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 36:sc= 0.443 USER MOD Set 1.2: A 144 CYS SG : rot -47:sc= 0.447 USER MOD Set 1.3: A 157 HIS : no HD1:sc= -0.783 K(o=-0.91,f=-5.7!) USER MOD Set 1.4: A 161 HIS : no HD1:sc= -1.02 K(o=-0.91,f=-3.2) USER MOD Single : A 137 LYS NZ :NH3+ -153:sc= 0.472 (180deg=0.186) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.575 USER MOD Single : A 140 GLN : amide:sc= 0.795 K(o=0.79,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -155:sc= 0.165 (180deg=0.0265) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.606 USER MOD Single : A 149 SER OG : rot 64:sc= 0.538 USER MOD Single : A 150 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 153 SER OG : rot 180:sc= -0.345 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.731 8.235 8.687 1.00 0.00 N ATOM 67 CA GLU A 136 -9.600 6.785 8.605 1.00 0.00 C ATOM 68 C GLU A 136 -9.908 6.290 7.194 1.00 0.00 C ATOM 69 O GLU A 136 -10.486 7.013 6.383 1.00 0.00 O ATOM 70 CB GLU A 136 -10.535 6.108 9.609 1.00 0.00 C ATOM 71 CG GLU A 136 -10.036 6.171 11.043 1.00 0.00 C ATOM 72 CD GLU A 136 -9.274 4.925 11.452 1.00 0.00 C ATOM 73 OE1 GLU A 136 -8.589 4.338 10.589 1.00 0.00 O ATOM 74 OE2 GLU A 136 -9.364 4.538 12.636 1.00 0.00 O ATOM 0 HA GLU A 136 -8.569 6.525 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.516 6.579 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.666 5.064 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.391 7.042 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.884 6.310 11.713 1.00 0.00 H new ATOM 81 N LYS A 137 -9.516 5.053 6.909 1.00 0.00 N ATOM 82 CA LYS A 137 -9.750 4.459 5.598 1.00 0.00 C ATOM 83 C LYS A 137 -10.735 3.299 5.694 1.00 0.00 C ATOM 84 O LYS A 137 -10.901 2.679 6.744 1.00 0.00 O ATOM 85 CB LYS A 137 -8.431 3.973 4.993 1.00 0.00 C ATOM 86 CG LYS A 137 -7.515 5.100 4.547 1.00 0.00 C ATOM 87 CD LYS A 137 -6.472 4.611 3.556 1.00 0.00 C ATOM 88 CE LYS A 137 -5.481 5.710 3.202 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.318 5.183 2.435 1.00 0.00 N ATOM 0 H LYS A 137 -9.035 4.442 7.569 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.179 5.224 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.908 3.360 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.647 3.332 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.108 5.893 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.018 5.532 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.938 3.760 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.966 4.259 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.985 6.478 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.127 6.188 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.490 5.790 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.105 4.215 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.546 5.175 1.420 1.00 0.00 H new ATOM 103 N PRO A 138 -11.405 2.996 4.572 1.00 0.00 N ATOM 104 CA PRO A 138 -12.383 1.906 4.504 1.00 0.00 C ATOM 105 C PRO A 138 -11.729 0.532 4.601 1.00 0.00 C ATOM 106 O PRO A 138 -12.406 -0.474 4.815 1.00 0.00 O ATOM 107 CB PRO A 138 -13.029 2.095 3.128 1.00 0.00 C ATOM 108 CG PRO A 138 -11.999 2.806 2.321 1.00 0.00 C ATOM 109 CD PRO A 138 -11.257 3.692 3.283 1.00 0.00 C ATOM 0 HA PRO A 138 -13.091 1.942 5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.292 1.137 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.948 2.677 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.323 2.099 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.462 3.393 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.209 3.800 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.683 4.695 3.316 1.00 0.00 H new ATOM 117 N TYR A 139 -10.411 0.497 4.443 1.00 0.00 N ATOM 118 CA TYR A 139 -9.666 -0.754 4.512 1.00 0.00 C ATOM 119 C TYR A 139 -8.471 -0.626 5.451 1.00 0.00 C ATOM 120 O TYR A 139 -7.894 0.452 5.595 1.00 0.00 O ATOM 121 CB TYR A 139 -9.191 -1.166 3.117 1.00 0.00 C ATOM 122 CG TYR A 139 -10.291 -1.171 2.080 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.251 -2.175 2.062 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.369 -0.173 1.117 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.258 -2.184 1.116 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.373 -0.173 0.168 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.314 -1.180 0.171 1.00 0.00 C ATOM 128 OH TYR A 139 -13.315 -1.185 -0.774 1.00 0.00 O ATOM 0 H TYR A 139 -9.836 1.321 4.266 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.332 -1.523 4.904 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.403 -0.485 2.795 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.750 -2.161 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.209 -2.962 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.632 0.617 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.997 -2.972 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.420 0.612 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.212 -0.409 -1.364 1.00 0.00 H new ATOM 138 N GLN A 140 -8.104 -1.734 6.087 1.00 0.00 N ATOM 139 CA GLN A 140 -6.978 -1.746 7.013 1.00 0.00 C ATOM 140 C GLN A 140 -6.370 -3.141 7.112 1.00 0.00 C ATOM 141 O GLN A 140 -7.074 -4.121 7.355 1.00 0.00 O ATOM 142 CB GLN A 140 -7.423 -1.271 8.397 1.00 0.00 C ATOM 143 CG GLN A 140 -6.304 -1.259 9.425 1.00 0.00 C ATOM 144 CD GLN A 140 -6.708 -1.903 10.737 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.660 -1.470 11.387 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.985 -2.943 11.133 1.00 0.00 N ATOM 0 H GLN A 140 -8.570 -2.635 5.978 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.218 -1.065 6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.837 -0.266 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.225 -1.917 8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.438 -1.782 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.997 -0.230 9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.204 -3.268 10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.210 -3.417 12.008 1.00 0.00 H new ATOM 155 N CYS A 141 -5.057 -3.224 6.922 1.00 0.00 N ATOM 156 CA CYS A 141 -4.353 -4.499 6.989 1.00 0.00 C ATOM 157 C CYS A 141 -4.349 -5.044 8.414 1.00 0.00 C ATOM 158 O CYS A 141 -4.133 -4.303 9.373 1.00 0.00 O ATOM 159 CB CYS A 141 -2.916 -4.338 6.488 1.00 0.00 C ATOM 160 SG CYS A 141 -2.046 -5.914 6.209 1.00 0.00 S ATOM 0 H CYS A 141 -4.459 -2.423 6.720 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.877 -5.209 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.928 -3.772 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.354 -3.748 7.212 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.885 -6.799 5.759 1.00 0.00 H new ATOM 165 N LYS A 142 -4.588 -6.344 8.545 1.00 0.00 N ATOM 166 CA LYS A 142 -4.611 -6.990 9.851 1.00 0.00 C ATOM 167 C LYS A 142 -3.331 -7.786 10.087 1.00 0.00 C ATOM 168 O LYS A 142 -3.326 -8.763 10.836 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.913 9.966 1.00 0.00 C ATOM 170 CG LYS A 142 -5.798 -9.079 8.993 1.00 0.00 C ATOM 171 CD LYS A 142 -6.675 -8.815 7.780 1.00 0.00 C ATOM 172 CE LYS A 142 -6.559 -9.932 6.754 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.674 -9.896 5.767 1.00 0.00 N ATOM 0 H LYS A 142 -4.769 -6.971 7.761 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.680 -6.212 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.882 -8.301 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.732 -7.331 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.773 -9.259 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.137 -9.984 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.714 -8.716 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.389 -7.868 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.607 -9.846 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.557 -10.895 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.819 -10.847 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.545 -9.581 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.437 -9.235 5.000 1.00 0.00 H new ATOM 187 N GLU A 143 -2.248 -7.362 9.443 1.00 0.00 N ATOM 188 CA GLU A 143 -0.963 -8.036 9.584 1.00 0.00 C ATOM 189 C GLU A 143 0.100 -7.076 10.112 1.00 0.00 C ATOM 190 O GLU A 143 0.990 -7.471 10.865 1.00 0.00 O ATOM 191 CB GLU A 143 -0.518 -8.619 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.611 -9.389 7.520 1.00 0.00 C ATOM 193 CD GLU A 143 -2.220 -10.480 8.378 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.572 -10.889 9.365 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.343 -10.926 8.064 1.00 0.00 O ATOM 0 H GLU A 143 -2.235 -6.555 8.819 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.084 -8.847 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.172 -7.809 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.332 -9.281 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.394 -8.697 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.200 -9.832 6.613 1.00 0.00 H new ATOM 202 N CYS A 144 0.000 -5.813 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.951 -4.796 10.141 1.00 0.00 C ATOM 204 C CYS A 144 0.226 -3.571 10.692 1.00 0.00 C ATOM 205 O CYS A 144 0.672 -2.957 11.660 1.00 0.00 O ATOM 206 CB CYS A 144 1.853 -4.386 8.975 1.00 0.00 C ATOM 207 SG CYS A 144 0.949 -3.829 7.495 1.00 0.00 S ATOM 0 H CYS A 144 -0.731 -5.470 9.088 1.00 0.00 H new ATOM 0 HA CYS A 144 1.565 -5.221 10.935 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.515 -3.586 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.486 -5.231 8.704 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.012 -4.665 7.233 1.00 0.00 H new ATOM 212 N GLY A 145 -0.895 -3.223 10.068 1.00 0.00 N ATOM 213 CA GLY A 145 -1.664 -2.074 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.797 -1.017 9.432 1.00 0.00 C ATOM 215 O GLY A 145 -2.115 0.137 9.720 1.00 0.00 O ATOM 0 H GLY A 145 -1.284 -3.716 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.657 -2.402 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.187 -1.636 11.387 1.00 0.00 H new ATOM 219 N LYS A 146 -1.553 -1.410 8.186 1.00 0.00 N ATOM 220 CA LYS A 146 -1.647 -0.488 7.061 1.00 0.00 C ATOM 221 C LYS A 146 -3.103 -0.161 6.745 1.00 0.00 C ATOM 222 O LYS A 146 -4.019 -0.716 7.352 1.00 0.00 O ATOM 223 CB LYS A 146 -0.969 -1.087 5.826 1.00 0.00 C ATOM 224 CG LYS A 146 0.303 -0.363 5.419 1.00 0.00 C ATOM 225 CD LYS A 146 0.375 -0.166 3.914 1.00 0.00 C ATOM 226 CE LYS A 146 0.983 1.182 3.557 1.00 0.00 C ATOM 227 NZ LYS A 146 2.471 1.138 3.560 1.00 0.00 N ATOM 0 H LYS A 146 -1.289 -2.361 7.930 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.137 0.435 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.735 -2.133 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.670 -1.068 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.346 0.606 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.170 -0.932 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.970 -0.964 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.626 -0.239 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.631 1.490 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.641 1.934 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.847 2.076 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.808 0.869 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.799 0.438 2.864 1.00 0.00 H new ATOM 241 N SER A 147 -3.308 0.743 5.792 1.00 0.00 N ATOM 242 CA SER A 147 -4.653 1.145 5.398 1.00 0.00 C ATOM 243 C SER A 147 -4.677 1.614 3.946 1.00 0.00 C ATOM 244 O SER A 147 -3.805 2.366 3.511 1.00 0.00 O ATOM 245 CB SER A 147 -5.164 2.259 6.314 1.00 0.00 C ATOM 246 OG SER A 147 -4.676 3.524 5.899 1.00 0.00 O ATOM 0 H SER A 147 -2.560 1.210 5.279 1.00 0.00 H new ATOM 0 HA SER A 147 -5.307 0.278 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.254 2.267 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.851 2.063 7.340 1.00 0.00 H new ATOM 0 HG SER A 147 -5.018 4.219 6.499 1.00 0.00 H new ATOM 252 N PHE A 148 -5.681 1.163 3.202 1.00 0.00 N ATOM 253 CA PHE A 148 -5.819 1.534 1.798 1.00 0.00 C ATOM 254 C PHE A 148 -7.218 2.072 1.513 1.00 0.00 C ATOM 255 O PHE A 148 -8.138 1.892 2.310 1.00 0.00 O ATOM 256 CB PHE A 148 -5.530 0.330 0.900 1.00 0.00 C ATOM 257 CG PHE A 148 -4.124 -0.185 1.021 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.764 -1.012 2.072 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.164 0.157 0.083 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.471 -1.487 2.186 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.869 -0.315 0.192 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.523 -1.139 1.244 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.540 3.547 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.096 2.321 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.225 -0.473 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.719 0.607 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.502 -1.289 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.430 0.800 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.202 -2.130 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.129 -0.039 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.513 -1.511 1.330 1.00 0.00 H new ATOM 272 N SER A 149 -7.369 2.735 0.371 1.00 0.00 N ATOM 273 CA SER A 149 -8.654 3.304 -0.019 1.00 0.00 C ATOM 274 C SER A 149 -9.246 2.547 -1.204 1.00 0.00 C ATOM 275 O SER A 149 -10.085 3.074 -1.934 1.00 0.00 O ATOM 276 CB SER A 149 -8.494 4.783 -0.373 1.00 0.00 C ATOM 277 OG SER A 149 -8.292 4.956 -1.765 1.00 0.00 O ATOM 0 H SER A 149 -6.617 2.891 -0.301 1.00 0.00 H new ATOM 0 HA SER A 149 -9.336 3.212 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.382 5.333 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.650 5.202 0.175 1.00 0.00 H new ATOM 0 HG SER A 149 -9.087 4.652 -2.251 1.00 0.00 H new ATOM 283 N GLN A 150 -8.803 1.307 -1.387 1.00 0.00 N ATOM 284 CA GLN A 150 -9.289 0.477 -2.484 1.00 0.00 C ATOM 285 C GLN A 150 -9.212 -1.002 -2.122 1.00 0.00 C ATOM 286 O GLN A 150 -8.158 -1.501 -1.727 1.00 0.00 O ATOM 287 CB GLN A 150 -8.479 0.747 -3.753 1.00 0.00 C ATOM 288 CG GLN A 150 -8.620 2.168 -4.274 1.00 0.00 C ATOM 289 CD GLN A 150 -10.042 2.503 -4.676 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.912 1.632 -4.711 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.288 3.772 -4.983 1.00 0.00 N ATOM 0 H GLN A 150 -8.109 0.855 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.333 0.734 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.427 0.545 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.794 0.051 -4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.289 2.867 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.962 2.303 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.538 4.462 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.227 4.057 -5.261 1.00 0.00 H new ATOM 300 N ARG A 151 -10.335 -1.699 -2.259 1.00 0.00 N ATOM 301 CA ARG A 151 -10.396 -3.121 -1.945 1.00 0.00 C ATOM 302 C ARG A 151 -9.297 -3.887 -2.676 1.00 0.00 C ATOM 303 O ARG A 151 -8.710 -4.822 -2.133 1.00 0.00 O ATOM 304 CB ARG A 151 -11.765 -3.691 -2.320 1.00 0.00 C ATOM 305 CG ARG A 151 -11.986 -5.114 -1.835 1.00 0.00 C ATOM 306 CD ARG A 151 -13.257 -5.230 -1.008 1.00 0.00 C ATOM 307 NE ARG A 151 -14.448 -4.900 -1.785 1.00 0.00 N ATOM 308 CZ ARG A 151 -15.632 -4.640 -1.241 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.781 -4.671 0.076 1.00 0.00 N ATOM 310 NH2 ARG A 151 -16.669 -4.347 -2.015 1.00 0.00 N ATOM 0 H ARG A 151 -11.216 -1.301 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.244 -3.236 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.542 -3.050 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.876 -3.664 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.045 -5.786 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.132 -5.433 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.346 -6.245 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.191 -4.566 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.367 -4.867 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.986 -4.895 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.691 -4.471 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -16.558 -4.321 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -17.578 -4.148 -1.596 1.00 0.00 H new ATOM 324 N GLY A 152 -9.024 -3.482 -3.913 1.00 0.00 N ATOM 325 CA GLY A 152 -7.997 -4.141 -4.699 1.00 0.00 C ATOM 326 C GLY A 152 -6.598 -3.808 -4.220 1.00 0.00 C ATOM 327 O GLY A 152 -5.722 -4.673 -4.192 1.00 0.00 O ATOM 0 H GLY A 152 -9.495 -2.710 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.146 -5.220 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.099 -3.848 -5.744 1.00 0.00 H new ATOM 331 N SER A 153 -6.385 -2.551 -3.845 1.00 0.00 N ATOM 332 CA SER A 153 -5.081 -2.104 -3.371 1.00 0.00 C ATOM 333 C SER A 153 -4.668 -2.869 -2.116 1.00 0.00 C ATOM 334 O SER A 153 -3.556 -3.390 -2.030 1.00 0.00 O ATOM 335 CB SER A 153 -5.106 -0.602 -3.081 1.00 0.00 C ATOM 336 OG SER A 153 -5.222 0.146 -4.279 1.00 0.00 O ATOM 0 H SER A 153 -7.100 -1.823 -3.860 1.00 0.00 H new ATOM 0 HA SER A 153 -4.350 -2.303 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.942 -0.370 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.195 -0.314 -2.556 1.00 0.00 H new ATOM 0 HG SER A 153 -5.238 1.103 -4.067 1.00 0.00 H new ATOM 342 N LEU A 154 -5.573 -2.931 -1.145 1.00 0.00 N ATOM 343 CA LEU A 154 -5.305 -3.631 0.106 1.00 0.00 C ATOM 344 C LEU A 154 -4.887 -5.074 -0.156 1.00 0.00 C ATOM 345 O LEU A 154 -3.885 -5.548 0.379 1.00 0.00 O ATOM 346 CB LEU A 154 -6.542 -3.601 1.005 1.00 0.00 C ATOM 347 CG LEU A 154 -6.571 -4.625 2.141 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.438 -4.368 3.121 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.915 -4.592 2.854 1.00 0.00 C ATOM 0 H LEU A 154 -6.498 -2.505 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.484 -3.121 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.627 -2.605 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.423 -3.754 0.382 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.434 -5.618 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.475 -5.106 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.483 -4.444 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.542 -3.369 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.918 -5.327 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.082 -3.598 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.709 -4.827 2.145 1.00 0.00 H new ATOM 361 N ALA A 155 -5.661 -5.768 -0.985 1.00 0.00 N ATOM 362 CA ALA A 155 -5.370 -7.155 -1.322 1.00 0.00 C ATOM 363 C ALA A 155 -3.924 -7.317 -1.779 1.00 0.00 C ATOM 364 O ALA A 155 -3.206 -8.197 -1.303 1.00 0.00 O ATOM 365 CB ALA A 155 -6.324 -7.649 -2.399 1.00 0.00 C ATOM 0 H ALA A 155 -6.495 -5.391 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.510 -7.758 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.094 -8.687 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.350 -7.579 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.213 -7.035 -3.293 1.00 0.00 H new ATOM 371 N VAL A 156 -3.502 -6.462 -2.705 1.00 0.00 N ATOM 372 CA VAL A 156 -2.141 -6.510 -3.227 1.00 0.00 C ATOM 373 C VAL A 156 -1.118 -6.415 -2.101 1.00 0.00 C ATOM 374 O VAL A 156 -0.008 -6.937 -2.210 1.00 0.00 O ATOM 375 CB VAL A 156 -1.886 -5.374 -4.235 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.514 -5.525 -4.874 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.977 -5.347 -5.295 1.00 0.00 C ATOM 0 H VAL A 156 -4.083 -5.728 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.030 -7.468 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.908 -4.425 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.352 -4.713 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.253 -5.490 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.459 -6.480 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.781 -4.538 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.989 -6.297 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.944 -5.186 -4.818 1.00 0.00 H new ATOM 387 N HIS A 157 -1.498 -5.745 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.613 -5.582 0.130 1.00 0.00 C ATOM 389 C HIS A 157 -0.806 -6.718 1.131 1.00 0.00 C ATOM 390 O HIS A 157 0.036 -6.941 2.000 1.00 0.00 O ATOM 391 CB HIS A 157 -0.870 -4.238 0.812 1.00 0.00 C ATOM 392 CG HIS A 157 -0.164 -4.087 2.125 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.075 -3.495 2.249 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.532 -4.455 3.374 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.440 -3.506 3.519 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.482 -4.083 4.223 1.00 0.00 N ATOM 0 H HIS A 157 -2.413 -5.306 -0.911 1.00 0.00 H new ATOM 0 HA HIS A 157 0.416 -5.608 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.555 -3.435 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.942 -4.119 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.451 -4.949 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.364 -3.111 3.914 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.494 -4.229 5.233 1.00 0.00 H new ATOM 404 N GLU A 158 -1.920 -7.431 1.001 1.00 0.00 N ATOM 405 CA GLU A 158 -2.223 -8.543 1.895 1.00 0.00 C ATOM 406 C GLU A 158 -1.702 -9.858 1.324 1.00 0.00 C ATOM 407 O GLU A 158 -1.641 -10.870 2.023 1.00 0.00 O ATOM 408 CB GLU A 158 -3.732 -8.639 2.132 1.00 0.00 C ATOM 409 CG GLU A 158 -4.334 -7.382 2.738 1.00 0.00 C ATOM 410 CD GLU A 158 -5.261 -7.681 3.900 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.766 -7.795 5.041 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.482 -7.801 3.668 1.00 0.00 O ATOM 0 H GLU A 158 -2.627 -7.259 0.286 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.724 -8.357 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.228 -8.849 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.935 -9.483 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.532 -6.727 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.885 -6.840 1.969 1.00 0.00 H new ATOM 419 N ARG A 159 -1.328 -9.836 0.049 1.00 0.00 N ATOM 420 CA ARG A 159 -0.814 -11.027 -0.617 1.00 0.00 C ATOM 421 C ARG A 159 0.711 -11.005 -0.668 1.00 0.00 C ATOM 422 O ARG A 159 1.362 -12.038 -0.509 1.00 0.00 O ATOM 423 CB ARG A 159 -1.381 -11.129 -2.034 1.00 0.00 C ATOM 424 CG ARG A 159 -1.024 -9.946 -2.920 1.00 0.00 C ATOM 425 CD ARG A 159 0.145 -10.270 -3.837 1.00 0.00 C ATOM 426 NE ARG A 159 -0.141 -11.406 -4.709 1.00 0.00 N ATOM 427 CZ ARG A 159 0.640 -11.772 -5.719 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.749 -11.095 -5.983 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.312 -12.817 -6.468 1.00 0.00 N ATOM 0 H ARG A 159 -1.371 -9.007 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.129 -11.899 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.013 -12.044 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.466 -11.215 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.890 -9.664 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.773 -9.087 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.381 -9.397 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.028 -10.488 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 159 -0.987 -11.948 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.004 -10.291 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.347 -11.378 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.541 -13.340 -6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.912 -13.097 -7.243 1.00 0.00 H new ATOM 443 N LEU A 160 1.273 -9.823 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.722 -9.667 -0.965 1.00 0.00 C ATOM 445 C LEU A 160 3.360 -9.855 0.408 1.00 0.00 C ATOM 446 O LEU A 160 4.576 -10.009 0.524 1.00 0.00 O ATOM 447 CB LEU A 160 3.078 -8.287 -1.520 1.00 0.00 C ATOM 448 CG LEU A 160 3.567 -7.258 -0.499 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.019 -5.986 -1.199 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.474 -6.952 0.514 1.00 0.00 C ATOM 0 H LEU A 160 0.748 -8.959 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 160 3.112 -10.434 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.850 -8.411 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.199 -7.882 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 160 4.420 -7.678 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.364 -5.265 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.834 -6.218 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.184 -5.562 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.839 -6.218 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.601 -6.551 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.197 -7.867 1.038 1.00 0.00 H new ATOM 462 N HIS A 161 2.530 -9.844 1.447 1.00 0.00 N ATOM 463 CA HIS A 161 3.013 -10.017 2.812 1.00 0.00 C ATOM 464 C HIS A 161 3.855 -11.283 2.935 1.00 0.00 C ATOM 465 O HIS A 161 4.800 -11.340 3.723 1.00 0.00 O ATOM 466 CB HIS A 161 1.837 -10.077 3.788 1.00 0.00 C ATOM 467 CG HIS A 161 1.682 -8.839 4.616 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.621 -8.428 5.538 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.689 -7.920 4.657 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.213 -7.310 6.111 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.043 -6.980 5.594 1.00 0.00 N ATOM 0 H HIS A 161 1.521 -9.717 1.369 1.00 0.00 H new ATOM 0 HA HIS A 161 3.639 -9.160 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.918 -10.246 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.968 -10.933 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.213 -7.925 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.745 -6.759 6.873 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.492 -6.160 5.849 1.00 0.00 H new ATOM 479 N THR A 162 3.508 -12.298 2.150 1.00 0.00 N ATOM 480 CA THR A 162 4.231 -13.563 2.171 1.00 0.00 C ATOM 481 C THR A 162 5.458 -13.511 1.269 1.00 0.00 C ATOM 482 O THR A 162 5.459 -12.829 0.245 1.00 0.00 O ATOM 483 CB THR A 162 3.331 -14.732 1.728 1.00 0.00 C ATOM 484 OG1 THR A 162 4.080 -15.952 1.719 1.00 0.00 O ATOM 485 CG2 THR A 162 2.754 -14.476 0.343 1.00 0.00 C ATOM 0 H THR A 162 2.730 -12.268 1.491 1.00 0.00 H new ATOM 0 HA THR A 162 4.548 -13.728 3.201 1.00 0.00 H new ATOM 0 HB THR A 162 2.508 -14.817 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.500 -16.690 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.122 -15.315 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.160 -13.562 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.567 -14.367 -0.375 1.00 0.00 H new