USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 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 Single : A 62 THR OG1 : rot 180:sc= 0.445 USER MOD Single : A 65 GLN : amide:sc= -1.06! K(o=-1.1!,f=0) USER MOD Single : A 66 MET CE :methyl -107:sc= -0.637 (180deg=-1.93!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 153:sc= -0.466 (180deg=-0.955) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 1.19 USER MOD Single : A 95 SER OG : rot -38:sc= 0.872 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -1.14 (180deg=-1.52) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 94:sc= 0.444 USER MOD Single : A 107 ASN : amide:sc= 0.777 K(o=0.78,f=-0.14) USER MOD Single : A 108 THR OG1 : rot -61:sc= 1.1 USER MOD Single : A 109 SER OG : rot 72:sc= -0.394 USER MOD Single : A 110 CYS SG : rot -43:sc= 0.426! USER MOD Single : A 118 CYS SG : rot 180:sc= 0.0274 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.073 -1.886 -5.126 1.00 0.00 N ATOM 79 CA THR A 62 -12.372 -2.869 -4.087 1.00 0.00 C ATOM 80 C THR A 62 -11.135 -3.129 -3.226 1.00 0.00 C ATOM 81 O THR A 62 -10.008 -3.068 -3.717 1.00 0.00 O ATOM 82 CB THR A 62 -12.832 -4.180 -4.731 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.697 -4.975 -5.043 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.611 -3.875 -6.012 1.00 0.00 C ATOM 0 HA THR A 62 -13.167 -2.475 -3.453 1.00 0.00 H new ATOM 0 HB THR A 62 -13.476 -4.721 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.989 -5.815 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.938 -4.809 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.481 -3.264 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.969 -3.335 -6.708 1.00 0.00 H new ATOM 92 N PRO A 63 -11.321 -3.413 -1.959 1.00 0.00 N ATOM 93 CA PRO A 63 -10.188 -3.681 -1.024 1.00 0.00 C ATOM 94 C PRO A 63 -9.379 -4.906 -1.444 1.00 0.00 C ATOM 95 O PRO A 63 -8.160 -4.947 -1.272 1.00 0.00 O ATOM 96 CB PRO A 63 -10.865 -3.903 0.338 1.00 0.00 C ATOM 97 CG PRO A 63 -12.291 -4.225 0.031 1.00 0.00 C ATOM 98 CD PRO A 63 -12.624 -3.517 -1.281 1.00 0.00 C ATOM 0 HA PRO A 63 -9.471 -2.860 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.388 -4.717 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.790 -3.013 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.434 -5.302 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.947 -3.885 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.340 -4.087 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.064 -2.535 -1.106 1.00 0.00 H new ATOM 106 N GLU A 64 -10.063 -5.900 -2.001 1.00 0.00 N ATOM 107 CA GLU A 64 -9.393 -7.116 -2.448 1.00 0.00 C ATOM 108 C GLU A 64 -8.558 -6.833 -3.692 1.00 0.00 C ATOM 109 O GLU A 64 -7.439 -7.328 -3.827 1.00 0.00 O ATOM 110 CB GLU A 64 -10.427 -8.200 -2.759 1.00 0.00 C ATOM 111 CG GLU A 64 -9.711 -9.484 -3.180 1.00 0.00 C ATOM 112 CD GLU A 64 -10.681 -10.660 -3.141 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.195 -10.943 -2.072 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.895 -11.260 -4.181 1.00 0.00 O ATOM 0 H GLU A 64 -11.072 -5.889 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.736 -7.464 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.047 -8.388 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.093 -7.865 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.305 -9.371 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.869 -9.675 -2.515 1.00 0.00 H new ATOM 121 N GLN A 65 -9.111 -6.030 -4.596 1.00 0.00 N ATOM 122 CA GLN A 65 -8.409 -5.682 -5.825 1.00 0.00 C ATOM 123 C GLN A 65 -7.105 -4.957 -5.507 1.00 0.00 C ATOM 124 O GLN A 65 -6.040 -5.336 -5.995 1.00 0.00 O ATOM 125 CB GLN A 65 -9.293 -4.790 -6.699 1.00 0.00 C ATOM 126 CG GLN A 65 -8.511 -4.354 -7.940 1.00 0.00 C ATOM 127 CD GLN A 65 -9.459 -3.740 -8.964 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.073 -3.514 -10.111 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.684 -3.455 -8.618 1.00 0.00 N ATOM 0 H GLN A 65 -10.036 -5.611 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.179 -6.601 -6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.193 -5.330 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.616 -3.916 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.745 -3.630 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.997 -5.211 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.002 -3.643 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.324 -3.044 -9.298 1.00 0.00 H new ATOM 138 N MET A 66 -7.195 -3.915 -4.687 1.00 0.00 N ATOM 139 CA MET A 66 -6.010 -3.151 -4.313 1.00 0.00 C ATOM 140 C MET A 66 -5.037 -4.028 -3.532 1.00 0.00 C ATOM 141 O MET A 66 -3.822 -3.908 -3.682 1.00 0.00 O ATOM 142 CB MET A 66 -6.409 -1.938 -3.466 1.00 0.00 C ATOM 143 CG MET A 66 -7.159 -2.406 -2.221 1.00 0.00 C ATOM 144 SD MET A 66 -7.657 -0.967 -1.237 1.00 0.00 S ATOM 145 CE MET A 66 -8.798 -0.238 -2.438 1.00 0.00 C ATOM 0 H MET A 66 -8.066 -3.583 -4.273 1.00 0.00 H new ATOM 0 HA MET A 66 -5.520 -2.805 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.521 -1.375 -3.178 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.037 -1.265 -4.050 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.037 -2.984 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.524 -3.064 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.346 0.653 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.008 -0.962 -3.226 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.727 0.034 -1.938 1.00 0.00 H new ATOM 155 N ALA A 67 -5.581 -4.914 -2.702 1.00 0.00 N ATOM 156 CA ALA A 67 -4.748 -5.808 -1.907 1.00 0.00 C ATOM 157 C ALA A 67 -3.942 -6.728 -2.813 1.00 0.00 C ATOM 158 O ALA A 67 -2.810 -7.094 -2.498 1.00 0.00 O ATOM 159 CB ALA A 67 -5.626 -6.647 -0.974 1.00 0.00 C ATOM 0 H ALA A 67 -6.585 -5.031 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.060 -5.206 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.997 -7.313 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.183 -5.988 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.324 -7.239 -1.566 1.00 0.00 H new ATOM 165 N LYS A 68 -4.535 -7.097 -3.944 1.00 0.00 N ATOM 166 CA LYS A 68 -3.865 -7.973 -4.896 1.00 0.00 C ATOM 167 C LYS A 68 -2.778 -7.211 -5.652 1.00 0.00 C ATOM 168 O LYS A 68 -1.641 -7.671 -5.750 1.00 0.00 O ATOM 169 CB LYS A 68 -4.884 -8.534 -5.890 1.00 0.00 C ATOM 170 CG LYS A 68 -5.704 -9.636 -5.216 1.00 0.00 C ATOM 171 CD LYS A 68 -6.874 -10.029 -6.122 1.00 0.00 C ATOM 172 CE LYS A 68 -7.478 -11.346 -5.632 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.569 -11.766 -6.556 1.00 0.00 N ATOM 0 H LYS A 68 -5.472 -6.805 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.402 -8.793 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.542 -7.739 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.372 -8.932 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.075 -10.504 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.077 -9.289 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.631 -9.245 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.531 -10.134 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.709 -12.117 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.869 -11.226 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.980 -12.661 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.307 -11.033 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.183 -11.897 -7.513 1.00 0.00 H new ATOM 187 N GLU A 69 -3.139 -6.048 -6.186 1.00 0.00 N ATOM 188 CA GLU A 69 -2.189 -5.231 -6.936 1.00 0.00 C ATOM 189 C GLU A 69 -1.031 -4.793 -6.046 1.00 0.00 C ATOM 190 O GLU A 69 0.115 -4.726 -6.490 1.00 0.00 O ATOM 191 CB GLU A 69 -2.896 -3.998 -7.503 1.00 0.00 C ATOM 192 CG GLU A 69 -4.004 -4.439 -8.461 1.00 0.00 C ATOM 193 CD GLU A 69 -3.396 -5.099 -9.693 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.974 -4.377 -10.581 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.362 -6.318 -9.732 1.00 0.00 O ATOM 0 H GLU A 69 -4.076 -5.651 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.791 -5.832 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.317 -3.403 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.180 -3.364 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.674 -5.136 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.603 -3.578 -8.758 1.00 0.00 H new ATOM 202 N MET A 70 -1.333 -4.495 -4.788 1.00 0.00 N ATOM 203 CA MET A 70 -0.301 -4.066 -3.853 1.00 0.00 C ATOM 204 C MET A 70 0.634 -5.228 -3.528 1.00 0.00 C ATOM 205 O MET A 70 1.847 -5.140 -3.728 1.00 0.00 O ATOM 206 CB MET A 70 -0.944 -3.556 -2.559 1.00 0.00 C ATOM 207 CG MET A 70 -1.456 -2.125 -2.755 1.00 0.00 C ATOM 208 SD MET A 70 -1.817 -1.388 -1.140 1.00 0.00 S ATOM 209 CE MET A 70 -3.470 -2.095 -0.915 1.00 0.00 C ATOM 0 H MET A 70 -2.273 -4.542 -4.395 1.00 0.00 H new ATOM 0 HA MET A 70 0.272 -3.262 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.768 -4.209 -2.271 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.217 -3.583 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.710 -1.529 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.353 -2.130 -3.374 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.686 -2.184 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.210 -1.445 -1.382 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.510 -3.081 -1.377 1.00 0.00 H new ATOM 219 N SER A 71 0.061 -6.315 -3.025 1.00 0.00 N ATOM 220 CA SER A 71 0.846 -7.489 -2.668 1.00 0.00 C ATOM 221 C SER A 71 1.832 -7.850 -3.778 1.00 0.00 C ATOM 222 O SER A 71 3.030 -7.982 -3.532 1.00 0.00 O ATOM 223 CB SER A 71 -0.081 -8.673 -2.397 1.00 0.00 C ATOM 224 OG SER A 71 0.656 -9.884 -2.513 1.00 0.00 O ATOM 0 H SER A 71 -0.941 -6.407 -2.856 1.00 0.00 H new ATOM 0 HA SER A 71 1.414 -7.256 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.512 -8.591 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.910 -8.670 -3.104 1.00 0.00 H new ATOM 0 HG SER A 71 0.064 -10.645 -2.338 1.00 0.00 H new ATOM 230 N GLU A 72 1.326 -8.015 -4.998 1.00 0.00 N ATOM 231 CA GLU A 72 2.188 -8.366 -6.120 1.00 0.00 C ATOM 232 C GLU A 72 3.228 -7.276 -6.366 1.00 0.00 C ATOM 233 O GLU A 72 4.396 -7.571 -6.619 1.00 0.00 O ATOM 234 CB GLU A 72 1.357 -8.599 -7.386 1.00 0.00 C ATOM 235 CG GLU A 72 0.688 -7.295 -7.816 1.00 0.00 C ATOM 236 CD GLU A 72 -0.276 -7.558 -8.968 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.057 -8.488 -8.859 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.218 -6.826 -9.943 1.00 0.00 O ATOM 0 H GLU A 72 0.338 -7.913 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 72 2.709 -9.290 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.995 -8.972 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.601 -9.362 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.151 -6.858 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.444 -6.572 -8.122 1.00 0.00 H new ATOM 245 N PHE A 73 2.805 -6.015 -6.290 1.00 0.00 N ATOM 246 CA PHE A 73 3.729 -4.906 -6.506 1.00 0.00 C ATOM 247 C PHE A 73 5.003 -5.121 -5.692 1.00 0.00 C ATOM 248 O PHE A 73 6.110 -5.055 -6.227 1.00 0.00 O ATOM 249 CB PHE A 73 3.068 -3.576 -6.104 1.00 0.00 C ATOM 250 CG PHE A 73 2.766 -2.748 -7.335 1.00 0.00 C ATOM 251 CD1 PHE A 73 3.792 -2.425 -8.233 1.00 0.00 C ATOM 252 CD2 PHE A 73 1.460 -2.307 -7.580 1.00 0.00 C ATOM 253 CE1 PHE A 73 3.511 -1.664 -9.372 1.00 0.00 C ATOM 254 CE2 PHE A 73 1.179 -1.545 -8.718 1.00 0.00 C ATOM 255 CZ PHE A 73 2.205 -1.224 -9.617 1.00 0.00 C ATOM 0 H PHE A 73 1.845 -5.740 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 73 3.986 -4.865 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.148 -3.771 -5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.727 -3.021 -5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.800 -2.764 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.668 -2.556 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.303 -1.415 -10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.171 -1.204 -8.904 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.988 -0.638 -10.498 1.00 0.00 H new ATOM 265 N LEU A 74 4.838 -5.380 -4.398 1.00 0.00 N ATOM 266 CA LEU A 74 5.986 -5.605 -3.526 1.00 0.00 C ATOM 267 C LEU A 74 6.758 -6.844 -3.968 1.00 0.00 C ATOM 268 O LEU A 74 7.979 -6.805 -4.117 1.00 0.00 O ATOM 269 CB LEU A 74 5.525 -5.787 -2.077 1.00 0.00 C ATOM 270 CG LEU A 74 4.494 -4.713 -1.719 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.214 -4.758 -0.216 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.038 -3.331 -2.093 1.00 0.00 C ATOM 0 H LEU A 74 3.931 -5.439 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 74 6.638 -4.734 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.091 -6.778 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.380 -5.722 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 74 3.572 -4.900 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.480 -3.994 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.824 -5.740 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.138 -4.572 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.302 -2.569 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.961 -3.143 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.239 -3.297 -3.164 1.00 0.00 H new ATOM 284 N SER A 75 6.036 -7.941 -4.176 1.00 0.00 N ATOM 285 CA SER A 75 6.664 -9.187 -4.601 1.00 0.00 C ATOM 286 C SER A 75 7.483 -8.969 -5.869 1.00 0.00 C ATOM 287 O SER A 75 8.460 -9.677 -6.118 1.00 0.00 O ATOM 288 CB SER A 75 5.594 -10.248 -4.858 1.00 0.00 C ATOM 289 OG SER A 75 6.206 -11.532 -4.892 1.00 0.00 O ATOM 0 H SER A 75 5.024 -7.993 -4.058 1.00 0.00 H new ATOM 0 HA SER A 75 7.329 -9.527 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.836 -10.214 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.087 -10.049 -5.802 1.00 0.00 H new ATOM 0 HG SER A 75 5.523 -12.216 -5.055 1.00 0.00 H new ATOM 295 N ARG A 76 7.079 -7.988 -6.669 1.00 0.00 N ATOM 296 CA ARG A 76 7.783 -7.688 -7.911 1.00 0.00 C ATOM 297 C ARG A 76 9.038 -6.867 -7.630 1.00 0.00 C ATOM 298 O ARG A 76 10.109 -7.152 -8.165 1.00 0.00 O ATOM 299 CB ARG A 76 6.863 -6.914 -8.858 1.00 0.00 C ATOM 300 CG ARG A 76 5.848 -7.873 -9.481 1.00 0.00 C ATOM 301 CD ARG A 76 4.970 -7.111 -10.473 1.00 0.00 C ATOM 302 NE ARG A 76 4.155 -8.041 -11.246 1.00 0.00 N ATOM 303 CZ ARG A 76 4.641 -8.653 -12.321 1.00 0.00 C ATOM 304 NH1 ARG A 76 5.868 -8.421 -12.704 1.00 0.00 N ATOM 305 NH2 ARG A 76 3.893 -9.483 -12.994 1.00 0.00 N ATOM 0 H ARG A 76 6.274 -7.391 -6.482 1.00 0.00 H new ATOM 0 HA ARG A 76 8.076 -8.628 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.346 -6.123 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.451 -6.432 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.365 -8.688 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.231 -8.322 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.327 -6.412 -9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.595 -6.521 -11.143 1.00 0.00 H new ATOM 0 HE ARG A 76 3.194 -8.225 -10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.452 -7.771 -12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.242 -8.890 -13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.934 -9.663 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.267 -9.952 -13.819 1.00 0.00 H new ATOM 526 N TYR A 92 10.483 9.344 4.955 1.00 0.00 N ATOM 527 CA TYR A 92 9.390 9.777 4.090 1.00 0.00 C ATOM 528 C TYR A 92 8.044 9.443 4.723 1.00 0.00 C ATOM 529 O TYR A 92 7.670 8.275 4.830 1.00 0.00 O ATOM 530 CB TYR A 92 9.500 9.086 2.726 1.00 0.00 C ATOM 531 CG TYR A 92 10.403 9.888 1.819 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.916 11.036 1.183 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.727 9.484 1.615 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.751 11.778 0.343 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.563 10.227 0.774 1.00 0.00 C ATOM 536 CZ TYR A 92 12.076 11.375 0.137 1.00 0.00 C ATOM 537 OH TYR A 92 12.900 12.108 -0.692 1.00 0.00 O ATOM 0 HA TYR A 92 9.460 10.857 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.895 8.078 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.512 8.988 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.894 11.349 1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.104 8.599 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.374 12.663 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.585 9.915 0.616 1.00 0.00 H new ATOM 0 HH TYR A 92 13.832 11.844 -0.543 1.00 0.00 H new ATOM 547 N ASP A 93 7.315 10.476 5.135 1.00 0.00 N ATOM 548 CA ASP A 93 6.006 10.278 5.747 1.00 0.00 C ATOM 549 C ASP A 93 4.908 10.456 4.705 1.00 0.00 C ATOM 550 O ASP A 93 4.470 11.575 4.435 1.00 0.00 O ATOM 551 CB ASP A 93 5.804 11.285 6.882 1.00 0.00 C ATOM 552 CG ASP A 93 6.654 10.890 8.085 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.262 9.969 8.784 1.00 0.00 O ATOM 554 OD2 ASP A 93 7.682 11.513 8.290 1.00 0.00 O ATOM 0 H ASP A 93 7.606 11.451 5.057 1.00 0.00 H new ATOM 0 HA ASP A 93 5.956 9.266 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.077 12.285 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.752 11.321 7.165 1.00 0.00 H new ATOM 559 N LEU A 94 4.469 9.345 4.122 1.00 0.00 N ATOM 560 CA LEU A 94 3.420 9.387 3.108 1.00 0.00 C ATOM 561 C LEU A 94 2.067 9.041 3.722 1.00 0.00 C ATOM 562 O LEU A 94 1.124 8.688 3.014 1.00 0.00 O ATOM 563 CB LEU A 94 3.734 8.395 1.986 1.00 0.00 C ATOM 564 CG LEU A 94 5.214 8.483 1.608 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.517 7.467 0.501 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.532 9.893 1.104 1.00 0.00 C ATOM 0 H LEU A 94 4.820 8.411 4.332 1.00 0.00 H new ATOM 0 HA LEU A 94 3.379 10.397 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.492 7.382 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.114 8.610 1.115 1.00 0.00 H new ATOM 0 HG LEU A 94 5.826 8.265 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.571 7.528 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.291 6.462 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.904 7.688 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.587 9.954 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.921 10.113 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.315 10.617 1.889 1.00 0.00 H new ATOM 578 N SER A 95 1.980 9.139 5.045 1.00 0.00 N ATOM 579 CA SER A 95 0.741 8.828 5.746 1.00 0.00 C ATOM 580 C SER A 95 -0.377 9.772 5.311 1.00 0.00 C ATOM 581 O SER A 95 -1.498 9.695 5.814 1.00 0.00 O ATOM 582 CB SER A 95 0.951 8.948 7.256 1.00 0.00 C ATOM 583 OG SER A 95 -0.274 8.674 7.924 1.00 0.00 O ATOM 0 H SER A 95 2.748 9.430 5.649 1.00 0.00 H new ATOM 0 HA SER A 95 0.454 7.806 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.721 8.250 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.300 9.950 7.508 1.00 0.00 H new ATOM 0 HG SER A 95 -1.017 9.060 7.415 1.00 0.00 H new ATOM 589 N LYS A 96 -0.062 10.665 4.375 1.00 0.00 N ATOM 590 CA LYS A 96 -1.047 11.624 3.878 1.00 0.00 C ATOM 591 C LYS A 96 -1.336 11.383 2.400 1.00 0.00 C ATOM 592 O LYS A 96 -2.034 12.170 1.760 1.00 0.00 O ATOM 593 CB LYS A 96 -0.526 13.050 4.068 1.00 0.00 C ATOM 594 CG LYS A 96 0.058 13.198 5.474 1.00 0.00 C ATOM 595 CD LYS A 96 0.503 14.648 5.691 1.00 0.00 C ATOM 596 CE LYS A 96 1.040 14.811 7.114 1.00 0.00 C ATOM 597 NZ LYS A 96 1.040 16.256 7.480 1.00 0.00 N ATOM 0 H LYS A 96 0.861 10.745 3.948 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.970 11.492 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.236 13.272 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.334 13.766 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.686 12.919 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.905 12.523 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.273 14.915 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.336 15.325 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.424 14.247 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.050 14.407 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.405 16.369 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.646 16.782 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.070 16.627 7.430 1.00 0.00 H new ATOM 611 N TRP A 97 -0.795 10.295 1.861 1.00 0.00 N ATOM 612 CA TRP A 97 -1.004 9.967 0.453 1.00 0.00 C ATOM 613 C TRP A 97 -2.161 8.986 0.300 1.00 0.00 C ATOM 614 O TRP A 97 -2.720 8.511 1.288 1.00 0.00 O ATOM 615 CB TRP A 97 0.269 9.354 -0.135 1.00 0.00 C ATOM 616 CG TRP A 97 1.332 10.402 -0.227 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.762 11.165 0.805 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.105 10.815 -1.391 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.752 12.016 0.349 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.998 11.839 -0.997 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.119 10.405 -2.736 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.874 12.435 -1.905 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.999 11.003 -3.653 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.875 12.016 -3.237 1.00 0.00 C ATOM 0 H TRP A 97 -0.214 9.630 2.371 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.246 10.884 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.610 8.529 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.064 8.942 -1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.392 11.117 1.819 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.241 12.692 0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.449 9.625 -3.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.547 13.215 -1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.001 10.681 -4.684 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.550 12.472 -3.946 1.00 0.00 H new ATOM 635 N LYS A 98 -2.516 8.688 -0.949 1.00 0.00 N ATOM 636 CA LYS A 98 -3.612 7.763 -1.227 1.00 0.00 C ATOM 637 C LYS A 98 -3.118 6.597 -2.077 1.00 0.00 C ATOM 638 O LYS A 98 -2.047 6.663 -2.676 1.00 0.00 O ATOM 639 CB LYS A 98 -4.743 8.490 -1.964 1.00 0.00 C ATOM 640 CG LYS A 98 -5.111 9.782 -1.220 1.00 0.00 C ATOM 641 CD LYS A 98 -6.064 9.467 -0.054 1.00 0.00 C ATOM 642 CE LYS A 98 -7.517 9.630 -0.512 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.801 8.675 -1.620 1.00 0.00 N ATOM 0 H LYS A 98 -2.064 9.071 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.988 7.379 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.433 8.723 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.616 7.842 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.209 10.263 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.584 10.484 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.897 8.450 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.860 10.133 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.195 9.447 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.691 10.653 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.824 8.652 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.301 8.981 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.476 7.724 -1.351 1.00 0.00 H new ATOM 657 N TYR A 99 -3.907 5.528 -2.119 1.00 0.00 N ATOM 658 CA TYR A 99 -3.541 4.349 -2.895 1.00 0.00 C ATOM 659 C TYR A 99 -3.231 4.725 -4.343 1.00 0.00 C ATOM 660 O TYR A 99 -2.276 4.219 -4.933 1.00 0.00 O ATOM 661 CB TYR A 99 -4.684 3.329 -2.859 1.00 0.00 C ATOM 662 CG TYR A 99 -4.423 2.232 -3.867 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.272 1.443 -3.761 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.333 2.005 -4.908 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.029 0.428 -4.695 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.091 0.990 -5.842 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.938 0.201 -5.736 1.00 0.00 C ATOM 668 OH TYR A 99 -3.700 -0.798 -6.654 1.00 0.00 O ATOM 0 H TYR A 99 -4.798 5.454 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.646 3.911 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.773 2.903 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.631 3.822 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.571 1.617 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.222 2.613 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.140 -0.180 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.793 0.815 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.429 -0.821 -7.308 1.00 0.00 H new ATOM 678 N ALA A 100 -4.049 5.606 -4.911 1.00 0.00 N ATOM 679 CA ALA A 100 -3.856 6.034 -6.293 1.00 0.00 C ATOM 680 C ALA A 100 -2.588 6.871 -6.434 1.00 0.00 C ATOM 681 O ALA A 100 -1.849 6.739 -7.411 1.00 0.00 O ATOM 682 CB ALA A 100 -5.061 6.855 -6.757 1.00 0.00 C ATOM 0 H ALA A 100 -4.846 6.035 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.756 5.143 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.910 7.171 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.963 6.246 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.170 7.733 -6.121 1.00 0.00 H new ATOM 688 N GLU A 101 -2.344 7.733 -5.455 1.00 0.00 N ATOM 689 CA GLU A 101 -1.167 8.591 -5.481 1.00 0.00 C ATOM 690 C GLU A 101 0.107 7.763 -5.354 1.00 0.00 C ATOM 691 O GLU A 101 1.053 7.938 -6.120 1.00 0.00 O ATOM 692 CB GLU A 101 -1.236 9.604 -4.336 1.00 0.00 C ATOM 693 CG GLU A 101 -2.530 10.419 -4.445 1.00 0.00 C ATOM 694 CD GLU A 101 -2.354 11.547 -5.456 1.00 0.00 C ATOM 695 OE1 GLU A 101 -2.605 11.313 -6.626 1.00 0.00 O ATOM 696 OE2 GLU A 101 -1.972 12.631 -5.045 1.00 0.00 O ATOM 0 H GLU A 101 -2.942 7.856 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.147 9.119 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.200 9.087 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.372 10.268 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.352 9.772 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.793 10.831 -3.471 1.00 0.00 H new ATOM 703 N LEU A 102 0.121 6.861 -4.380 1.00 0.00 N ATOM 704 CA LEU A 102 1.283 6.010 -4.151 1.00 0.00 C ATOM 705 C LEU A 102 1.576 5.145 -5.377 1.00 0.00 C ATOM 706 O LEU A 102 2.632 5.273 -5.995 1.00 0.00 O ATOM 707 CB LEU A 102 1.037 5.116 -2.934 1.00 0.00 C ATOM 708 CG LEU A 102 0.892 5.978 -1.676 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.423 5.102 -0.511 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.242 6.619 -1.319 1.00 0.00 C ATOM 0 H LEU A 102 -0.655 6.700 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 102 2.147 6.649 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.136 4.522 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.864 4.416 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 102 0.161 6.764 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.319 5.714 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.539 4.653 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.155 4.315 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.129 7.230 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.979 5.837 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.577 7.245 -2.146 1.00 0.00 H new ATOM 722 N ARG A 103 0.639 4.265 -5.722 1.00 0.00 N ATOM 723 CA ARG A 103 0.821 3.389 -6.875 1.00 0.00 C ATOM 724 C ARG A 103 1.244 4.200 -8.098 1.00 0.00 C ATOM 725 O ARG A 103 2.104 3.778 -8.874 1.00 0.00 O ATOM 726 CB ARG A 103 -0.475 2.631 -7.174 1.00 0.00 C ATOM 727 CG ARG A 103 -1.517 3.590 -7.750 1.00 0.00 C ATOM 728 CD ARG A 103 -2.875 2.888 -7.817 1.00 0.00 C ATOM 729 NE ARG A 103 -3.764 3.593 -8.733 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.892 3.036 -9.160 1.00 0.00 C ATOM 731 NH1 ARG A 103 -5.222 1.839 -8.760 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.672 3.686 -9.981 1.00 0.00 N ATOM 0 H ARG A 103 -0.244 4.141 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 103 1.606 2.670 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.280 1.824 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.856 2.171 -6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.588 4.483 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.215 3.917 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.744 1.858 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.322 2.849 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.516 4.530 -9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.614 1.330 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.088 1.412 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.415 4.622 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.538 3.258 -10.308 1.00 0.00 H new ATOM 746 N ASP A 104 0.635 5.369 -8.264 1.00 0.00 N ATOM 747 CA ASP A 104 0.958 6.231 -9.394 1.00 0.00 C ATOM 748 C ASP A 104 2.412 6.682 -9.321 1.00 0.00 C ATOM 749 O ASP A 104 3.186 6.480 -10.258 1.00 0.00 O ATOM 750 CB ASP A 104 0.042 7.453 -9.394 1.00 0.00 C ATOM 751 CG ASP A 104 0.461 8.422 -10.495 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.253 8.097 -11.652 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.985 9.472 -10.164 1.00 0.00 O ATOM 0 H ASP A 104 -0.079 5.739 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 104 0.810 5.667 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.992 7.142 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.086 7.950 -8.425 1.00 0.00 H new ATOM 758 N THR A 105 2.778 7.297 -8.202 1.00 0.00 N ATOM 759 CA THR A 105 4.141 7.779 -8.013 1.00 0.00 C ATOM 760 C THR A 105 5.154 6.723 -8.441 1.00 0.00 C ATOM 761 O THR A 105 5.984 6.966 -9.317 1.00 0.00 O ATOM 762 CB THR A 105 4.366 8.145 -6.545 1.00 0.00 C ATOM 763 OG1 THR A 105 3.216 8.809 -6.043 1.00 0.00 O ATOM 764 CG2 THR A 105 5.581 9.068 -6.424 1.00 0.00 C ATOM 0 H THR A 105 2.153 7.473 -7.415 1.00 0.00 H new ATOM 0 HA THR A 105 4.280 8.664 -8.633 1.00 0.00 H new ATOM 0 HB THR A 105 4.544 7.237 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.624 8.157 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.738 9.327 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.465 8.559 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.406 9.977 -7.000 1.00 0.00 H new ATOM 772 N ILE A 106 5.090 5.552 -7.813 1.00 0.00 N ATOM 773 CA ILE A 106 6.020 4.478 -8.140 1.00 0.00 C ATOM 774 C ILE A 106 5.902 4.081 -9.606 1.00 0.00 C ATOM 775 O ILE A 106 6.878 3.657 -10.223 1.00 0.00 O ATOM 776 CB ILE A 106 5.757 3.264 -7.251 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.337 2.751 -7.482 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.910 3.665 -5.784 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.100 1.523 -6.605 1.00 0.00 C ATOM 0 H ILE A 106 4.413 5.325 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 106 7.032 4.841 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 106 6.472 2.479 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.612 3.529 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.196 2.496 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.722 2.799 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.922 4.030 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.195 4.452 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.088 1.152 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.818 0.745 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.225 1.795 -5.557 1.00 0.00 H new ATOM 791 N ASN A 107 4.703 4.217 -10.162 1.00 0.00 N ATOM 792 CA ASN A 107 4.482 3.861 -11.558 1.00 0.00 C ATOM 793 C ASN A 107 5.178 4.855 -12.489 1.00 0.00 C ATOM 794 O ASN A 107 5.515 4.520 -13.624 1.00 0.00 O ATOM 795 CB ASN A 107 2.980 3.839 -11.852 1.00 0.00 C ATOM 796 CG ASN A 107 2.454 2.406 -11.820 1.00 0.00 C ATOM 797 OD1 ASN A 107 2.823 1.589 -12.665 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.609 2.049 -10.890 1.00 0.00 N ATOM 0 H ASN A 107 3.878 4.567 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 107 4.903 2.871 -11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.450 4.445 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.787 4.282 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.254 1.093 -10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.304 2.726 -10.191 1.00 0.00 H new ATOM 805 N THR A 108 5.387 6.079 -12.005 1.00 0.00 N ATOM 806 CA THR A 108 6.041 7.107 -12.815 1.00 0.00 C ATOM 807 C THR A 108 7.107 7.845 -12.010 1.00 0.00 C ATOM 808 O THR A 108 7.240 9.065 -12.114 1.00 0.00 O ATOM 809 CB THR A 108 5.004 8.112 -13.329 1.00 0.00 C ATOM 810 OG1 THR A 108 5.673 9.215 -13.923 1.00 0.00 O ATOM 811 CG2 THR A 108 4.136 8.605 -12.168 1.00 0.00 C ATOM 0 H THR A 108 5.117 6.381 -11.069 1.00 0.00 H new ATOM 0 HA THR A 108 6.522 6.613 -13.659 1.00 0.00 H new ATOM 0 HB THR A 108 4.368 7.627 -14.069 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.228 9.662 -13.250 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.401 9.319 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.621 7.758 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.767 9.089 -11.422 1.00 0.00 H new ATOM 819 N SER A 109 7.870 7.100 -11.214 1.00 0.00 N ATOM 820 CA SER A 109 8.930 7.696 -10.400 1.00 0.00 C ATOM 821 C SER A 109 10.259 6.996 -10.661 1.00 0.00 C ATOM 822 O SER A 109 10.320 6.012 -11.398 1.00 0.00 O ATOM 823 CB SER A 109 8.580 7.587 -8.917 1.00 0.00 C ATOM 824 OG SER A 109 9.735 7.873 -8.139 1.00 0.00 O ATOM 0 H SER A 109 7.777 6.089 -11.114 1.00 0.00 H new ATOM 0 HA SER A 109 9.022 8.747 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.779 8.283 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.214 6.586 -8.691 1.00 0.00 H new ATOM 0 HG SER A 109 9.934 8.831 -8.189 1.00 0.00 H new ATOM 830 N CYS A 110 11.325 7.513 -10.055 1.00 0.00 N ATOM 831 CA CYS A 110 12.651 6.930 -10.233 1.00 0.00 C ATOM 832 C CYS A 110 13.516 7.174 -8.999 1.00 0.00 C ATOM 833 O CYS A 110 14.745 7.157 -9.080 1.00 0.00 O ATOM 834 CB CYS A 110 13.329 7.539 -11.461 1.00 0.00 C ATOM 835 SG CYS A 110 14.909 6.706 -11.754 1.00 0.00 S ATOM 0 H CYS A 110 11.297 8.327 -9.442 1.00 0.00 H new ATOM 0 HA CYS A 110 12.537 5.855 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.684 7.436 -12.334 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.491 8.606 -11.308 1.00 0.00 H new ATOM 0 HG CYS A 110 15.533 6.550 -10.624 1.00 0.00 H new ATOM 841 N ASP A 111 12.868 7.397 -7.860 1.00 0.00 N ATOM 842 CA ASP A 111 13.590 7.640 -6.612 1.00 0.00 C ATOM 843 C ASP A 111 13.568 6.387 -5.742 1.00 0.00 C ATOM 844 O ASP A 111 12.506 5.901 -5.365 1.00 0.00 O ATOM 845 CB ASP A 111 12.949 8.813 -5.860 1.00 0.00 C ATOM 846 CG ASP A 111 13.620 10.124 -6.259 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.310 10.626 -7.327 1.00 0.00 O ATOM 848 OD2 ASP A 111 14.435 10.607 -5.490 1.00 0.00 O ATOM 0 H ASP A 111 11.852 7.415 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 111 14.626 7.889 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.883 8.859 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.043 8.660 -4.785 1.00 0.00 H new ATOM 853 N ILE A 112 14.747 5.861 -5.437 1.00 0.00 N ATOM 854 CA ILE A 112 14.848 4.656 -4.620 1.00 0.00 C ATOM 855 C ILE A 112 14.159 4.850 -3.271 1.00 0.00 C ATOM 856 O ILE A 112 13.179 4.174 -2.962 1.00 0.00 O ATOM 857 CB ILE A 112 16.319 4.303 -4.398 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.033 4.171 -5.754 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.418 2.985 -3.623 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.857 2.755 -6.311 1.00 0.00 C ATOM 0 H ILE A 112 15.642 6.246 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 112 14.350 3.843 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 112 16.798 5.094 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.629 4.899 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.094 4.394 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.467 2.734 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.921 3.092 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.937 2.191 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.367 2.676 -7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.283 2.034 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.796 2.546 -6.446 1.00 0.00 H new ATOM 872 N GLU A 113 14.684 5.772 -2.472 1.00 0.00 N ATOM 873 CA GLU A 113 14.116 6.040 -1.156 1.00 0.00 C ATOM 874 C GLU A 113 12.598 6.186 -1.235 1.00 0.00 C ATOM 875 O GLU A 113 11.865 5.574 -0.458 1.00 0.00 O ATOM 876 CB GLU A 113 14.730 7.316 -0.569 1.00 0.00 C ATOM 877 CG GLU A 113 14.824 8.395 -1.651 1.00 0.00 C ATOM 878 CD GLU A 113 15.523 9.630 -1.093 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.613 9.484 -0.568 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.956 10.705 -1.200 1.00 0.00 O ATOM 0 H GLU A 113 15.496 6.342 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 113 14.348 5.195 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.122 7.674 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.721 7.102 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.374 8.013 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.826 8.658 -2.002 1.00 0.00 H new ATOM 887 N LEU A 114 12.131 6.999 -2.177 1.00 0.00 N ATOM 888 CA LEU A 114 10.698 7.217 -2.347 1.00 0.00 C ATOM 889 C LEU A 114 9.999 5.893 -2.648 1.00 0.00 C ATOM 890 O LEU A 114 9.118 5.458 -1.904 1.00 0.00 O ATOM 891 CB LEU A 114 10.469 8.218 -3.491 1.00 0.00 C ATOM 892 CG LEU A 114 8.980 8.592 -3.628 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.182 7.409 -4.191 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.405 9.002 -2.265 1.00 0.00 C ATOM 0 H LEU A 114 12.719 7.515 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 114 10.279 7.624 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.056 9.119 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.825 7.789 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 114 8.900 9.434 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.132 7.688 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.573 7.141 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.273 6.556 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.353 9.263 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.500 8.171 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.954 9.863 -1.883 1.00 0.00 H new ATOM 906 N LEU A 115 10.402 5.255 -3.742 1.00 0.00 N ATOM 907 CA LEU A 115 9.820 3.977 -4.136 1.00 0.00 C ATOM 908 C LEU A 115 9.655 3.076 -2.913 1.00 0.00 C ATOM 909 O LEU A 115 8.609 2.455 -2.722 1.00 0.00 O ATOM 910 CB LEU A 115 10.730 3.287 -5.168 1.00 0.00 C ATOM 911 CG LEU A 115 10.277 3.592 -6.608 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.115 2.675 -6.991 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.843 5.062 -6.742 1.00 0.00 C ATOM 0 H LEU A 115 11.127 5.601 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 115 8.841 4.156 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.758 3.621 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.720 2.210 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 115 11.117 3.415 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.799 2.895 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.436 1.635 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.281 2.840 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.527 5.256 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.014 5.260 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.681 5.713 -6.491 1.00 0.00 H new ATOM 925 N ALA A 116 10.696 3.015 -2.089 1.00 0.00 N ATOM 926 CA ALA A 116 10.661 2.189 -0.888 1.00 0.00 C ATOM 927 C ALA A 116 9.559 2.664 0.053 1.00 0.00 C ATOM 928 O ALA A 116 8.769 1.864 0.556 1.00 0.00 O ATOM 929 CB ALA A 116 12.010 2.254 -0.172 1.00 0.00 C ATOM 0 H ALA A 116 11.569 3.524 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 116 10.455 1.159 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.976 1.635 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.793 1.888 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.224 3.286 0.108 1.00 0.00 H new ATOM 935 N ALA A 117 9.512 3.971 0.287 1.00 0.00 N ATOM 936 CA ALA A 117 8.506 4.544 1.171 1.00 0.00 C ATOM 937 C ALA A 117 7.117 4.020 0.814 1.00 0.00 C ATOM 938 O ALA A 117 6.421 3.454 1.657 1.00 0.00 O ATOM 939 CB ALA A 117 8.526 6.070 1.061 1.00 0.00 C ATOM 0 H ALA A 117 10.155 4.649 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 117 8.737 4.251 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.771 6.493 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.510 6.443 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.311 6.364 0.034 1.00 0.00 H new ATOM 945 N CYS A 118 6.719 4.209 -0.440 1.00 0.00 N ATOM 946 CA CYS A 118 5.409 3.747 -0.893 1.00 0.00 C ATOM 947 C CYS A 118 5.239 2.253 -0.628 1.00 0.00 C ATOM 948 O CYS A 118 4.313 1.835 0.067 1.00 0.00 O ATOM 949 CB CYS A 118 5.248 4.017 -2.390 1.00 0.00 C ATOM 950 SG CYS A 118 5.467 5.784 -2.712 1.00 0.00 S ATOM 0 H CYS A 118 7.278 4.674 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 118 4.646 4.292 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.980 3.440 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.262 3.695 -2.724 1.00 0.00 H new ATOM 0 HG CYS A 118 5.332 6.013 -3.985 1.00 0.00 H new ATOM 956 N ARG A 119 6.137 1.451 -1.190 1.00 0.00 N ATOM 957 CA ARG A 119 6.070 0.005 -1.007 1.00 0.00 C ATOM 958 C ARG A 119 5.822 -0.340 0.459 1.00 0.00 C ATOM 959 O ARG A 119 5.021 -1.220 0.771 1.00 0.00 O ATOM 960 CB ARG A 119 7.377 -0.644 -1.479 1.00 0.00 C ATOM 961 CG ARG A 119 7.336 -0.864 -2.995 1.00 0.00 C ATOM 962 CD ARG A 119 8.511 -1.750 -3.412 1.00 0.00 C ATOM 963 NE ARG A 119 9.776 -1.083 -3.123 1.00 0.00 N ATOM 964 CZ ARG A 119 10.324 -0.241 -3.993 1.00 0.00 C ATOM 965 NH1 ARG A 119 9.727 0.008 -5.127 1.00 0.00 N ATOM 966 NH2 ARG A 119 11.460 0.339 -3.712 1.00 0.00 N ATOM 0 H ARG A 119 6.912 1.773 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 119 5.241 -0.380 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.223 -0.008 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.525 -1.596 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.394 -1.332 -3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.386 0.093 -3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.464 -2.701 -2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.446 -1.975 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 119 10.248 -1.266 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.839 -0.444 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.148 0.654 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.926 0.146 -2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.881 0.985 -4.379 1.00 0.00 H new ATOM 980 N GLU A 120 6.515 0.356 1.355 1.00 0.00 N ATOM 981 CA GLU A 120 6.355 0.107 2.782 1.00 0.00 C ATOM 982 C GLU A 120 4.924 0.400 3.222 1.00 0.00 C ATOM 983 O GLU A 120 4.297 -0.409 3.909 1.00 0.00 O ATOM 984 CB GLU A 120 7.329 0.976 3.580 1.00 0.00 C ATOM 985 CG GLU A 120 8.758 0.470 3.368 1.00 0.00 C ATOM 986 CD GLU A 120 8.967 -0.836 4.127 1.00 0.00 C ATOM 987 OE1 GLU A 120 9.200 -0.771 5.322 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.891 -1.880 3.500 1.00 0.00 O ATOM 0 H GLU A 120 7.185 1.089 1.121 1.00 0.00 H new ATOM 0 HA GLU A 120 6.571 -0.944 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.249 2.016 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.075 0.946 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.944 0.316 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.472 1.218 3.712 1.00 0.00 H new ATOM 995 N GLU A 121 4.408 1.560 2.820 1.00 0.00 N ATOM 996 CA GLU A 121 3.050 1.938 3.178 1.00 0.00 C ATOM 997 C GLU A 121 2.088 0.797 2.861 1.00 0.00 C ATOM 998 O GLU A 121 1.239 0.443 3.680 1.00 0.00 O ATOM 999 CB GLU A 121 2.635 3.194 2.407 1.00 0.00 C ATOM 1000 CG GLU A 121 3.270 4.430 3.046 1.00 0.00 C ATOM 1001 CD GLU A 121 2.614 4.727 4.389 1.00 0.00 C ATOM 1002 OE1 GLU A 121 3.046 4.160 5.379 1.00 0.00 O ATOM 1003 OE2 GLU A 121 1.689 5.523 4.411 1.00 0.00 O ATOM 0 H GLU A 121 4.907 2.245 2.252 1.00 0.00 H new ATOM 0 HA GLU A 121 3.014 2.147 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.946 3.112 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.549 3.290 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.339 4.268 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.160 5.288 2.382 1.00 0.00 H new ATOM 1010 N PHE A 122 2.229 0.223 1.670 1.00 0.00 N ATOM 1011 CA PHE A 122 1.366 -0.881 1.265 1.00 0.00 C ATOM 1012 C PHE A 122 1.525 -2.060 2.222 1.00 0.00 C ATOM 1013 O PHE A 122 0.556 -2.512 2.828 1.00 0.00 O ATOM 1014 CB PHE A 122 1.713 -1.343 -0.154 1.00 0.00 C ATOM 1015 CG PHE A 122 1.460 -0.242 -1.167 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.389 0.655 -1.012 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.302 -0.129 -2.278 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.171 1.656 -1.966 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.079 0.869 -3.232 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.015 1.762 -3.076 1.00 0.00 C ATOM 0 H PHE A 122 2.924 0.500 0.976 1.00 0.00 H new ATOM 0 HA PHE A 122 0.335 -0.527 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.759 -1.645 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.118 -2.220 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.266 0.572 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.127 -0.815 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.650 2.347 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.730 0.950 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.845 2.533 -3.812 1.00 0.00 H new ATOM 1030 N HIS A 123 2.751 -2.555 2.347 1.00 0.00 N ATOM 1031 CA HIS A 123 3.028 -3.685 3.227 1.00 0.00 C ATOM 1032 C HIS A 123 2.239 -3.570 4.526 1.00 0.00 C ATOM 1033 O HIS A 123 1.606 -4.527 4.966 1.00 0.00 O ATOM 1034 CB HIS A 123 4.525 -3.745 3.540 1.00 0.00 C ATOM 1035 CG HIS A 123 4.785 -4.817 4.563 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.547 -6.158 4.308 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.262 -4.759 5.850 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.879 -6.847 5.416 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.321 -6.042 6.385 1.00 0.00 N ATOM 0 H HIS A 123 3.567 -2.194 1.852 1.00 0.00 H new ATOM 0 HA HIS A 123 2.723 -4.598 2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.089 -3.952 2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.867 -2.780 3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.548 -3.855 6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.798 -7.920 5.510 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.635 -6.310 7.318 1.00 0.00 H new ATOM 1047 N ARG A 124 2.289 -2.393 5.139 1.00 0.00 N ATOM 1048 CA ARG A 124 1.580 -2.170 6.392 1.00 0.00 C ATOM 1049 C ARG A 124 0.072 -2.318 6.194 1.00 0.00 C ATOM 1050 O ARG A 124 -0.588 -3.069 6.912 1.00 0.00 O ATOM 1051 CB ARG A 124 1.903 -0.771 6.937 1.00 0.00 C ATOM 1052 CG ARG A 124 2.995 -0.872 8.009 1.00 0.00 C ATOM 1053 CD ARG A 124 3.615 0.509 8.252 1.00 0.00 C ATOM 1054 NE ARG A 124 4.856 0.643 7.498 1.00 0.00 N ATOM 1055 CZ ARG A 124 6.013 0.214 7.993 1.00 0.00 C ATOM 1056 NH1 ARG A 124 6.051 -0.346 9.172 1.00 0.00 N ATOM 1057 NH2 ARG A 124 7.111 0.350 7.302 1.00 0.00 N ATOM 0 H ARG A 124 2.808 -1.586 4.793 1.00 0.00 H new ATOM 0 HA ARG A 124 1.909 -2.920 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.235 -0.122 6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.006 -0.319 7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.572 -1.259 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.765 -1.575 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.914 1.288 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.810 0.646 9.316 1.00 0.00 H new ATOM 0 HE ARG A 124 4.836 1.074 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.193 -0.454 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.939 -0.675 9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.083 0.786 6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.998 0.020 7.683 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.468 -1.590 5.221 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.900 -1.644 4.944 1.00 0.00 C ATOM 1073 C ARG A 125 -2.337 -3.069 4.605 1.00 0.00 C ATOM 1074 O ARG A 125 -3.482 -3.448 4.850 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.239 -0.704 3.777 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.709 0.652 4.322 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.481 1.745 3.269 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.198 2.398 3.495 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.983 3.132 4.582 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.932 3.282 5.465 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.176 3.700 4.767 1.00 0.00 N ATOM 0 H ARG A 125 0.059 -0.961 4.616 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.436 -1.324 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.364 -0.568 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.018 -1.146 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.766 0.602 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.165 0.895 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.505 1.309 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.285 2.479 3.316 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.452 2.290 2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.838 2.836 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.768 3.845 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.918 3.581 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.341 4.263 5.601 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.425 -3.853 4.040 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.742 -5.230 3.675 1.00 0.00 C ATOM 1097 C LEU A 126 -1.884 -6.089 4.927 1.00 0.00 C ATOM 1098 O LEU A 126 -2.898 -6.760 5.119 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.642 -5.804 2.766 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.013 -5.626 1.282 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.308 -6.388 0.961 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.193 -4.136 0.964 1.00 0.00 C ATOM 0 H LEU A 126 -0.471 -3.563 3.826 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.688 -5.238 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.304 -5.304 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.498 -6.862 2.985 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.207 -6.029 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.558 -6.253 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.167 -7.449 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.119 -6.003 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.455 -4.017 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.989 -3.725 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.263 -3.605 1.168 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.865 -6.061 5.781 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.901 -6.843 7.011 1.00 0.00 C ATOM 1116 C LYS A 127 -2.130 -6.476 7.836 1.00 0.00 C ATOM 1117 O LYS A 127 -2.838 -7.350 8.337 1.00 0.00 O ATOM 1118 CB LYS A 127 0.366 -6.588 7.832 1.00 0.00 C ATOM 1119 CG LYS A 127 1.576 -7.195 7.114 1.00 0.00 C ATOM 1120 CD LYS A 127 1.525 -8.732 7.193 1.00 0.00 C ATOM 1121 CE LYS A 127 1.407 -9.323 5.783 1.00 0.00 C ATOM 1122 NZ LYS A 127 1.282 -10.804 5.873 1.00 0.00 N ATOM 0 H LYS A 127 -0.015 -5.513 5.647 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.953 -7.900 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.512 -5.517 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.262 -7.026 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.586 -6.877 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.498 -6.831 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 127 2.423 -9.110 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.676 -9.046 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.539 -8.905 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.283 -9.057 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.202 -11.204 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.123 -11.195 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.433 -11.048 6.422 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.381 -5.178 7.967 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.532 -4.706 8.727 1.00 0.00 C ATOM 1138 C VAL A 128 -4.825 -5.112 8.028 1.00 0.00 C ATOM 1139 O VAL A 128 -5.783 -5.544 8.670 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.481 -3.184 8.868 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.673 -2.707 9.698 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.180 -2.781 9.565 1.00 0.00 C ATOM 0 H VAL A 128 -1.808 -4.439 7.560 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.504 -5.159 9.718 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.522 -2.726 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.636 -1.622 9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.600 -2.994 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.634 -3.164 10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.142 -1.696 9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.140 -3.239 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.330 -3.120 8.973 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.838 -4.976 6.707 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.010 -5.336 5.919 1.00 0.00 C ATOM 1154 C TYR A 129 -6.314 -6.823 6.080 1.00 0.00 C ATOM 1155 O TYR A 129 -7.475 -7.227 6.159 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.757 -5.005 4.443 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.753 -5.728 3.565 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.121 -5.459 3.687 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.307 -6.666 2.624 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.042 -6.128 2.870 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.228 -7.334 1.808 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.595 -7.065 1.931 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.503 -7.722 1.126 1.00 0.00 O ATOM 0 H TYR A 129 -4.053 -4.620 6.161 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.869 -4.765 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.837 -3.929 4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.743 -5.293 4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.467 -4.736 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.252 -6.874 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.098 -5.921 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.883 -8.057 1.084 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.027 -8.337 0.530 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.260 -7.632 6.136 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.421 -9.071 6.292 1.00 0.00 C ATOM 1175 C HIS A 130 -5.815 -9.412 7.726 1.00 0.00 C ATOM 1176 O HIS A 130 -6.476 -10.420 7.978 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.113 -9.782 5.940 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.885 -9.708 4.454 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.802 -10.202 3.540 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.851 -9.198 3.710 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.307 -9.982 2.309 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.119 -9.374 2.355 1.00 0.00 N ATOM 0 H HIS A 130 -4.292 -7.317 6.076 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.211 -9.406 5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.281 -9.318 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.155 -10.823 6.261 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.691 -10.651 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.965 -8.731 4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.809 -10.263 1.395 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.404 -8.563 8.662 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.720 -8.780 10.069 1.00 0.00 C ATOM 1192 C ALA A 131 -7.180 -8.443 10.342 1.00 0.00 C ATOM 1193 O ALA A 131 -7.934 -9.268 10.857 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.819 -7.913 10.949 1.00 0.00 C ATOM 0 H ALA A 131 -4.855 -7.724 8.474 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.549 -9.830 10.304 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.063 -8.082 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.776 -8.176 10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.975 -6.862 10.705 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.572 -7.224 9.986 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.944 -6.788 10.190 1.00 0.00 C ATOM 1202 C TRP A 132 -9.901 -7.687 9.410 1.00 0.00 C ATOM 1203 O TRP A 132 -10.965 -8.054 9.907 1.00 0.00 O ATOM 1204 CB TRP A 132 -9.093 -5.330 9.738 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.526 -5.029 9.438 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.434 -4.581 10.335 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.227 -5.146 8.168 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.649 -4.415 9.694 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.572 -4.750 8.358 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.827 -5.554 6.884 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.491 -4.760 7.307 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.750 -5.563 5.823 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.078 -5.167 6.035 1.00 0.00 C ATOM 0 H TRP A 132 -6.962 -6.527 9.558 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.190 -6.858 11.250 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.728 -4.661 10.517 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.483 -5.151 8.853 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -11.242 -4.385 11.380 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.498 -4.085 10.153 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.806 -5.862 6.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.513 -4.456 7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.434 -5.877 4.839 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.782 -5.176 5.216 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.513 -8.042 8.189 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.342 -8.904 7.355 1.00 0.00 C ATOM 1226 C LYS A 133 -10.453 -10.293 7.978 1.00 0.00 C ATOM 1227 O LYS A 133 -11.522 -10.903 7.972 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.735 -9.012 5.952 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.665 -9.821 5.035 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.749 -8.907 4.448 1.00 0.00 C ATOM 1231 CE LYS A 133 -13.025 -9.717 4.203 1.00 0.00 C ATOM 1232 NZ LYS A 133 -13.924 -8.964 3.282 1.00 0.00 N ATOM 0 H LYS A 133 -8.636 -7.749 7.758 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.339 -8.469 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.579 -8.016 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.758 -9.492 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.089 -10.278 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.127 -10.633 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.954 -8.084 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.401 -8.466 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -12.776 -10.687 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.533 -9.909 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -14.791 -9.514 3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -14.172 -8.049 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.438 -8.803 2.377 1.00 0.00 H new ATOM 1246 N SER A 134 -9.341 -10.786 8.513 1.00 0.00 N ATOM 1247 CA SER A 134 -9.325 -12.105 9.136 1.00 0.00 C ATOM 1248 C SER A 134 -10.172 -12.105 10.403 1.00 0.00 C ATOM 1249 O SER A 134 -10.710 -13.138 10.804 1.00 0.00 O ATOM 1250 CB SER A 134 -7.890 -12.495 9.488 1.00 0.00 C ATOM 1251 OG SER A 134 -7.889 -13.781 10.093 1.00 0.00 O ATOM 0 H SER A 134 -8.446 -10.297 8.528 1.00 0.00 H new ATOM 0 HA SER A 134 -9.739 -12.826 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.272 -12.502 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.457 -11.760 10.167 1.00 0.00 H new ATOM 0 HG SER A 134 -6.970 -14.036 10.319 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.278 -10.941 11.033 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.053 -10.809 12.260 1.00 0.00 C ATOM 1259 C LYS A 135 -12.485 -10.375 11.956 1.00 0.00 C ATOM 1260 O LYS A 135 -13.359 -10.445 12.819 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.387 -9.777 13.173 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.125 -10.384 13.791 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.339 -9.298 14.530 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.901 -9.771 14.753 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.908 -11.031 15.550 1.00 0.00 N ATOM 0 H LYS A 135 -9.838 -10.077 10.715 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.086 -11.779 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.133 -8.883 12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.078 -9.470 13.958 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.395 -11.184 14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.505 -10.829 13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.344 -8.374 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.813 -9.078 15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.409 -9.938 13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.331 -9.002 15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.960 -11.197 15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.596 -10.948 16.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.172 -11.828 14.937 1.00 0.00 H new