N TYR A 139 -10.409 0.484 4.444 1.00 0.00 N ATOM 118 CA TYR A 139 -9.658 -0.765 4.502 1.00 0.00 C ATOM 119 C TYR A 139 -8.457 -0.636 5.434 1.00 0.00 C ATOM 120 O TYR A 139 -7.859 0.433 5.548 1.00 0.00 O ATOM 121 CB TYR A 139 -9.191 -1.169 3.102 1.00 0.00 C ATOM 122 CG TYR A 139 -10.297 -1.168 2.071 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.262 -2.167 2.057 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.376 -0.167 1.111 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.273 -2.170 1.116 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.385 -0.161 0.167 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.330 -1.164 0.173 1.00 0.00 C ATOM 128 OH TYR A 139 -13.337 -1.163 -0.765 1.00 0.00 O ATOM 0 H TYR A 139 -9.839 1.310 4.263 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.318 -1.538 4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.405 -0.487 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.750 -2.165 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.221 -2.955 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.636 0.620 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.015 -2.955 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.433 0.626 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.234 -0.387 -1.354 1.00 0.00 H new ATOM 138 N GLN A 140 -8.111 -1.734 6.097 1.00 0.00 N ATOM 139 CA GLN A 140 -6.982 -1.745 7.019 1.00 0.00 C ATOM 140 C GLN A 140 -6.373 -3.140 7.119 1.00 0.00 C ATOM 141 O GLN A 140 -7.077 -4.119 7.366 1.00 0.00 O ATOM 142 CB GLN A 140 -7.423 -1.268 8.404 1.00 0.00 C ATOM 143 CG GLN A 140 -6.313 -1.306 9.443 1.00 0.00 C ATOM 144 CD GLN A 140 -6.711 -2.061 10.695 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.800 -1.861 11.234 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.829 -2.934 11.166 1.00 0.00 N ATOM 0 H GLN A 140 -8.596 -2.627 6.013 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.223 -1.065 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.800 -0.248 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.251 -1.889 8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.429 -1.772 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.036 -0.286 9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.938 -3.068 10.687 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.042 -3.471 12.007 1.00 0.00 H new ATOM 155 N CYS A 141 -5.061 -3.223 6.924 1.00 0.00 N ATOM 156 CA CYS A 141 -4.357 -4.497 6.990 1.00 0.00 C ATOM 157 C CYS A 141 -4.353 -5.043 8.416 1.00 0.00 C ATOM 158 O CYS A 141 -4.144 -4.301 9.376 1.00 0.00 O ATOM 159 CB CYS A 141 -2.920 -4.336 6.491 1.00 0.00 C ATOM 160 SG CYS A 141 -2.049 -5.912 6.211 1.00 0.00 S ATOM 0 H CYS A 141 -4.464 -2.422 6.719 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.880 -5.206 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.931 -3.769 5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.359 -3.747 7.216 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.883 -6.791 5.739 1.00 0.00 H new ATOM 165 N LYS A 142 -4.585 -6.345 8.545 1.00 0.00 N ATOM 166 CA LYS A 142 -4.607 -6.992 9.852 1.00 0.00 C ATOM 167 C LYS A 142 -3.328 -7.789 10.086 1.00 0.00 C ATOM 168 O LYS A 142 -3.324 -8.767 10.832 1.00 0.00 O ATOM 169 CB LYS A 142 -5.823 -7.914 9.966 1.00 0.00 C ATOM 170 CG LYS A 142 -5.797 -9.079 8.991 1.00 0.00 C ATOM 171 CD LYS A 142 -6.672 -8.811 7.779 1.00 0.00 C ATOM 172 CE LYS A 142 -6.556 -9.926 6.751 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.628 -9.844 5.720 1.00 0.00 N ATOM 0 H LYS A 142 -4.760 -6.973 7.761 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.674 -6.215 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.879 -8.303 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.728 -7.330 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.772 -9.261 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.138 -9.984 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.711 -8.711 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.385 -7.863 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.581 -9.873 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.610 -10.891 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.791 -10.787 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.506 -9.499 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.336 -9.188 4.967 1.00 0.00 H new ATOM 187 N GLU A 143 -2.244 -7.362 9.445 1.00 0.00 N ATOM 188 CA GLU A 143 -0.959 -8.037 9.585 1.00 0.00 C ATOM 189 C GLU A 143 0.104 -7.077 10.113 1.00 0.00 C ATOM 190 O GLU A 143 0.994 -7.473 10.866 1.00 0.00 O ATOM 191 CB GLU A 143 -0.514 -8.619 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.608 -9.387 7.519 1.00 0.00 C ATOM 193 CD GLU A 143 -2.217 -10.479 8.376 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.571 -10.888 9.363 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.340 -10.926 8.059 1.00 0.00 O ATOM 0 H GLU A 143 -2.230 -6.553 8.824 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.080 -8.849 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.167 -7.808 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.336 -9.282 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.390 -8.694 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.197 -9.829 6.611 1.00 0.00 H new ATOM 202 N CYS A 144 0.004 -5.814 9.712 1.00 0.00 N ATOM 203 CA CYS A 144 0.956 -4.798 10.143 1.00 0.00 C ATOM 204 C CYS A 144 0.231 -3.573 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.677 -2.958 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.859 -4.389 8.978 1.00 0.00 C ATOM 207 SG CYS A 144 0.956 -3.828 7.498 1.00 0.00 S ATOM 0 H CYS A 144 -0.727 -5.470 9.089 1.00 0.00 H new ATOM 0 HA CYS A 144 1.569 -5.223 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.523 -3.591 9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.490 -5.236 8.707 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.007 -4.661 7.235 1.00 0.00 H new ATOM 212 N GLY A 145 -0.890 -3.224 10.069 1.00 0.00 N ATOM 213 CA GLY A 145 -1.658 -2.075 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.793 -1.019 9.430 1.00 0.00 C ATOM 215 O GLY A 145 -2.112 0.135 9.717 1.00 0.00 O ATOM 0 H GLY A 145 -1.280 -3.717 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.650 -2.402 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.179 -1.636 11.385 1.00 0.00 H new ATOM 219 N LYS A 146 -1.549 -1.413 8.185 1.00 0.00 N ATOM 220 CA LYS A 146 -1.644 -0.493 7.058 1.00 0.00 C ATOM 221 C LYS A 146 -3.099 -0.155 6.753 1.00 0.00 C ATOM 222 O LYS A 146 -4.014 -0.673 7.394 1.00 0.00 O ATOM 223 CB LYS A 146 -0.980 -1.100 5.820 1.00 0.00 C ATOM 224 CG LYS A 146 0.292 -0.384 5.399 1.00 0.00 C ATOM 225 CD LYS A 146 0.340 -0.172 3.895 1.00 0.00 C ATOM 226 CE LYS A 146 0.959 1.171 3.541 1.00 0.00 C ATOM 227 NZ LYS A 146 2.447 1.119 3.559 1.00 0.00 N ATOM 0 H LYS A 146 -1.284 -2.364 7.931 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.124 0.427 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.749 -2.147 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.689 -1.081 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.353 0.579 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.159 -0.965 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.916 -0.973 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.669 -0.228 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.619 1.478 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.614 1.927 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.830 2.054 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.774 0.851 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.778 0.416 2.868 1.00 0.00 H new ATOM 241 N SER A 147 -3.307 0.716 5.771 1.00 0.00 N ATOM 242 CA SER A 147 -4.651 1.125 5.383 1.00 0.00 C ATOM 243 C SER A 147 -4.678 1.599 3.933 1.00 0.00 C ATOM 244 O SER A 147 -3.803 2.347 3.496 1.00 0.00 O ATOM 245 CB SER A 147 -5.155 2.237 6.304 1.00 0.00 C ATOM 246 OG SER A 147 -4.481 3.457 6.047 1.00 0.00 O ATOM 0 H SER A 147 -2.561 1.152 5.229 1.00 0.00 H new ATOM 0 HA SER A 147 -5.308 0.260 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.227 2.373 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 147 -5.006 1.948 7.344 1.00 0.00 H new ATOM 0 HG SER A 147 -4.822 4.152 6.647 1.00 0.00 H new ATOM 252 N PHE A 148 -5.689 1.159 3.191 1.00 0.00 N ATOM 253 CA PHE A 148 -5.830 1.536 1.790 1.00 0.00 C ATOM 254 C PHE A 148 -7.231 2.072 1.510 1.00 0.00 C ATOM 255 O PHE A 148 -8.148 1.893 2.312 1.00 0.00 O ATOM 256 CB PHE A 148 -5.540 0.337 0.885 1.00 0.00 C ATOM 257 CG PHE A 148 -4.136 -0.182 1.010 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.784 -1.020 2.055 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.169 0.167 0.081 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.493 -1.498 2.173 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.876 -0.309 0.193 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.538 -1.144 1.240 1.00 0.00 C ATOM 0 H PHE A 148 -6.423 0.541 3.537 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.109 2.325 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.238 -0.465 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.723 0.621 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.527 -1.303 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.429 0.819 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.231 -2.148 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.131 -0.028 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.529 -1.519 1.329 1.00 0.00 H new ATOM 272 N SER A 149 -7.389 2.731 0.366 1.00 0.00 N ATOM 273 CA SER A 149 -8.676 3.297 -0.019 1.00 0.00 C ATOM 274 C SER A 149 -9.273 2.537 -1.199 1.00 0.00 C ATOM 275 O SER A 149 -10.161 3.037 -1.888 1.00 0.00 O ATOM 276 CB SER A 149 -8.520 4.776 -0.377 1.00 0.00 C ATOM 277 OG SER A 149 -8.371 4.949 -1.776 1.00 0.00 O ATOM 0 H SER A 149 -6.641 2.886 -0.310 1.00 0.00 H new ATOM 0 HA SER A 149 -9.354 3.205 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.391 5.331 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.653 5.189 0.138 1.00 0.00 H new ATOM 0 HG SER A 149 -9.186 4.651 -2.231 1.00 0.00 H new ATOM 283 N GLN A 150 -8.778 1.324 -1.425 1.00 0.00 N ATOM 284 CA GLN A 150 -9.261 0.494 -2.522 1.00 0.00 C ATOM 285 C GLN A 150 -9.228 -0.983 -2.143 1.00 0.00 C ATOM 286 O GLN A 150 -8.194 -1.503 -1.722 1.00 0.00 O ATOM 287 CB GLN A 150 -8.419 0.730 -3.777 1.00 0.00 C ATOM 288 CG GLN A 150 -8.155 2.198 -4.065 1.00 0.00 C ATOM 289 CD GLN A 150 -7.710 2.442 -5.494 1.00 0.00 C ATOM 290 OE1 GLN A 150 -7.598 1.508 -6.289 1.00 0.00 O ATOM 291 NE2 GLN A 150 -7.455 3.701 -5.829 1.00 0.00 N ATOM 0 H GLN A 150 -8.043 0.895 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.294 0.774 -2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.466 0.213 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.926 0.286 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.061 2.772 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.389 2.566 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.561 4.444 -5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -7.153 3.925 -6.777 1.00 0.00 H new ATOM 300 N ARG A 151 -10.365 -1.653 -2.294 1.00 0.00 N ATOM 301 CA ARG A 151 -10.467 -3.070 -1.965 1.00 0.00 C ATOM 302 C ARG A 151 -9.386 -3.873 -2.684 1.00 0.00 C ATOM 303 O ARG A 151 -8.887 -4.868 -2.160 1.00 0.00 O ATOM 304 CB ARG A 151 -11.850 -3.605 -2.342 1.00 0.00 C ATOM 305 CG ARG A 151 -11.992 -5.107 -2.159 1.00 0.00 C ATOM 306 CD ARG A 151 -13.194 -5.452 -1.294 1.00 0.00 C ATOM 307 NE ARG A 151 -13.616 -6.839 -1.471 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.663 -7.373 -0.852 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.391 -6.640 -0.020 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.985 -8.643 -1.065 1.00 0.00 N ATOM 0 H ARG A 151 -11.229 -1.238 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.324 -3.179 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.603 -3.101 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.057 -3.353 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.094 -5.585 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.087 -5.506 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.948 -5.279 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.021 -4.787 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.077 -7.430 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -15.147 -5.664 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.194 -7.053 0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.428 -9.210 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -15.789 -9.052 -0.589 1.00 0.00 H new ATOM 324 N GLY A 152 -9.031 -3.433 -3.887 1.00 0.00 N ATOM 325 CA GLY A 152 -8.012 -4.123 -4.658 1.00 0.00 C ATOM 326 C GLY A 152 -6.609 -3.804 -4.182 1.00 0.00 C ATOM 327 O GLY A 152 -5.748 -4.682 -4.132 1.00 0.00 O ATOM 0 H GLY A 152 -9.430 -2.612 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.178 -5.198 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.107 -3.848 -5.708 1.00 0.00 H new ATOM 331 N SER A 153 -6.377 -2.542 -3.832 1.00 0.00 N ATOM 332 CA SER A 153 -5.067 -2.108 -3.362 1.00 0.00 C ATOM 333 C SER A 153 -4.657 -2.875 -2.109 1.00 0.00 C ATOM 334 O SER A 153 -3.545 -3.398 -2.023 1.00 0.00 O ATOM 335 CB SER A 153 -5.078 -0.606 -3.074 1.00 0.00 C ATOM 336 OG SER A 153 -5.149 0.144 -4.274 1.00 0.00 O ATOM 0 H SER A 153 -7.079 -1.803 -3.865 1.00 0.00 H new ATOM 0 HA SER A 153 -4.340 -2.315 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.928 -0.361 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.178 -0.332 -2.523 1.00 0.00 H new ATOM 0 HG SER A 153 -5.156 1.101 -4.062 1.00 0.00 H new ATOM 342 N LEU A 154 -5.563 -2.938 -1.139 1.00 0.00 N ATOM 343 CA LEU A 154 -5.297 -3.642 0.111 1.00 0.00 C ATOM 344 C LEU A 154 -4.879 -5.084 -0.154 1.00 0.00 C ATOM 345 O LEU A 154 -3.877 -5.559 0.381 1.00 0.00 O ATOM 346 CB LEU A 154 -6.536 -3.614 1.008 1.00 0.00 C ATOM 347 CG LEU A 154 -6.568 -4.641 2.140 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.426 -4.396 3.115 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.907 -4.598 2.862 1.00 0.00 C ATOM 0 H LEU A 154 -6.487 -2.510 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.477 -3.134 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.621 -2.619 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.416 -3.764 0.383 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.443 -5.634 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.465 -5.136 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.475 -4.479 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.519 -3.397 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.912 -5.336 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.062 -3.604 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.708 -4.823 2.158 1.00 0.00 H new ATOM 361 N ALA A 155 -5.652 -5.776 -0.984 1.00 0.00 N ATOM 362 CA ALA A 155 -5.359 -7.163 -1.324 1.00 0.00 C ATOM 363 C ALA A 155 -3.913 -7.324 -1.779 1.00 0.00 C ATOM 364 O ALA A 155 -3.195 -8.202 -1.301 1.00 0.00 O ATOM 365 CB ALA A 155 -6.312 -7.654 -2.404 1.00 0.00 C ATOM 0 H ALA A 155 -6.486 -5.399 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.499 -7.768 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.082 -8.691 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.338 -7.585 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.200 -7.038 -3.296 1.00 0.00 H new ATOM 371 N VAL A 156 -3.490 -6.469 -2.705 1.00 0.00 N ATOM 372 CA VAL A 156 -2.129 -6.516 -3.224 1.00 0.00 C ATOM 373 C VAL A 156 -1.107 -6.419 -2.097 1.00 0.00 C ATOM 374 O VAL A 156 0.003 -6.942 -2.204 1.00 0.00 O ATOM 375 CB VAL A 156 -1.873 -5.380 -4.233 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.493 -5.520 -4.857 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.953 -5.366 -5.304 1.00 0.00 C ATOM 0 H VAL A 156 -4.071 -5.735 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.017 -7.474 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.909 -4.430 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.331 -4.709 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.266 -5.476 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.424 -6.476 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.757 -4.558 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.951 -6.318 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.926 -5.212 -4.837 1.00 0.00 H new ATOM 387 N HIS A 157 -1.489 -5.748 -1.015 1.00 0.00 N ATOM 388 CA HIS A 157 -0.606 -5.583 0.134 1.00 0.00 C ATOM 389 C HIS A 157 -0.800 -6.718 1.135 1.00 0.00 C ATOM 390 O HIS A 157 0.040 -6.940 2.006 1.00 0.00 O ATOM 391 CB HIS A 157 -0.865 -4.238 0.814 1.00 0.00 C ATOM 392 CG HIS A 157 -0.161 -4.086 2.127 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.077 -3.494 2.254 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.531 -4.452 3.377 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.440 -3.504 3.524 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.481 -4.079 4.227 1.00 0.00 N ATOM 0 H HIS A 157 -2.404 -5.310 -0.910 1.00 0.00 H new ATOM 0 HA HIS A 157 0.423 -5.609 -0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.549 -3.436 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.937 -4.119 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.451 -4.945 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.364 -3.109 3.920 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.491 -4.223 5.237 1.00 0.00 H new ATOM 404 N GLU A 158 -1.914 -7.432 1.004 1.00 0.00 N ATOM 405 CA GLU A 158 -2.218 -8.543 1.899 1.00 0.00 C ATOM 406 C GLU A 158 -1.696 -9.859 1.329 1.00 0.00 C ATOM 407 O GLU A 158 -1.635 -10.870 2.030 1.00 0.00 O ATOM 408 CB GLU A 158 -3.727 -8.639 2.134 1.00 0.00 C ATOM 409 CG GLU A 158 -4.330 -7.383 2.740 1.00 0.00 C ATOM 410 CD GLU A 158 -5.253 -7.682 3.905 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.762 -7.746 5.051 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.468 -7.853 3.670 1.00 0.00 O ATOM 0 H GLU A 158 -2.620 -7.261 0.288 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.720 -8.356 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.221 -8.848 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.931 -9.484 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.528 -6.725 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.884 -6.843 1.972 1.00 0.00 H new ATOM 419 N ARG A 159 -1.322 -9.838 0.054 1.00 0.00 N ATOM 420 CA ARG A 159 -0.807 -11.029 -0.610 1.00 0.00 C ATOM 421 C ARG A 159 0.718 -11.007 -0.661 1.00 0.00 C ATOM 422 O ARG A 159 1.371 -12.039 -0.499 1.00 0.00 O ATOM 423 CB ARG A 159 -1.373 -11.133 -2.028 1.00 0.00 C ATOM 424 CG ARG A 159 -1.017 -9.951 -2.914 1.00 0.00 C ATOM 425 CD ARG A 159 0.155 -10.273 -3.829 1.00 0.00 C ATOM 426 NE ARG A 159 -0.138 -11.393 -4.719 1.00 0.00 N ATOM 427 CZ ARG A 159 -0.917 -11.297 -5.790 1.00 0.00 C ATOM 428 NH1 ARG A 159 -1.480 -10.138 -6.103 1.00 0.00 N ATOM 429 NH2 ARG A 159 -1.136 -12.362 -6.551 1.00 0.00 N ATOM 0 H ARG A 159 -1.366 -9.010 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.122 -11.900 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.003 -12.048 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.458 -11.220 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.883 -9.671 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.769 -9.091 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.404 -9.393 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.032 -10.509 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 159 0.279 -12.299 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -1.315 -9.317 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -2.078 -10.067 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.706 -13.256 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -1.735 -12.287 -7.373 1.00 0.00 H new ATOM 443 N LEU A 160 1.280 -9.824 -0.888 1.00 0.00 N ATOM 444 CA LEU A 160 2.729 -9.667 -0.960 1.00 0.00 C ATOM 445 C LEU A 160 3.367 -9.857 0.412 1.00 0.00 C ATOM 446 O LEU A 160 4.583 -10.011 0.527 1.00 0.00 O ATOM 447 CB LEU A 160 3.084 -8.286 -1.514 1.00 0.00 C ATOM 448 CG LEU A 160 3.573 -7.259 -0.492 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.026 -5.986 -1.189 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.480 -6.954 0.522 1.00 0.00 C ATOM 0 H LEU A 160 0.755 -8.960 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 160 3.120 -10.433 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.856 -8.409 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.205 -7.880 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 160 4.426 -7.681 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.370 -5.267 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.841 -6.217 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.192 -5.560 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.845 -6.221 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.607 -6.553 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.203 -7.869 1.045 1.00 0.00 H new ATOM 462 N HIS A 161 2.537 -9.848 1.451 1.00 0.00 N ATOM 463 CA HIS A 161 3.020 -10.022 2.816 1.00 0.00 C ATOM 464 C HIS A 161 3.862 -11.289 2.937 1.00 0.00 C ATOM 465 O HIS A 161 4.881 -11.307 3.629 1.00 0.00 O ATOM 466 CB HIS A 161 1.844 -10.082 3.792 1.00 0.00 C ATOM 467 CG HIS A 161 1.689 -8.844 4.620 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.628 -8.431 5.541 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.696 -7.924 4.660 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.219 -7.313 6.113 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.050 -6.984 5.596 1.00 0.00 N ATOM 0 H HIS A 161 1.528 -9.722 1.373 1.00 0.00 H new ATOM 0 HA HIS A 161 3.646 -9.165 3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.925 -10.251 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.975 -10.938 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.206 -7.929 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.751 -6.762 6.874 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.499 -6.164 5.851 1.00 0.00 H new ATOM 479 N THR A 162 3.429 -12.348 2.261 1.00 0.00 N ATOM 480 CA THR A 162 4.141 -13.619 2.294 1.00 0.00 C ATOM 481 C THR A 162 5.395 -13.570 1.428 1.00 0.00 C ATOM 482 O THR A 162 5.335 -13.213 0.252 1.00 0.00 O ATOM 483 CB THR A 162 3.246 -14.778 1.815 1.00 0.00 C ATOM 484 OG1 THR A 162 3.990 -16.001 1.807 1.00 0.00 O ATOM 485 CG2 THR A 162 2.701 -14.500 0.422 1.00 0.00 C ATOM 0 H THR A 162 2.588 -12.351 1.684 1.00 0.00 H new ATOM 0 HA THR A 162 4.425 -13.794 3.332 1.00 0.00 H new ATOM 0 HB THR A 162 2.407 -14.869 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.413 -16.733 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.072 -15.332 0.105 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.110 -13.584 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.530 -14.385 -0.277 1.00 0.00 H new