USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 44 HIS : no HE2:sc= -0.0562 K(o=-0.19,f=-1.9) USER MOD Set 1.2: A 93 MET CE :methyl -155:sc= -0.132 (180deg=-0.5) USER MOD Set 2.1: A 34 CYS SG : rot -27:sc= -0.119 USER MOD Set 2.2: A 69 MET CE :methyl -175:sc= 0 (180deg=-0.0882) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.21) USER MOD Single : A 21 SER OG : rot 7:sc= 0.206 USER MOD Single : A 22 CYS SG : rot 65:sc= 0.536 USER MOD Single : A 23 SER OG : rot 114:sc= 1.19 USER MOD Single : A 28 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.717 USER MOD Single : A 37 HIS : no HE2:sc= 0.325 K(o=0.33,f=-1.4) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -34:sc= 0.0508 USER MOD Single : A 63 SER OG : rot -67:sc= 1.53 USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 1.07 (180deg=0.0776) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0.792 (180deg=0.621) USER MOD Single : A 73 LYS NZ :NH3+ -134:sc= 2.36 (180deg=-0.0941) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.15) USER MOD Single : A 88 SER OG : rot -92:sc= 1.22 USER MOD Single : A 89 HIS : no HD1:sc= -0.029 X(o=-0.029,f=-0.0082) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.756 -0.551 0.740 1.00 0.00 N ATOM 127 CA PHE A 11 -10.803 0.530 1.025 1.00 0.00 C ATOM 128 C PHE A 11 -9.445 0.194 0.438 1.00 0.00 C ATOM 129 O PHE A 11 -8.400 0.353 1.067 1.00 0.00 O ATOM 130 CB PHE A 11 -10.717 0.811 2.526 1.00 0.00 C ATOM 131 CG PHE A 11 -12.055 1.176 3.122 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.748 2.257 2.556 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.614 0.464 4.195 1.00 0.00 C ATOM 134 CE1 PHE A 11 -13.969 2.678 3.099 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.858 0.863 4.722 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.528 1.980 4.186 1.00 0.00 C ATOM 0 HA PHE A 11 -11.161 1.444 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.324 -0.069 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.011 1.623 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.338 2.767 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.093 -0.385 4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.479 3.535 2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.299 0.311 5.539 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.469 2.300 4.608 1.00 0.00 H new ATOM 146 N VAL A 12 -9.463 -0.358 -0.768 1.00 0.00 N ATOM 147 CA VAL A 12 -8.220 -0.794 -1.387 1.00 0.00 C ATOM 148 C VAL A 12 -7.373 0.411 -1.756 1.00 0.00 C ATOM 149 O VAL A 12 -7.835 1.372 -2.372 1.00 0.00 O ATOM 150 CB VAL A 12 -8.414 -1.721 -2.590 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.052 -2.263 -3.043 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.273 -2.914 -2.195 1.00 0.00 C ATOM 0 H VAL A 12 -10.303 -0.512 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.698 -1.396 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.893 -1.155 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.190 -2.923 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.405 -1.432 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.592 -2.819 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.406 -3.568 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.783 -3.466 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.247 -2.564 -1.852 1.00 0.00 H new ATOM 162 N VAL A 13 -6.092 0.287 -1.450 1.00 0.00 N ATOM 163 CA VAL A 13 -5.027 0.998 -2.132 1.00 0.00 C ATOM 164 C VAL A 13 -4.112 0.022 -2.850 1.00 0.00 C ATOM 165 O VAL A 13 -4.043 -1.157 -2.517 1.00 0.00 O ATOM 166 CB VAL A 13 -4.203 1.851 -1.153 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.007 3.033 -0.619 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.603 1.069 0.019 1.00 0.00 C ATOM 0 H VAL A 13 -5.758 -0.324 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.492 1.663 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.366 2.214 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.390 3.611 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.316 3.667 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.889 2.666 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.039 1.748 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.404 0.608 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.939 0.294 -0.363 1.00 0.00 H new ATOM 178 N LYS A 14 -3.393 0.524 -3.841 1.00 0.00 N ATOM 179 CA LYS A 14 -2.545 -0.258 -4.746 1.00 0.00 C ATOM 180 C LYS A 14 -1.140 0.296 -4.666 1.00 0.00 C ATOM 181 O LYS A 14 -0.898 1.460 -4.978 1.00 0.00 O ATOM 182 CB LYS A 14 -3.160 -0.145 -6.143 1.00 0.00 C ATOM 183 CG LYS A 14 -2.256 -0.222 -7.382 1.00 0.00 C ATOM 184 CD LYS A 14 -3.097 0.077 -8.632 1.00 0.00 C ATOM 185 CE LYS A 14 -2.239 0.199 -9.892 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.812 -1.117 -10.426 1.00 0.00 N ATOM 0 H LYS A 14 -3.379 1.522 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.489 -1.314 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.906 -0.934 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.693 0.804 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.439 0.495 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.806 -1.212 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.832 -0.716 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.651 1.003 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.801 0.732 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.357 0.799 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.220 -0.974 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.266 -1.625 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.651 -1.676 -10.683 1.00 0.00 H new ATOM 200 N LEU A 15 -0.244 -0.543 -4.177 1.00 0.00 N ATOM 201 CA LEU A 15 1.137 -0.227 -3.891 1.00 0.00 C ATOM 202 C LEU A 15 1.928 -0.638 -5.112 1.00 0.00 C ATOM 203 O LEU A 15 1.886 -1.786 -5.553 1.00 0.00 O ATOM 204 CB LEU A 15 1.646 -0.963 -2.637 1.00 0.00 C ATOM 205 CG LEU A 15 1.035 -0.568 -1.287 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.138 0.913 -0.986 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.450 -0.806 -1.244 1.00 0.00 C ATOM 0 H LEU A 15 -0.476 -1.512 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 15 1.249 0.837 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.479 -2.030 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.724 -0.815 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 15 1.599 -1.177 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.686 1.119 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.187 1.208 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.615 1.478 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.838 -0.511 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.936 -0.216 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.654 -1.864 -1.411 1.00 0.00 H new ATOM 219 N ARG A 16 2.642 0.335 -5.645 1.00 0.00 N ATOM 220 CA ARG A 16 3.447 0.166 -6.868 1.00 0.00 C ATOM 221 C ARG A 16 4.828 0.793 -6.783 1.00 0.00 C ATOM 222 O ARG A 16 4.974 1.995 -6.607 1.00 0.00 O ATOM 223 CB ARG A 16 2.645 0.649 -8.088 1.00 0.00 C ATOM 224 CG ARG A 16 3.407 0.458 -9.417 1.00 0.00 C ATOM 225 CD ARG A 16 4.040 1.761 -9.907 1.00 0.00 C ATOM 226 NE ARG A 16 4.602 1.619 -11.265 1.00 0.00 N ATOM 227 CZ ARG A 16 4.604 2.532 -12.223 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.068 3.714 -12.085 1.00 0.00 N ATOM 229 NH2 ARG A 16 5.161 2.268 -13.371 1.00 0.00 N ATOM 0 H ARG A 16 2.689 1.274 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 16 3.648 -0.899 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.701 0.107 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.401 1.704 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.184 -0.295 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.723 0.080 -10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.291 2.553 -9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.827 2.065 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 16 5.034 0.723 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.620 3.971 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.098 4.381 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.595 1.359 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.163 2.971 -14.110 1.00 0.00 H new ATOM 243 N GLY A 17 5.842 -0.042 -6.967 1.00 0.00 N ATOM 244 CA GLY A 17 7.244 0.348 -7.070 1.00 0.00 C ATOM 245 C GLY A 17 8.191 -0.519 -6.215 1.00 0.00 C ATOM 246 O GLY A 17 9.389 -0.592 -6.500 1.00 0.00 O ATOM 0 H GLY A 17 5.706 -1.049 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.553 0.288 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.346 1.390 -6.767 1.00 0.00 H new ATOM 250 N LEU A 18 7.631 -1.137 -5.163 1.00 0.00 N ATOM 251 CA LEU A 18 8.264 -1.899 -4.075 1.00 0.00 C ATOM 252 C LEU A 18 9.408 -2.861 -4.461 1.00 0.00 C ATOM 253 O LEU A 18 9.471 -3.346 -5.596 1.00 0.00 O ATOM 254 CB LEU A 18 7.219 -2.696 -3.250 1.00 0.00 C ATOM 255 CG LEU A 18 5.878 -3.038 -3.914 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.321 -4.347 -3.369 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.838 -1.958 -3.646 1.00 0.00 C ATOM 0 H LEU A 18 6.619 -1.113 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 18 8.728 -1.106 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.684 -3.631 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.007 -2.128 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 18 6.072 -3.118 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.371 -4.568 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.027 -5.154 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.167 -4.257 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.899 -2.229 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.679 -1.864 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.190 -1.007 -4.045 1.00 0.00 H new ATOM 269 N PRO A 19 10.258 -3.235 -3.482 1.00 0.00 N ATOM 270 CA PRO A 19 11.197 -4.343 -3.624 1.00 0.00 C ATOM 271 C PRO A 19 10.482 -5.657 -3.958 1.00 0.00 C ATOM 272 O PRO A 19 9.401 -5.950 -3.445 1.00 0.00 O ATOM 273 CB PRO A 19 11.937 -4.453 -2.281 1.00 0.00 C ATOM 274 CG PRO A 19 11.660 -3.115 -1.598 1.00 0.00 C ATOM 275 CD PRO A 19 10.269 -2.770 -2.099 1.00 0.00 C ATOM 0 HA PRO A 19 11.885 -4.157 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.566 -5.289 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.005 -4.614 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.690 -3.200 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.392 -2.357 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.499 -3.265 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.079 -1.698 -2.038 1.00 0.00 H new ATOM 283 N TRP A 20 11.147 -6.504 -4.738 1.00 0.00 N ATOM 284 CA TRP A 20 10.766 -7.890 -5.056 1.00 0.00 C ATOM 285 C TRP A 20 10.961 -8.879 -3.873 1.00 0.00 C ATOM 286 O TRP A 20 11.222 -10.069 -4.065 1.00 0.00 O ATOM 287 CB TRP A 20 11.532 -8.284 -6.330 1.00 0.00 C ATOM 288 CG TRP A 20 12.966 -7.841 -6.373 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.958 -8.327 -5.597 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.561 -6.755 -7.152 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.128 -7.637 -5.853 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.940 -6.648 -6.796 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.071 -5.836 -8.106 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.792 -5.690 -7.365 1.00 0.00 C ATOM 295 CZ3 TRP A 20 13.918 -4.869 -8.685 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.275 -4.795 -8.320 1.00 0.00 C ATOM 0 H TRP A 20 12.018 -6.233 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 20 9.693 -7.950 -5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.500 -9.369 -6.434 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.012 -7.865 -7.192 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.853 -9.132 -4.885 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.020 -7.835 -5.400 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.032 -5.875 -8.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.831 -5.640 -7.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.522 -4.179 -9.415 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.918 -4.054 -8.771 1.00 0.00 H new ATOM 307 N SER A 21 10.886 -8.373 -2.637 1.00 0.00 N ATOM 308 CA SER A 21 11.057 -9.089 -1.357 1.00 0.00 C ATOM 309 C SER A 21 10.248 -8.410 -0.228 1.00 0.00 C ATOM 310 O SER A 21 10.652 -8.396 0.938 1.00 0.00 O ATOM 311 CB SER A 21 12.553 -9.160 -0.996 1.00 0.00 C ATOM 312 OG SER A 21 13.265 -9.990 -1.903 1.00 0.00 O ATOM 0 H SER A 21 10.691 -7.383 -2.489 1.00 0.00 H new ATOM 0 HA SER A 21 10.674 -10.103 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.980 -8.157 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.667 -9.544 0.018 1.00 0.00 H new ATOM 0 HG SER A 21 12.674 -10.251 -2.640 1.00 0.00 H new ATOM 318 N CYS A 22 9.124 -7.782 -0.585 1.00 0.00 N ATOM 319 CA CYS A 22 8.240 -7.028 0.309 1.00 0.00 C ATOM 320 C CYS A 22 7.164 -7.944 0.945 1.00 0.00 C ATOM 321 O CYS A 22 6.798 -8.982 0.385 1.00 0.00 O ATOM 322 CB CYS A 22 7.640 -5.896 -0.544 1.00 0.00 C ATOM 323 SG CYS A 22 6.668 -4.720 0.442 1.00 0.00 S ATOM 0 H CYS A 22 8.790 -7.785 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 22 8.782 -6.611 1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.444 -5.362 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.006 -6.327 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 22 7.451 -4.099 1.273 1.00 0.00 H new ATOM 329 N SER A 23 6.648 -7.560 2.117 1.00 0.00 N ATOM 330 CA SER A 23 5.622 -8.295 2.877 1.00 0.00 C ATOM 331 C SER A 23 4.756 -7.367 3.708 1.00 0.00 C ATOM 332 O SER A 23 5.069 -6.201 3.922 1.00 0.00 O ATOM 333 CB SER A 23 6.256 -9.340 3.809 1.00 0.00 C ATOM 334 OG SER A 23 7.098 -8.746 4.783 1.00 0.00 O ATOM 0 H SER A 23 6.941 -6.700 2.582 1.00 0.00 H new ATOM 0 HA SER A 23 4.998 -8.795 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.469 -9.905 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.833 -10.051 3.217 1.00 0.00 H new ATOM 0 HG SER A 23 6.709 -8.874 5.673 1.00 0.00 H new ATOM 340 N VAL A 24 3.633 -7.874 4.199 1.00 0.00 N ATOM 341 CA VAL A 24 2.712 -7.123 5.037 1.00 0.00 C ATOM 342 C VAL A 24 3.266 -6.521 6.330 1.00 0.00 C ATOM 343 O VAL A 24 2.680 -5.576 6.849 1.00 0.00 O ATOM 344 CB VAL A 24 1.401 -7.883 5.193 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.269 -9.315 4.665 1.00 0.00 C ATOM 346 CG2 VAL A 24 0.699 -7.748 6.515 1.00 0.00 C ATOM 0 H VAL A 24 3.333 -8.833 4.023 1.00 0.00 H new ATOM 0 HA VAL A 24 2.512 -6.203 4.488 1.00 0.00 H new ATOM 0 HB VAL A 24 0.872 -7.288 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.265 -9.687 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.448 -9.324 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.000 -9.954 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.220 -8.335 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.349 -8.111 7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.458 -6.700 6.693 1.00 0.00 H new ATOM 356 N GLU A 25 4.423 -6.930 6.835 1.00 0.00 N ATOM 357 CA GLU A 25 5.058 -6.166 7.914 1.00 0.00 C ATOM 358 C GLU A 25 5.581 -4.822 7.387 1.00 0.00 C ATOM 359 O GLU A 25 5.522 -3.807 8.071 1.00 0.00 O ATOM 360 CB GLU A 25 6.200 -6.991 8.507 1.00 0.00 C ATOM 361 CG GLU A 25 5.711 -8.269 9.208 1.00 0.00 C ATOM 362 CD GLU A 25 5.351 -9.432 8.253 1.00 0.00 C ATOM 363 OE1 GLU A 25 5.944 -9.543 7.150 1.00 0.00 O ATOM 364 OE2 GLU A 25 4.475 -10.254 8.616 1.00 0.00 O ATOM 0 H GLU A 25 4.932 -7.760 6.530 1.00 0.00 H new ATOM 0 HA GLU A 25 4.322 -5.958 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.897 -7.261 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.752 -6.379 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.485 -8.608 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.835 -8.025 9.809 1.00 0.00 H new ATOM 371 N ASP A 26 6.000 -4.802 6.126 1.00 0.00 N ATOM 372 CA ASP A 26 6.457 -3.655 5.346 1.00 0.00 C ATOM 373 C ASP A 26 5.320 -2.868 4.678 1.00 0.00 C ATOM 374 O ASP A 26 5.554 -1.737 4.269 1.00 0.00 O ATOM 375 CB ASP A 26 7.388 -4.209 4.259 1.00 0.00 C ATOM 376 CG ASP A 26 8.435 -3.202 3.760 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.130 -2.595 4.608 1.00 0.00 O ATOM 378 OD2 ASP A 26 8.608 -3.077 2.524 1.00 0.00 O ATOM 0 H ASP A 26 6.032 -5.660 5.576 1.00 0.00 H new ATOM 0 HA ASP A 26 6.951 -2.954 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.901 -5.088 4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.785 -4.540 3.413 1.00 0.00 H new ATOM 383 N VAL A 27 4.085 -3.398 4.602 1.00 0.00 N ATOM 384 CA VAL A 27 2.910 -2.627 4.146 1.00 0.00 C ATOM 385 C VAL A 27 2.517 -1.669 5.261 1.00 0.00 C ATOM 386 O VAL A 27 2.289 -0.479 5.074 1.00 0.00 O ATOM 387 CB VAL A 27 1.706 -3.519 3.739 1.00 0.00 C ATOM 388 CG1 VAL A 27 2.047 -4.594 2.716 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.670 -4.005 4.763 1.00 0.00 C ATOM 0 H VAL A 27 3.873 -4.364 4.852 1.00 0.00 H new ATOM 0 HA VAL A 27 3.187 -2.085 3.242 1.00 0.00 H new ATOM 0 HB VAL A 27 1.126 -2.719 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.153 -5.173 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.420 -4.125 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.812 -5.255 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.082 -4.613 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.167 -4.602 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.189 -3.146 5.229 1.00 0.00 H new ATOM 399 N GLN A 28 2.553 -2.238 6.457 1.00 0.00 N ATOM 400 CA GLN A 28 2.291 -1.672 7.761 1.00 0.00 C ATOM 401 C GLN A 28 3.430 -0.785 8.296 1.00 0.00 C ATOM 402 O GLN A 28 3.167 0.150 9.048 1.00 0.00 O ATOM 403 CB GLN A 28 2.093 -2.903 8.643 1.00 0.00 C ATOM 404 CG GLN A 28 0.657 -3.435 8.627 1.00 0.00 C ATOM 405 CD GLN A 28 0.517 -4.577 9.619 1.00 0.00 C ATOM 406 OE1 GLN A 28 -0.066 -4.466 10.691 1.00 0.00 O ATOM 407 NE2 GLN A 28 1.109 -5.700 9.298 1.00 0.00 N ATOM 0 H GLN A 28 2.796 -3.225 6.539 1.00 0.00 H new ATOM 0 HA GLN A 28 1.434 -0.999 7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.769 -3.691 8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.370 -2.656 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.039 -2.635 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.398 -3.778 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.592 -5.784 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.087 -6.490 9.942 1.00 0.00 H new ATOM 416 N ASN A 29 4.683 -1.033 7.897 1.00 0.00 N ATOM 417 CA ASN A 29 5.827 -0.155 8.182 1.00 0.00 C ATOM 418 C ASN A 29 5.980 0.943 7.111 1.00 0.00 C ATOM 419 O ASN A 29 6.407 2.049 7.444 1.00 0.00 O ATOM 420 CB ASN A 29 7.092 -1.028 8.302 1.00 0.00 C ATOM 421 CG ASN A 29 8.276 -0.372 9.004 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.822 -0.895 9.966 1.00 0.00 O ATOM 423 ND2 ASN A 29 8.725 0.776 8.558 1.00 0.00 N ATOM 0 H ASN A 29 4.936 -1.862 7.359 1.00 0.00 H new ATOM 0 HA ASN A 29 5.663 0.369 9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.833 -1.941 8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.404 -1.325 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.521 1.223 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.278 1.222 7.757 1.00 0.00 H new ATOM 430 N PHE A 30 5.597 0.701 5.847 1.00 0.00 N ATOM 431 CA PHE A 30 5.374 1.777 4.882 1.00 0.00 C ATOM 432 C PHE A 30 4.271 2.720 5.369 1.00 0.00 C ATOM 433 O PHE A 30 4.390 3.940 5.245 1.00 0.00 O ATOM 434 CB PHE A 30 5.088 1.195 3.488 1.00 0.00 C ATOM 435 CG PHE A 30 4.606 2.225 2.505 1.00 0.00 C ATOM 436 CD1 PHE A 30 5.375 3.377 2.311 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.370 2.082 1.850 1.00 0.00 C ATOM 438 CE1 PHE A 30 4.926 4.380 1.451 1.00 0.00 C ATOM 439 CE2 PHE A 30 2.902 3.119 1.021 1.00 0.00 C ATOM 440 CZ PHE A 30 3.697 4.257 0.788 1.00 0.00 C ATOM 0 H PHE A 30 5.436 -0.235 5.474 1.00 0.00 H new ATOM 0 HA PHE A 30 6.281 2.376 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.995 0.730 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.339 0.408 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.317 3.490 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.785 1.184 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.532 5.260 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.928 3.041 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.364 5.026 0.107 1.00 0.00 H new ATOM 450 N LEU A 31 3.238 2.158 5.999 1.00 0.00 N ATOM 451 CA LEU A 31 2.062 2.887 6.484 1.00 0.00 C ATOM 452 C LEU A 31 1.862 2.787 7.985 1.00 0.00 C ATOM 453 O LEU A 31 0.787 2.507 8.518 1.00 0.00 O ATOM 454 CB LEU A 31 0.858 2.536 5.658 1.00 0.00 C ATOM 455 CG LEU A 31 1.078 3.246 4.319 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.403 2.370 3.333 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.544 4.664 4.316 1.00 0.00 C ATOM 0 H LEU A 31 3.194 1.157 6.192 1.00 0.00 H new ATOM 0 HA LEU A 31 2.238 3.953 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.772 1.458 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.061 2.872 6.137 1.00 0.00 H new ATOM 0 HG LEU A 31 2.135 3.378 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.506 2.798 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.860 1.381 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.654 2.287 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.727 5.120 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.528 4.650 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.048 5.244 5.089 1.00 0.00 H new ATOM 469 N SER A 32 2.956 3.121 8.642 1.00 0.00 N ATOM 470 CA SER A 32 3.023 3.461 10.063 1.00 0.00 C ATOM 471 C SER A 32 2.082 4.624 10.448 1.00 0.00 C ATOM 472 O SER A 32 1.705 4.775 11.612 1.00 0.00 O ATOM 473 CB SER A 32 4.485 3.741 10.417 1.00 0.00 C ATOM 474 OG SER A 32 4.998 4.828 9.659 1.00 0.00 O ATOM 0 H SER A 32 3.867 3.167 8.185 1.00 0.00 H new ATOM 0 HA SER A 32 2.663 2.617 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.568 3.965 11.481 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.084 2.850 10.231 1.00 0.00 H new ATOM 0 HG SER A 32 5.933 4.987 9.906 1.00 0.00 H new ATOM 480 N ASP A 33 1.625 5.396 9.454 1.00 0.00 N ATOM 481 CA ASP A 33 0.546 6.392 9.508 1.00 0.00 C ATOM 482 C ASP A 33 -0.843 5.823 9.876 1.00 0.00 C ATOM 483 O ASP A 33 -1.712 6.575 10.324 1.00 0.00 O ATOM 484 CB ASP A 33 0.392 7.028 8.111 1.00 0.00 C ATOM 485 CG ASP A 33 1.677 7.627 7.534 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.533 6.850 7.053 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.800 8.875 7.508 1.00 0.00 O ATOM 0 H ASP A 33 2.030 5.336 8.520 1.00 0.00 H new ATOM 0 HA ASP A 33 0.839 7.094 10.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.019 6.271 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.365 7.810 8.165 1.00 0.00 H new ATOM 492 N CYS A 34 -1.097 4.534 9.608 1.00 0.00 N ATOM 493 CA CYS A 34 -2.387 4.112 9.047 1.00 0.00 C ATOM 494 C CYS A 34 -3.007 2.853 9.685 1.00 0.00 C ATOM 495 O CYS A 34 -2.303 1.980 10.199 1.00 0.00 O ATOM 496 CB CYS A 34 -2.151 3.885 7.542 1.00 0.00 C ATOM 497 SG CYS A 34 -3.524 4.570 6.605 1.00 0.00 S ATOM 0 H CYS A 34 -0.435 3.775 9.768 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.115 4.895 9.257 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.217 4.356 7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.053 2.819 7.336 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.596 4.565 7.340 1.00 0.00 H new ATOM 503 N THR A 35 -4.336 2.731 9.580 1.00 0.00 N ATOM 504 CA THR A 35 -5.114 1.536 9.951 1.00 0.00 C ATOM 505 C THR A 35 -5.414 0.710 8.703 1.00 0.00 C ATOM 506 O THR A 35 -6.037 1.187 7.754 1.00 0.00 O ATOM 507 CB THR A 35 -6.483 1.872 10.591 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.471 3.106 11.282 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.976 0.802 11.561 1.00 0.00 C ATOM 0 H THR A 35 -4.922 3.486 9.223 1.00 0.00 H new ATOM 0 HA THR A 35 -4.503 0.998 10.676 1.00 0.00 H new ATOM 0 HB THR A 35 -7.164 1.927 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.467 3.843 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.940 1.101 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.085 -0.145 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.256 0.685 12.371 1.00 0.00 H new ATOM 517 N ILE A 36 -5.041 -0.562 8.716 1.00 0.00 N ATOM 518 CA ILE A 36 -5.558 -1.569 7.778 1.00 0.00 C ATOM 519 C ILE A 36 -6.771 -2.240 8.452 1.00 0.00 C ATOM 520 O ILE A 36 -6.925 -2.209 9.671 1.00 0.00 O ATOM 521 CB ILE A 36 -4.463 -2.639 7.482 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.979 -2.194 7.514 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.724 -3.388 6.168 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.520 -1.079 6.564 1.00 0.00 C ATOM 0 H ILE A 36 -4.364 -0.935 9.382 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.843 -1.104 6.834 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.578 -3.290 8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.752 -1.875 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.367 -3.073 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.935 -4.122 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.687 -3.896 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.736 -2.678 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.457 -0.889 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.693 -1.386 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.084 -0.170 6.771 1.00 0.00 H new ATOM 536 N HIS A 37 -7.622 -2.897 7.672 1.00 0.00 N ATOM 537 CA HIS A 37 -8.893 -3.529 8.078 1.00 0.00 C ATOM 538 C HIS A 37 -8.787 -4.751 9.028 1.00 0.00 C ATOM 539 O HIS A 37 -9.778 -5.390 9.386 1.00 0.00 O ATOM 540 CB HIS A 37 -9.616 -3.770 6.746 1.00 0.00 C ATOM 541 CG HIS A 37 -10.603 -4.878 6.600 1.00 0.00 C ATOM 542 ND1 HIS A 37 -10.317 -6.148 6.170 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.964 -4.722 6.562 1.00 0.00 C ATOM 544 CE1 HIS A 37 -11.480 -6.737 5.877 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.522 -5.920 6.108 1.00 0.00 N ATOM 0 H HIS A 37 -7.441 -3.016 6.675 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.466 -2.882 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.134 -2.845 6.491 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.848 -3.924 5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.390 -6.565 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.509 -3.830 6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.571 -7.745 5.501 1.00 0.00 H new ATOM 553 N ASP A 38 -7.569 -5.026 9.489 1.00 0.00 N ATOM 554 CA ASP A 38 -7.170 -6.016 10.502 1.00 0.00 C ATOM 555 C ASP A 38 -5.690 -5.803 10.871 1.00 0.00 C ATOM 556 O ASP A 38 -5.322 -5.722 12.044 1.00 0.00 O ATOM 557 CB ASP A 38 -7.347 -7.427 9.919 1.00 0.00 C ATOM 558 CG ASP A 38 -6.544 -8.493 10.681 1.00 0.00 C ATOM 559 OD1 ASP A 38 -7.036 -9.015 11.709 1.00 0.00 O ATOM 560 OD2 ASP A 38 -5.411 -8.790 10.228 1.00 0.00 O ATOM 0 H ASP A 38 -6.758 -4.519 9.134 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.788 -5.901 11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.404 -7.693 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.038 -7.424 8.874 1.00 0.00 H new ATOM 565 N GLY A 39 -4.856 -5.707 9.831 1.00 0.00 N ATOM 566 CA GLY A 39 -3.398 -5.592 9.887 1.00 0.00 C ATOM 567 C GLY A 39 -2.731 -6.417 8.791 1.00 0.00 C ATOM 568 O GLY A 39 -1.894 -5.905 8.050 1.00 0.00 O ATOM 0 H GLY A 39 -5.202 -5.708 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.110 -4.546 9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.043 -5.925 10.862 1.00 0.00 H new ATOM 572 N ALA A 40 -3.201 -7.654 8.615 1.00 0.00 N ATOM 573 CA ALA A 40 -2.775 -8.558 7.547 1.00 0.00 C ATOM 574 C ALA A 40 -3.947 -9.220 6.806 1.00 0.00 C ATOM 575 O ALA A 40 -3.784 -9.641 5.658 1.00 0.00 O ATOM 576 CB ALA A 40 -1.849 -9.620 8.157 1.00 0.00 C ATOM 0 H ALA A 40 -3.906 -8.064 9.227 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.249 -7.970 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.519 -10.306 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.982 -9.133 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.388 -10.175 8.924 1.00 0.00 H new ATOM 582 N ALA A 41 -5.152 -9.222 7.381 1.00 0.00 N ATOM 583 CA ALA A 41 -6.376 -9.643 6.677 1.00 0.00 C ATOM 584 C ALA A 41 -6.957 -8.502 5.817 1.00 0.00 C ATOM 585 O ALA A 41 -8.150 -8.181 5.845 1.00 0.00 O ATOM 586 CB ALA A 41 -7.373 -10.257 7.655 1.00 0.00 C ATOM 0 H ALA A 41 -5.312 -8.933 8.346 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.124 -10.431 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.270 -10.562 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.924 -11.127 8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.638 -9.521 8.414 1.00 0.00 H new ATOM 592 N GLY A 42 -6.064 -7.853 5.077 1.00 0.00 N ATOM 593 CA GLY A 42 -6.367 -6.808 4.117 1.00 0.00 C ATOM 594 C GLY A 42 -5.227 -6.567 3.134 1.00 0.00 C ATOM 595 O GLY A 42 -5.218 -5.534 2.497 1.00 0.00 O ATOM 0 H GLY A 42 -5.066 -8.053 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.267 -7.077 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.584 -5.882 4.650 1.00 0.00 H new ATOM 599 N VAL A 43 -4.248 -7.462 2.994 1.00 0.00 N ATOM 600 CA VAL A 43 -3.065 -7.291 2.139 1.00 0.00 C ATOM 601 C VAL A 43 -2.953 -8.444 1.152 1.00 0.00 C ATOM 602 O VAL A 43 -3.218 -9.605 1.476 1.00 0.00 O ATOM 603 CB VAL A 43 -1.753 -7.149 2.953 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.872 -7.261 4.453 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.529 -7.783 2.289 1.00 0.00 C ATOM 0 H VAL A 43 -4.254 -8.355 3.487 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.202 -6.358 1.592 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.524 -6.085 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.887 -7.145 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.537 -6.481 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.278 -8.238 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.345 -7.638 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.703 -8.850 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.356 -7.313 1.321 1.00 0.00 H new ATOM 615 N HIS A 44 -2.467 -8.101 -0.038 1.00 0.00 N ATOM 616 CA HIS A 44 -2.148 -9.014 -1.112 1.00 0.00 C ATOM 617 C HIS A 44 -0.936 -8.515 -1.902 1.00 0.00 C ATOM 618 O HIS A 44 -0.673 -7.313 -1.968 1.00 0.00 O ATOM 619 CB HIS A 44 -3.375 -9.115 -2.040 1.00 0.00 C ATOM 620 CG HIS A 44 -4.715 -8.836 -1.399 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.209 -7.577 -1.148 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.609 -9.734 -0.879 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.360 -7.704 -0.478 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.654 -9.004 -0.288 1.00 0.00 N ATOM 0 H HIS A 44 -2.279 -7.129 -0.283 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.902 -9.993 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.238 -8.419 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.401 -10.117 -2.468 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.773 -6.698 -1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.526 -10.810 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.968 -6.879 -0.137 1.00 0.00 H new ATOM 632 N PHE A 45 -0.227 -9.439 -2.546 1.00 0.00 N ATOM 633 CA PHE A 45 1.022 -9.178 -3.260 1.00 0.00 C ATOM 634 C PHE A 45 0.976 -9.753 -4.674 1.00 0.00 C ATOM 635 O PHE A 45 0.367 -10.800 -4.910 1.00 0.00 O ATOM 636 CB PHE A 45 2.191 -9.761 -2.448 1.00 0.00 C ATOM 637 CG PHE A 45 2.665 -8.817 -1.364 1.00 0.00 C ATOM 638 CD1 PHE A 45 3.606 -7.825 -1.702 1.00 0.00 C ATOM 639 CD2 PHE A 45 2.140 -8.863 -0.055 1.00 0.00 C ATOM 640 CE1 PHE A 45 3.998 -6.870 -0.754 1.00 0.00 C ATOM 641 CE2 PHE A 45 2.551 -7.915 0.885 1.00 0.00 C ATOM 642 CZ PHE A 45 3.468 -6.910 0.543 1.00 0.00 C ATOM 0 H PHE A 45 -0.513 -10.417 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 45 1.165 -8.102 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.882 -10.704 -1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.020 -9.986 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.027 -7.800 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.426 -9.626 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.709 -6.103 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.157 -7.956 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.764 -6.172 1.274 1.00 0.00 H new ATOM 652 N ILE A 46 1.625 -9.063 -5.615 1.00 0.00 N ATOM 653 CA ILE A 46 1.618 -9.419 -7.041 1.00 0.00 C ATOM 654 C ILE A 46 2.968 -9.974 -7.464 1.00 0.00 C ATOM 655 O ILE A 46 4.043 -9.632 -6.965 1.00 0.00 O ATOM 656 CB ILE A 46 1.172 -8.233 -7.936 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.079 -7.502 -7.361 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.016 -8.678 -9.412 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.239 -7.293 -8.333 1.00 0.00 C ATOM 0 H ILE A 46 2.178 -8.231 -5.408 1.00 0.00 H new ATOM 0 HA ILE A 46 0.876 -10.205 -7.182 1.00 0.00 H new ATOM 0 HB ILE A 46 1.964 -7.484 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.446 -8.070 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.235 -6.528 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.703 -7.827 -10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.970 -9.054 -9.781 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.265 -9.466 -9.477 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.052 -6.776 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.902 -6.694 -9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.592 -8.260 -8.691 1.00 0.00 H new ATOM 671 N TYR A 47 2.838 -10.911 -8.388 1.00 0.00 N ATOM 672 CA TYR A 47 3.747 -11.990 -8.672 1.00 0.00 C ATOM 673 C TYR A 47 3.646 -12.259 -10.174 1.00 0.00 C ATOM 674 O TYR A 47 2.669 -12.845 -10.644 1.00 0.00 O ATOM 675 CB TYR A 47 3.290 -13.180 -7.817 1.00 0.00 C ATOM 676 CG TYR A 47 3.982 -13.294 -6.472 1.00 0.00 C ATOM 677 CD1 TYR A 47 5.267 -13.865 -6.387 1.00 0.00 C ATOM 678 CD2 TYR A 47 3.328 -12.856 -5.305 1.00 0.00 C ATOM 679 CE1 TYR A 47 5.889 -14.015 -5.133 1.00 0.00 C ATOM 680 CE2 TYR A 47 3.944 -13.009 -4.046 1.00 0.00 C ATOM 681 CZ TYR A 47 5.227 -13.595 -3.958 1.00 0.00 C ATOM 682 OH TYR A 47 5.834 -13.750 -2.750 1.00 0.00 O ATOM 0 H TYR A 47 2.026 -10.931 -9.004 1.00 0.00 H new ATOM 0 HA TYR A 47 4.789 -11.779 -8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.215 -13.101 -7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.460 -14.099 -8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.775 -14.188 -7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.351 -12.401 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.875 -14.452 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.437 -12.679 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 47 5.247 -13.410 -2.043 1.00 0.00 H new ATOM 793 N SER A 54 6.463 -8.616 -8.523 1.00 0.00 N ATOM 794 CA SER A 54 6.496 -7.652 -9.640 1.00 0.00 C ATOM 795 C SER A 54 6.786 -6.199 -9.210 1.00 0.00 C ATOM 796 O SER A 54 6.684 -5.275 -10.022 1.00 0.00 O ATOM 797 CB SER A 54 5.168 -7.748 -10.401 1.00 0.00 C ATOM 798 OG SER A 54 4.098 -7.341 -9.571 1.00 0.00 O ATOM 0 HA SER A 54 7.333 -7.922 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.205 -7.121 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.007 -8.772 -10.738 1.00 0.00 H new ATOM 0 HG SER A 54 4.283 -7.606 -8.646 1.00 0.00 H new ATOM 804 N GLY A 55 7.099 -5.978 -7.925 1.00 0.00 N ATOM 805 CA GLY A 55 7.013 -4.675 -7.251 1.00 0.00 C ATOM 806 C GLY A 55 5.636 -4.020 -7.394 1.00 0.00 C ATOM 807 O GLY A 55 5.530 -2.801 -7.523 1.00 0.00 O ATOM 0 H GLY A 55 7.428 -6.722 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.241 -4.803 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.771 -4.008 -7.662 1.00 0.00 H new ATOM 811 N GLU A 56 4.575 -4.825 -7.327 1.00 0.00 N ATOM 812 CA GLU A 56 3.212 -4.359 -7.086 1.00 0.00 C ATOM 813 C GLU A 56 2.494 -5.214 -6.034 1.00 0.00 C ATOM 814 O GLU A 56 2.835 -6.374 -5.790 1.00 0.00 O ATOM 815 CB GLU A 56 2.390 -4.295 -8.391 1.00 0.00 C ATOM 816 CG GLU A 56 2.304 -2.866 -8.949 1.00 0.00 C ATOM 817 CD GLU A 56 1.023 -2.633 -9.765 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.087 -2.818 -9.212 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.095 -2.185 -10.934 1.00 0.00 O ATOM 0 H GLU A 56 4.642 -5.836 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 56 3.294 -3.346 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.843 -4.949 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.385 -4.672 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.341 -2.154 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.173 -2.671 -9.578 1.00 0.00 H new ATOM 826 N ALA A 57 1.496 -4.605 -5.394 1.00 0.00 N ATOM 827 CA ALA A 57 0.697 -5.164 -4.313 1.00 0.00 C ATOM 828 C ALA A 57 -0.560 -4.307 -4.066 1.00 0.00 C ATOM 829 O ALA A 57 -0.696 -3.214 -4.609 1.00 0.00 O ATOM 830 CB ALA A 57 1.601 -5.231 -3.083 1.00 0.00 C ATOM 0 H ALA A 57 1.211 -3.655 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 57 0.335 -6.162 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.043 -5.646 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.460 -5.867 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.946 -4.228 -2.830 1.00 0.00 H new ATOM 836 N PHE A 58 -1.497 -4.799 -3.261 1.00 0.00 N ATOM 837 CA PHE A 58 -2.808 -4.170 -3.020 1.00 0.00 C ATOM 838 C PHE A 58 -3.227 -4.409 -1.559 1.00 0.00 C ATOM 839 O PHE A 58 -3.106 -5.522 -1.047 1.00 0.00 O ATOM 840 CB PHE A 58 -3.847 -4.789 -3.965 1.00 0.00 C ATOM 841 CG PHE A 58 -3.813 -4.287 -5.399 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.804 -4.733 -6.271 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.773 -3.375 -5.877 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.707 -4.218 -7.574 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.739 -2.940 -7.212 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.686 -3.334 -8.052 1.00 0.00 C ATOM 0 H PHE A 58 -1.370 -5.668 -2.741 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.743 -3.098 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.705 -5.870 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.840 -4.601 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.098 -5.478 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.541 -3.007 -5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.880 -4.502 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.523 -2.302 -7.592 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.629 -2.958 -9.063 1.00 0.00 H new ATOM 856 N VAL A 59 -3.761 -3.391 -0.888 1.00 0.00 N ATOM 857 CA VAL A 59 -4.066 -3.373 0.553 1.00 0.00 C ATOM 858 C VAL A 59 -5.449 -2.749 0.793 1.00 0.00 C ATOM 859 O VAL A 59 -5.629 -1.546 0.649 1.00 0.00 O ATOM 860 CB VAL A 59 -2.964 -2.635 1.345 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.320 -2.448 2.827 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.664 -3.451 1.329 1.00 0.00 C ATOM 0 H VAL A 59 -4.006 -2.514 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.090 -4.400 0.917 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.856 -1.664 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.509 -1.924 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.237 -1.864 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.467 -3.423 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.895 -2.921 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.840 -4.425 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.333 -3.588 0.300 1.00 0.00 H new ATOM 872 N GLU A 60 -6.432 -3.568 1.163 1.00 0.00 N ATOM 873 CA GLU A 60 -7.678 -3.169 1.835 1.00 0.00 C ATOM 874 C GLU A 60 -7.375 -2.473 3.177 1.00 0.00 C ATOM 875 O GLU A 60 -7.146 -3.132 4.196 1.00 0.00 O ATOM 876 CB GLU A 60 -8.534 -4.421 2.111 1.00 0.00 C ATOM 877 CG GLU A 60 -9.184 -5.041 0.872 1.00 0.00 C ATOM 878 CD GLU A 60 -10.544 -4.397 0.543 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.762 -3.199 0.833 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.436 -5.107 0.022 1.00 0.00 O ATOM 0 H GLU A 60 -6.384 -4.573 0.997 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.213 -2.476 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.908 -5.173 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.317 -4.159 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.515 -4.929 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.320 -6.111 1.032 1.00 0.00 H new ATOM 887 N LEU A 61 -7.357 -1.140 3.195 1.00 0.00 N ATOM 888 CA LEU A 61 -7.236 -0.367 4.441 1.00 0.00 C ATOM 889 C LEU A 61 -8.485 -0.480 5.336 1.00 0.00 C ATOM 890 O LEU A 61 -9.486 -1.095 4.978 1.00 0.00 O ATOM 891 CB LEU A 61 -6.855 1.100 4.171 1.00 0.00 C ATOM 892 CG LEU A 61 -5.388 1.257 3.795 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.004 2.420 2.935 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.436 1.227 4.982 1.00 0.00 C ATOM 0 H LEU A 61 -7.425 -0.565 2.355 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.416 -0.817 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.478 1.493 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.066 1.697 5.058 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.277 0.365 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.930 2.398 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.535 2.361 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.267 3.349 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.411 1.345 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.681 2.040 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.533 0.274 5.502 1.00 0.00 H new ATOM 906 N GLY A 62 -8.421 0.103 6.532 1.00 0.00 N ATOM 907 CA GLY A 62 -9.456 -0.024 7.558 1.00 0.00 C ATOM 908 C GLY A 62 -10.560 1.052 7.522 1.00 0.00 C ATOM 909 O GLY A 62 -11.580 0.905 8.199 1.00 0.00 O ATOM 0 H GLY A 62 -7.636 0.687 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.924 -1.003 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.978 0.003 8.537 1.00 0.00 H new ATOM 913 N SER A 63 -10.404 2.071 6.672 1.00 0.00 N ATOM 914 CA SER A 63 -11.417 3.055 6.248 1.00 0.00 C ATOM 915 C SER A 63 -10.924 3.799 4.995 1.00 0.00 C ATOM 916 O SER A 63 -9.762 3.648 4.616 1.00 0.00 O ATOM 917 CB SER A 63 -11.721 4.042 7.380 1.00 0.00 C ATOM 918 OG SER A 63 -10.659 4.952 7.585 1.00 0.00 O ATOM 0 H SER A 63 -9.503 2.247 6.227 1.00 0.00 H new ATOM 0 HA SER A 63 -12.341 2.529 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.632 4.593 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.910 3.491 8.301 1.00 0.00 H new ATOM 0 HG SER A 63 -9.876 4.470 7.924 1.00 0.00 H new ATOM 924 N GLU A 64 -11.735 4.633 4.334 1.00 0.00 N ATOM 925 CA GLU A 64 -11.206 5.478 3.246 1.00 0.00 C ATOM 926 C GLU A 64 -10.393 6.665 3.776 1.00 0.00 C ATOM 927 O GLU A 64 -9.492 7.121 3.085 1.00 0.00 O ATOM 928 CB GLU A 64 -12.290 5.939 2.257 1.00 0.00 C ATOM 929 CG GLU A 64 -11.935 5.554 0.803 1.00 0.00 C ATOM 930 CD GLU A 64 -12.137 6.727 -0.169 1.00 0.00 C ATOM 931 OE1 GLU A 64 -11.306 7.665 -0.200 1.00 0.00 O ATOM 932 OE2 GLU A 64 -13.109 6.699 -0.950 1.00 0.00 O ATOM 0 H GLU A 64 -12.731 4.744 4.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.526 4.838 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.246 5.491 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.412 7.020 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.898 5.221 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.553 4.713 0.489 1.00 0.00 H new ATOM 939 N ASP A 65 -10.610 7.141 5.004 1.00 0.00 N ATOM 940 CA ASP A 65 -9.663 8.055 5.647 1.00 0.00 C ATOM 941 C ASP A 65 -8.299 7.370 5.876 1.00 0.00 C ATOM 942 O ASP A 65 -7.272 8.034 5.761 1.00 0.00 O ATOM 943 CB ASP A 65 -10.271 8.587 6.954 1.00 0.00 C ATOM 944 CG ASP A 65 -11.128 9.862 6.789 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.468 10.262 5.646 1.00 0.00 O ATOM 946 OD2 ASP A 65 -11.467 10.478 7.829 1.00 0.00 O ATOM 0 H ASP A 65 -11.427 6.911 5.570 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.477 8.903 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.887 7.805 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.464 8.795 7.657 1.00 0.00 H new ATOM 951 N ASP A 66 -8.256 6.048 6.089 1.00 0.00 N ATOM 952 CA ASP A 66 -7.034 5.245 5.927 1.00 0.00 C ATOM 953 C ASP A 66 -6.519 5.272 4.495 1.00 0.00 C ATOM 954 O ASP A 66 -5.350 5.607 4.318 1.00 0.00 O ATOM 955 CB ASP A 66 -7.160 3.856 6.538 1.00 0.00 C ATOM 956 CG ASP A 66 -7.410 3.970 8.045 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.475 4.375 8.777 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.541 3.673 8.495 1.00 0.00 O ATOM 0 H ASP A 66 -9.068 5.503 6.379 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.248 5.721 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.979 3.314 6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.250 3.284 6.354 1.00 0.00 H new ATOM 963 N VAL A 67 -7.346 5.044 3.466 1.00 0.00 N ATOM 964 CA VAL A 67 -6.870 5.154 2.084 1.00 0.00 C ATOM 965 C VAL A 67 -6.185 6.492 1.823 1.00 0.00 C ATOM 966 O VAL A 67 -5.020 6.514 1.453 1.00 0.00 O ATOM 967 CB VAL A 67 -7.934 4.832 1.027 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.695 3.545 1.300 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.571 5.953 0.200 1.00 0.00 C ATOM 0 H VAL A 67 -8.329 4.787 3.562 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.118 4.372 1.975 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.339 4.579 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.430 3.383 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.997 2.708 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.204 3.620 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.298 5.527 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.072 6.656 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.797 6.475 -0.363 1.00 0.00 H new ATOM 979 N LYS A 68 -6.870 7.598 2.114 1.00 0.00 N ATOM 980 CA LYS A 68 -6.406 8.986 2.075 1.00 0.00 C ATOM 981 C LYS A 68 -5.153 9.270 2.912 1.00 0.00 C ATOM 982 O LYS A 68 -4.266 9.971 2.430 1.00 0.00 O ATOM 983 CB LYS A 68 -7.598 9.838 2.517 1.00 0.00 C ATOM 984 CG LYS A 68 -8.554 10.091 1.341 1.00 0.00 C ATOM 985 CD LYS A 68 -9.870 10.732 1.789 1.00 0.00 C ATOM 986 CE LYS A 68 -10.798 9.671 2.382 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.074 10.228 2.875 1.00 0.00 N ATOM 0 H LYS A 68 -7.845 7.542 2.408 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.079 9.228 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.131 9.335 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.243 10.789 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.067 10.739 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.765 9.147 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.672 11.507 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.354 11.217 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.007 8.915 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.287 9.167 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.854 9.589 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.033 10.326 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.235 11.161 2.445 1.00 0.00 H new ATOM 1001 N MET A 69 -5.021 8.705 4.113 1.00 0.00 N ATOM 1002 CA MET A 69 -3.770 8.758 4.887 1.00 0.00 C ATOM 1003 C MET A 69 -2.616 8.051 4.181 1.00 0.00 C ATOM 1004 O MET A 69 -1.494 8.552 4.145 1.00 0.00 O ATOM 1005 CB MET A 69 -3.972 8.158 6.282 1.00 0.00 C ATOM 1006 CG MET A 69 -4.573 9.234 7.174 1.00 0.00 C ATOM 1007 SD MET A 69 -4.567 8.891 8.953 1.00 0.00 S ATOM 1008 CE MET A 69 -5.569 7.383 8.951 1.00 0.00 C ATOM 0 H MET A 69 -5.773 8.198 4.580 1.00 0.00 H new ATOM 0 HA MET A 69 -3.503 9.811 4.979 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.632 7.292 6.232 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.022 7.812 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.031 10.164 7.002 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.603 9.403 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.752 7.067 9.978 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.520 7.579 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.038 6.594 8.418 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.910 6.915 3.567 1.00 0.00 N ATOM 1019 CA ALA A 70 -1.979 6.217 2.683 1.00 0.00 C ATOM 1020 C ALA A 70 -1.645 6.994 1.395 1.00 0.00 C ATOM 1021 O ALA A 70 -0.493 6.998 0.960 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.454 4.776 2.439 1.00 0.00 C ATOM 0 H ALA A 70 -3.809 6.444 3.667 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.019 6.159 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.751 4.268 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.508 4.245 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.440 4.792 1.976 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.597 7.744 0.832 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.366 8.653 -0.288 1.00 0.00 C ATOM 1030 C LEU A 71 -1.417 9.817 0.025 1.00 0.00 C ATOM 1031 O LEU A 71 -0.758 10.313 -0.888 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.671 9.227 -0.842 1.00 0.00 C ATOM 1033 CG LEU A 71 -4.731 8.213 -1.302 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -5.813 8.975 -2.028 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.254 7.059 -2.178 1.00 0.00 C ATOM 0 H LEU A 71 -3.566 7.734 1.150 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.883 8.024 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.117 9.861 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.428 9.872 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.075 7.722 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.582 8.281 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.257 9.707 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.382 9.488 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.100 6.420 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.813 7.455 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.508 6.476 -1.638 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.264 10.234 1.292 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.207 11.196 1.681 1.00 0.00 C ATOM 1049 C LYS A 72 1.200 10.746 1.244 1.00 0.00 C ATOM 1050 O LYS A 72 2.084 11.574 1.024 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.187 11.422 3.201 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.545 11.815 3.790 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.532 12.115 5.299 1.00 0.00 C ATOM 1054 CE LYS A 72 -0.965 11.015 6.221 1.00 0.00 C ATOM 1055 NZ LYS A 72 0.518 11.056 6.344 1.00 0.00 N ATOM 0 H LYS A 72 -1.853 9.925 2.065 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.455 12.123 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.159 10.511 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.538 12.203 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.913 12.695 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.254 11.009 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.954 13.025 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.554 12.328 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.408 11.117 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.264 10.039 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.875 10.103 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.932 11.385 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.785 11.708 7.109 1.00 0.00 H new ATOM 1069 N LYS A 73 1.380 9.427 1.113 1.00 0.00 N ATOM 1070 CA LYS A 73 2.602 8.717 0.706 1.00 0.00 C ATOM 1071 C LYS A 73 2.573 8.282 -0.770 1.00 0.00 C ATOM 1072 O LYS A 73 3.375 7.445 -1.164 1.00 0.00 O ATOM 1073 CB LYS A 73 2.801 7.485 1.624 1.00 0.00 C ATOM 1074 CG LYS A 73 2.721 7.711 3.145 1.00 0.00 C ATOM 1075 CD LYS A 73 3.883 8.473 3.802 1.00 0.00 C ATOM 1076 CE LYS A 73 5.055 7.595 4.287 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.705 6.704 5.421 1.00 0.00 N ATOM 0 H LYS A 73 0.618 8.776 1.303 1.00 0.00 H new ATOM 0 HA LYS A 73 3.439 9.408 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.052 6.741 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.776 7.052 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.799 8.251 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.639 6.737 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.267 9.202 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.494 9.033 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.410 6.987 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.881 8.240 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.449 6.757 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.799 7.005 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.622 5.725 5.080 1.00 0.00 H new ATOM 1091 N ASP A 74 1.663 8.783 -1.610 1.00 0.00 N ATOM 1092 CA ASP A 74 1.387 8.180 -2.926 1.00 0.00 C ATOM 1093 C ASP A 74 2.442 8.295 -4.047 1.00 0.00 C ATOM 1094 O ASP A 74 2.131 7.891 -5.162 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.026 8.497 -3.439 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.335 9.947 -3.803 1.00 0.00 C ATOM 1097 OD1 ASP A 74 0.577 10.802 -3.875 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.529 10.239 -4.058 1.00 0.00 O ATOM 0 H ASP A 74 1.100 9.609 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 74 1.462 7.123 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.210 7.883 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.739 8.182 -2.677 1.00 0.00 H new ATOM 1103 N ARG A 75 3.675 8.742 -3.766 1.00 0.00 N ATOM 1104 CA ARG A 75 4.924 8.425 -4.509 1.00 0.00 C ATOM 1105 C ARG A 75 6.146 8.472 -3.574 1.00 0.00 C ATOM 1106 O ARG A 75 7.175 9.085 -3.868 1.00 0.00 O ATOM 1107 CB ARG A 75 5.126 9.317 -5.764 1.00 0.00 C ATOM 1108 CG ARG A 75 4.230 8.956 -6.962 1.00 0.00 C ATOM 1109 CD ARG A 75 4.722 9.552 -8.284 1.00 0.00 C ATOM 1110 NE ARG A 75 3.914 9.043 -9.407 1.00 0.00 N ATOM 1111 CZ ARG A 75 3.929 9.429 -10.666 1.00 0.00 C ATOM 1112 NH1 ARG A 75 4.672 10.409 -11.099 1.00 0.00 N ATOM 1113 NH2 ARG A 75 3.166 8.799 -11.509 1.00 0.00 N ATOM 0 H ARG A 75 3.847 9.366 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 75 4.819 7.406 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.940 10.355 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.169 9.252 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.180 7.871 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.216 9.306 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.660 10.640 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.771 9.298 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 75 3.259 8.295 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.277 10.914 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.648 10.670 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.578 8.030 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.155 9.074 -12.491 1.00 0.00 H new ATOM 1127 N GLU A 76 6.012 7.862 -2.400 1.00 0.00 N ATOM 1128 CA GLU A 76 7.095 7.662 -1.438 1.00 0.00 C ATOM 1129 C GLU A 76 8.164 6.656 -1.916 1.00 0.00 C ATOM 1130 O GLU A 76 8.133 6.148 -3.038 1.00 0.00 O ATOM 1131 CB GLU A 76 6.480 7.164 -0.114 1.00 0.00 C ATOM 1132 CG GLU A 76 6.359 8.201 0.999 1.00 0.00 C ATOM 1133 CD GLU A 76 7.712 8.660 1.594 1.00 0.00 C ATOM 1134 OE1 GLU A 76 8.767 8.540 0.925 1.00 0.00 O ATOM 1135 OE2 GLU A 76 7.722 9.132 2.756 1.00 0.00 O ATOM 0 H GLU A 76 5.121 7.481 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 76 7.605 8.617 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.486 6.768 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.083 6.334 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.832 9.073 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.745 7.787 1.799 1.00 0.00 H new ATOM 1142 N SER A 77 9.060 6.298 -0.997 1.00 0.00 N ATOM 1143 CA SER A 77 9.820 5.045 -0.988 1.00 0.00 C ATOM 1144 C SER A 77 9.630 4.250 0.320 1.00 0.00 C ATOM 1145 O SER A 77 9.309 4.816 1.368 1.00 0.00 O ATOM 1146 CB SER A 77 11.306 5.332 -1.250 1.00 0.00 C ATOM 1147 OG SER A 77 11.893 6.092 -0.206 1.00 0.00 O ATOM 0 H SER A 77 9.287 6.898 -0.204 1.00 0.00 H new ATOM 0 HA SER A 77 9.431 4.417 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.843 4.390 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.411 5.869 -2.193 1.00 0.00 H new ATOM 0 HG SER A 77 12.838 6.252 -0.409 1.00 0.00 H new ATOM 1194 N ARG A 81 13.181 1.408 -2.438 1.00 0.00 N ATOM 1195 CA ARG A 81 12.360 1.274 -3.660 1.00 0.00 C ATOM 1196 C ARG A 81 11.093 2.112 -3.536 1.00 0.00 C ATOM 1197 O ARG A 81 10.655 2.409 -2.426 1.00 0.00 O ATOM 1198 CB ARG A 81 11.990 -0.209 -3.778 1.00 0.00 C ATOM 1199 CG ARG A 81 13.040 -1.080 -4.486 1.00 0.00 C ATOM 1200 CD ARG A 81 12.876 -1.092 -6.010 1.00 0.00 C ATOM 1201 NE ARG A 81 13.346 0.148 -6.659 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.742 0.824 -7.620 1.00 0.00 C ATOM 1203 NH1 ARG A 81 11.503 0.614 -7.963 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.386 1.757 -8.262 1.00 0.00 N ATOM 0 HA ARG A 81 12.906 1.619 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.822 -0.608 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.046 -0.292 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.036 -0.715 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.971 -2.101 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.425 -1.939 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.825 -1.245 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 81 14.235 0.524 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.955 -0.099 -7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.081 1.163 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.355 1.965 -8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.921 2.280 -9.004 1.00 0.00 H new ATOM 1218 N TYR A 82 10.502 2.496 -4.660 1.00 0.00 N ATOM 1219 CA TYR A 82 9.377 3.441 -4.660 1.00 0.00 C ATOM 1220 C TYR A 82 8.045 2.802 -4.288 1.00 0.00 C ATOM 1221 O TYR A 82 7.829 1.605 -4.457 1.00 0.00 O ATOM 1222 CB TYR A 82 9.272 4.209 -5.988 1.00 0.00 C ATOM 1223 CG TYR A 82 10.421 5.177 -6.217 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.358 6.477 -5.675 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.554 4.780 -6.952 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.427 7.375 -5.858 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.626 5.675 -7.139 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.567 6.975 -6.591 1.00 0.00 C ATOM 1229 OH TYR A 82 13.607 7.835 -6.775 1.00 0.00 O ATOM 0 H TYR A 82 10.778 2.171 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 82 9.602 4.158 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.239 3.495 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.332 4.761 -6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.486 6.785 -5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.602 3.787 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.376 8.369 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.494 5.366 -7.702 1.00 0.00 H new ATOM 0 HH TYR A 82 14.307 7.394 -7.301 1.00 0.00 H new ATOM 1239 N ILE A 83 7.136 3.637 -3.794 1.00 0.00 N ATOM 1240 CA ILE A 83 5.783 3.258 -3.428 1.00 0.00 C ATOM 1241 C ILE A 83 4.816 4.349 -3.894 1.00 0.00 C ATOM 1242 O ILE A 83 4.427 5.247 -3.146 1.00 0.00 O ATOM 1243 CB ILE A 83 5.644 2.963 -1.921 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.751 2.111 -1.265 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.299 2.258 -1.750 1.00 0.00 C ATOM 1246 CD1 ILE A 83 6.734 0.626 -1.635 1.00 0.00 C ATOM 0 H ILE A 83 7.331 4.625 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 83 5.532 2.324 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 83 5.729 3.921 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.720 2.527 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.663 2.201 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.143 2.022 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.499 2.911 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.294 1.337 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.550 0.114 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.784 0.186 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.857 0.518 -2.713 1.00 0.00 H new ATOM 1258 N GLU A 84 4.437 4.292 -5.167 1.00 0.00 N ATOM 1259 CA GLU A 84 3.195 4.895 -5.613 1.00 0.00 C ATOM 1260 C GLU A 84 2.011 4.222 -4.886 1.00 0.00 C ATOM 1261 O GLU A 84 1.994 2.998 -4.739 1.00 0.00 O ATOM 1262 CB GLU A 84 3.135 4.787 -7.143 1.00 0.00 C ATOM 1263 CG GLU A 84 1.971 5.557 -7.761 1.00 0.00 C ATOM 1264 CD GLU A 84 2.190 5.812 -9.269 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.626 4.892 -10.002 1.00 0.00 O ATOM 1266 OE2 GLU A 84 1.984 6.965 -9.721 1.00 0.00 O ATOM 0 H GLU A 84 4.974 3.834 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 84 3.138 5.954 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.070 5.158 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.055 3.737 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.047 4.997 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.850 6.509 -7.245 1.00 0.00 H new ATOM 1273 N VAL A 85 1.031 5.008 -4.425 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.189 4.504 -3.745 1.00 0.00 C ATOM 1275 C VAL A 85 -1.429 4.978 -4.487 1.00 0.00 C ATOM 1276 O VAL A 85 -1.852 6.126 -4.372 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.336 4.849 -2.242 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.443 3.955 -1.654 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.947 4.601 -1.452 1.00 0.00 C ATOM 0 H VAL A 85 1.054 6.024 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.079 3.420 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.573 5.910 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.567 4.179 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.380 4.145 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.167 2.907 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.786 4.860 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.223 3.549 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.749 5.217 -1.859 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.038 4.089 -5.255 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.329 4.351 -5.867 1.00 0.00 C ATOM 1291 C PHE A 86 -4.421 4.098 -4.842 1.00 0.00 C ATOM 1292 O PHE A 86 -4.295 3.236 -3.981 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.456 3.388 -7.042 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.617 3.709 -8.262 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.254 3.352 -8.274 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -3.184 4.336 -9.386 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.455 3.631 -9.393 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -2.384 4.610 -10.513 1.00 0.00 C ATOM 1299 CZ PHE A 86 -1.020 4.262 -10.515 1.00 0.00 C ATOM 0 H PHE A 86 -1.653 3.169 -5.471 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.420 5.382 -6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.191 2.389 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.502 3.353 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.821 2.860 -7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.230 4.607 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.591 3.362 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.819 5.089 -11.378 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.408 4.480 -11.378 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.519 4.819 -4.999 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.843 4.462 -4.521 1.00 0.00 C ATOM 1311 C LYS A 87 -7.425 3.481 -5.532 1.00 0.00 C ATOM 1312 O LYS A 87 -7.337 3.714 -6.741 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.658 5.752 -4.445 1.00 0.00 C ATOM 1314 CG LYS A 87 -9.013 5.502 -3.788 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.868 6.772 -3.730 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.217 7.910 -2.931 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.226 8.870 -2.427 1.00 0.00 N ATOM 0 H LYS A 87 -5.510 5.714 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.839 3.995 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.107 6.502 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.804 6.154 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.547 4.731 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.861 5.121 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.063 7.116 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.833 6.531 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.660 7.493 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.499 8.434 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.747 9.723 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.872 9.131 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.768 8.431 -1.655 1.00 0.00 H new ATOM 1331 N SER A 88 -7.974 2.382 -5.042 1.00 0.00 N ATOM 1332 CA SER A 88 -8.202 1.175 -5.820 1.00 0.00 C ATOM 1333 C SER A 88 -9.496 0.493 -5.392 1.00 0.00 C ATOM 1334 O SER A 88 -10.201 0.975 -4.500 1.00 0.00 O ATOM 1335 CB SER A 88 -6.979 0.259 -5.682 1.00 0.00 C ATOM 1336 OG SER A 88 -6.194 0.407 -6.842 1.00 0.00 O ATOM 0 H SER A 88 -8.280 2.302 -4.072 1.00 0.00 H new ATOM 0 HA SER A 88 -8.324 1.424 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.403 0.523 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.291 -0.779 -5.562 1.00 0.00 H new ATOM 0 HG SER A 88 -6.462 -0.262 -7.506 1.00 0.00 H new ATOM 1342 N HIS A 89 -9.820 -0.628 -6.033 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.121 -1.270 -5.883 1.00 0.00 C ATOM 1344 C HIS A 89 -10.942 -2.783 -5.679 1.00 0.00 C ATOM 1345 O HIS A 89 -10.070 -3.383 -6.309 1.00 0.00 O ATOM 1346 CB HIS A 89 -11.971 -0.995 -7.150 1.00 0.00 C ATOM 1347 CG HIS A 89 -11.725 0.330 -7.849 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -12.417 1.510 -7.680 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -10.769 0.569 -8.805 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -11.883 2.434 -8.497 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -10.871 1.907 -9.207 1.00 0.00 N ATOM 0 H HIS A 89 -9.189 -1.115 -6.669 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.631 -0.863 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.790 -1.798 -7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.024 -1.046 -6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.059 -0.152 -9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.220 3.457 -8.572 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.294 2.385 -9.899 1.00 0.00 H new ATOM 1359 N ARG A 90 -11.769 -3.446 -4.859 1.00 0.00 N ATOM 1360 CA ARG A 90 -11.684 -4.916 -4.703 1.00 0.00 C ATOM 1361 C ARG A 90 -12.040 -5.704 -5.975 1.00 0.00 C ATOM 1362 O ARG A 90 -11.510 -6.793 -6.182 1.00 0.00 O ATOM 1363 CB ARG A 90 -12.437 -5.401 -3.455 1.00 0.00 C ATOM 1364 CG ARG A 90 -13.963 -5.219 -3.488 1.00 0.00 C ATOM 1365 CD ARG A 90 -14.647 -5.848 -2.265 1.00 0.00 C ATOM 1366 NE ARG A 90 -14.067 -5.381 -0.988 1.00 0.00 N ATOM 1367 CZ ARG A 90 -14.668 -5.206 0.171 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -15.948 -5.365 0.347 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.940 -4.865 1.189 1.00 0.00 N ATOM 0 H ARG A 90 -12.496 -3.002 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.629 -5.139 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.218 -6.459 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.044 -4.871 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.200 -4.156 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.362 -5.669 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.711 -5.610 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.562 -6.933 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.070 -5.166 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.540 -5.639 -0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.359 -5.215 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.934 -4.740 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.374 -4.721 2.101 1.00 0.00 H new ATOM 1383 N THR A 91 -12.855 -5.134 -6.866 1.00 0.00 N ATOM 1384 CA THR A 91 -13.156 -5.701 -8.199 1.00 0.00 C ATOM 1385 C THR A 91 -11.931 -5.673 -9.126 1.00 0.00 C ATOM 1386 O THR A 91 -11.652 -6.652 -9.816 1.00 0.00 O ATOM 1387 CB THR A 91 -14.316 -4.938 -8.866 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.371 -4.725 -7.950 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.896 -5.681 -10.070 1.00 0.00 C ATOM 0 H THR A 91 -13.335 -4.252 -6.687 1.00 0.00 H new ATOM 0 HA THR A 91 -13.443 -6.741 -8.042 1.00 0.00 H new ATOM 0 HB THR A 91 -13.891 -3.992 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.096 -4.238 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.710 -5.097 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.117 -5.825 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.275 -6.652 -9.750 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.155 -4.581 -9.106 1.00 0.00 N ATOM 1398 CA GLU A 92 -9.837 -4.497 -9.755 1.00 0.00 C ATOM 1399 C GLU A 92 -8.856 -5.481 -9.107 1.00 0.00 C ATOM 1400 O GLU A 92 -8.206 -6.256 -9.801 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.304 -3.052 -9.645 1.00 0.00 C ATOM 1402 CG GLU A 92 -7.837 -2.856 -10.084 1.00 0.00 C ATOM 1403 CD GLU A 92 -7.284 -1.455 -9.743 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -7.624 -0.900 -8.668 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -6.467 -0.927 -10.538 1.00 0.00 O ATOM 0 H GLU A 92 -11.427 -3.719 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.938 -4.764 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.937 -2.402 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.404 -2.723 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.216 -3.612 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.761 -3.018 -11.159 1.00 0.00 H new ATOM 1412 N MET A 93 -8.772 -5.486 -7.776 1.00 0.00 N ATOM 1413 CA MET A 93 -7.858 -6.342 -7.023 1.00 0.00 C ATOM 1414 C MET A 93 -8.031 -7.837 -7.346 1.00 0.00 C ATOM 1415 O MET A 93 -7.063 -8.574 -7.536 1.00 0.00 O ATOM 1416 CB MET A 93 -8.073 -6.084 -5.537 1.00 0.00 C ATOM 1417 CG MET A 93 -7.009 -6.808 -4.717 1.00 0.00 C ATOM 1418 SD MET A 93 -7.633 -8.268 -3.838 1.00 0.00 S ATOM 1419 CE MET A 93 -8.829 -7.488 -2.714 1.00 0.00 C ATOM 0 H MET A 93 -9.346 -4.886 -7.183 1.00 0.00 H new ATOM 0 HA MET A 93 -6.838 -6.091 -7.313 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.031 -5.013 -5.337 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.065 -6.425 -5.241 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.198 -7.112 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.585 -6.112 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.970 -8.120 -1.837 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.453 -6.513 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.782 -7.362 -3.227 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.278 -8.279 -7.478 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.615 -9.649 -7.873 1.00 0.00 C ATOM 1431 C ASP A 94 -9.062 -10.001 -9.262 1.00 0.00 C ATOM 1432 O ASP A 94 -8.546 -11.099 -9.478 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.139 -9.811 -7.876 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.548 -11.243 -8.261 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.503 -12.144 -7.391 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.881 -11.481 -9.446 1.00 0.00 O ATOM 0 H ASP A 94 -10.095 -7.691 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.158 -10.328 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.534 -9.570 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.581 -9.103 -8.578 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.156 -9.054 -10.195 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.596 -9.136 -11.541 1.00 0.00 C ATOM 1443 C TRP A 95 -7.071 -9.233 -11.487 1.00 0.00 C ATOM 1444 O TRP A 95 -6.494 -10.176 -12.025 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.108 -7.943 -12.379 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.159 -7.190 -13.275 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -7.968 -5.850 -13.244 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.318 -7.672 -14.372 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.084 -5.472 -14.236 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -6.669 -6.554 -14.980 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.041 -8.939 -14.925 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -5.819 -6.682 -16.089 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.226 -9.079 -16.064 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.612 -7.956 -16.644 1.00 0.00 C ATOM 0 H TRP A 95 -9.644 -8.174 -10.026 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.933 -10.047 -12.035 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -9.921 -8.311 -13.004 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.541 -7.222 -11.686 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.439 -5.174 -12.545 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -6.777 -4.513 -14.397 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.463 -9.820 -14.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.332 -5.815 -16.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.071 -10.057 -16.495 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.983 -8.072 -17.514 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.394 -8.305 -10.810 1.00 0.00 N ATOM 1466 CA VAL A 96 -4.943 -8.154 -10.981 1.00 0.00 C ATOM 1467 C VAL A 96 -4.116 -9.263 -10.311 1.00 0.00 C ATOM 1468 O VAL A 96 -3.066 -9.643 -10.830 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.454 -6.782 -10.494 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.129 -5.616 -11.210 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.707 -6.604 -9.005 1.00 0.00 C ATOM 0 H VAL A 96 -6.816 -7.654 -10.147 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.781 -8.239 -12.055 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.387 -6.768 -10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.740 -4.675 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.925 -5.678 -12.279 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.205 -5.660 -11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.350 -5.623 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.776 -6.683 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.177 -7.378 -8.451 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.587 -9.822 -9.190 1.00 0.00 N ATOM 1482 CA LEU A 97 -3.997 -10.990 -8.520 1.00 0.00 C ATOM 1483 C LEU A 97 -4.174 -12.301 -9.318 1.00 0.00 C ATOM 1484 O LEU A 97 -3.495 -13.290 -9.029 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.663 -11.134 -7.139 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.083 -10.271 -6.000 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -3.904 -8.787 -6.272 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -5.004 -10.436 -4.790 1.00 0.00 C ATOM 0 H LEU A 97 -5.413 -9.465 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.923 -10.823 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.721 -10.893 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.602 -12.180 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.067 -10.636 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.489 -8.303 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.225 -8.651 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.870 -8.342 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.626 -9.839 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.009 -10.102 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.035 -11.485 -4.497 1.00 0.00 H new