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 141 CYS SG : rot 37:sc= 0.454 USER MOD Set 1.2: A 144 CYS SG : rot -46:sc= 0.414 USER MOD Set 1.3: A 157 HIS : no HD1:sc= -0.804 K(o=-0.94,f=-5.8!) USER MOD Set 1.4: A 161 HIS : no HD1:sc= -1.01 K(o=-0.94,f=-2.9) USER MOD Set 2.1: A 137 LYS NZ :NH3+ -151:sc= 0.412 (180deg=0.162) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.206 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,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=-0.00545 USER MOD Single : A 150 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.8!) USER MOD Single : A 153 SER OG : rot 50:sc= -0.474 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 136 -9.455 8.263 8.625 1.00 0.00 N ATOM 67 CA GLU A 136 -9.488 6.806 8.574 1.00 0.00 C ATOM 68 C GLU A 136 -9.786 6.318 7.159 1.00 0.00 C ATOM 69 O GLU A 136 -10.267 7.076 6.316 1.00 0.00 O ATOM 70 CB GLU A 136 -10.539 6.263 9.544 1.00 0.00 C ATOM 71 CG GLU A 136 -10.114 6.328 11.001 1.00 0.00 C ATOM 72 CD GLU A 136 -8.917 5.446 11.300 1.00 0.00 C ATOM 73 OE1 GLU A 136 -8.684 4.486 10.536 1.00 0.00 O ATOM 74 OE2 GLU A 136 -8.215 5.715 12.296 1.00 0.00 O ATOM 0 HA GLU A 136 -8.506 6.435 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.463 6.827 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.760 5.228 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.874 7.359 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.949 6.027 11.633 1.00 0.00 H new ATOM 81 N LYS A 137 -9.495 5.047 6.904 1.00 0.00 N ATOM 82 CA LYS A 137 -9.731 4.455 5.593 1.00 0.00 C ATOM 83 C LYS A 137 -10.718 3.296 5.688 1.00 0.00 C ATOM 84 O LYS A 137 -10.881 2.673 6.738 1.00 0.00 O ATOM 85 CB LYS A 137 -8.414 3.969 4.985 1.00 0.00 C ATOM 86 CG LYS A 137 -7.493 5.095 4.548 1.00 0.00 C ATOM 87 CD LYS A 137 -6.451 4.610 3.555 1.00 0.00 C ATOM 88 CE LYS A 137 -5.465 5.712 3.198 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.065 5.335 3.538 1.00 0.00 N ATOM 0 H LYS A 137 -9.095 4.406 7.589 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.160 5.222 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.894 3.348 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.632 3.335 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.082 5.894 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.996 5.519 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.913 3.761 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.946 4.256 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.534 5.930 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.734 6.626 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.518 6.192 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.066 4.706 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.632 4.843 2.731 1.00 0.00 H new ATOM 103 N PRO A 138 -11.391 2.996 4.567 1.00 0.00 N ATOM 104 CA PRO A 138 -12.371 1.908 4.499 1.00 0.00 C ATOM 105 C PRO A 138 -11.718 0.533 4.592 1.00 0.00 C ATOM 106 O PRO A 138 -12.396 -0.473 4.800 1.00 0.00 O ATOM 107 CB PRO A 138 -13.020 2.101 3.127 1.00 0.00 C ATOM 108 CG PRO A 138 -11.992 2.813 2.318 1.00 0.00 C ATOM 109 CD PRO A 138 -11.247 3.696 3.280 1.00 0.00 C ATOM 0 HA PRO A 138 -13.078 1.943 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.285 1.145 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.938 2.684 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.318 2.106 1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.457 3.402 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.200 3.805 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.673 4.698 3.318 1.00 0.00 H new ATOM 117 N TYR A 139 -10.400 0.498 4.435 1.00 0.00 N ATOM 118 CA TYR A 139 -9.656 -0.754 4.499 1.00 0.00 C ATOM 119 C TYR A 139 -8.456 -0.628 5.433 1.00 0.00 C ATOM 120 O TYR A 139 -7.859 0.441 5.552 1.00 0.00 O ATOM 121 CB TYR A 139 -9.187 -1.165 3.102 1.00 0.00 C ATOM 122 CG TYR A 139 -10.291 -1.166 2.069 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.254 -2.168 2.054 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.371 -0.167 1.107 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.264 -2.174 1.112 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.378 -0.164 0.162 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.322 -1.170 0.168 1.00 0.00 C ATOM 128 OH TYR A 139 -13.327 -1.171 -0.772 1.00 0.00 O ATOM 0 H TYR A 139 -9.825 1.322 4.262 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.321 -1.522 4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.398 -0.486 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.748 -2.161 3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.212 -2.956 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.633 0.621 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.004 -2.960 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.426 0.622 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.224 -0.395 -1.362 1.00 0.00 H new ATOM 138 N GLN A 140 -8.111 -1.729 6.094 1.00 0.00 N ATOM 139 CA GLN A 140 -6.983 -1.743 7.018 1.00 0.00 C ATOM 140 C GLN A 140 -6.377 -3.139 7.116 1.00 0.00 C ATOM 141 O GLN A 140 -7.082 -4.118 7.357 1.00 0.00 O ATOM 142 CB GLN A 140 -7.426 -1.268 8.403 1.00 0.00 C ATOM 143 CG GLN A 140 -6.294 -1.206 9.415 1.00 0.00 C ATOM 144 CD GLN A 140 -6.781 -1.342 10.844 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.734 -0.678 11.254 1.00 0.00 O ATOM 146 NE2 GLN A 140 -6.128 -2.206 11.613 1.00 0.00 N ATOM 0 H GLN A 140 -8.596 -2.622 6.007 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.222 -1.063 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.876 -0.279 8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.201 -1.937 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.578 -1.999 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.764 -0.260 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.344 -2.736 11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.411 -2.340 12.584 1.00 0.00 H new ATOM 155 N CYS A 141 -5.064 -3.222 6.926 1.00 0.00 N ATOM 156 CA CYS A 141 -4.361 -4.498 6.992 1.00 0.00 C ATOM 157 C CYS A 141 -4.361 -5.046 8.416 1.00 0.00 C ATOM 158 O CYS A 141 -4.161 -4.304 9.378 1.00 0.00 O ATOM 159 CB CYS A 141 -2.923 -4.338 6.494 1.00 0.00 C ATOM 160 SG CYS A 141 -2.056 -5.914 6.209 1.00 0.00 S ATOM 0 H CYS A 141 -4.466 -2.421 6.725 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.884 -5.207 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.933 -3.768 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.361 -3.753 7.222 1.00 0.00 H new ATOM 0 HG CYS A 141 -2.889 -6.786 5.725 1.00 0.00 H new ATOM 165 N LYS A 142 -4.586 -6.349 8.543 1.00 0.00 N ATOM 166 CA LYS A 142 -4.610 -6.998 9.848 1.00 0.00 C ATOM 167 C LYS A 142 -3.330 -7.794 10.084 1.00 0.00 C ATOM 168 O LYS A 142 -3.325 -8.771 10.832 1.00 0.00 O ATOM 169 CB LYS A 142 -5.825 -7.922 9.959 1.00 0.00 C ATOM 170 CG LYS A 142 -5.795 -9.085 8.982 1.00 0.00 C ATOM 171 CD LYS A 142 -6.666 -8.815 7.767 1.00 0.00 C ATOM 172 CE LYS A 142 -6.542 -9.926 6.735 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.801 -10.106 5.961 1.00 0.00 N ATOM 0 H LYS A 142 -4.755 -6.977 7.757 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.680 -6.222 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.882 -8.313 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.731 -7.340 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.769 -9.266 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.138 -9.991 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.706 -8.720 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.380 -7.865 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.725 -9.697 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.287 -10.860 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.676 -10.872 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.576 -10.349 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.031 -9.223 5.463 1.00 0.00 H new ATOM 187 N GLU A 143 -2.247 -7.367 9.442 1.00 0.00 N ATOM 188 CA GLU A 143 -0.961 -8.041 9.584 1.00 0.00 C ATOM 189 C GLU A 143 0.101 -7.081 10.112 1.00 0.00 C ATOM 190 O GLU A 143 0.991 -7.475 10.866 1.00 0.00 O ATOM 191 CB GLU A 143 -0.515 -8.623 8.241 1.00 0.00 C ATOM 192 CG GLU A 143 -1.611 -9.380 7.511 1.00 0.00 C ATOM 193 CD GLU A 143 -2.226 -10.477 8.359 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.590 -10.884 9.354 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.342 -10.928 8.028 1.00 0.00 O ATOM 0 H GLU A 143 -2.234 -6.559 8.820 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.082 -8.852 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.158 -7.813 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.329 -9.293 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.390 -8.681 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.201 -9.816 6.600 1.00 0.00 H new ATOM 202 N CYS A 144 0.001 -5.818 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.952 -4.800 10.142 1.00 0.00 C ATOM 204 C CYS A 144 0.226 -3.577 10.694 1.00 0.00 C ATOM 205 O CYS A 144 0.672 -2.962 11.662 1.00 0.00 O ATOM 206 CB CYS A 144 1.854 -4.389 8.976 1.00 0.00 C ATOM 207 SG CYS A 144 0.949 -3.826 7.499 1.00 0.00 S ATOM 0 H CYS A 144 -0.730 -5.475 9.088 1.00 0.00 H new ATOM 0 HA CYS A 144 1.567 -5.225 10.936 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.518 -3.591 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.484 -5.235 8.702 1.00 0.00 H new ATOM 0 HG CYS A 144 -0.026 -4.649 7.248 1.00 0.00 H new ATOM 212 N GLY A 145 -0.896 -3.230 10.071 1.00 0.00 N ATOM 213 CA GLY A 145 -1.666 -2.082 10.514 1.00 0.00 C ATOM 214 C GLY A 145 -1.798 -1.022 9.438 1.00 0.00 C ATOM 215 O GLY A 145 -2.113 0.132 9.728 1.00 0.00 O ATOM 0 H GLY A 145 -1.286 -3.723 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.659 -2.411 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.190 -1.646 11.392 1.00 0.00 H new ATOM 219 N LYS A 146 -1.555 -1.413 8.192 1.00 0.00 N ATOM 220 CA LYS A 146 -1.647 -0.490 7.068 1.00 0.00 C ATOM 221 C LYS A 146 -3.103 -0.163 6.750 1.00 0.00 C ATOM 222 O LYS A 146 -4.020 -0.715 7.358 1.00 0.00 O ATOM 223 CB LYS A 146 -0.966 -1.086 5.834 1.00 0.00 C ATOM 224 CG LYS A 146 0.306 -0.360 5.431 1.00 0.00 C ATOM 225 CD LYS A 146 0.381 -0.159 3.927 1.00 0.00 C ATOM 226 CE LYS A 146 0.983 1.192 3.574 1.00 0.00 C ATOM 227 NZ LYS A 146 2.468 1.130 3.477 1.00 0.00 N ATOM 0 H LYS A 146 -1.292 -2.365 7.935 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.138 0.433 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.731 -2.132 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.666 -1.067 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.347 0.608 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.173 -0.929 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.981 -0.953 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.618 -0.236 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.571 1.536 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.699 1.925 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.840 2.071 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.863 0.826 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.740 0.450 2.739 1.00 0.00 H new ATOM 241 N SER A 147 -3.308 0.736 5.792 1.00 0.00 N ATOM 242 CA SER A 147 -4.653 1.137 5.396 1.00 0.00 C ATOM 243 C SER A 147 -4.673 1.608 3.945 1.00 0.00 C ATOM 244 O SER A 147 -3.798 2.358 3.512 1.00 0.00 O ATOM 245 CB SER A 147 -5.168 2.248 6.312 1.00 0.00 C ATOM 246 OG SER A 147 -4.671 3.512 5.910 1.00 0.00 O ATOM 0 H SER A 147 -2.560 1.200 5.276 1.00 0.00 H new ATOM 0 HA SER A 147 -5.306 0.269 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.258 2.261 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.866 2.045 7.340 1.00 0.00 H new ATOM 0 HG SER A 147 -5.016 4.205 6.510 1.00 0.00 H new ATOM 252 N PHE A 148 -5.678 1.163 3.199 1.00 0.00 N ATOM 253 CA PHE A 148 -5.813 1.538 1.796 1.00 0.00 C ATOM 254 C PHE A 148 -7.213 2.075 1.509 1.00 0.00 C ATOM 255 O PHE A 148 -8.135 1.891 2.303 1.00 0.00 O ATOM 256 CB PHE A 148 -5.521 0.337 0.894 1.00 0.00 C ATOM 257 CG PHE A 148 -4.116 -0.179 1.021 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.760 -1.006 2.074 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.152 0.162 0.086 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.468 -1.483 2.193 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.859 -0.312 0.200 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.516 -1.135 1.255 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.542 3.542 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.090 2.326 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.218 -0.466 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.704 0.618 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.500 -1.281 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.414 0.805 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.203 -2.127 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.117 -0.039 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.506 -1.505 1.346 1.00 0.00 H new ATOM 272 N SER A 149 -7.362 2.740 0.368 1.00 0.00 N ATOM 273 CA SER A 149 -8.647 3.308 -0.023 1.00 0.00 C ATOM 274 C SER A 149 -9.236 2.552 -1.210 1.00 0.00 C ATOM 275 O SER A 149 -10.081 3.076 -1.935 1.00 0.00 O ATOM 276 CB SER A 149 -8.488 4.789 -0.375 1.00 0.00 C ATOM 277 OG SER A 149 -8.130 4.954 -1.736 1.00 0.00 O ATOM 0 H SER A 149 -6.609 2.899 -0.302 1.00 0.00 H new ATOM 0 HA SER A 149 -9.330 3.214 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.421 5.316 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.726 5.238 0.262 1.00 0.00 H new ATOM 0 HG SER A 149 -8.036 5.909 -1.936 1.00 0.00 H new ATOM 283 N GLN A 150 -8.784 1.317 -1.401 1.00 0.00 N ATOM 284 CA GLN A 150 -9.265 0.489 -2.500 1.00 0.00 C ATOM 285 C GLN A 150 -9.218 -0.990 -2.129 1.00 0.00 C ATOM 286 O GLN A 150 -8.178 -1.502 -1.713 1.00 0.00 O ATOM 287 CB GLN A 150 -8.431 0.738 -3.758 1.00 0.00 C ATOM 288 CG GLN A 150 -8.627 2.123 -4.354 1.00 0.00 C ATOM 289 CD GLN A 150 -10.007 2.310 -4.952 1.00 0.00 C ATOM 290 OE1 GLN A 150 -11.011 2.312 -4.239 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.065 2.470 -6.269 1.00 0.00 N ATOM 0 H GLN A 150 -8.085 0.868 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.301 0.762 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.377 0.601 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.687 -0.011 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.466 2.874 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.875 2.293 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.208 2.462 -6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -10.967 2.601 -6.728 1.00 0.00 H new ATOM 300 N ARG A 151 -10.350 -1.669 -2.281 1.00 0.00 N ATOM 301 CA ARG A 151 -10.437 -3.089 -1.960 1.00 0.00 C ATOM 302 C ARG A 151 -9.343 -3.876 -2.674 1.00 0.00 C ATOM 303 O ARG A 151 -8.780 -4.820 -2.119 1.00 0.00 O ATOM 304 CB ARG A 151 -11.812 -3.637 -2.348 1.00 0.00 C ATOM 305 CG ARG A 151 -12.002 -5.105 -2.000 1.00 0.00 C ATOM 306 CD ARG A 151 -13.102 -5.294 -0.968 1.00 0.00 C ATOM 307 NE ARG A 151 -14.433 -5.192 -1.560 1.00 0.00 N ATOM 308 CZ ARG A 151 -15.544 -5.578 -0.943 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.484 -6.089 0.279 1.00 0.00 N ATOM 310 NH2 ARG A 151 -16.718 -5.454 -1.548 1.00 0.00 N ATOM 0 H ARG A 151 -11.219 -1.260 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.298 -3.203 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.582 -3.051 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.957 -3.504 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.248 -5.665 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.067 -5.513 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.990 -6.269 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -12.996 -4.544 -0.184 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.514 -4.803 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.583 -6.186 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.339 -6.385 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -16.768 -5.062 -2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -17.570 -5.751 -1.073 1.00 0.00 H new ATOM 324 N GLY A 152 -9.047 -3.482 -3.908 1.00 0.00 N ATOM 325 CA GLY A 152 -8.021 -4.162 -4.678 1.00 0.00 C ATOM 326 C GLY A 152 -6.622 -3.834 -4.198 1.00 0.00 C ATOM 327 O GLY A 152 -5.756 -4.707 -4.142 1.00 0.00 O ATOM 0 H GLY A 152 -9.499 -2.704 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.179 -5.239 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.116 -3.885 -5.728 1.00 0.00 H new ATOM 331 N SER A 153 -6.398 -2.570 -3.851 1.00 0.00 N ATOM 332 CA SER A 153 -5.092 -2.127 -3.378 1.00 0.00 C ATOM 333 C SER A 153 -4.679 -2.893 -2.125 1.00 0.00 C ATOM 334 O SER A 153 -3.576 -3.436 -2.050 1.00 0.00 O ATOM 335 CB SER A 153 -5.114 -0.625 -3.088 1.00 0.00 C ATOM 336 OG SER A 153 -5.231 0.125 -4.284 1.00 0.00 O ATOM 0 H SER A 153 -7.104 -1.835 -3.889 1.00 0.00 H new ATOM 0 HA SER A 153 -4.362 -2.328 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.948 -0.392 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.202 -0.339 -2.564 1.00 0.00 H new ATOM 0 HG SER A 153 -5.972 -0.227 -4.820 1.00 0.00 H new ATOM 342 N LEU A 154 -5.573 -2.932 -1.143 1.00 0.00 N ATOM 343 CA LEU A 154 -5.303 -3.632 0.109 1.00 0.00 C ATOM 344 C LEU A 154 -4.884 -5.075 -0.153 1.00 0.00 C ATOM 345 O LEU A 154 -3.881 -5.547 0.381 1.00 0.00 O ATOM 346 CB LEU A 154 -6.540 -3.603 1.008 1.00 0.00 C ATOM 347 CG LEU A 154 -6.568 -4.627 2.144 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.433 -4.369 3.123 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.911 -4.593 2.860 1.00 0.00 C ATOM 0 H LEU A 154 -6.490 -2.488 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.482 -3.121 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.626 -2.607 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.421 -3.757 0.385 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.432 -5.620 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.469 -5.107 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.479 -4.445 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.537 -3.370 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.913 -5.328 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.077 -3.599 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.706 -4.828 2.153 1.00 0.00 H new ATOM 361 N ALA A 155 -5.658 -5.770 -0.980 1.00 0.00 N ATOM 362 CA ALA A 155 -5.365 -7.157 -1.317 1.00 0.00 C ATOM 363 C ALA A 155 -3.919 -7.317 -1.773 1.00 0.00 C ATOM 364 O ALA A 155 -3.200 -8.196 -1.297 1.00 0.00 O ATOM 365 CB ALA A 155 -6.318 -7.652 -2.394 1.00 0.00 C ATOM 0 H ALA A 155 -6.493 -5.395 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.505 -7.760 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.087 -8.690 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.344 -7.583 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.207 -7.038 -3.288 1.00 0.00 H new ATOM 371 N VAL A 156 -3.498 -6.463 -2.701 1.00 0.00 N ATOM 372 CA VAL A 156 -2.137 -6.510 -3.222 1.00 0.00 C ATOM 373 C VAL A 156 -1.114 -6.413 -2.096 1.00 0.00 C ATOM 374 O VAL A 156 -0.003 -6.934 -2.205 1.00 0.00 O ATOM 375 CB VAL A 156 -1.883 -5.375 -4.231 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.514 -5.530 -4.877 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.978 -5.345 -5.286 1.00 0.00 C ATOM 0 H VAL A 156 -4.080 -5.730 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.025 -7.468 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.900 -4.426 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.353 -4.719 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.257 -5.497 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.465 -6.485 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.782 -4.537 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.995 -6.295 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.942 -5.181 -4.805 1.00 0.00 H new ATOM 387 N HIS A 157 -1.495 -5.742 -1.014 1.00 0.00 N ATOM 388 CA HIS A 157 -0.610 -5.577 0.134 1.00 0.00 C ATOM 389 C HIS A 157 -0.801 -6.712 1.135 1.00 0.00 C ATOM 390 O HIS A 157 0.041 -6.934 2.004 1.00 0.00 O ATOM 391 CB HIS A 157 -0.869 -4.232 0.815 1.00 0.00 C ATOM 392 CG HIS A 157 -0.165 -4.080 2.128 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.073 -3.486 2.253 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.532 -4.447 3.378 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.438 -3.495 3.523 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.481 -4.073 4.226 1.00 0.00 N ATOM 0 H HIS A 157 -2.410 -5.304 -0.908 1.00 0.00 H new ATOM 0 HA HIS A 157 0.419 -5.602 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.554 -3.430 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.941 -4.114 0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.451 -4.942 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.361 -3.098 3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 157 0.493 -4.218 5.236 1.00 0.00 H new ATOM 404 N GLU A 158 -1.915 -7.427 1.007 1.00 0.00 N ATOM 405 CA GLU A 158 -2.216 -8.538 1.902 1.00 0.00 C ATOM 406 C GLU A 158 -1.694 -9.853 1.331 1.00 0.00 C ATOM 407 O GLU A 158 -1.630 -10.864 2.031 1.00 0.00 O ATOM 408 CB GLU A 158 -3.725 -8.636 2.140 1.00 0.00 C ATOM 409 CG GLU A 158 -4.328 -7.378 2.741 1.00 0.00 C ATOM 410 CD GLU A 158 -5.256 -7.675 3.903 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.334 -8.261 3.668 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.904 -7.322 5.048 1.00 0.00 O ATOM 0 H GLU A 158 -2.623 -7.257 0.293 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.717 -8.351 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.221 -8.850 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.926 -9.478 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.527 -6.721 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.878 -6.839 1.970 1.00 0.00 H new ATOM 419 N ARG A 159 -1.322 -9.832 0.055 1.00 0.00 N ATOM 420 CA ARG A 159 -0.807 -11.022 -0.611 1.00 0.00 C ATOM 421 C ARG A 159 0.717 -10.999 -0.665 1.00 0.00 C ATOM 422 O ARG A 159 1.371 -12.030 -0.503 1.00 0.00 O ATOM 423 CB ARG A 159 -1.376 -11.126 -2.027 1.00 0.00 C ATOM 424 CG ARG A 159 -1.023 -9.944 -2.914 1.00 0.00 C ATOM 425 CD ARG A 159 0.148 -10.265 -3.830 1.00 0.00 C ATOM 426 NE ARG A 159 -0.146 -11.383 -4.722 1.00 0.00 N ATOM 427 CZ ARG A 159 0.585 -11.682 -5.791 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.646 -10.950 -6.099 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.253 -12.715 -6.555 1.00 0.00 N ATOM 0 H ARG A 159 -1.368 -9.003 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.120 -11.893 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.007 -12.041 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.461 -11.214 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.890 -9.666 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.775 -9.083 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.397 -9.384 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.025 -10.503 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 159 -0.956 -11.966 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 159 1.904 -10.154 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.205 -11.182 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.564 -13.280 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.814 -12.944 -7.375 1.00 0.00 H new ATOM 443 N LEU A 160 1.278 -9.816 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.726 -9.658 -0.967 1.00 0.00 C ATOM 445 C LEU A 160 3.367 -9.848 0.404 1.00 0.00 C ATOM 446 O LEU A 160 4.584 -10.000 0.517 1.00 0.00 O ATOM 447 CB LEU A 160 3.080 -8.276 -1.521 1.00 0.00 C ATOM 448 CG LEU A 160 3.570 -7.249 -0.500 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.020 -5.975 -1.198 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.479 -6.945 0.517 1.00 0.00 C ATOM 0 H LEU A 160 0.752 -8.953 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 160 3.116 -10.423 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.851 -8.398 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.200 -7.871 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 160 4.425 -7.671 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.365 -5.256 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.833 -6.205 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.184 -5.550 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.846 -6.212 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.605 -6.544 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.204 -7.861 1.041 1.00 0.00 H new ATOM 462 N HIS A 161 2.540 -9.839 1.444 1.00 0.00 N ATOM 463 CA HIS A 161 3.025 -10.013 2.809 1.00 0.00 C ATOM 464 C HIS A 161 3.870 -11.278 2.927 1.00 0.00 C ATOM 465 O HIS A 161 4.943 -11.268 3.532 1.00 0.00 O ATOM 466 CB HIS A 161 1.851 -10.077 3.786 1.00 0.00 C ATOM 467 CG HIS A 161 1.696 -8.840 4.617 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.636 -8.430 5.539 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.703 -7.921 4.659 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.227 -7.313 6.113 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.057 -6.982 5.597 1.00 0.00 N ATOM 0 H HIS A 161 1.531 -9.713 1.368 1.00 0.00 H new ATOM 0 HA HIS A 161 3.649 -9.155 3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.931 -10.246 3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.984 -10.934 4.446 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.199 -7.925 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.759 -6.763 6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 161 0.506 -6.163 5.853 1.00 0.00 H new ATOM 479 N THR A 162 3.379 -12.369 2.347 1.00 0.00 N ATOM 480 CA THR A 162 4.087 -13.642 2.389 1.00 0.00 C ATOM 481 C THR A 162 5.351 -13.597 1.538 1.00 0.00 C ATOM 482 O THR A 162 5.395 -12.923 0.509 1.00 0.00 O ATOM 483 CB THR A 162 3.194 -14.798 1.900 1.00 0.00 C ATOM 484 OG1 THR A 162 3.955 -16.009 1.830 1.00 0.00 O ATOM 485 CG2 THR A 162 2.602 -14.485 0.534 1.00 0.00 C ATOM 0 H THR A 162 2.493 -12.396 1.842 1.00 0.00 H new ATOM 0 HA THR A 162 4.359 -13.818 3.430 1.00 0.00 H new ATOM 0 HB THR A 162 2.378 -14.923 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.380 -16.739 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 162 1.975 -15.316 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 162 1.999 -13.579 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.407 -14.335 -0.186 1.00 0.00 H new