USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 569 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 9 CYS SG : rot -129:sc= -0.0079 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.78) USER MOD Set 2.1: A 33 THR OG1 : rot 21:sc= 1.79 USER MOD Set 2.2: A 59 TYR OH : rot -170:sc= 0.404 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 143:sc= -0.69 (180deg=-2.53!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 157:sc= -0.663 (180deg=-1.94!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 161:sc= -0.0442 (180deg=-0.352) USER MOD Single : A 78 GLN : amide:sc= -4.8! C(o=-4.8!,f=-5.7!) USER MOD Single : A 82 HIS :FLIP no HE2:sc= -0.0252 F(o=-0.89,f=-0.025) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 0.443 6.616 5.806 1.00 0.00 N ATOM 81 CA CYS A 9 -0.512 6.213 4.779 1.00 0.00 C ATOM 82 C CYS A 9 0.071 5.115 3.896 1.00 0.00 C ATOM 83 O CYS A 9 1.066 5.324 3.202 1.00 0.00 O ATOM 84 CB CYS A 9 -0.908 7.416 3.921 1.00 0.00 C ATOM 85 SG CYS A 9 -1.893 8.654 4.797 1.00 0.00 S ATOM 0 HA CYS A 9 -1.400 5.822 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.004 7.890 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.472 7.063 3.057 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.953 8.937 4.100 1.00 0.00 H new ATOM 91 N ARG A 10 -0.554 3.942 3.929 1.00 0.00 N ATOM 92 CA ARG A 10 -0.095 2.809 3.134 1.00 0.00 C ATOM 93 C ARG A 10 -1.276 2.059 2.525 1.00 0.00 C ATOM 94 O ARG A 10 -2.343 1.960 3.133 1.00 0.00 O ATOM 95 CB ARG A 10 0.737 1.858 3.996 1.00 0.00 C ATOM 96 CG ARG A 10 2.152 2.349 4.253 1.00 0.00 C ATOM 97 CD ARG A 10 2.906 1.413 5.184 1.00 0.00 C ATOM 98 NE ARG A 10 2.378 1.452 6.545 1.00 0.00 N ATOM 99 CZ ARG A 10 1.379 0.686 6.968 1.00 0.00 C ATOM 100 NH1 ARG A 10 0.803 -0.175 6.140 1.00 0.00 N ATOM 101 NH2 ARG A 10 0.955 0.779 8.222 1.00 0.00 N ATOM 0 H ARG A 10 -1.379 3.752 4.498 1.00 0.00 H new ATOM 0 HA ARG A 10 0.526 3.193 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.233 1.712 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.782 0.884 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.687 2.432 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.118 3.348 4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.845 0.394 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.961 1.687 5.197 1.00 0.00 H new ATOM 0 HE ARG A 10 2.800 2.103 7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.127 -0.250 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.036 -0.762 6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.396 1.439 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.188 0.190 8.546 1.00 0.00 H new ATOM 115 N LEU A 11 -1.079 1.534 1.321 1.00 0.00 N ATOM 116 CA LEU A 11 -2.127 0.792 0.628 1.00 0.00 C ATOM 117 C LEU A 11 -1.935 -0.711 0.799 1.00 0.00 C ATOM 118 O LEU A 11 -0.812 -1.213 0.748 1.00 0.00 O ATOM 119 CB LEU A 11 -2.136 1.152 -0.858 1.00 0.00 C ATOM 120 CG LEU A 11 -2.673 2.539 -1.210 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.644 2.757 -2.715 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.085 2.717 -0.671 1.00 0.00 C ATOM 0 H LEU A 11 -0.203 1.608 0.804 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.085 1.068 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.117 1.072 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.732 0.409 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.030 3.285 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.030 3.750 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.619 2.673 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.263 2.004 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.451 3.710 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.739 1.963 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.077 2.606 0.413 1.00 0.00 H new ATOM 134 N PHE A 12 -3.038 -1.425 0.999 1.00 0.00 N ATOM 135 CA PHE A 12 -2.991 -2.871 1.175 1.00 0.00 C ATOM 136 C PHE A 12 -2.996 -3.584 -0.174 1.00 0.00 C ATOM 137 O PHE A 12 -4.039 -3.715 -0.815 1.00 0.00 O ATOM 138 CB PHE A 12 -4.179 -3.342 2.018 1.00 0.00 C ATOM 139 CG PHE A 12 -4.090 -4.785 2.425 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.365 -5.794 1.515 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.730 -5.133 3.717 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.285 -7.122 1.888 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.648 -6.460 4.095 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.925 -7.456 3.179 1.00 0.00 C ATOM 0 H PHE A 12 -3.975 -1.025 1.043 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.065 -3.119 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.247 -2.724 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.099 -3.188 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.645 -5.539 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.511 -4.358 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.504 -7.899 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.368 -6.718 5.106 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.860 -8.494 3.472 1.00 0.00 H new ATOM 154 N ILE A 13 -1.823 -4.043 -0.598 1.00 0.00 N ATOM 155 CA ILE A 13 -1.691 -4.742 -1.870 1.00 0.00 C ATOM 156 C ILE A 13 -1.575 -6.248 -1.659 1.00 0.00 C ATOM 157 O ILE A 13 -0.532 -6.748 -1.237 1.00 0.00 O ATOM 158 CB ILE A 13 -0.464 -4.249 -2.659 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.384 -2.722 -2.618 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.526 -4.743 -4.097 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.598 -2.037 -3.206 1.00 0.00 C ATOM 0 H ILE A 13 -0.951 -3.943 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.592 -4.526 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 13 0.435 -4.654 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.261 -2.400 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.504 -2.398 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.348 -4.386 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.540 -5.833 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.430 -4.364 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.472 -0.956 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.711 -2.329 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.487 -2.331 -2.649 1.00 0.00 H new ATOM 173 N GLY A 14 -2.652 -6.967 -1.958 1.00 0.00 N ATOM 174 CA GLY A 14 -2.650 -8.410 -1.797 1.00 0.00 C ATOM 175 C GLY A 14 -2.789 -9.141 -3.117 1.00 0.00 C ATOM 176 O GLY A 14 -3.445 -8.656 -4.037 1.00 0.00 O ATOM 0 H GLY A 14 -3.526 -6.576 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.724 -8.717 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.467 -8.700 -1.137 1.00 0.00 H new ATOM 180 N GLY A 15 -2.167 -10.312 -3.211 1.00 0.00 N ATOM 181 CA GLY A 15 -2.235 -11.092 -4.434 1.00 0.00 C ATOM 182 C GLY A 15 -1.032 -10.873 -5.329 1.00 0.00 C ATOM 183 O GLY A 15 -1.178 -10.528 -6.502 1.00 0.00 O ATOM 0 H GLY A 15 -1.617 -10.735 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.309 -12.150 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.142 -10.829 -4.979 1.00 0.00 H new ATOM 187 N ILE A 16 0.159 -11.071 -4.776 1.00 0.00 N ATOM 188 CA ILE A 16 1.392 -10.892 -5.533 1.00 0.00 C ATOM 189 C ILE A 16 2.384 -12.013 -5.241 1.00 0.00 C ATOM 190 O ILE A 16 2.415 -12.579 -4.149 1.00 0.00 O ATOM 191 CB ILE A 16 2.056 -9.539 -5.215 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.328 -9.419 -3.714 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.177 -8.393 -5.693 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.361 -8.369 -3.369 1.00 0.00 C ATOM 0 H ILE A 16 0.297 -11.356 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 16 1.121 -10.916 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 16 3.008 -9.486 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.396 -9.182 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.663 -10.385 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.659 -7.443 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.030 -8.472 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.211 -8.441 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.503 -8.339 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.306 -8.616 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.019 -7.394 -3.717 1.00 0.00 H new ATOM 206 N PRO A 17 3.216 -12.342 -6.241 1.00 0.00 N ATOM 207 CA PRO A 17 4.226 -13.396 -6.116 1.00 0.00 C ATOM 208 C PRO A 17 5.358 -13.005 -5.172 1.00 0.00 C ATOM 209 O PRO A 17 5.943 -11.929 -5.298 1.00 0.00 O ATOM 210 CB PRO A 17 4.752 -13.555 -7.544 1.00 0.00 C ATOM 211 CG PRO A 17 4.498 -12.237 -8.190 1.00 0.00 C ATOM 212 CD PRO A 17 3.234 -11.709 -7.571 1.00 0.00 C ATOM 0 HA PRO A 17 3.809 -14.312 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.814 -13.801 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.236 -14.359 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.330 -11.553 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.388 -12.346 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.246 -10.621 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.356 -11.980 -8.157 1.00 0.00 H new ATOM 220 N LYS A 18 5.663 -13.886 -4.225 1.00 0.00 N ATOM 221 CA LYS A 18 6.726 -13.634 -3.259 1.00 0.00 C ATOM 222 C LYS A 18 8.063 -13.424 -3.964 1.00 0.00 C ATOM 223 O LYS A 18 8.860 -12.577 -3.563 1.00 0.00 O ATOM 224 CB LYS A 18 6.835 -14.800 -2.274 1.00 0.00 C ATOM 225 CG LYS A 18 5.515 -15.170 -1.621 1.00 0.00 C ATOM 226 CD LYS A 18 5.569 -16.555 -0.998 1.00 0.00 C ATOM 227 CE LYS A 18 4.371 -16.808 -0.096 1.00 0.00 C ATOM 228 NZ LYS A 18 4.682 -17.792 0.977 1.00 0.00 N ATOM 0 H LYS A 18 5.189 -14.781 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 18 6.477 -12.725 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.229 -15.671 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.555 -14.543 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.269 -14.435 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.718 -15.135 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.598 -17.308 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.488 -16.660 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.051 -15.869 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.537 -17.175 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.840 -17.937 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.963 -18.697 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.461 -17.431 1.564 1.00 0.00 H new ATOM 242 N MET A 19 8.300 -14.200 -5.017 1.00 0.00 N ATOM 243 CA MET A 19 9.539 -14.095 -5.779 1.00 0.00 C ATOM 244 C MET A 19 9.977 -12.640 -5.907 1.00 0.00 C ATOM 245 O MET A 19 11.169 -12.345 -5.993 1.00 0.00 O ATOM 246 CB MET A 19 9.362 -14.712 -7.168 1.00 0.00 C ATOM 247 CG MET A 19 8.631 -13.806 -8.146 1.00 0.00 C ATOM 248 SD MET A 19 8.088 -14.678 -9.628 1.00 0.00 S ATOM 249 CE MET A 19 7.164 -16.031 -8.905 1.00 0.00 C ATOM 0 H MET A 19 7.651 -14.908 -5.362 1.00 0.00 H new ATOM 0 HA MET A 19 10.314 -14.642 -5.243 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.343 -14.957 -7.576 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.813 -15.649 -7.073 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.766 -13.366 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.286 -12.984 -8.433 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.292 -16.247 -9.522 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.798 -16.916 -8.850 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.839 -15.755 -7.902 1.00 0.00 H new ATOM 259 N LYS A 20 9.006 -11.733 -5.921 1.00 0.00 N ATOM 260 CA LYS A 20 9.291 -10.308 -6.038 1.00 0.00 C ATOM 261 C LYS A 20 9.923 -9.772 -4.757 1.00 0.00 C ATOM 262 O LYS A 20 10.008 -10.478 -3.752 1.00 0.00 O ATOM 263 CB LYS A 20 8.008 -9.534 -6.348 1.00 0.00 C ATOM 264 CG LYS A 20 7.171 -10.160 -7.451 1.00 0.00 C ATOM 265 CD LYS A 20 7.723 -9.825 -8.827 1.00 0.00 C ATOM 266 CE LYS A 20 7.202 -10.786 -9.885 1.00 0.00 C ATOM 267 NZ LYS A 20 8.174 -10.963 -10.999 1.00 0.00 N ATOM 0 H LYS A 20 8.014 -11.960 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 20 9.998 -10.171 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.407 -9.466 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.269 -8.515 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.147 -11.242 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.143 -9.806 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.446 -8.805 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.812 -9.864 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.994 -11.753 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.258 -10.412 -10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.783 -11.625 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.353 -10.044 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.066 -11.344 -10.624 1.00 0.00 H new ATOM 281 N LYS A 21 10.364 -8.520 -4.799 1.00 0.00 N ATOM 282 CA LYS A 21 10.986 -7.888 -3.642 1.00 0.00 C ATOM 283 C LYS A 21 10.501 -6.451 -3.481 1.00 0.00 C ATOM 284 O LYS A 21 10.285 -5.744 -4.465 1.00 0.00 O ATOM 285 CB LYS A 21 12.510 -7.910 -3.781 1.00 0.00 C ATOM 286 CG LYS A 21 13.119 -9.287 -3.583 1.00 0.00 C ATOM 287 CD LYS A 21 14.470 -9.403 -4.269 1.00 0.00 C ATOM 288 CE LYS A 21 14.323 -9.472 -5.781 1.00 0.00 C ATOM 289 NZ LYS A 21 15.500 -10.118 -6.424 1.00 0.00 N ATOM 0 H LYS A 21 10.302 -7.922 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 21 10.700 -8.451 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.782 -7.541 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.943 -7.223 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.233 -9.486 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.443 -10.045 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.090 -8.547 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.986 -10.294 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.420 -10.029 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.198 -8.465 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.361 -10.146 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.358 -9.573 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.604 -11.088 -6.063 1.00 0.00 H new ATOM 303 N ARG A 22 10.332 -6.025 -2.233 1.00 0.00 N ATOM 304 CA ARG A 22 9.872 -4.672 -1.944 1.00 0.00 C ATOM 305 C ARG A 22 10.468 -3.672 -2.930 1.00 0.00 C ATOM 306 O ARG A 22 9.805 -2.719 -3.339 1.00 0.00 O ATOM 307 CB ARG A 22 10.247 -4.278 -0.514 1.00 0.00 C ATOM 308 CG ARG A 22 11.746 -4.203 -0.276 1.00 0.00 C ATOM 309 CD ARG A 22 12.082 -4.324 1.202 1.00 0.00 C ATOM 310 NE ARG A 22 13.425 -3.833 1.500 1.00 0.00 N ATOM 311 CZ ARG A 22 13.981 -3.899 2.705 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.313 -4.431 3.719 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.208 -3.431 2.897 1.00 0.00 N ATOM 0 H ARG A 22 10.507 -6.597 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 22 8.787 -4.655 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.802 -3.310 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.813 -5.000 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.244 -4.999 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.130 -3.258 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.353 -3.763 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.001 -5.367 1.508 1.00 0.00 H new ATOM 0 HE ARG A 22 13.966 -3.417 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.370 -4.791 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.743 -4.480 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.725 -3.020 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.634 -3.482 3.822 1.00 0.00 H new ATOM 327 N GLU A 23 11.722 -3.897 -3.308 1.00 0.00 N ATOM 328 CA GLU A 23 12.407 -3.015 -4.246 1.00 0.00 C ATOM 329 C GLU A 23 11.744 -3.061 -5.620 1.00 0.00 C ATOM 330 O GLU A 23 11.558 -2.030 -6.265 1.00 0.00 O ATOM 331 CB GLU A 23 13.881 -3.407 -4.365 1.00 0.00 C ATOM 332 CG GLU A 23 14.096 -4.865 -4.736 1.00 0.00 C ATOM 333 CD GLU A 23 15.560 -5.207 -4.933 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.318 -5.164 -3.942 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.946 -5.519 -6.079 1.00 0.00 O ATOM 0 H GLU A 23 12.284 -4.682 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 23 12.339 -1.997 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.356 -2.776 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.380 -3.205 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.680 -5.500 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.548 -5.088 -5.652 1.00 0.00 H new ATOM 342 N GLU A 24 11.391 -4.265 -6.060 1.00 0.00 N ATOM 343 CA GLU A 24 10.751 -4.446 -7.357 1.00 0.00 C ATOM 344 C GLU A 24 9.299 -3.976 -7.318 1.00 0.00 C ATOM 345 O GLU A 24 8.900 -3.098 -8.082 1.00 0.00 O ATOM 346 CB GLU A 24 10.811 -5.915 -7.780 1.00 0.00 C ATOM 347 CG GLU A 24 12.120 -6.303 -8.448 1.00 0.00 C ATOM 348 CD GLU A 24 12.174 -5.893 -9.907 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.010 -4.689 -10.192 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.381 -6.778 -10.764 1.00 0.00 O ATOM 0 H GLU A 24 11.538 -5.129 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 24 11.291 -3.843 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.660 -6.544 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.988 -6.121 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.948 -5.839 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.257 -7.382 -8.372 1.00 0.00 H new ATOM 357 N ILE A 25 8.516 -4.568 -6.422 1.00 0.00 N ATOM 358 CA ILE A 25 7.110 -4.210 -6.282 1.00 0.00 C ATOM 359 C ILE A 25 6.910 -2.705 -6.421 1.00 0.00 C ATOM 360 O ILE A 25 6.106 -2.247 -7.234 1.00 0.00 O ATOM 361 CB ILE A 25 6.545 -4.670 -4.925 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.670 -6.188 -4.784 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.093 -4.236 -4.783 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.585 -6.670 -3.352 1.00 0.00 C ATOM 0 H ILE A 25 8.831 -5.297 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 25 6.572 -4.720 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 25 7.124 -4.202 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.882 -6.665 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.621 -6.508 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.707 -4.568 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.030 -3.150 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.501 -4.679 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.681 -7.755 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.389 -6.221 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.624 -6.381 -2.927 1.00 0.00 H new ATOM 376 N LEU A 26 7.647 -1.940 -5.623 1.00 0.00 N ATOM 377 CA LEU A 26 7.552 -0.484 -5.658 1.00 0.00 C ATOM 378 C LEU A 26 7.502 0.024 -7.095 1.00 0.00 C ATOM 379 O LEU A 26 6.531 0.660 -7.504 1.00 0.00 O ATOM 380 CB LEU A 26 8.740 0.141 -4.924 1.00 0.00 C ATOM 381 CG LEU A 26 8.894 1.656 -5.066 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.036 2.378 -4.040 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.354 2.059 -4.922 1.00 0.00 C ATOM 0 H LEU A 26 8.316 -2.303 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 26 6.629 -0.192 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.653 -0.098 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.654 -0.332 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 26 8.554 1.945 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.159 3.455 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.989 2.114 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.344 2.084 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.445 3.140 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.720 1.757 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.945 1.569 -5.696 1.00 0.00 H new ATOM 395 N GLU A 27 8.554 -0.262 -7.856 1.00 0.00 N ATOM 396 CA GLU A 27 8.628 0.166 -9.248 1.00 0.00 C ATOM 397 C GLU A 27 7.321 -0.130 -9.978 1.00 0.00 C ATOM 398 O GLU A 27 6.712 0.763 -10.567 1.00 0.00 O ATOM 399 CB GLU A 27 9.790 -0.532 -9.957 1.00 0.00 C ATOM 400 CG GLU A 27 10.274 0.201 -11.198 1.00 0.00 C ATOM 401 CD GLU A 27 9.549 -0.238 -12.455 1.00 0.00 C ATOM 402 OE1 GLU A 27 8.973 -1.347 -12.450 1.00 0.00 O ATOM 403 OE2 GLU A 27 9.557 0.525 -13.443 1.00 0.00 O ATOM 0 H GLU A 27 9.366 -0.788 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 27 8.796 1.243 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.621 -0.636 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.481 -1.539 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.136 1.273 -11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.344 0.031 -11.322 1.00 0.00 H new ATOM 410 N GLU A 28 6.896 -1.389 -9.934 1.00 0.00 N ATOM 411 CA GLU A 28 5.663 -1.802 -10.592 1.00 0.00 C ATOM 412 C GLU A 28 4.476 -0.990 -10.083 1.00 0.00 C ATOM 413 O GLU A 28 3.431 -0.924 -10.731 1.00 0.00 O ATOM 414 CB GLU A 28 5.411 -3.293 -10.363 1.00 0.00 C ATOM 415 CG GLU A 28 6.024 -4.185 -11.429 1.00 0.00 C ATOM 416 CD GLU A 28 5.711 -3.713 -12.836 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.524 -3.742 -13.221 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.655 -3.315 -13.550 1.00 0.00 O ATOM 0 H GLU A 28 7.388 -2.140 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 28 5.774 -1.620 -11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.813 -3.575 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.336 -3.470 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.105 -4.217 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.656 -5.203 -11.301 1.00 0.00 H new ATOM 425 N ILE A 29 4.644 -0.374 -8.917 1.00 0.00 N ATOM 426 CA ILE A 29 3.588 0.434 -8.321 1.00 0.00 C ATOM 427 C ILE A 29 3.727 1.900 -8.715 1.00 0.00 C ATOM 428 O ILE A 29 2.734 2.587 -8.950 1.00 0.00 O ATOM 429 CB ILE A 29 3.595 0.324 -6.784 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.123 -1.064 -6.348 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.716 1.405 -6.172 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.742 -1.419 -6.851 1.00 0.00 C ATOM 0 H ILE A 29 5.502 -0.420 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 29 2.643 0.047 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 29 4.615 0.468 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.834 -1.809 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.128 -1.115 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.731 1.314 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.093 2.386 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.694 1.289 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.473 -2.417 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.020 -0.696 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.736 -1.401 -7.941 1.00 0.00 H new ATOM 444 N ALA A 30 4.968 2.372 -8.789 1.00 0.00 N ATOM 445 CA ALA A 30 5.238 3.755 -9.159 1.00 0.00 C ATOM 446 C ALA A 30 4.621 4.092 -10.513 1.00 0.00 C ATOM 447 O ALA A 30 4.542 5.258 -10.898 1.00 0.00 O ATOM 448 CB ALA A 30 6.737 4.012 -9.182 1.00 0.00 C ATOM 0 H ALA A 30 5.802 1.816 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 30 4.781 4.401 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.924 5.049 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.154 3.820 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.208 3.351 -9.909 1.00 0.00 H new ATOM 454 N LYS A 31 4.187 3.062 -11.232 1.00 0.00 N ATOM 455 CA LYS A 31 3.577 3.248 -12.543 1.00 0.00 C ATOM 456 C LYS A 31 2.059 3.119 -12.460 1.00 0.00 C ATOM 457 O LYS A 31 1.325 3.943 -13.008 1.00 0.00 O ATOM 458 CB LYS A 31 4.132 2.224 -13.536 1.00 0.00 C ATOM 459 CG LYS A 31 4.357 0.849 -12.931 1.00 0.00 C ATOM 460 CD LYS A 31 4.928 -0.122 -13.950 1.00 0.00 C ATOM 461 CE LYS A 31 6.403 0.145 -14.209 1.00 0.00 C ATOM 462 NZ LYS A 31 6.885 -0.545 -15.438 1.00 0.00 N ATOM 0 H LYS A 31 4.247 2.090 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 31 3.821 4.252 -12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.442 2.134 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.076 2.594 -13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.038 0.930 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.414 0.461 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.799 -1.144 -13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.373 -0.039 -14.884 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.566 1.218 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.988 -0.189 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.894 -0.338 -15.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.753 -1.571 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.344 -0.208 -16.260 1.00 0.00 H new ATOM 476 N VAL A 32 1.594 2.082 -11.771 1.00 0.00 N ATOM 477 CA VAL A 32 0.163 1.848 -11.614 1.00 0.00 C ATOM 478 C VAL A 32 -0.477 2.922 -10.741 1.00 0.00 C ATOM 479 O VAL A 32 -1.655 3.245 -10.898 1.00 0.00 O ATOM 480 CB VAL A 32 -0.114 0.466 -10.994 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.693 -0.610 -11.704 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.194 0.478 -9.504 1.00 0.00 C ATOM 0 H VAL A 32 2.187 1.390 -11.313 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.276 1.886 -12.611 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.172 0.237 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.484 -1.579 -11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.418 -0.635 -12.758 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.756 -0.388 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.008 -0.507 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.243 0.730 -9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.433 1.220 -9.009 1.00 0.00 H new ATOM 492 N THR A 33 0.307 3.474 -9.820 1.00 0.00 N ATOM 493 CA THR A 33 -0.182 4.511 -8.922 1.00 0.00 C ATOM 494 C THR A 33 0.870 5.593 -8.706 1.00 0.00 C ATOM 495 O THR A 33 1.932 5.334 -8.143 1.00 0.00 O ATOM 496 CB THR A 33 -0.588 3.926 -7.556 1.00 0.00 C ATOM 497 OG1 THR A 33 0.570 3.446 -6.865 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.588 2.792 -7.729 1.00 0.00 C ATOM 0 H THR A 33 1.284 3.219 -9.677 1.00 0.00 H new ATOM 0 HA THR A 33 -1.059 4.951 -9.396 1.00 0.00 H new ATOM 0 HB THR A 33 -1.057 4.717 -6.971 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.371 3.876 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.860 2.395 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.481 3.167 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.140 2.001 -8.331 1.00 0.00 H new ATOM 506 N GLU A 34 0.566 6.806 -9.157 1.00 0.00 N ATOM 507 CA GLU A 34 1.487 7.927 -9.012 1.00 0.00 C ATOM 508 C GLU A 34 1.282 8.630 -7.673 1.00 0.00 C ATOM 509 O GLU A 34 0.187 9.100 -7.367 1.00 0.00 O ATOM 510 CB GLU A 34 1.297 8.923 -10.158 1.00 0.00 C ATOM 511 CG GLU A 34 1.989 8.509 -11.446 1.00 0.00 C ATOM 512 CD GLU A 34 2.211 9.674 -12.390 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.948 10.610 -12.015 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.647 9.650 -13.504 1.00 0.00 O ATOM 0 H GLU A 34 -0.310 7.037 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 34 2.504 7.536 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.231 9.043 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.677 9.897 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.949 8.052 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.390 7.749 -11.948 1.00 0.00 H new ATOM 521 N GLY A 35 2.346 8.698 -6.878 1.00 0.00 N ATOM 522 CA GLY A 35 2.263 9.344 -5.581 1.00 0.00 C ATOM 523 C GLY A 35 2.769 8.459 -4.459 1.00 0.00 C ATOM 524 O GLY A 35 2.493 8.713 -3.286 1.00 0.00 O ATOM 0 H GLY A 35 3.264 8.317 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.842 10.267 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.228 9.621 -5.382 1.00 0.00 H new ATOM 528 N VAL A 36 3.510 7.416 -4.819 1.00 0.00 N ATOM 529 CA VAL A 36 4.055 6.490 -3.833 1.00 0.00 C ATOM 530 C VAL A 36 5.372 7.007 -3.263 1.00 0.00 C ATOM 531 O VAL A 36 6.062 7.808 -3.893 1.00 0.00 O ATOM 532 CB VAL A 36 4.285 5.094 -4.442 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.179 4.753 -5.429 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.649 5.023 -5.112 1.00 0.00 C ATOM 0 H VAL A 36 3.747 7.191 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 36 3.321 6.412 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 36 4.262 4.358 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.359 3.763 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.218 4.760 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.167 5.491 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.794 4.030 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.704 5.768 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.427 5.220 -4.375 1.00 0.00 H new ATOM 544 N LEU A 37 5.714 6.542 -2.066 1.00 0.00 N ATOM 545 CA LEU A 37 6.949 6.957 -1.410 1.00 0.00 C ATOM 546 C LEU A 37 7.902 5.777 -1.247 1.00 0.00 C ATOM 547 O LEU A 37 9.078 5.862 -1.601 1.00 0.00 O ATOM 548 CB LEU A 37 6.642 7.571 -0.043 1.00 0.00 C ATOM 549 CG LEU A 37 7.631 8.624 0.457 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.747 9.765 -0.542 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.207 9.149 1.821 1.00 0.00 C ATOM 0 H LEU A 37 5.154 5.878 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 37 7.431 7.706 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.651 8.023 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.595 6.767 0.692 1.00 0.00 H new ATOM 0 HG LEU A 37 8.610 8.156 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.455 10.505 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.098 9.377 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.771 10.232 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.923 9.898 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.218 9.600 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.177 8.325 2.534 1.00 0.00 H new ATOM 563 N ASP A 38 7.385 4.676 -0.712 1.00 0.00 N ATOM 564 CA ASP A 38 8.189 3.476 -0.506 1.00 0.00 C ATOM 565 C ASP A 38 7.300 2.263 -0.251 1.00 0.00 C ATOM 566 O ASP A 38 6.094 2.397 -0.042 1.00 0.00 O ATOM 567 CB ASP A 38 9.149 3.676 0.668 1.00 0.00 C ATOM 568 CG ASP A 38 10.439 2.898 0.500 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.229 3.246 -0.403 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.660 1.941 1.271 1.00 0.00 O ATOM 0 H ASP A 38 6.414 4.589 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 38 8.767 3.296 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.378 4.737 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.659 3.366 1.591 1.00 0.00 H new ATOM 575 N VAL A 39 7.903 1.079 -0.271 1.00 0.00 N ATOM 576 CA VAL A 39 7.166 -0.158 -0.042 1.00 0.00 C ATOM 577 C VAL A 39 7.741 -0.929 1.141 1.00 0.00 C ATOM 578 O VAL A 39 8.949 -0.915 1.376 1.00 0.00 O ATOM 579 CB VAL A 39 7.186 -1.062 -1.289 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.865 -2.500 -0.912 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.211 -0.546 -2.337 1.00 0.00 C ATOM 0 H VAL A 39 8.900 0.950 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 39 6.136 0.123 0.177 1.00 0.00 H new ATOM 0 HB VAL A 39 8.188 -1.039 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.884 -3.123 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.606 -2.864 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.875 -2.545 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.238 -1.197 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.203 -0.537 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.492 0.466 -2.629 1.00 0.00 H new ATOM 591 N ILE A 40 6.867 -1.603 1.881 1.00 0.00 N ATOM 592 CA ILE A 40 7.288 -2.382 3.039 1.00 0.00 C ATOM 593 C ILE A 40 6.748 -3.806 2.969 1.00 0.00 C ATOM 594 O ILE A 40 5.539 -4.020 2.883 1.00 0.00 O ATOM 595 CB ILE A 40 6.821 -1.732 4.355 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.404 -0.323 4.488 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.224 -2.592 5.543 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.513 0.629 5.254 1.00 0.00 C ATOM 0 H ILE A 40 5.864 -1.625 1.699 1.00 0.00 H new ATOM 0 HA ILE A 40 8.378 -2.408 3.023 1.00 0.00 H new ATOM 0 HB ILE A 40 5.734 -1.655 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.371 -0.384 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.584 0.082 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.887 -2.119 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.766 -3.577 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.309 -2.697 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.989 1.608 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.554 0.720 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.353 0.246 6.262 1.00 0.00 H new ATOM 806 N PHE A 54 1.913 -10.572 -0.172 1.00 0.00 N ATOM 807 CA PHE A 54 1.371 -9.221 -0.073 1.00 0.00 C ATOM 808 C PHE A 54 2.482 -8.207 0.183 1.00 0.00 C ATOM 809 O PHE A 54 3.592 -8.571 0.570 1.00 0.00 O ATOM 810 CB PHE A 54 0.331 -9.148 1.047 1.00 0.00 C ATOM 811 CG PHE A 54 0.172 -7.772 1.628 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.098 -7.277 2.532 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.902 -6.974 1.271 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.954 -6.011 3.069 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.051 -5.707 1.804 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.121 -5.225 2.704 1.00 0.00 C ATOM 0 HA PHE A 54 0.892 -8.977 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.631 -9.484 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.615 -9.839 1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.942 -7.887 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.632 -7.346 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.682 -5.637 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.893 -5.095 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.234 -4.235 3.121 1.00 0.00 H new ATOM 826 N ALA A 55 2.175 -6.933 -0.038 1.00 0.00 N ATOM 827 CA ALA A 55 3.146 -5.866 0.169 1.00 0.00 C ATOM 828 C ALA A 55 2.456 -4.567 0.571 1.00 0.00 C ATOM 829 O ALA A 55 1.280 -4.358 0.271 1.00 0.00 O ATOM 830 CB ALA A 55 3.977 -5.658 -1.088 1.00 0.00 C ATOM 0 H ALA A 55 1.261 -6.615 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 55 3.807 -6.162 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.698 -4.858 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.507 -6.579 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.322 -5.387 -1.916 1.00 0.00 H new ATOM 836 N PHE A 56 3.194 -3.696 1.251 1.00 0.00 N ATOM 837 CA PHE A 56 2.652 -2.418 1.696 1.00 0.00 C ATOM 838 C PHE A 56 3.239 -1.267 0.884 1.00 0.00 C ATOM 839 O PHE A 56 4.450 -1.194 0.674 1.00 0.00 O ATOM 840 CB PHE A 56 2.942 -2.207 3.184 1.00 0.00 C ATOM 841 CG PHE A 56 1.844 -2.697 4.083 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.562 -2.182 3.978 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.094 -3.673 5.035 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.451 -2.632 4.804 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.085 -4.127 5.863 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.188 -3.605 5.749 1.00 0.00 C ATOM 0 H PHE A 56 4.169 -3.852 1.506 1.00 0.00 H new ATOM 0 HA PHE A 56 1.573 -2.436 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.868 -2.720 3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.104 -1.145 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.352 -1.420 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.088 -4.083 5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.446 -2.224 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.292 -4.890 6.599 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.977 -3.957 6.397 1.00 0.00 H new ATOM 856 N VAL A 57 2.371 -0.369 0.429 1.00 0.00 N ATOM 857 CA VAL A 57 2.801 0.780 -0.360 1.00 0.00 C ATOM 858 C VAL A 57 2.484 2.088 0.356 1.00 0.00 C ATOM 859 O VAL A 57 1.329 2.506 0.421 1.00 0.00 O ATOM 860 CB VAL A 57 2.132 0.791 -1.747 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.854 1.750 -2.681 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.098 -0.613 -2.333 1.00 0.00 C ATOM 0 H VAL A 57 1.365 -0.415 0.593 1.00 0.00 H new ATOM 0 HA VAL A 57 3.880 0.691 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 57 1.105 1.138 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.367 1.744 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.821 2.757 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.892 1.437 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.622 -0.587 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.116 -0.990 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.532 -1.269 -1.672 1.00 0.00 H new ATOM 872 N GLU A 58 3.519 2.730 0.890 1.00 0.00 N ATOM 873 CA GLU A 58 3.349 3.991 1.602 1.00 0.00 C ATOM 874 C GLU A 58 3.359 5.169 0.631 1.00 0.00 C ATOM 875 O GLU A 58 4.308 5.352 -0.131 1.00 0.00 O ATOM 876 CB GLU A 58 4.455 4.167 2.645 1.00 0.00 C ATOM 877 CG GLU A 58 4.106 5.158 3.742 1.00 0.00 C ATOM 878 CD GLU A 58 5.326 5.863 4.301 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.059 6.495 3.512 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.548 5.783 5.527 1.00 0.00 O ATOM 0 H GLU A 58 4.482 2.398 0.843 1.00 0.00 H new ATOM 0 HA GLU A 58 2.384 3.966 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.673 3.200 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.365 4.498 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.411 5.900 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.592 4.635 4.548 1.00 0.00 H new ATOM 887 N TYR A 59 2.295 5.964 0.665 1.00 0.00 N ATOM 888 CA TYR A 59 2.179 7.122 -0.213 1.00 0.00 C ATOM 889 C TYR A 59 2.391 8.418 0.563 1.00 0.00 C ATOM 890 O TYR A 59 1.942 8.553 1.701 1.00 0.00 O ATOM 891 CB TYR A 59 0.807 7.139 -0.890 1.00 0.00 C ATOM 892 CG TYR A 59 0.593 5.994 -1.854 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.301 4.716 -1.392 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.682 6.189 -3.227 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.106 3.667 -2.269 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.487 5.146 -4.111 1.00 0.00 C ATOM 897 CZ TYR A 59 0.199 3.887 -3.627 1.00 0.00 C ATOM 898 OH TYR A 59 0.004 2.845 -4.504 1.00 0.00 O ATOM 0 H TYR A 59 1.501 5.828 1.291 1.00 0.00 H new ATOM 0 HA TYR A 59 2.953 7.046 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.033 7.107 -0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.687 8.081 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.225 4.540 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.908 7.173 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.118 2.680 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.560 5.315 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 59 0.254 3.128 -5.409 1.00 0.00 H new ATOM 908 N GLU A 60 3.079 9.368 -0.061 1.00 0.00 N ATOM 909 CA GLU A 60 3.352 10.654 0.571 1.00 0.00 C ATOM 910 C GLU A 60 2.063 11.447 0.767 1.00 0.00 C ATOM 911 O GLU A 60 1.787 11.942 1.860 1.00 0.00 O ATOM 912 CB GLU A 60 4.339 11.463 -0.273 1.00 0.00 C ATOM 913 CG GLU A 60 3.842 11.752 -1.680 1.00 0.00 C ATOM 914 CD GLU A 60 4.891 12.429 -2.541 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.756 11.718 -3.093 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.845 13.671 -2.663 1.00 0.00 O ATOM 0 H GLU A 60 3.458 9.272 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 60 3.794 10.464 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.547 12.407 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.282 10.920 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.537 10.818 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.957 12.386 -1.626 1.00 0.00 H new ATOM 923 N SER A 61 1.279 11.565 -0.299 1.00 0.00 N ATOM 924 CA SER A 61 0.022 12.302 -0.246 1.00 0.00 C ATOM 925 C SER A 61 -1.125 11.389 0.177 1.00 0.00 C ATOM 926 O SER A 61 -1.445 10.417 -0.507 1.00 0.00 O ATOM 927 CB SER A 61 -0.285 12.927 -1.608 1.00 0.00 C ATOM 928 OG SER A 61 -1.485 13.679 -1.566 1.00 0.00 O ATOM 0 H SER A 61 1.492 11.160 -1.210 1.00 0.00 H new ATOM 0 HA SER A 61 0.125 13.095 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.541 13.571 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.370 12.143 -2.360 1.00 0.00 H new ATOM 0 HG SER A 61 -1.658 14.069 -2.448 1.00 0.00 H new ATOM 934 N HIS A 62 -1.741 11.710 1.310 1.00 0.00 N ATOM 935 CA HIS A 62 -2.854 10.921 1.826 1.00 0.00 C ATOM 936 C HIS A 62 -3.826 10.557 0.708 1.00 0.00 C ATOM 937 O HIS A 62 -4.423 9.481 0.717 1.00 0.00 O ATOM 938 CB HIS A 62 -3.586 11.690 2.926 1.00 0.00 C ATOM 939 CG HIS A 62 -4.961 11.167 3.209 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.227 9.832 3.429 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.149 11.807 3.311 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.519 9.673 3.651 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.101 10.857 3.586 1.00 0.00 N ATOM 0 H HIS A 62 -1.488 12.511 1.889 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.450 10.000 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.995 11.649 3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.657 12.739 2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.317 12.868 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.015 8.735 3.852 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.096 11.036 3.719 1.00 0.00 H new ATOM 951 N ARG A 63 -3.982 11.463 -0.252 1.00 0.00 N ATOM 952 CA ARG A 63 -4.883 11.239 -1.375 1.00 0.00 C ATOM 953 C ARG A 63 -4.260 10.285 -2.390 1.00 0.00 C ATOM 954 O ARG A 63 -4.921 9.374 -2.888 1.00 0.00 O ATOM 955 CB ARG A 63 -5.229 12.566 -2.052 1.00 0.00 C ATOM 956 CG ARG A 63 -5.983 12.403 -3.362 1.00 0.00 C ATOM 957 CD ARG A 63 -7.464 12.155 -3.126 1.00 0.00 C ATOM 958 NE ARG A 63 -8.191 13.393 -2.857 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.335 13.442 -2.184 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.880 12.329 -1.713 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.936 14.607 -1.979 1.00 0.00 N ATOM 0 H ARG A 63 -3.496 12.359 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.797 10.787 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.830 13.167 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.309 13.120 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.856 13.299 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.559 11.572 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.893 11.665 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.588 11.472 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.799 14.268 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.421 11.431 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.759 12.370 -1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.519 15.466 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.815 14.644 -1.462 1.00 0.00 H new ATOM 975 N ALA A 64 -2.984 10.502 -2.693 1.00 0.00 N ATOM 976 CA ALA A 64 -2.272 9.661 -3.647 1.00 0.00 C ATOM 977 C ALA A 64 -2.590 8.187 -3.425 1.00 0.00 C ATOM 978 O ALA A 64 -2.608 7.397 -4.368 1.00 0.00 O ATOM 979 CB ALA A 64 -0.773 9.901 -3.545 1.00 0.00 C ATOM 0 H ALA A 64 -2.423 11.253 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.605 9.930 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.253 9.267 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.556 10.947 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.434 9.662 -2.537 1.00 0.00 H new ATOM 985 N ALA A 65 -2.841 7.823 -2.171 1.00 0.00 N ATOM 986 CA ALA A 65 -3.160 6.443 -1.826 1.00 0.00 C ATOM 987 C ALA A 65 -4.648 6.162 -2.008 1.00 0.00 C ATOM 988 O ALA A 65 -5.031 5.123 -2.544 1.00 0.00 O ATOM 989 CB ALA A 65 -2.736 6.146 -0.395 1.00 0.00 C ATOM 0 H ALA A 65 -2.830 8.464 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.608 5.788 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.980 5.112 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.661 6.299 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.262 6.814 0.287 1.00 0.00 H new ATOM 995 N ALA A 66 -5.481 7.094 -1.557 1.00 0.00 N ATOM 996 CA ALA A 66 -6.926 6.946 -1.672 1.00 0.00 C ATOM 997 C ALA A 66 -7.350 6.810 -3.131 1.00 0.00 C ATOM 998 O ALA A 66 -8.121 5.918 -3.482 1.00 0.00 O ATOM 999 CB ALA A 66 -7.631 8.128 -1.023 1.00 0.00 C ATOM 0 H ALA A 66 -5.180 7.959 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.216 6.034 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.710 8.004 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.361 8.178 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.327 9.050 -1.519 1.00 0.00 H new ATOM 1005 N MET A 67 -6.842 7.702 -3.975 1.00 0.00 N ATOM 1006 CA MET A 67 -7.169 7.681 -5.396 1.00 0.00 C ATOM 1007 C MET A 67 -6.376 6.597 -6.120 1.00 0.00 C ATOM 1008 O MET A 67 -6.678 6.253 -7.262 1.00 0.00 O ATOM 1009 CB MET A 67 -6.884 9.045 -6.027 1.00 0.00 C ATOM 1010 CG MET A 67 -5.415 9.435 -5.994 1.00 0.00 C ATOM 1011 SD MET A 67 -4.984 10.632 -7.271 1.00 0.00 S ATOM 1012 CE MET A 67 -3.206 10.713 -7.075 1.00 0.00 C ATOM 0 H MET A 67 -6.203 8.448 -3.700 1.00 0.00 H new ATOM 0 HA MET A 67 -8.231 7.458 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.226 9.036 -7.062 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.465 9.806 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.176 9.852 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.803 8.541 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.753 11.063 -8.003 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.960 11.404 -6.268 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.821 9.722 -6.834 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.362 6.063 -5.447 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.528 5.017 -6.026 1.00 0.00 C ATOM 1024 C ALA A 68 -5.194 3.651 -5.900 1.00 0.00 C ATOM 1025 O ALA A 68 -4.903 2.735 -6.670 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.160 5.003 -5.359 1.00 0.00 C ATOM 0 H ALA A 68 -5.098 6.337 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.401 5.234 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.548 4.217 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.674 5.968 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.277 4.814 -4.292 1.00 0.00 H new ATOM 1032 N ARG A 69 -6.088 3.521 -4.926 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.793 2.266 -4.698 1.00 0.00 C ATOM 1034 C ARG A 69 -8.042 2.178 -5.571 1.00 0.00 C ATOM 1035 O ARG A 69 -8.355 1.122 -6.120 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.179 2.132 -3.224 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.824 3.382 -2.647 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.514 3.093 -1.324 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.858 2.555 -1.514 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.906 3.298 -1.851 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.766 4.603 -2.036 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.098 2.735 -2.006 1.00 0.00 N ATOM 0 H ARG A 69 -6.341 4.270 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.123 1.449 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.867 1.294 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.288 1.893 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.065 4.151 -2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.549 3.780 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.917 2.383 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.570 4.009 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.000 1.554 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.851 5.039 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.573 5.171 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.210 1.731 -1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.902 3.307 -2.265 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.751 3.296 -5.694 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.966 3.345 -6.499 1.00 0.00 C ATOM 1058 C ARG A 70 -9.670 2.991 -7.953 1.00 0.00 C ATOM 1059 O ARG A 70 -10.583 2.789 -8.753 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.600 4.735 -6.419 1.00 0.00 C ATOM 1061 CG ARG A 70 -10.090 5.698 -7.478 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.748 7.063 -7.353 1.00 0.00 C ATOM 1063 NE ARG A 70 -11.980 7.151 -8.131 1.00 0.00 N ATOM 1064 CZ ARG A 70 -12.955 8.014 -7.869 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -12.842 8.859 -6.854 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -14.047 8.033 -8.624 1.00 0.00 N ATOM 0 H ARG A 70 -8.505 4.179 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.666 2.611 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.681 4.638 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.407 5.157 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.009 5.804 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.286 5.288 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.967 7.265 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.052 7.833 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.099 6.515 -8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.005 8.848 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.592 9.521 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.138 7.384 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.795 8.696 -8.422 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.386 2.919 -8.290 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.968 2.590 -9.647 1.00 0.00 C ATOM 1082 C LYS A 71 -7.665 1.101 -9.777 1.00 0.00 C ATOM 1083 O LYS A 71 -7.912 0.495 -10.821 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.733 3.408 -10.035 1.00 0.00 C ATOM 1085 CG LYS A 71 -6.162 3.039 -11.393 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.849 3.757 -11.659 1.00 0.00 C ATOM 1087 CE LYS A 71 -4.253 3.350 -12.997 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.864 4.101 -14.128 1.00 0.00 N ATOM 0 H LYS A 71 -7.617 3.084 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.787 2.837 -10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.994 4.466 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.963 3.270 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.005 1.961 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.881 3.292 -12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.013 4.835 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.142 3.532 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.177 3.525 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.400 2.281 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.431 3.795 -15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.887 3.914 -14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.702 5.120 -13.996 1.00 0.00 H new ATOM 1102 N LEU A 72 -7.131 0.515 -8.711 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.797 -0.905 -8.705 1.00 0.00 C ATOM 1104 C LEU A 72 -7.847 -1.709 -7.946 1.00 0.00 C ATOM 1105 O LEU A 72 -7.725 -2.924 -7.797 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.419 -1.122 -8.076 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.358 -0.072 -8.406 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.199 -0.158 -7.425 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.863 -0.243 -9.835 1.00 0.00 C ATOM 0 H LEU A 72 -6.920 1.001 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.778 -1.252 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.538 -1.161 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.047 -2.097 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.812 0.915 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.454 0.597 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.565 0.015 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.746 -1.148 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.108 0.513 -10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.427 -1.235 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.699 -0.130 -10.526 1.00 0.00 H new ATOM 1121 N MET A 73 -8.880 -1.022 -7.469 1.00 0.00 N ATOM 1122 CA MET A 73 -9.954 -1.673 -6.728 1.00 0.00 C ATOM 1123 C MET A 73 -10.721 -2.642 -7.622 1.00 0.00 C ATOM 1124 O MET A 73 -10.921 -3.810 -7.285 1.00 0.00 O ATOM 1125 CB MET A 73 -10.911 -0.628 -6.151 1.00 0.00 C ATOM 1126 CG MET A 73 -11.466 -1.002 -4.785 1.00 0.00 C ATOM 1127 SD MET A 73 -12.375 -2.558 -4.807 1.00 0.00 S ATOM 1128 CE MET A 73 -11.216 -3.639 -3.972 1.00 0.00 C ATOM 0 H MET A 73 -8.996 -0.015 -7.582 1.00 0.00 H new ATOM 0 HA MET A 73 -9.507 -2.237 -5.909 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.390 0.327 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.740 -0.484 -6.844 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.645 -1.075 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.123 -0.207 -4.434 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.740 -4.523 -3.608 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.435 -3.942 -4.669 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.767 -3.111 -3.131 1.00 0.00 H new ATOM 1138 N PRO A 74 -11.162 -2.150 -8.790 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.914 -2.957 -9.756 1.00 0.00 C ATOM 1140 C PRO A 74 -11.048 -4.022 -10.420 1.00 0.00 C ATOM 1141 O PRO A 74 -11.505 -4.745 -11.304 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.382 -1.928 -10.788 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.390 -0.820 -10.696 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.960 -0.768 -9.256 1.00 0.00 C ATOM 0 HA PRO A 74 -12.727 -3.507 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.406 -2.356 -11.790 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.390 -1.576 -10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.538 -1.003 -11.351 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.833 0.127 -11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.919 -0.459 -9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.558 -0.059 -8.683 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.794 -4.113 -9.987 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.885 -5.094 -10.551 1.00 0.00 C ATOM 1154 C GLY A 75 -8.621 -4.860 -12.025 1.00 0.00 C ATOM 1155 O GLY A 75 -8.369 -5.803 -12.775 1.00 0.00 O ATOM 0 H GLY A 75 -9.392 -3.526 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.941 -5.065 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.301 -6.092 -10.414 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.680 -3.599 -12.442 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.448 -3.244 -13.837 1.00 0.00 C ATOM 1161 C ARG A 76 -6.985 -3.454 -14.215 1.00 0.00 C ATOM 1162 O ARG A 76 -6.675 -3.858 -15.336 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.848 -1.789 -14.088 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.308 -1.497 -13.783 1.00 0.00 C ATOM 1165 CD ARG A 76 -11.191 -1.742 -14.997 1.00 0.00 C ATOM 1166 NE ARG A 76 -11.013 -0.714 -16.019 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.931 -0.422 -16.934 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -13.083 -1.076 -16.955 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -11.695 0.527 -17.832 1.00 0.00 N ATOM 0 H ARG A 76 -8.886 -2.807 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.063 -3.895 -14.459 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.221 -1.138 -13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.647 -1.540 -15.130 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.641 -2.125 -12.957 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.413 -0.462 -13.458 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.961 -2.719 -15.422 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.236 -1.768 -14.686 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.137 -0.192 -16.031 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.267 -1.806 -16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.785 -0.849 -17.659 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.809 1.032 -17.819 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.400 0.751 -18.534 1.00 0.00 H new ATOM 1183 N ILE A 77 -6.090 -3.175 -13.274 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.660 -3.334 -13.508 1.00 0.00 C ATOM 1185 C ILE A 77 -4.127 -4.589 -12.826 1.00 0.00 C ATOM 1186 O ILE A 77 -4.601 -4.976 -11.759 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.868 -2.113 -13.004 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.257 -0.863 -13.795 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.373 -2.371 -13.111 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.401 -0.089 -13.179 1.00 0.00 C ATOM 0 H ILE A 77 -6.330 -2.838 -12.342 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.525 -3.425 -14.586 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.114 -1.947 -11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.389 -0.209 -13.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.531 -1.155 -14.809 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.827 -1.499 -12.751 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.109 -3.239 -12.507 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.110 -2.560 -14.152 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.622 0.784 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.283 -0.727 -13.123 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.123 0.234 -12.176 1.00 0.00 H new ATOM 1202 N GLN A 78 -3.137 -5.220 -13.450 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.538 -6.431 -12.902 1.00 0.00 C ATOM 1204 C GLN A 78 -1.034 -6.260 -12.718 1.00 0.00 C ATOM 1205 O GLN A 78 -0.422 -5.373 -13.316 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.820 -7.623 -13.818 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.301 -7.887 -14.036 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.875 -8.862 -13.027 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.581 -10.057 -13.064 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.700 -8.356 -12.118 1.00 0.00 N ATOM 0 H GLN A 78 -2.733 -4.913 -14.335 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.985 -6.618 -11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.345 -7.449 -14.783 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.360 -8.514 -13.392 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.847 -6.945 -13.976 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.452 -8.280 -15.042 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.916 -7.359 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.118 -8.964 -11.414 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.444 -7.112 -11.888 1.00 0.00 N ATOM 1220 CA LEU A 79 0.990 -7.055 -11.625 1.00 0.00 C ATOM 1221 C LEU A 79 1.678 -8.340 -12.076 1.00 0.00 C ATOM 1222 O LEU A 79 1.380 -9.424 -11.576 1.00 0.00 O ATOM 1223 CB LEU A 79 1.246 -6.823 -10.135 1.00 0.00 C ATOM 1224 CG LEU A 79 0.906 -5.430 -9.605 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.306 -5.302 -8.143 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.591 -4.359 -10.442 1.00 0.00 C ATOM 0 H LEU A 79 -0.936 -7.851 -11.385 1.00 0.00 H new ATOM 0 HA LEU A 79 1.406 -6.223 -12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.670 -7.556 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.299 -7.020 -9.933 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.172 -5.288 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.056 -4.304 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.770 -6.045 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.379 -5.465 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.338 -3.374 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.671 -4.500 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.255 -4.436 -11.476 1.00 0.00 H new ATOM 1238 N TRP A 80 2.600 -8.209 -13.023 1.00 0.00 N ATOM 1239 CA TRP A 80 3.333 -9.359 -13.540 1.00 0.00 C ATOM 1240 C TRP A 80 2.375 -10.453 -13.998 1.00 0.00 C ATOM 1241 O TRP A 80 2.565 -11.628 -13.688 1.00 0.00 O ATOM 1242 CB TRP A 80 4.281 -9.908 -12.473 1.00 0.00 C ATOM 1243 CG TRP A 80 5.102 -8.847 -11.805 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.184 -8.199 -12.329 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.909 -8.314 -10.491 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.676 -7.294 -11.418 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.910 -7.345 -10.283 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.987 -8.559 -9.470 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.014 -6.624 -9.096 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.091 -7.843 -8.292 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.098 -6.885 -8.114 1.00 0.00 C ATOM 0 H TRP A 80 2.858 -7.318 -13.448 1.00 0.00 H new ATOM 0 HA TRP A 80 3.917 -9.030 -14.399 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.699 -10.436 -11.718 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.948 -10.639 -12.931 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.593 -8.372 -13.314 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.480 -6.684 -11.564 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.207 -9.295 -9.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.790 -5.886 -8.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.384 -8.025 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.152 -6.341 -7.182 1.00 0.00 H new ATOM 1262 N GLY A 81 1.343 -10.059 -14.739 1.00 0.00 N ATOM 1263 CA GLY A 81 0.371 -11.019 -15.228 1.00 0.00 C ATOM 1264 C GLY A 81 -0.413 -11.672 -14.107 1.00 0.00 C ATOM 1265 O GLY A 81 -1.191 -12.598 -14.341 1.00 0.00 O ATOM 0 H GLY A 81 1.163 -9.092 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.320 -10.519 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.884 -11.789 -15.805 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.209 -11.190 -12.885 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.903 -11.733 -11.723 1.00 0.00 C ATOM 1271 C HIS A 82 -1.945 -10.748 -11.203 1.00 0.00 C ATOM 1272 O HIS A 82 -1.739 -9.536 -11.240 1.00 0.00 O ATOM 1273 CB HIS A 82 0.097 -12.067 -10.616 1.00 0.00 C ATOM 1274 CG HIS A 82 0.941 -13.269 -10.913 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.416 -13.748 -12.086 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.389 -14.133 -9.937 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.137 -14.881 -11.801 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.106 -15.092 -10.497 1.00 0.00 N flip ATOM 0 H HIS A 82 0.431 -10.425 -12.674 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.413 -12.646 -12.029 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.748 -11.208 -10.454 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.446 -12.235 -9.686 1.00 0.00 H new ATOM 0 HD1 HIS A 82 1.266 -13.343 -13.010 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.186 -14.041 -8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.647 -15.499 -12.525 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.064 -11.279 -10.719 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.139 -10.445 -10.193 1.00 0.00 C ATOM 1288 C GLN A 83 -3.723 -9.783 -8.883 1.00 0.00 C ATOM 1289 O GLN A 83 -2.928 -10.336 -8.123 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.402 -11.281 -9.977 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.523 -10.522 -9.286 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.867 -11.209 -9.428 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.141 -12.207 -8.760 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.714 -10.677 -10.301 1.00 0.00 N ATOM 0 H GLN A 83 -3.250 -12.281 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.349 -9.663 -10.923 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.759 -11.641 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.149 -12.159 -9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.285 -10.413 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.587 -9.517 -9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.445 -9.849 -10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.634 -11.096 -10.440 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.265 -8.597 -8.628 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.951 -7.861 -7.410 1.00 0.00 C ATOM 1305 C ILE A 84 -5.177 -7.126 -6.880 1.00 0.00 C ATOM 1306 O ILE A 84 -6.074 -6.764 -7.641 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.818 -6.844 -7.643 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -3.099 -6.013 -8.897 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.481 -7.560 -7.765 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.922 -4.773 -8.627 1.00 0.00 C ATOM 0 H ILE A 84 -4.923 -8.126 -9.248 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.624 -8.595 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.772 -6.171 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.151 -5.719 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.620 -6.634 -9.626 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.690 -6.828 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.279 -8.113 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.515 -8.253 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.083 -4.233 -9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.885 -5.060 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.393 -4.131 -7.923 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.208 -6.907 -5.569 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.323 -6.211 -4.937 1.00 0.00 C ATOM 1324 C ALA A 85 -5.825 -5.161 -3.950 1.00 0.00 C ATOM 1325 O ALA A 85 -4.885 -5.402 -3.193 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.237 -7.205 -4.237 1.00 0.00 C ATOM 0 H ALA A 85 -4.474 -7.201 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.889 -5.700 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.065 -6.672 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.628 -7.915 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.674 -7.742 -3.473 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.462 -3.994 -3.963 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.084 -2.907 -3.069 1.00 0.00 C ATOM 1334 C VAL A 86 -7.118 -2.720 -1.964 1.00 0.00 C ATOM 1335 O VAL A 86 -8.321 -2.692 -2.224 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.922 -1.580 -3.834 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.690 -1.626 -4.726 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.170 -1.280 -4.650 1.00 0.00 C ATOM 0 H VAL A 86 -7.242 -3.778 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.127 -3.181 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.788 -0.777 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.591 -0.680 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.804 -1.792 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.792 -2.439 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.038 -0.339 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.338 -2.084 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.030 -1.202 -3.985 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.641 -2.591 -0.731 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.524 -2.404 0.415 1.00 0.00 C ATOM 1350 C ASP A 87 -7.004 -1.297 1.327 1.00 0.00 C ATOM 1351 O ASP A 87 -5.846 -0.892 1.229 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.657 -3.710 1.201 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.805 -4.568 0.709 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -8.919 -4.757 -0.520 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.590 -5.050 1.552 1.00 0.00 O ATOM 0 H ASP A 87 -5.648 -2.612 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.506 -2.111 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.727 -4.273 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.804 -3.482 2.257 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.868 -0.813 2.212 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.496 0.248 3.141 1.00 0.00 C ATOM 1362 C TRP A 88 -6.713 -0.313 4.322 1.00 0.00 C ATOM 1363 O TRP A 88 -7.256 -1.047 5.147 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.745 0.977 3.640 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.128 2.149 2.789 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.310 2.331 2.128 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.327 3.302 2.506 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.291 3.526 1.451 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.086 4.141 1.667 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.043 3.707 2.881 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.602 5.359 1.198 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.564 4.916 2.414 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.342 5.731 1.581 1.00 0.00 C ATOM 0 H TRP A 88 -8.830 -1.138 2.306 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.859 0.955 2.611 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.578 0.274 3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.574 1.319 4.661 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.138 1.637 2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.051 3.896 0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.436 3.086 3.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.200 5.988 0.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.573 5.238 2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.939 6.671 1.234 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.433 0.039 4.399 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.576 -0.428 5.482 1.00 0.00 C ATOM 1386 C ALA A 89 -5.039 0.125 6.826 1.00 0.00 C ATOM 1387 O ALA A 89 -5.278 -0.629 7.768 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.130 -0.035 5.217 1.00 0.00 C ATOM 0 H ALA A 89 -4.967 0.646 3.724 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.644 -1.515 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.501 -0.390 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.797 -0.483 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.055 1.050 5.147 1.00 0.00 H new