USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -0.0252 K(o=-0.074,f=1) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.0486 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -142:sc= 0.0725 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.6!) USER MOD Set 3.1: A 29 CYS SG : rot 93:sc= -2.44! USER MOD Set 3.2: A 115 MET CE :methyl -133:sc= -0.629 (180deg=-3.79!) USER MOD Single : A 2 SER OG : rot 33:sc= 0.658 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.005) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 52 MET CE :methyl -163:sc= -0.0538 (180deg=-0.555) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00765 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 65 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.99) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.09) USER MOD Single : A 83 SER OG : rot -170:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00231 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 96 CYS SG : rot 63:sc= 0.417 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc= -0.0463 (180deg=-0.0968) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= -1.13 (180deg=-1.52) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 157:sc= 0 (180deg=-0.611) USER MOD Single : A 118 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.88) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.236 -21.192 6.795 1.00 0.00 N ATOM 84 CA SER A 2 -0.720 -20.420 5.656 1.00 0.00 C ATOM 85 C SER A 2 0.108 -19.153 5.467 1.00 0.00 C ATOM 86 O SER A 2 0.052 -18.215 6.262 1.00 0.00 O ATOM 87 CB SER A 2 -2.194 -20.056 5.850 1.00 0.00 C ATOM 88 OG SER A 2 -2.377 -19.277 7.020 1.00 0.00 O ATOM 0 HA SER A 2 -0.619 -21.035 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.553 -19.504 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.791 -20.966 5.918 1.00 0.00 H new ATOM 0 HG SER A 2 -1.592 -18.708 7.160 1.00 0.00 H new ATOM 94 N PRO A 3 0.900 -19.121 4.385 1.00 0.00 N ATOM 95 CA PRO A 3 1.712 -17.921 4.167 1.00 0.00 C ATOM 96 C PRO A 3 0.866 -16.711 3.783 1.00 0.00 C ATOM 97 O PRO A 3 -0.012 -16.802 2.925 1.00 0.00 O ATOM 98 CB PRO A 3 2.631 -18.319 3.009 1.00 0.00 C ATOM 99 CG PRO A 3 1.886 -19.386 2.284 1.00 0.00 C ATOM 100 CD PRO A 3 1.103 -20.129 3.331 1.00 0.00 C ATOM 0 HA PRO A 3 2.246 -17.621 5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.839 -17.469 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.591 -18.684 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.223 -18.957 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.571 -20.054 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.155 -20.496 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.651 -20.995 3.703 1.00 0.00 H new ATOM 108 N PHE A 4 1.138 -15.578 4.423 1.00 0.00 N ATOM 109 CA PHE A 4 0.401 -14.350 4.148 1.00 0.00 C ATOM 110 C PHE A 4 1.332 -13.266 3.613 1.00 0.00 C ATOM 111 O PHE A 4 2.550 -13.338 3.782 1.00 0.00 O ATOM 112 CB PHE A 4 -0.299 -13.856 5.416 1.00 0.00 C ATOM 113 CG PHE A 4 0.641 -13.279 6.435 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.369 -14.108 7.273 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.798 -11.908 6.554 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.234 -13.580 8.212 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.662 -11.374 7.491 1.00 0.00 C ATOM 118 CZ PHE A 4 2.382 -12.211 8.321 1.00 0.00 C ATOM 0 H PHE A 4 1.863 -15.485 5.135 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.349 -14.568 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.035 -13.100 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.845 -14.685 5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.259 -15.179 7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.239 -11.249 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.794 -14.237 8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.774 -10.303 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.059 -11.796 9.053 1.00 0.00 H new ATOM 128 N LEU A 5 0.751 -12.261 2.968 1.00 0.00 N ATOM 129 CA LEU A 5 1.527 -11.160 2.407 1.00 0.00 C ATOM 130 C LEU A 5 1.334 -9.886 3.223 1.00 0.00 C ATOM 131 O LEU A 5 0.208 -9.511 3.549 1.00 0.00 O ATOM 132 CB LEU A 5 1.122 -10.914 0.952 1.00 0.00 C ATOM 133 CG LEU A 5 1.905 -11.696 -0.104 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.282 -11.507 -1.478 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.364 -11.265 -0.114 1.00 0.00 C ATOM 0 H LEU A 5 -0.255 -12.185 2.820 1.00 0.00 H new ATOM 0 HA LEU A 5 2.581 -11.436 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.065 -11.156 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.229 -9.850 0.741 1.00 0.00 H new ATOM 0 HG LEU A 5 1.862 -12.755 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.852 -12.070 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.253 -11.866 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.294 -10.449 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.906 -11.832 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.428 -10.201 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.806 -11.453 0.865 1.00 0.00 H new ATOM 147 N ARG A 6 2.440 -9.225 3.548 1.00 0.00 N ATOM 148 CA ARG A 6 2.392 -7.992 4.325 1.00 0.00 C ATOM 149 C ARG A 6 2.766 -6.791 3.461 1.00 0.00 C ATOM 150 O ARG A 6 3.944 -6.472 3.301 1.00 0.00 O ATOM 151 CB ARG A 6 3.336 -8.084 5.525 1.00 0.00 C ATOM 152 CG ARG A 6 3.511 -6.768 6.264 1.00 0.00 C ATOM 153 CD ARG A 6 3.863 -6.992 7.727 1.00 0.00 C ATOM 154 NE ARG A 6 2.802 -7.695 8.443 1.00 0.00 N ATOM 155 CZ ARG A 6 2.968 -8.258 9.635 1.00 0.00 C ATOM 156 NH1 ARG A 6 4.146 -8.200 10.241 1.00 0.00 N ATOM 157 NH2 ARG A 6 1.954 -8.879 10.223 1.00 0.00 N ATOM 0 H ARG A 6 3.380 -9.522 3.286 1.00 0.00 H new ATOM 0 HA ARG A 6 1.372 -7.857 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.955 -8.833 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.311 -8.432 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.296 -6.183 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.592 -6.186 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.787 -7.566 7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.049 -6.031 8.207 1.00 0.00 H new ATOM 0 HE ARG A 6 1.883 -7.757 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.927 -7.722 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.271 -8.633 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.046 -8.925 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.082 -9.311 11.138 1.00 0.00 H new ATOM 171 N ILE A 7 1.755 -6.129 2.908 1.00 0.00 N ATOM 172 CA ILE A 7 1.977 -4.963 2.062 1.00 0.00 C ATOM 173 C ILE A 7 1.963 -3.678 2.883 1.00 0.00 C ATOM 174 O ILE A 7 1.135 -3.509 3.777 1.00 0.00 O ATOM 175 CB ILE A 7 0.914 -4.862 0.953 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.924 -6.125 0.089 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.157 -3.627 0.097 1.00 0.00 C ATOM 178 CD1 ILE A 7 0.002 -7.211 0.597 1.00 0.00 C ATOM 0 H ILE A 7 0.774 -6.380 3.031 1.00 0.00 H new ATOM 0 HA ILE A 7 2.958 -5.088 1.603 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.067 -4.771 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.636 -5.862 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.941 -6.515 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.397 -3.569 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.104 -2.735 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.144 -3.691 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.060 -8.076 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.303 -7.502 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.022 -6.838 0.618 1.00 0.00 H new ATOM 190 N GLY A 8 2.887 -2.773 2.571 1.00 0.00 N ATOM 191 CA GLY A 8 2.962 -1.513 3.288 1.00 0.00 C ATOM 192 C GLY A 8 3.063 -0.322 2.357 1.00 0.00 C ATOM 193 O GLY A 8 3.966 -0.251 1.521 1.00 0.00 O ATOM 0 H GLY A 8 3.584 -2.890 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.079 -1.404 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.827 -1.527 3.951 1.00 0.00 H new ATOM 197 N LEU A 9 2.134 0.617 2.497 1.00 0.00 N ATOM 198 CA LEU A 9 2.121 1.812 1.660 1.00 0.00 C ATOM 199 C LEU A 9 2.814 2.976 2.362 1.00 0.00 C ATOM 200 O LEU A 9 2.823 3.057 3.590 1.00 0.00 O ATOM 201 CB LEU A 9 0.682 2.197 1.310 1.00 0.00 C ATOM 202 CG LEU A 9 -0.200 1.072 0.766 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.643 1.536 0.646 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.320 0.589 -0.580 1.00 0.00 C ATOM 0 H LEU A 9 1.380 0.574 3.182 1.00 0.00 H new ATOM 0 HA LEU A 9 2.665 1.589 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.208 2.603 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.711 2.998 0.572 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.165 0.238 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.256 0.723 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.013 1.832 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.696 2.387 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.320 -0.211 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.316 1.416 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.338 0.216 -0.464 1.00 0.00 H new ATOM 216 N SER A 10 3.392 3.876 1.572 1.00 0.00 N ATOM 217 CA SER A 10 4.089 5.035 2.117 1.00 0.00 C ATOM 218 C SER A 10 4.493 5.998 1.005 1.00 0.00 C ATOM 219 O SER A 10 4.501 5.637 -0.171 1.00 0.00 O ATOM 220 CB SER A 10 5.327 4.591 2.898 1.00 0.00 C ATOM 221 OG SER A 10 6.030 3.575 2.204 1.00 0.00 O ATOM 0 H SER A 10 3.391 3.825 0.553 1.00 0.00 H new ATOM 0 HA SER A 10 3.409 5.553 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.984 5.446 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.029 4.225 3.881 1.00 0.00 H new ATOM 0 HG SER A 10 6.818 3.310 2.723 1.00 0.00 H new ATOM 227 N ASN A 11 4.827 7.227 1.388 1.00 0.00 N ATOM 228 CA ASN A 11 5.232 8.243 0.424 1.00 0.00 C ATOM 229 C ASN A 11 4.131 8.488 -0.603 1.00 0.00 C ATOM 230 O ASN A 11 4.392 8.559 -1.805 1.00 0.00 O ATOM 231 CB ASN A 11 6.520 7.820 -0.285 1.00 0.00 C ATOM 232 CG ASN A 11 7.562 7.287 0.680 1.00 0.00 C ATOM 233 OD1 ASN A 11 8.074 8.020 1.526 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.881 6.004 0.556 1.00 0.00 N ATOM 0 H ASN A 11 4.825 7.542 2.358 1.00 0.00 H new ATOM 0 HA ASN A 11 5.412 9.171 0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.289 7.054 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.931 8.673 -0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.576 5.589 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.431 5.433 -0.160 1.00 0.00 H new ATOM 241 N PHE A 12 2.899 8.618 -0.122 1.00 0.00 N ATOM 242 CA PHE A 12 1.757 8.854 -0.998 1.00 0.00 C ATOM 243 C PHE A 12 1.776 10.280 -1.543 1.00 0.00 C ATOM 244 O PHE A 12 1.846 11.245 -0.783 1.00 0.00 O ATOM 245 CB PHE A 12 0.449 8.601 -0.246 1.00 0.00 C ATOM 246 CG PHE A 12 -0.778 8.906 -1.057 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.933 8.377 -2.328 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.775 9.722 -0.548 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.061 8.656 -3.077 1.00 0.00 C ATOM 250 CE2 PHE A 12 -2.906 10.004 -1.292 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.048 9.471 -2.559 1.00 0.00 C ATOM 0 H PHE A 12 2.666 8.564 0.870 1.00 0.00 H new ATOM 0 HA PHE A 12 1.825 8.161 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.416 7.558 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.436 9.208 0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.164 7.739 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.668 10.143 0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.170 8.237 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.677 10.640 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.929 9.691 -3.143 1.00 0.00 H new ATOM 261 N ASP A 13 1.712 10.402 -2.864 1.00 0.00 N ATOM 262 CA ASP A 13 1.721 11.709 -3.512 1.00 0.00 C ATOM 263 C ASP A 13 0.428 11.940 -4.287 1.00 0.00 C ATOM 264 O ASP A 13 0.130 11.225 -5.244 1.00 0.00 O ATOM 265 CB ASP A 13 2.922 11.827 -4.452 1.00 0.00 C ATOM 266 CG ASP A 13 3.031 13.202 -5.081 1.00 0.00 C ATOM 267 OD1 ASP A 13 2.314 13.460 -6.071 1.00 0.00 O ATOM 268 OD2 ASP A 13 3.833 14.020 -4.585 1.00 0.00 O ATOM 0 H ASP A 13 1.653 9.613 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 13 1.800 12.471 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.836 11.610 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.840 11.076 -5.238 1.00 0.00 H new ATOM 273 N CYS A 14 -0.337 12.941 -3.866 1.00 0.00 N ATOM 274 CA CYS A 14 -1.600 13.266 -4.520 1.00 0.00 C ATOM 275 C CYS A 14 -1.466 14.527 -5.367 1.00 0.00 C ATOM 276 O CYS A 14 -2.168 14.696 -6.363 1.00 0.00 O ATOM 277 CB CYS A 14 -2.704 13.451 -3.478 1.00 0.00 C ATOM 278 SG CYS A 14 -4.378 13.419 -4.162 1.00 0.00 S ATOM 0 H CYS A 14 -0.105 13.542 -3.075 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.865 12.437 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.615 12.666 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.550 14.401 -2.966 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.241 13.581 -3.204 1.00 0.00 H new ATOM 431 N PRO A 27 -7.511 12.372 4.081 1.00 0.00 N ATOM 432 CA PRO A 27 -7.923 11.362 3.103 1.00 0.00 C ATOM 433 C PRO A 27 -7.478 9.958 3.496 1.00 0.00 C ATOM 434 O PRO A 27 -6.483 9.786 4.201 1.00 0.00 O ATOM 435 CB PRO A 27 -7.220 11.805 1.817 1.00 0.00 C ATOM 436 CG PRO A 27 -6.037 12.583 2.282 1.00 0.00 C ATOM 437 CD PRO A 27 -6.461 13.261 3.555 1.00 0.00 C ATOM 0 HA PRO A 27 -9.008 11.301 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.919 10.948 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.876 12.415 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.183 11.928 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.732 13.314 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.630 13.359 4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.841 14.265 3.368 1.00 0.00 H new ATOM 445 N TYR A 28 -8.219 8.956 3.036 1.00 0.00 N ATOM 446 CA TYR A 28 -7.901 7.567 3.342 1.00 0.00 C ATOM 447 C TYR A 28 -7.887 6.719 2.073 1.00 0.00 C ATOM 448 O TYR A 28 -8.340 7.158 1.015 1.00 0.00 O ATOM 449 CB TYR A 28 -8.914 6.997 4.337 1.00 0.00 C ATOM 450 CG TYR A 28 -10.307 6.851 3.768 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.211 7.904 3.813 1.00 0.00 C ATOM 452 CD2 TYR A 28 -10.718 5.658 3.185 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.485 7.775 3.294 1.00 0.00 C ATOM 454 CE2 TYR A 28 -11.989 5.521 2.662 1.00 0.00 C ATOM 455 CZ TYR A 28 -12.869 6.581 2.720 1.00 0.00 C ATOM 456 OH TYR A 28 -14.137 6.447 2.202 1.00 0.00 O ATOM 0 H TYR A 28 -9.044 9.080 2.450 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.907 7.539 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.566 6.022 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.955 7.645 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.913 8.840 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.032 4.825 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.176 8.604 3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.292 4.588 2.210 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.246 5.545 1.834 1.00 0.00 H new ATOM 466 N CYS A 29 -7.364 5.504 2.188 1.00 0.00 N ATOM 467 CA CYS A 29 -7.289 4.593 1.051 1.00 0.00 C ATOM 468 C CYS A 29 -8.208 3.393 1.255 1.00 0.00 C ATOM 469 O CYS A 29 -8.256 2.812 2.339 1.00 0.00 O ATOM 470 CB CYS A 29 -5.850 4.119 0.844 1.00 0.00 C ATOM 471 SG CYS A 29 -4.859 5.207 -0.208 1.00 0.00 S ATOM 0 H CYS A 29 -6.986 5.126 3.057 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.617 5.133 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.365 4.030 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.867 3.122 0.404 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.228 6.069 0.532 1.00 0.00 H new ATOM 477 N ALA A 30 -8.936 3.027 0.205 1.00 0.00 N ATOM 478 CA ALA A 30 -9.853 1.896 0.269 1.00 0.00 C ATOM 479 C ALA A 30 -9.273 0.678 -0.443 1.00 0.00 C ATOM 480 O ALA A 30 -8.933 0.740 -1.624 1.00 0.00 O ATOM 481 CB ALA A 30 -11.198 2.272 -0.336 1.00 0.00 C ATOM 0 H ALA A 30 -8.908 3.497 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.998 1.637 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.873 1.418 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.625 3.108 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.060 2.560 -1.378 1.00 0.00 H new ATOM 487 N VAL A 31 -9.163 -0.429 0.284 1.00 0.00 N ATOM 488 CA VAL A 31 -8.624 -1.662 -0.277 1.00 0.00 C ATOM 489 C VAL A 31 -9.717 -2.711 -0.452 1.00 0.00 C ATOM 490 O VAL A 31 -10.064 -3.424 0.490 1.00 0.00 O ATOM 491 CB VAL A 31 -7.508 -2.243 0.611 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.960 -3.528 0.009 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.399 -1.221 0.809 1.00 0.00 C ATOM 0 H VAL A 31 -9.440 -0.497 1.263 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.207 -1.409 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.931 -2.480 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.173 -3.923 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.762 -4.261 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.552 -3.321 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.619 -1.648 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.977 -0.950 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.806 -0.331 1.289 1.00 0.00 H new ATOM 503 N LEU A 32 -10.257 -2.799 -1.662 1.00 0.00 N ATOM 504 CA LEU A 32 -11.311 -3.761 -1.962 1.00 0.00 C ATOM 505 C LEU A 32 -10.721 -5.111 -2.355 1.00 0.00 C ATOM 506 O LEU A 32 -9.745 -5.180 -3.103 1.00 0.00 O ATOM 507 CB LEU A 32 -12.204 -3.235 -3.087 1.00 0.00 C ATOM 508 CG LEU A 32 -12.828 -1.857 -2.860 1.00 0.00 C ATOM 509 CD1 LEU A 32 -11.901 -0.762 -3.366 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.185 -1.767 -3.542 1.00 0.00 C ATOM 0 H LEU A 32 -9.982 -2.215 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.912 -3.896 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.616 -3.199 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.007 -3.953 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.972 -1.716 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.361 0.211 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.952 -0.813 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.725 -0.899 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.614 -0.780 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.065 -1.929 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.849 -2.528 -3.132 1.00 0.00 H new ATOM 522 N VAL A 33 -11.320 -6.184 -1.849 1.00 0.00 N ATOM 523 CA VAL A 33 -10.856 -7.533 -2.150 1.00 0.00 C ATOM 524 C VAL A 33 -11.971 -8.373 -2.763 1.00 0.00 C ATOM 525 O VAL A 33 -12.920 -8.759 -2.080 1.00 0.00 O ATOM 526 CB VAL A 33 -10.330 -8.240 -0.886 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.695 -9.574 -1.247 1.00 0.00 C ATOM 528 CG2 VAL A 33 -9.340 -7.350 -0.151 1.00 0.00 C ATOM 0 H VAL A 33 -12.128 -6.145 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.042 -7.436 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.172 -8.433 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.329 -10.059 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.437 -10.212 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.863 -9.408 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.979 -7.865 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.499 -7.124 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.832 -6.422 0.141 1.00 0.00 H new ATOM 538 N LYS A 34 -11.849 -8.655 -4.056 1.00 0.00 N ATOM 539 CA LYS A 34 -12.844 -9.452 -4.763 1.00 0.00 C ATOM 540 C LYS A 34 -12.360 -10.886 -4.951 1.00 0.00 C ATOM 541 O LYS A 34 -11.177 -11.178 -4.779 1.00 0.00 O ATOM 542 CB LYS A 34 -13.156 -8.825 -6.124 1.00 0.00 C ATOM 543 CG LYS A 34 -13.638 -7.387 -6.035 1.00 0.00 C ATOM 544 CD LYS A 34 -12.477 -6.407 -6.068 1.00 0.00 C ATOM 545 CE LYS A 34 -12.956 -4.983 -6.301 1.00 0.00 C ATOM 546 NZ LYS A 34 -13.055 -4.662 -7.752 1.00 0.00 N ATOM 0 H LYS A 34 -11.070 -8.343 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.753 -9.470 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.261 -8.862 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.917 -9.424 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.316 -7.178 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.206 -7.249 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.929 -6.458 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.781 -6.692 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.930 -4.846 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.270 -4.286 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.748 -3.681 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.446 -5.309 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.041 -4.772 -8.065 1.00 0.00 H new ATOM 809 N PRO A 50 -15.923 -6.867 2.421 1.00 0.00 N ATOM 810 CA PRO A 50 -16.087 -5.439 2.132 1.00 0.00 C ATOM 811 C PRO A 50 -14.753 -4.703 2.067 1.00 0.00 C ATOM 812 O PRO A 50 -13.710 -5.254 2.420 1.00 0.00 O ATOM 813 CB PRO A 50 -16.920 -4.932 3.312 1.00 0.00 C ATOM 814 CG PRO A 50 -16.627 -5.884 4.420 1.00 0.00 C ATOM 815 CD PRO A 50 -16.402 -7.220 3.768 1.00 0.00 C ATOM 0 HA PRO A 50 -16.552 -5.271 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.644 -3.913 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.983 -4.921 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.747 -5.571 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.456 -5.929 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.668 -7.814 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.320 -7.807 3.727 1.00 0.00 H new ATOM 823 N THR A 51 -14.793 -3.454 1.613 1.00 0.00 N ATOM 824 CA THR A 51 -13.588 -2.643 1.501 1.00 0.00 C ATOM 825 C THR A 51 -12.810 -2.629 2.812 1.00 0.00 C ATOM 826 O THR A 51 -13.377 -2.846 3.883 1.00 0.00 O ATOM 827 CB THR A 51 -13.921 -1.194 1.100 1.00 0.00 C ATOM 828 OG1 THR A 51 -14.973 -1.184 0.129 1.00 0.00 O ATOM 829 CG2 THR A 51 -12.695 -0.493 0.535 1.00 0.00 C ATOM 0 H THR A 51 -15.648 -2.982 1.317 1.00 0.00 H new ATOM 0 HA THR A 51 -12.974 -3.096 0.722 1.00 0.00 H new ATOM 0 HB THR A 51 -14.246 -0.659 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.180 -0.259 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.955 0.529 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.907 -0.476 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.344 -1.029 -0.347 1.00 0.00 H new ATOM 837 N MET A 52 -11.509 -2.373 2.721 1.00 0.00 N ATOM 838 CA MET A 52 -10.654 -2.330 3.902 1.00 0.00 C ATOM 839 C MET A 52 -10.069 -0.935 4.098 1.00 0.00 C ATOM 840 O MET A 52 -10.083 -0.111 3.183 1.00 0.00 O ATOM 841 CB MET A 52 -9.527 -3.357 3.779 1.00 0.00 C ATOM 842 CG MET A 52 -9.893 -4.729 4.323 1.00 0.00 C ATOM 843 SD MET A 52 -8.453 -5.787 4.562 1.00 0.00 S ATOM 844 CE MET A 52 -7.604 -5.563 3.001 1.00 0.00 C ATOM 0 H MET A 52 -11.024 -2.192 1.842 1.00 0.00 H new ATOM 0 HA MET A 52 -11.264 -2.574 4.772 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.248 -3.454 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.650 -2.987 4.310 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.415 -4.612 5.273 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.586 -5.215 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.874 -6.361 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.327 -5.592 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.094 -4.600 2.999 1.00 0.00 H new ATOM 854 N TYR A 53 -9.555 -0.677 5.295 1.00 0.00 N ATOM 855 CA TYR A 53 -8.967 0.619 5.612 1.00 0.00 C ATOM 856 C TYR A 53 -7.628 0.451 6.322 1.00 0.00 C ATOM 857 O TYR A 53 -7.530 0.506 7.547 1.00 0.00 O ATOM 858 CB TYR A 53 -9.921 1.436 6.486 1.00 0.00 C ATOM 859 CG TYR A 53 -11.329 1.512 5.938 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.611 2.249 4.795 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.376 0.848 6.565 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.896 2.322 4.292 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.663 0.914 6.068 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.918 1.652 4.931 1.00 0.00 C ATOM 865 OH TYR A 53 -15.199 1.722 4.434 1.00 0.00 O ATOM 0 H TYR A 53 -9.534 -1.349 6.062 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.797 1.151 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.951 0.998 7.484 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.527 2.447 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.813 2.774 4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.180 0.270 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.099 2.901 3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.465 0.391 6.567 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.799 1.193 5.000 1.00 0.00 H new ATOM 875 N PRO A 54 -6.564 0.240 5.533 1.00 0.00 N ATOM 876 CA PRO A 54 -5.257 0.075 6.176 1.00 0.00 C ATOM 877 C PRO A 54 -4.746 1.372 6.793 1.00 0.00 C ATOM 878 O PRO A 54 -5.208 2.468 6.474 1.00 0.00 O ATOM 879 CB PRO A 54 -4.348 -0.365 5.026 1.00 0.00 C ATOM 880 CG PRO A 54 -4.998 0.179 3.800 1.00 0.00 C ATOM 881 CD PRO A 54 -6.478 0.143 4.066 1.00 0.00 C ATOM 0 HA PRO A 54 -5.296 -0.636 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.339 0.028 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.264 -1.451 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.662 1.196 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.744 -0.419 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.994 0.970 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.930 -0.778 3.697 1.00 0.00 H new ATOM 889 N PRO A 55 -3.766 1.251 7.699 1.00 0.00 N ATOM 890 CA PRO A 55 -3.247 2.477 8.314 1.00 0.00 C ATOM 891 C PRO A 55 -2.452 3.327 7.329 1.00 0.00 C ATOM 892 O PRO A 55 -2.382 3.015 6.140 1.00 0.00 O ATOM 893 CB PRO A 55 -2.336 1.957 9.429 1.00 0.00 C ATOM 894 CG PRO A 55 -1.923 0.599 8.978 1.00 0.00 C ATOM 895 CD PRO A 55 -3.089 0.046 8.207 1.00 0.00 C ATOM 0 HA PRO A 55 -4.048 3.126 8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.472 2.607 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.862 1.914 10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.031 0.650 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.681 -0.038 9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.762 -0.603 7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.747 -0.546 8.843 1.00 0.00 H new ATOM 903 N TRP A 56 -1.853 4.401 7.832 1.00 0.00 N ATOM 904 CA TRP A 56 -1.061 5.296 6.995 1.00 0.00 C ATOM 905 C TRP A 56 0.426 5.147 7.294 1.00 0.00 C ATOM 906 O TRP A 56 0.847 5.218 8.448 1.00 0.00 O ATOM 907 CB TRP A 56 -1.495 6.747 7.213 1.00 0.00 C ATOM 908 CG TRP A 56 -2.602 7.180 6.300 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.850 7.595 6.665 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.560 7.237 4.870 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.587 7.907 5.548 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.818 7.697 4.434 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.582 6.947 3.915 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.121 7.872 3.087 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -1.884 7.120 2.577 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.145 7.580 2.173 1.00 0.00 C ATOM 0 H TRP A 56 -1.900 4.673 8.814 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.231 5.025 5.953 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.817 6.871 8.247 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.636 7.402 7.066 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.206 7.667 7.682 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.551 8.241 5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.607 6.594 4.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.092 8.226 2.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.136 6.897 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.350 7.706 1.120 1.00 0.00 H new ATOM 927 N ASP A 57 1.217 4.939 6.247 1.00 0.00 N ATOM 928 CA ASP A 57 2.659 4.780 6.398 1.00 0.00 C ATOM 929 C ASP A 57 2.985 3.573 7.272 1.00 0.00 C ATOM 930 O ASP A 57 4.019 3.539 7.939 1.00 0.00 O ATOM 931 CB ASP A 57 3.272 6.044 7.002 1.00 0.00 C ATOM 932 CG ASP A 57 4.629 6.370 6.410 1.00 0.00 C ATOM 933 OD1 ASP A 57 4.686 6.712 5.211 1.00 0.00 O ATOM 934 OD2 ASP A 57 5.634 6.283 7.146 1.00 0.00 O ATOM 0 H ASP A 57 0.884 4.877 5.285 1.00 0.00 H new ATOM 0 HA ASP A 57 3.087 4.615 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.597 6.884 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.370 5.917 8.080 1.00 0.00 H new ATOM 939 N SER A 58 2.094 2.586 7.265 1.00 0.00 N ATOM 940 CA SER A 58 2.285 1.380 8.061 1.00 0.00 C ATOM 941 C SER A 58 2.042 0.130 7.221 1.00 0.00 C ATOM 942 O SER A 58 1.640 0.216 6.060 1.00 0.00 O ATOM 943 CB SER A 58 1.345 1.387 9.269 1.00 0.00 C ATOM 944 OG SER A 58 1.922 2.081 10.361 1.00 0.00 O ATOM 0 H SER A 58 1.234 2.598 6.717 1.00 0.00 H new ATOM 0 HA SER A 58 3.317 1.366 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.400 1.855 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.119 0.362 9.564 1.00 0.00 H new ATOM 0 HG SER A 58 1.301 2.072 11.119 1.00 0.00 H new ATOM 950 N THR A 59 2.289 -1.033 7.815 1.00 0.00 N ATOM 951 CA THR A 59 2.099 -2.301 7.123 1.00 0.00 C ATOM 952 C THR A 59 0.861 -3.028 7.636 1.00 0.00 C ATOM 953 O THR A 59 0.595 -3.049 8.837 1.00 0.00 O ATOM 954 CB THR A 59 3.325 -3.220 7.287 1.00 0.00 C ATOM 955 OG1 THR A 59 3.828 -3.130 8.624 1.00 0.00 O ATOM 956 CG2 THR A 59 4.420 -2.842 6.301 1.00 0.00 C ATOM 0 H THR A 59 2.622 -1.123 8.775 1.00 0.00 H new ATOM 0 HA THR A 59 1.968 -2.067 6.066 1.00 0.00 H new ATOM 0 HB THR A 59 3.014 -4.245 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.606 -3.718 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.275 -3.504 6.436 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.042 -2.939 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.728 -1.811 6.477 1.00 0.00 H new ATOM 964 N PHE A 60 0.108 -3.624 6.717 1.00 0.00 N ATOM 965 CA PHE A 60 -1.103 -4.352 7.077 1.00 0.00 C ATOM 966 C PHE A 60 -1.034 -5.797 6.591 1.00 0.00 C ATOM 967 O PHE A 60 -0.260 -6.124 5.691 1.00 0.00 O ATOM 968 CB PHE A 60 -2.334 -3.661 6.486 1.00 0.00 C ATOM 969 CG PHE A 60 -2.303 -3.562 4.987 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.755 -4.610 4.201 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.822 -2.421 4.365 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.729 -4.521 2.822 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.794 -2.327 2.987 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.246 -3.379 2.214 1.00 0.00 C ATOM 0 H PHE A 60 0.315 -3.617 5.718 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.185 -4.356 8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.228 -4.207 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.416 -2.659 6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.132 -5.506 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.465 -1.596 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.086 -5.344 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.419 -1.431 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.222 -3.308 1.137 1.00 0.00 H new ATOM 984 N ASP A 61 -1.848 -6.657 7.193 1.00 0.00 N ATOM 985 CA ASP A 61 -1.880 -8.067 6.822 1.00 0.00 C ATOM 986 C ASP A 61 -2.851 -8.303 5.669 1.00 0.00 C ATOM 987 O ASP A 61 -3.910 -7.680 5.599 1.00 0.00 O ATOM 988 CB ASP A 61 -2.279 -8.924 8.024 1.00 0.00 C ATOM 989 CG ASP A 61 -3.662 -8.585 8.544 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.651 -8.925 7.861 1.00 0.00 O ATOM 991 OD2 ASP A 61 -3.756 -7.979 9.632 1.00 0.00 O ATOM 0 H ASP A 61 -2.494 -6.403 7.940 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.880 -8.355 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.248 -9.976 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.550 -8.786 8.823 1.00 0.00 H new ATOM 996 N ALA A 62 -2.482 -9.206 4.767 1.00 0.00 N ATOM 997 CA ALA A 62 -3.320 -9.525 3.618 1.00 0.00 C ATOM 998 C ALA A 62 -3.337 -11.027 3.350 1.00 0.00 C ATOM 999 O ALA A 62 -2.293 -11.681 3.362 1.00 0.00 O ATOM 1000 CB ALA A 62 -2.836 -8.774 2.387 1.00 0.00 C ATOM 0 H ALA A 62 -1.608 -9.730 4.810 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.339 -9.211 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.471 -9.022 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.882 -7.701 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.807 -9.060 2.167 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.527 -11.567 3.110 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.679 -12.992 2.840 1.00 0.00 C ATOM 1008 C HIS A 63 -4.292 -13.317 1.401 1.00 0.00 C ATOM 1009 O HIS A 63 -4.464 -12.494 0.501 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.119 -13.432 3.105 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.522 -13.331 4.544 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -7.362 -12.348 5.023 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -6.197 -14.098 5.610 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -7.534 -12.514 6.322 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.838 -13.569 6.703 1.00 0.00 N ATOM 0 H HIS A 63 -5.400 -11.040 3.097 1.00 0.00 H new ATOM 0 HA HIS A 63 -4.012 -13.536 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.793 -12.822 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.242 -14.463 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.553 -14.965 5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.141 -11.892 6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.785 -13.932 7.655 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.767 -14.519 1.191 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.356 -14.952 -0.139 1.00 0.00 C ATOM 1025 C ILE A 64 -4.279 -16.042 -0.673 1.00 0.00 C ATOM 1026 O ILE A 64 -4.805 -16.852 0.089 1.00 0.00 O ATOM 1027 CB ILE A 64 -1.908 -15.476 -0.138 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -0.972 -14.452 0.508 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.458 -15.793 -1.556 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.465 -14.917 0.594 1.00 0.00 C ATOM 0 H ILE A 64 -3.616 -15.211 1.925 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.417 -14.078 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.870 -16.395 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.012 -13.524 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.332 -14.224 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.433 -16.162 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.111 -16.554 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.508 -14.890 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.071 -14.141 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.518 -15.828 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.843 -15.117 -0.408 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.471 -16.056 -1.988 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.330 -17.047 -2.625 1.00 0.00 C ATOM 1044 C ASN A 65 -5.082 -17.095 -4.130 1.00 0.00 C ATOM 1045 O ASN A 65 -4.460 -16.197 -4.697 1.00 0.00 O ATOM 1046 CB ASN A 65 -6.801 -16.731 -2.349 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.306 -17.391 -1.080 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.628 -16.716 -0.102 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -7.377 -18.717 -1.091 1.00 0.00 N ATOM 0 H ASN A 65 -4.043 -15.392 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.090 -18.023 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.929 -15.651 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.406 -17.063 -3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.709 -19.217 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.099 -19.236 -1.924 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.574 -18.150 -4.771 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.409 -18.316 -6.210 1.00 0.00 C ATOM 1058 C LYS A 66 -6.346 -17.387 -6.976 1.00 0.00 C ATOM 1059 O LYS A 66 -6.069 -17.010 -8.114 1.00 0.00 O ATOM 1060 CB LYS A 66 -5.675 -19.769 -6.610 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.527 -20.709 -6.286 1.00 0.00 C ATOM 1062 CD LYS A 66 -4.782 -22.107 -6.824 1.00 0.00 C ATOM 1063 CE LYS A 66 -3.761 -23.103 -6.294 1.00 0.00 C ATOM 1064 NZ LYS A 66 -4.064 -24.493 -6.731 1.00 0.00 N ATOM 0 H LYS A 66 -6.090 -18.903 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.381 -18.057 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.574 -20.118 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.877 -19.811 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.603 -20.317 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.386 -20.754 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.785 -22.429 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.745 -22.091 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.766 -22.822 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.743 -23.060 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.346 -25.141 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.003 -24.771 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.056 -24.540 -7.770 1.00 0.00 H new ATOM 1078 N GLY A 67 -7.457 -17.021 -6.344 1.00 0.00 N ATOM 1079 CA GLY A 67 -8.417 -16.138 -6.980 1.00 0.00 C ATOM 1080 C GLY A 67 -8.793 -14.961 -6.103 1.00 0.00 C ATOM 1081 O GLY A 67 -9.970 -14.742 -5.817 1.00 0.00 O ATOM 0 H GLY A 67 -7.709 -17.321 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.001 -15.770 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.315 -16.703 -7.229 1.00 0.00 H new ATOM 1085 N ARG A 68 -7.790 -14.201 -5.673 1.00 0.00 N ATOM 1086 CA ARG A 68 -8.022 -13.042 -4.821 1.00 0.00 C ATOM 1087 C ARG A 68 -7.284 -11.818 -5.355 1.00 0.00 C ATOM 1088 O ARG A 68 -6.054 -11.770 -5.350 1.00 0.00 O ATOM 1089 CB ARG A 68 -7.571 -13.337 -3.389 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.879 -12.215 -2.410 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.207 -12.448 -1.066 1.00 0.00 C ATOM 1092 NE ARG A 68 -7.923 -11.793 0.025 1.00 0.00 N ATOM 1093 CZ ARG A 68 -9.057 -12.254 0.541 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.601 -13.366 0.067 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -9.649 -11.601 1.533 1.00 0.00 N ATOM 0 H ARG A 68 -6.810 -14.368 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.091 -12.830 -4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.056 -14.251 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.497 -13.525 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.543 -11.265 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.957 -12.138 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.149 -13.519 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.183 -12.075 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.531 -10.935 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.149 -13.870 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.472 -13.718 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.233 -10.745 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.520 -11.955 1.929 1.00 0.00 H new ATOM 1109 N VAL A 69 -8.044 -10.830 -5.817 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.463 -9.606 -6.355 1.00 0.00 C ATOM 1111 C VAL A 69 -7.638 -8.442 -5.386 1.00 0.00 C ATOM 1112 O VAL A 69 -8.576 -8.421 -4.589 1.00 0.00 O ATOM 1113 CB VAL A 69 -8.096 -9.231 -7.708 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.636 -10.189 -8.797 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.614 -9.222 -7.602 1.00 0.00 C ATOM 0 H VAL A 69 -9.064 -10.854 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.400 -9.798 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.767 -8.227 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.094 -9.908 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.551 -10.141 -8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.934 -11.205 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.045 -8.955 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.964 -10.212 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.922 -8.493 -6.853 1.00 0.00 H new ATOM 1125 N MET A 70 -6.728 -7.476 -5.459 1.00 0.00 N ATOM 1126 CA MET A 70 -6.783 -6.307 -4.589 1.00 0.00 C ATOM 1127 C MET A 70 -6.926 -5.027 -5.405 1.00 0.00 C ATOM 1128 O MET A 70 -6.327 -4.891 -6.472 1.00 0.00 O ATOM 1129 CB MET A 70 -5.527 -6.234 -3.719 1.00 0.00 C ATOM 1130 CG MET A 70 -5.410 -4.940 -2.929 1.00 0.00 C ATOM 1131 SD MET A 70 -4.306 -5.090 -1.511 1.00 0.00 S ATOM 1132 CE MET A 70 -2.714 -5.169 -2.328 1.00 0.00 C ATOM 0 H MET A 70 -5.944 -7.480 -6.111 1.00 0.00 H new ATOM 0 HA MET A 70 -7.657 -6.405 -3.946 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.526 -7.075 -3.026 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.648 -6.343 -4.354 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.047 -4.149 -3.586 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.399 -4.638 -2.584 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.926 -5.263 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.689 -6.032 -2.993 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.557 -4.260 -2.908 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.723 -4.092 -4.898 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.944 -2.824 -5.582 1.00 0.00 C ATOM 1144 C GLN A 71 -7.789 -1.651 -4.619 1.00 0.00 C ATOM 1145 O GLN A 71 -8.522 -1.542 -3.636 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.336 -2.798 -6.215 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.497 -1.731 -7.287 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.949 -1.474 -7.640 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -11.858 -1.875 -6.912 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.175 -0.802 -8.763 1.00 0.00 N ATOM 0 H GLN A 71 -8.226 -4.189 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.193 -2.728 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.546 -3.774 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.078 -2.632 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.041 -0.803 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.958 -2.037 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.392 -0.488 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.132 -0.599 -9.052 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.829 -0.778 -4.907 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.579 0.386 -4.067 1.00 0.00 C ATOM 1161 C ILE A 72 -7.184 1.645 -4.678 1.00 0.00 C ATOM 1162 O ILE A 72 -6.749 2.106 -5.733 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.070 0.609 -3.849 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.435 -0.633 -3.220 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.837 1.831 -2.974 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.929 -0.548 -3.104 1.00 0.00 C ATOM 0 H ILE A 72 -6.212 -0.855 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.052 0.188 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.599 0.784 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.860 -0.786 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.697 -1.507 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.766 1.976 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.260 2.711 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.318 1.683 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.547 -1.462 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.494 -0.426 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.660 0.306 -2.483 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.189 2.198 -4.006 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.852 3.406 -4.481 1.00 0.00 C ATOM 1180 C ILE A 73 -8.808 4.507 -3.428 1.00 0.00 C ATOM 1181 O ILE A 73 -9.384 4.372 -2.348 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.319 3.130 -4.860 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.400 2.005 -5.893 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.975 4.395 -5.393 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.802 1.480 -6.107 1.00 0.00 C ATOM 0 H ILE A 73 -8.561 1.828 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.312 3.735 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.856 2.814 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.007 2.367 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.758 1.184 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.011 4.184 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.946 5.170 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.438 4.738 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.783 0.685 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.191 1.088 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.444 2.289 -6.456 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.123 5.600 -3.750 1.00 0.00 N ATOM 1198 CA VAL A 74 -8.007 6.727 -2.832 1.00 0.00 C ATOM 1199 C VAL A 74 -9.270 7.580 -2.847 1.00 0.00 C ATOM 1200 O VAL A 74 -9.488 8.373 -3.763 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.798 7.614 -3.184 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.640 8.731 -2.164 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.530 6.777 -3.271 1.00 0.00 C ATOM 0 H VAL A 74 -7.640 5.729 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.865 6.310 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.974 8.067 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.781 9.347 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.539 9.347 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.486 8.301 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.686 7.420 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.347 6.294 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.648 6.017 -4.043 1.00 0.00 H new ATOM 1213 N LYS A 75 -10.102 7.413 -1.824 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.344 8.168 -1.716 1.00 0.00 C ATOM 1215 C LYS A 75 -11.163 9.388 -0.818 1.00 0.00 C ATOM 1216 O LYS A 75 -10.298 9.404 0.057 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.460 7.278 -1.166 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.836 6.132 -2.090 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.799 5.168 -1.419 1.00 0.00 C ATOM 1220 CE LYS A 75 -14.443 4.230 -2.429 1.00 0.00 C ATOM 1221 NZ LYS A 75 -13.515 3.141 -2.844 1.00 0.00 N ATOM 0 H LYS A 75 -9.938 6.761 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.619 8.511 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.148 6.871 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.343 7.890 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.291 6.529 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.936 5.597 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.267 4.585 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.574 5.730 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.344 3.795 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.752 4.798 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.710 2.876 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.533 3.472 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.654 2.314 -2.229 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.730 9.833 -6.910 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.485 10.573 -7.078 1.00 0.00 C ATOM 1327 C ILE A 82 -8.482 9.780 -7.909 1.00 0.00 C ATOM 1328 O ILE A 82 -7.721 10.349 -8.691 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.849 10.919 -5.719 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.862 11.636 -4.825 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.609 11.777 -5.918 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -9.375 11.847 -3.408 1.00 0.00 C ATOM 0 HA ILE A 82 -9.735 11.497 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.551 9.993 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.103 12.603 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.786 11.058 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.171 12.013 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.883 11.232 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.884 12.701 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.144 12.361 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.162 10.882 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.468 12.451 -3.421 1.00 0.00 H new ATOM 1344 N SER A 83 -8.489 8.462 -7.736 1.00 0.00 N ATOM 1345 CA SER A 83 -7.578 7.590 -8.468 1.00 0.00 C ATOM 1346 C SER A 83 -7.926 6.123 -8.235 1.00 0.00 C ATOM 1347 O SER A 83 -8.650 5.787 -7.299 1.00 0.00 O ATOM 1348 CB SER A 83 -6.132 7.857 -8.045 1.00 0.00 C ATOM 1349 OG SER A 83 -5.889 7.382 -6.732 1.00 0.00 O ATOM 0 H SER A 83 -9.115 7.975 -7.095 1.00 0.00 H new ATOM 0 HA SER A 83 -7.683 7.806 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.450 7.371 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.928 8.927 -8.092 1.00 0.00 H new ATOM 0 HG SER A 83 -5.015 7.701 -6.425 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.404 5.254 -9.095 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.659 3.822 -8.984 1.00 0.00 C ATOM 1357 C GLU A 84 -6.525 3.017 -9.609 1.00 0.00 C ATOM 1358 O GLU A 84 -5.834 3.491 -10.512 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.986 3.465 -9.658 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.377 2.006 -9.495 1.00 0.00 C ATOM 1361 CD GLU A 84 -8.836 1.128 -10.607 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -8.745 1.614 -11.754 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -8.503 -0.043 -10.330 1.00 0.00 O ATOM 0 H GLU A 84 -6.802 5.516 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.718 3.570 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.775 4.093 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.919 3.698 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.008 1.640 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.464 1.926 -9.470 1.00 0.00 H new ATOM 1370 N THR A 85 -6.336 1.794 -9.123 1.00 0.00 N ATOM 1371 CA THR A 85 -5.285 0.922 -9.632 1.00 0.00 C ATOM 1372 C THR A 85 -5.609 -0.544 -9.365 1.00 0.00 C ATOM 1373 O THR A 85 -6.358 -0.867 -8.442 1.00 0.00 O ATOM 1374 CB THR A 85 -3.922 1.258 -8.999 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.881 0.536 -9.667 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.913 0.914 -7.517 1.00 0.00 C ATOM 0 H THR A 85 -6.898 1.385 -8.377 1.00 0.00 H new ATOM 0 HA THR A 85 -5.229 1.089 -10.708 1.00 0.00 H new ATOM 0 HB THR A 85 -3.750 2.329 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.017 0.756 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.940 1.160 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.687 1.486 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.105 -0.151 -7.390 1.00 0.00 H new ATOM 1384 N THR A 86 -5.040 -1.428 -10.178 1.00 0.00 N ATOM 1385 CA THR A 86 -5.269 -2.860 -10.029 1.00 0.00 C ATOM 1386 C THR A 86 -4.033 -3.560 -9.477 1.00 0.00 C ATOM 1387 O THR A 86 -2.903 -3.219 -9.830 1.00 0.00 O ATOM 1388 CB THR A 86 -5.655 -3.509 -11.372 1.00 0.00 C ATOM 1389 OG1 THR A 86 -4.875 -2.944 -12.432 1.00 0.00 O ATOM 1390 CG2 THR A 86 -7.135 -3.310 -11.663 1.00 0.00 C ATOM 0 H THR A 86 -4.417 -1.178 -10.946 1.00 0.00 H new ATOM 0 HA THR A 86 -6.094 -2.977 -9.326 1.00 0.00 H new ATOM 0 HB THR A 86 -5.454 -4.578 -11.305 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.125 -3.363 -13.282 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.384 -3.776 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.726 -3.767 -10.870 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.356 -2.244 -11.712 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.253 -4.541 -8.607 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.156 -5.291 -8.006 1.00 0.00 C ATOM 1400 C VAL A 87 -3.562 -6.734 -7.732 1.00 0.00 C ATOM 1401 O VAL A 87 -4.644 -6.995 -7.207 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.687 -4.642 -6.690 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -1.513 -5.411 -6.105 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -2.321 -3.183 -6.916 1.00 0.00 C ATOM 0 H VAL A 87 -5.181 -4.835 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.334 -5.278 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.508 -4.679 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.195 -4.938 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.815 -6.439 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.686 -5.408 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.992 -2.741 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.516 -3.119 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.192 -2.642 -7.286 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.687 -7.668 -8.092 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.956 -9.086 -7.885 1.00 0.00 C ATOM 1416 C GLU A 88 -2.164 -9.622 -6.696 1.00 0.00 C ATOM 1417 O GLU A 88 -0.933 -9.673 -6.728 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.609 -9.883 -9.145 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.697 -9.850 -10.205 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.293 -10.569 -11.477 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -2.260 -11.270 -11.461 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -4.011 -10.430 -12.490 1.00 0.00 O ATOM 0 H GLU A 88 -1.787 -7.468 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.019 -9.201 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.686 -9.489 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.415 -10.919 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.602 -10.307 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.940 -8.814 -10.439 1.00 0.00 H new ATOM 1429 N LEU A 89 -2.877 -10.020 -5.649 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.241 -10.552 -4.448 1.00 0.00 C ATOM 1431 C LEU A 89 -1.567 -11.889 -4.736 1.00 0.00 C ATOM 1432 O LEU A 89 -0.575 -12.246 -4.099 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.274 -10.719 -3.332 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.909 -9.431 -2.808 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.286 -9.713 -2.227 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -3.012 -8.779 -1.765 1.00 0.00 C ATOM 0 H LEU A 89 -3.896 -9.985 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.478 -9.843 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.069 -11.371 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.797 -11.232 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.023 -8.740 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.723 -8.785 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.928 -10.134 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.196 -10.422 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.480 -7.864 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.865 -9.465 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.047 -8.541 -2.213 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.109 -12.624 -5.701 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.560 -13.922 -6.074 1.00 0.00 C ATOM 1450 C TYR A 90 -0.168 -13.771 -6.680 1.00 0.00 C ATOM 1451 O TYR A 90 0.825 -14.213 -6.101 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.487 -14.626 -7.066 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.064 -16.041 -7.391 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.783 -16.952 -6.381 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -1.947 -16.466 -8.709 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.396 -18.246 -6.674 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.561 -17.758 -9.011 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.287 -18.644 -7.990 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.903 -19.932 -8.286 1.00 0.00 O ATOM 0 H TYR A 90 -2.928 -12.343 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.480 -14.527 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.497 -14.643 -6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.526 -14.046 -7.988 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.868 -16.644 -5.349 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.161 -15.775 -9.511 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.180 -18.942 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.474 -18.072 -10.041 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.876 -20.050 -9.258 1.00 0.00 H new ATOM 1469 N SER A 91 -0.104 -13.143 -7.850 1.00 0.00 N ATOM 1470 CA SER A 91 1.165 -12.936 -8.538 1.00 0.00 C ATOM 1471 C SER A 91 2.143 -12.168 -7.654 1.00 0.00 C ATOM 1472 O SER A 91 3.347 -12.425 -7.672 1.00 0.00 O ATOM 1473 CB SER A 91 0.941 -12.178 -9.848 1.00 0.00 C ATOM 1474 OG SER A 91 0.436 -10.876 -9.604 1.00 0.00 O ATOM 0 H SER A 91 -0.916 -12.769 -8.341 1.00 0.00 H new ATOM 0 HA SER A 91 1.593 -13.913 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.880 -12.110 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.243 -12.730 -10.477 1.00 0.00 H new ATOM 0 HG SER A 91 0.303 -10.412 -10.457 1.00 0.00 H new ATOM 1480 N LEU A 92 1.616 -11.225 -6.880 1.00 0.00 N ATOM 1481 CA LEU A 92 2.442 -10.419 -5.988 1.00 0.00 C ATOM 1482 C LEU A 92 3.230 -11.304 -5.027 1.00 0.00 C ATOM 1483 O LEU A 92 4.430 -11.112 -4.834 1.00 0.00 O ATOM 1484 CB LEU A 92 1.569 -9.441 -5.199 1.00 0.00 C ATOM 1485 CG LEU A 92 2.305 -8.526 -4.219 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.393 -7.741 -4.935 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.327 -7.582 -3.534 1.00 0.00 C ATOM 0 H LEU A 92 0.621 -11.000 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 92 3.149 -9.856 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.024 -8.818 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.827 -10.014 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 92 2.776 -9.146 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.905 -7.096 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.109 -8.433 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.945 -7.131 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.868 -6.938 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.828 -6.969 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.584 -8.162 -2.987 1.00 0.00 H new ATOM 1499 N ALA A 93 2.546 -12.274 -4.429 1.00 0.00 N ATOM 1500 CA ALA A 93 3.183 -13.191 -3.491 1.00 0.00 C ATOM 1501 C ALA A 93 4.413 -13.845 -4.113 1.00 0.00 C ATOM 1502 O ALA A 93 5.364 -14.189 -3.413 1.00 0.00 O ATOM 1503 CB ALA A 93 2.192 -14.251 -3.035 1.00 0.00 C ATOM 0 H ALA A 93 1.551 -12.445 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 93 3.509 -12.617 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.681 -14.929 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.346 -13.771 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.838 -14.814 -3.899 1.00 0.00 H new ATOM 1509 N GLU A 94 4.384 -14.014 -5.431 1.00 0.00 N ATOM 1510 CA GLU A 94 5.497 -14.629 -6.146 1.00 0.00 C ATOM 1511 C GLU A 94 6.633 -13.630 -6.348 1.00 0.00 C ATOM 1512 O GLU A 94 7.801 -13.951 -6.131 1.00 0.00 O ATOM 1513 CB GLU A 94 5.028 -15.165 -7.500 1.00 0.00 C ATOM 1514 CG GLU A 94 3.949 -16.230 -7.393 1.00 0.00 C ATOM 1515 CD GLU A 94 3.943 -17.175 -8.578 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.702 -16.707 -9.711 1.00 0.00 O ATOM 1517 OE2 GLU A 94 4.180 -18.384 -8.373 1.00 0.00 O ATOM 0 H GLU A 94 3.603 -13.734 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 94 5.868 -15.458 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.650 -14.336 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.884 -15.579 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.098 -16.802 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.975 -15.748 -7.312 1.00 0.00 H new ATOM 1524 N ARG A 95 6.280 -12.418 -6.764 1.00 0.00 N ATOM 1525 CA ARG A 95 7.269 -11.372 -6.997 1.00 0.00 C ATOM 1526 C ARG A 95 8.173 -11.198 -5.779 1.00 0.00 C ATOM 1527 O ARG A 95 9.383 -11.016 -5.914 1.00 0.00 O ATOM 1528 CB ARG A 95 6.575 -10.049 -7.324 1.00 0.00 C ATOM 1529 CG ARG A 95 6.331 -9.840 -8.809 1.00 0.00 C ATOM 1530 CD ARG A 95 6.359 -8.365 -9.177 1.00 0.00 C ATOM 1531 NE ARG A 95 7.700 -7.918 -9.543 1.00 0.00 N ATOM 1532 CZ ARG A 95 8.268 -8.180 -10.715 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.614 -8.882 -11.630 1.00 0.00 N ATOM 1534 NH2 ARG A 95 9.492 -7.738 -10.975 1.00 0.00 N ATOM 0 H ARG A 95 5.317 -12.136 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 95 7.885 -11.671 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.621 -10.010 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.182 -9.227 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.090 -10.373 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.366 -10.266 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.678 -8.186 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.997 -7.774 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 95 8.230 -7.375 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.672 -9.222 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.052 -9.082 -12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.998 -7.196 -10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.927 -7.940 -11.875 1.00 0.00 H new ATOM 1548 N CYS A 96 7.576 -11.254 -4.594 1.00 0.00 N ATOM 1549 CA CYS A 96 8.327 -11.100 -3.352 1.00 0.00 C ATOM 1550 C CYS A 96 9.414 -12.164 -3.240 1.00 0.00 C ATOM 1551 O CYS A 96 10.572 -11.856 -2.957 1.00 0.00 O ATOM 1552 CB CYS A 96 7.387 -11.186 -2.150 1.00 0.00 C ATOM 1553 SG CYS A 96 5.975 -10.060 -2.235 1.00 0.00 S ATOM 0 H CYS A 96 6.575 -11.405 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 96 8.803 -10.119 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.018 -12.208 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.954 -10.973 -1.243 1.00 0.00 H new ATOM 0 HG CYS A 96 5.238 -10.365 -3.262 1.00 0.00 H new ATOM 1559 N ARG A 97 9.033 -13.418 -3.461 1.00 0.00 N ATOM 1560 CA ARG A 97 9.975 -14.528 -3.381 1.00 0.00 C ATOM 1561 C ARG A 97 11.105 -14.356 -4.391 1.00 0.00 C ATOM 1562 O ARG A 97 12.251 -14.717 -4.125 1.00 0.00 O ATOM 1563 CB ARG A 97 9.254 -15.855 -3.628 1.00 0.00 C ATOM 1564 CG ARG A 97 8.051 -16.072 -2.724 1.00 0.00 C ATOM 1565 CD ARG A 97 7.221 -17.263 -3.178 1.00 0.00 C ATOM 1566 NE ARG A 97 5.821 -17.135 -2.784 1.00 0.00 N ATOM 1567 CZ ARG A 97 4.962 -18.148 -2.785 1.00 0.00 C ATOM 1568 NH1 ARG A 97 5.358 -19.358 -3.157 1.00 0.00 N ATOM 1569 NH2 ARG A 97 3.703 -17.953 -2.414 1.00 0.00 N ATOM 0 H ARG A 97 8.079 -13.691 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 97 10.404 -14.536 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.928 -15.894 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.959 -16.674 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.388 -16.231 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.431 -15.175 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.285 -17.358 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.635 -18.177 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 97 5.484 -16.218 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.325 -19.513 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.696 -20.134 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.394 -17.024 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.044 -18.732 -2.415 1.00 0.00 H new ATOM 1583 N LYS A 98 10.774 -13.802 -5.553 1.00 0.00 N ATOM 1584 CA LYS A 98 11.760 -13.580 -6.604 1.00 0.00 C ATOM 1585 C LYS A 98 12.873 -12.656 -6.120 1.00 0.00 C ATOM 1586 O LYS A 98 13.995 -12.705 -6.621 1.00 0.00 O ATOM 1587 CB LYS A 98 11.090 -12.983 -7.843 1.00 0.00 C ATOM 1588 CG LYS A 98 10.060 -13.901 -8.479 1.00 0.00 C ATOM 1589 CD LYS A 98 9.942 -13.656 -9.974 1.00 0.00 C ATOM 1590 CE LYS A 98 8.892 -12.600 -10.285 1.00 0.00 C ATOM 1591 NZ LYS A 98 7.509 -13.122 -10.098 1.00 0.00 N ATOM 0 H LYS A 98 9.830 -13.498 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 98 12.199 -14.543 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.608 -12.045 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.856 -12.744 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.338 -14.940 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.090 -13.744 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.907 -13.338 -10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.683 -14.588 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.044 -11.735 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.015 -12.257 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.824 -12.422 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.398 -14.010 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.338 -13.299 -9.087 1.00 0.00 H new ATOM 1605 N ASN A 99 12.553 -11.814 -5.142 1.00 0.00 N ATOM 1606 CA ASN A 99 13.527 -10.879 -4.589 1.00 0.00 C ATOM 1607 C ASN A 99 14.173 -11.447 -3.329 1.00 0.00 C ATOM 1608 O ASN A 99 14.573 -10.703 -2.435 1.00 0.00 O ATOM 1609 CB ASN A 99 12.857 -9.541 -4.273 1.00 0.00 C ATOM 1610 CG ASN A 99 12.752 -8.644 -5.492 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.481 -7.660 -5.617 1.00 0.00 O ATOM 1612 ND2 ASN A 99 11.843 -8.982 -6.399 1.00 0.00 N ATOM 0 H ASN A 99 11.628 -11.760 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 99 14.306 -10.721 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.860 -9.723 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.424 -9.028 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.728 -8.417 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.260 -9.806 -6.254 1.00 0.00 H new ATOM 1619 N ASN A 100 14.271 -12.771 -3.267 1.00 0.00 N ATOM 1620 CA ASN A 100 14.868 -13.440 -2.116 1.00 0.00 C ATOM 1621 C ASN A 100 14.180 -13.015 -0.822 1.00 0.00 C ATOM 1622 O ASN A 100 14.782 -13.043 0.251 1.00 0.00 O ATOM 1623 CB ASN A 100 16.364 -13.128 -2.039 1.00 0.00 C ATOM 1624 CG ASN A 100 17.194 -14.059 -2.901 1.00 0.00 C ATOM 1625 OD1 ASN A 100 17.545 -13.726 -4.033 1.00 0.00 O ATOM 1626 ND2 ASN A 100 17.511 -15.233 -2.368 1.00 0.00 N ATOM 0 H ASN A 100 13.945 -13.402 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 100 14.734 -14.514 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.534 -12.098 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.695 -13.204 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.067 -15.901 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.198 -15.466 -1.426 1.00 0.00 H new ATOM 1633 N GLY A 101 12.915 -12.621 -0.933 1.00 0.00 N ATOM 1634 CA GLY A 101 12.166 -12.196 0.236 1.00 0.00 C ATOM 1635 C GLY A 101 11.009 -11.282 -0.118 1.00 0.00 C ATOM 1636 O GLY A 101 9.880 -11.739 -0.298 1.00 0.00 O ATOM 0 H GLY A 101 12.396 -12.588 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.785 -13.073 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.835 -11.680 0.925 1.00 0.00 H new ATOM 1640 N LYS A 102 11.289 -9.987 -0.217 1.00 0.00 N ATOM 1641 CA LYS A 102 10.263 -9.006 -0.551 1.00 0.00 C ATOM 1642 C LYS A 102 10.647 -8.222 -1.801 1.00 0.00 C ATOM 1643 O LYS A 102 11.827 -7.979 -2.057 1.00 0.00 O ATOM 1644 CB LYS A 102 10.047 -8.045 0.621 1.00 0.00 C ATOM 1645 CG LYS A 102 11.268 -7.204 0.951 1.00 0.00 C ATOM 1646 CD LYS A 102 11.272 -5.898 0.174 1.00 0.00 C ATOM 1647 CE LYS A 102 11.982 -4.794 0.943 1.00 0.00 C ATOM 1648 NZ LYS A 102 12.311 -3.634 0.070 1.00 0.00 N ATOM 0 H LYS A 102 12.218 -9.592 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 102 9.334 -9.541 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.213 -7.383 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.762 -8.619 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.287 -6.992 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.172 -7.768 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.763 -6.047 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.246 -5.595 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.350 -4.461 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.898 -5.189 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.589 -2.824 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.097 -3.887 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.478 -3.380 -0.498 1.00 0.00 H new ATOM 1662 N THR A 103 9.643 -7.826 -2.578 1.00 0.00 N ATOM 1663 CA THR A 103 9.876 -7.069 -3.801 1.00 0.00 C ATOM 1664 C THR A 103 9.329 -5.651 -3.683 1.00 0.00 C ATOM 1665 O THR A 103 8.455 -5.380 -2.860 1.00 0.00 O ATOM 1666 CB THR A 103 9.230 -7.756 -5.019 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.653 -7.112 -6.226 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.713 -7.716 -4.921 1.00 0.00 C ATOM 0 H THR A 103 8.661 -8.017 -2.381 1.00 0.00 H new ATOM 0 HA THR A 103 10.956 -7.028 -3.946 1.00 0.00 H new ATOM 0 HB THR A 103 9.550 -8.798 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.239 -7.556 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.279 -8.207 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.393 -8.233 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.378 -6.679 -4.884 1.00 0.00 H new ATOM 1676 N GLU A 104 9.848 -4.750 -4.511 1.00 0.00 N ATOM 1677 CA GLU A 104 9.410 -3.359 -4.497 1.00 0.00 C ATOM 1678 C GLU A 104 8.675 -3.008 -5.788 1.00 0.00 C ATOM 1679 O GLU A 104 9.242 -3.086 -6.878 1.00 0.00 O ATOM 1680 CB GLU A 104 10.608 -2.426 -4.309 1.00 0.00 C ATOM 1681 CG GLU A 104 11.275 -2.557 -2.951 1.00 0.00 C ATOM 1682 CD GLU A 104 12.377 -3.599 -2.940 1.00 0.00 C ATOM 1683 OE1 GLU A 104 12.068 -4.788 -2.716 1.00 0.00 O ATOM 1684 OE2 GLU A 104 13.549 -3.224 -3.156 1.00 0.00 O ATOM 0 H GLU A 104 10.571 -4.958 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 104 8.723 -3.229 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.343 -2.632 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.280 -1.396 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.690 -1.592 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.524 -2.820 -2.206 1.00 0.00 H new ATOM 1691 N ILE A 105 7.411 -2.622 -5.655 1.00 0.00 N ATOM 1692 CA ILE A 105 6.598 -2.258 -6.809 1.00 0.00 C ATOM 1693 C ILE A 105 6.037 -0.848 -6.664 1.00 0.00 C ATOM 1694 O ILE A 105 5.576 -0.460 -5.591 1.00 0.00 O ATOM 1695 CB ILE A 105 5.433 -3.244 -7.011 1.00 0.00 C ATOM 1696 CG1 ILE A 105 5.965 -4.668 -7.184 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.595 -2.836 -8.213 1.00 0.00 C ATOM 1698 CD1 ILE A 105 4.913 -5.736 -6.978 1.00 0.00 C ATOM 0 H ILE A 105 6.927 -2.553 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 105 7.252 -2.298 -7.680 1.00 0.00 H new ATOM 0 HB ILE A 105 4.798 -3.219 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.385 -4.771 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.780 -4.831 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.776 -3.543 -8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.190 -1.837 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.218 -2.835 -9.107 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.361 -6.720 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.510 -5.660 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.109 -5.599 -7.701 1.00 0.00 H new ATOM 1710 N TRP A 106 6.078 -0.086 -7.751 1.00 0.00 N ATOM 1711 CA TRP A 106 5.571 1.282 -7.745 1.00 0.00 C ATOM 1712 C TRP A 106 4.192 1.354 -8.392 1.00 0.00 C ATOM 1713 O TRP A 106 4.066 1.310 -9.616 1.00 0.00 O ATOM 1714 CB TRP A 106 6.541 2.210 -8.478 1.00 0.00 C ATOM 1715 CG TRP A 106 7.683 2.670 -7.624 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.911 2.083 -7.513 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.702 3.812 -6.761 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.692 2.792 -6.632 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.974 3.857 -6.158 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.769 4.801 -6.440 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 9.333 4.853 -5.253 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 7.127 5.788 -5.541 1.00 0.00 C ATOM 1723 CH2 TRP A 106 8.400 5.809 -4.957 1.00 0.00 C ATOM 0 H TRP A 106 6.457 -0.392 -8.647 1.00 0.00 H new ATOM 0 HA TRP A 106 5.483 1.606 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.936 1.693 -9.353 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.995 3.080 -8.842 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.222 1.193 -8.040 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.651 2.562 -6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.786 4.794 -6.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 10.314 4.870 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 6.413 6.556 -5.284 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.650 6.595 -4.260 1.00 0.00 H new ATOM 1734 N LEU A 107 3.160 1.465 -7.563 1.00 0.00 N ATOM 1735 CA LEU A 107 1.789 1.544 -8.054 1.00 0.00 C ATOM 1736 C LEU A 107 1.554 2.850 -8.806 1.00 0.00 C ATOM 1737 O LEU A 107 1.941 3.922 -8.342 1.00 0.00 O ATOM 1738 CB LEU A 107 0.802 1.427 -6.892 1.00 0.00 C ATOM 1739 CG LEU A 107 0.720 0.058 -6.216 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.315 0.073 -5.102 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.391 -1.022 -7.237 1.00 0.00 C ATOM 0 H LEU A 107 3.247 1.502 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 107 1.628 0.715 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.070 2.167 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.191 1.690 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 107 1.692 -0.168 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.359 -0.910 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.037 0.819 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.292 0.321 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.337 -1.990 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.568 -0.800 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.169 -1.050 -8.000 1.00 0.00 H new ATOM 1753 N GLU A 108 0.916 2.752 -9.968 1.00 0.00 N ATOM 1754 CA GLU A 108 0.629 3.927 -10.783 1.00 0.00 C ATOM 1755 C GLU A 108 -0.868 4.226 -10.798 1.00 0.00 C ATOM 1756 O GLU A 108 -1.615 3.671 -11.604 1.00 0.00 O ATOM 1757 CB GLU A 108 1.132 3.719 -12.213 1.00 0.00 C ATOM 1758 CG GLU A 108 0.772 2.362 -12.794 1.00 0.00 C ATOM 1759 CD GLU A 108 0.624 2.394 -14.303 1.00 0.00 C ATOM 1760 OE1 GLU A 108 1.031 3.402 -14.918 1.00 0.00 O ATOM 1761 OE2 GLU A 108 0.102 1.411 -14.868 1.00 0.00 O ATOM 0 H GLU A 108 0.588 1.872 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 108 1.148 4.778 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.718 4.499 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.216 3.835 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.542 1.639 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.161 2.016 -12.348 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.298 5.105 -9.900 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.705 5.479 -9.808 1.00 0.00 C ATOM 1770 C LEU A 109 -3.063 6.517 -10.867 1.00 0.00 C ATOM 1771 O LEU A 109 -2.372 7.524 -11.024 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.018 6.026 -8.414 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.319 5.329 -7.247 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.541 6.099 -5.954 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.813 3.896 -7.108 1.00 0.00 C ATOM 0 H LEU A 109 -0.693 5.572 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.305 4.586 -9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.752 7.083 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.095 5.965 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.249 5.305 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.036 5.587 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.138 7.106 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.609 6.156 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.304 3.415 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.888 3.898 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.601 3.347 -8.026 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.149 6.267 -11.590 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.602 7.180 -12.632 1.00 0.00 C ATOM 1789 C LYS A 110 -5.993 7.721 -12.314 1.00 0.00 C ATOM 1790 O LYS A 110 -6.759 7.132 -11.551 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.616 6.473 -13.989 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.235 6.286 -14.592 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.308 6.048 -16.091 1.00 0.00 C ATOM 1794 CE LYS A 110 -3.571 4.585 -16.411 1.00 0.00 C ATOM 1795 NZ LYS A 110 -2.329 3.767 -16.325 1.00 0.00 N ATOM 0 H LYS A 110 -4.732 5.439 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.906 8.018 -12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.089 5.497 -13.876 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.231 7.047 -14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.627 7.169 -14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.739 5.442 -14.113 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.099 6.663 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.373 6.361 -16.556 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.315 4.190 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.992 4.502 -17.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.550 2.776 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.628 4.128 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.941 3.825 -15.362 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.333 8.871 -12.914 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.528 9.674 -13.839 1.00 0.00 C ATOM 1811 C PRO A 111 -4.349 10.349 -13.145 1.00 0.00 C ATOM 1812 O PRO A 111 -3.408 10.798 -13.799 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.518 10.723 -14.353 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.541 10.837 -13.276 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.657 9.467 -12.668 1.00 0.00 C ATOM 0 HA PRO A 111 -5.084 9.065 -14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.025 11.678 -14.533 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -6.969 10.414 -15.296 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.241 11.571 -12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.498 11.167 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.883 9.518 -11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.452 8.886 -13.135 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.409 10.418 -11.819 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.346 11.039 -11.038 1.00 0.00 C ATOM 1825 C GLN A 112 -3.133 10.297 -9.723 1.00 0.00 C ATOM 1826 O GLN A 112 -4.037 9.629 -9.222 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.678 12.506 -10.762 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.804 12.698 -9.759 1.00 0.00 C ATOM 1829 CD GLN A 112 -5.149 14.157 -9.541 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -4.655 14.792 -8.608 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -6.002 14.700 -10.402 1.00 0.00 N ATOM 0 H GLN A 112 -5.182 10.052 -11.263 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.424 10.986 -11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.784 13.009 -10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.951 12.990 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.690 12.167 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.518 12.250 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.388 14.138 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.271 15.679 -10.304 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.931 10.420 -9.167 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.621 9.756 -7.915 1.00 0.00 C ATOM 1842 C GLY A 113 -0.632 8.620 -8.090 1.00 0.00 C ATOM 1843 O GLY A 113 -0.680 7.895 -9.083 1.00 0.00 O ATOM 0 H GLY A 113 -1.167 10.968 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.214 10.483 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.540 9.369 -7.475 1.00 0.00 H new ATOM 1847 N ARG A 114 0.268 8.468 -7.124 1.00 0.00 N ATOM 1848 CA ARG A 114 1.275 7.414 -7.178 1.00 0.00 C ATOM 1849 C ARG A 114 1.874 7.164 -5.797 1.00 0.00 C ATOM 1850 O ARG A 114 2.084 8.098 -5.023 1.00 0.00 O ATOM 1851 CB ARG A 114 2.381 7.787 -8.166 1.00 0.00 C ATOM 1852 CG ARG A 114 3.145 9.043 -7.780 1.00 0.00 C ATOM 1853 CD ARG A 114 4.088 9.485 -8.888 1.00 0.00 C ATOM 1854 NE ARG A 114 4.597 10.836 -8.667 1.00 0.00 N ATOM 1855 CZ ARG A 114 5.503 11.138 -7.744 1.00 0.00 C ATOM 1856 NH1 ARG A 114 5.997 10.190 -6.960 1.00 0.00 N ATOM 1857 NH2 ARG A 114 5.917 12.391 -7.604 1.00 0.00 N ATOM 0 H ARG A 114 0.321 9.060 -6.295 1.00 0.00 H new ATOM 0 HA ARG A 114 0.790 6.498 -7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.082 6.956 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.942 7.928 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.441 9.845 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.714 8.858 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.924 8.789 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.567 9.446 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 114 4.237 11.589 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.681 9.226 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.693 10.425 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.539 13.123 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.613 12.622 -6.895 1.00 0.00 H new ATOM 1871 N MET A 115 2.146 5.899 -5.496 1.00 0.00 N ATOM 1872 CA MET A 115 2.722 5.527 -4.209 1.00 0.00 C ATOM 1873 C MET A 115 3.611 4.295 -4.347 1.00 0.00 C ATOM 1874 O MET A 115 3.612 3.630 -5.384 1.00 0.00 O ATOM 1875 CB MET A 115 1.614 5.259 -3.189 1.00 0.00 C ATOM 1876 CG MET A 115 0.544 4.303 -3.691 1.00 0.00 C ATOM 1877 SD MET A 115 -0.542 3.722 -2.374 1.00 0.00 S ATOM 1878 CE MET A 115 -1.838 4.957 -2.433 1.00 0.00 C ATOM 0 H MET A 115 1.977 5.114 -6.125 1.00 0.00 H new ATOM 0 HA MET A 115 3.335 6.358 -3.859 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.058 4.850 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.146 6.205 -2.917 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.053 4.801 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 115 1.022 3.447 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.056 5.304 -1.423 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.511 5.799 -3.044 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.737 4.521 -2.868 1.00 0.00 H new ATOM 1888 N LEU A 116 4.367 3.995 -3.296 1.00 0.00 N ATOM 1889 CA LEU A 116 5.261 2.843 -3.300 1.00 0.00 C ATOM 1890 C LEU A 116 4.647 1.674 -2.536 1.00 0.00 C ATOM 1891 O LEU A 116 4.330 1.791 -1.353 1.00 0.00 O ATOM 1892 CB LEU A 116 6.610 3.217 -2.684 1.00 0.00 C ATOM 1893 CG LEU A 116 7.588 2.063 -2.458 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.908 1.369 -3.772 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.861 2.566 -1.793 1.00 0.00 C ATOM 0 H LEU A 116 4.378 4.534 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 116 5.413 2.537 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.090 3.953 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.427 3.704 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 116 7.118 1.338 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.605 0.551 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.990 0.974 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.358 2.084 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.546 1.732 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.335 3.312 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.616 3.016 -0.831 1.00 0.00 H new ATOM 1907 N MET A 117 4.482 0.547 -3.221 1.00 0.00 N ATOM 1908 CA MET A 117 3.909 -0.644 -2.605 1.00 0.00 C ATOM 1909 C MET A 117 4.983 -1.698 -2.358 1.00 0.00 C ATOM 1910 O MET A 117 5.559 -2.244 -3.298 1.00 0.00 O ATOM 1911 CB MET A 117 2.806 -1.222 -3.494 1.00 0.00 C ATOM 1912 CG MET A 117 2.027 -2.351 -2.838 1.00 0.00 C ATOM 1913 SD MET A 117 0.926 -3.195 -3.989 1.00 0.00 S ATOM 1914 CE MET A 117 2.102 -4.146 -4.949 1.00 0.00 C ATOM 0 H MET A 117 4.737 0.434 -4.202 1.00 0.00 H new ATOM 0 HA MET A 117 3.480 -0.356 -1.645 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.115 -0.425 -3.766 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.251 -1.588 -4.419 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.727 -3.072 -2.415 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.443 -1.951 -2.010 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.596 -4.998 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.526 -3.517 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 117 2.900 -4.502 -4.298 1.00 0.00 H new ATOM 1924 N ASN A 118 5.248 -1.980 -1.086 1.00 0.00 N ATOM 1925 CA ASN A 118 6.254 -2.968 -0.715 1.00 0.00 C ATOM 1926 C ASN A 118 5.612 -4.160 -0.011 1.00 0.00 C ATOM 1927 O ASN A 118 5.138 -4.045 1.119 1.00 0.00 O ATOM 1928 CB ASN A 118 7.311 -2.335 0.192 1.00 0.00 C ATOM 1929 CG ASN A 118 7.937 -1.100 -0.426 1.00 0.00 C ATOM 1930 OD1 ASN A 118 8.030 -0.051 0.213 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.371 -1.218 -1.676 1.00 0.00 N ATOM 0 H ASN A 118 4.780 -1.538 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 118 6.733 -3.322 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.856 -2.070 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 118 8.090 -3.067 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.802 -0.420 -2.144 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.274 -2.106 -2.168 1.00 0.00 H new ATOM 1938 N ALA A 119 5.601 -5.304 -0.687 1.00 0.00 N ATOM 1939 CA ALA A 119 5.020 -6.517 -0.125 1.00 0.00 C ATOM 1940 C ALA A 119 6.101 -7.434 0.437 1.00 0.00 C ATOM 1941 O ALA A 119 7.056 -7.784 -0.258 1.00 0.00 O ATOM 1942 CB ALA A 119 4.202 -7.248 -1.180 1.00 0.00 C ATOM 0 H ALA A 119 5.988 -5.416 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 119 4.362 -6.229 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.774 -8.152 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.400 -6.599 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.846 -7.517 -2.018 1.00 0.00 H new ATOM 1948 N ARG A 120 5.946 -7.820 1.699 1.00 0.00 N ATOM 1949 CA ARG A 120 6.910 -8.695 2.355 1.00 0.00 C ATOM 1950 C ARG A 120 6.359 -10.112 2.484 1.00 0.00 C ATOM 1951 O ARG A 120 5.146 -10.314 2.537 1.00 0.00 O ATOM 1952 CB ARG A 120 7.269 -8.148 3.738 1.00 0.00 C ATOM 1953 CG ARG A 120 8.140 -6.903 3.694 1.00 0.00 C ATOM 1954 CD ARG A 120 7.300 -5.638 3.618 1.00 0.00 C ATOM 1955 NE ARG A 120 8.052 -4.456 4.029 1.00 0.00 N ATOM 1956 CZ ARG A 120 8.242 -4.111 5.298 1.00 0.00 C ATOM 1957 NH1 ARG A 120 7.739 -4.855 6.273 1.00 0.00 N ATOM 1958 NH2 ARG A 120 8.938 -3.020 5.593 1.00 0.00 N ATOM 0 H ARG A 120 5.162 -7.540 2.288 1.00 0.00 H new ATOM 0 HA ARG A 120 7.809 -8.728 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.350 -7.919 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.787 -8.923 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.772 -6.868 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.804 -6.953 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.941 -5.502 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.421 -5.748 4.254 1.00 0.00 H new ATOM 0 HE ARG A 120 8.453 -3.863 3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.205 -5.695 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.886 -4.588 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.327 -2.446 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.083 -2.756 6.567 1.00 0.00 H new ATOM 1972 N TYR A 121 7.258 -11.088 2.533 1.00 0.00 N ATOM 1973 CA TYR A 121 6.862 -12.486 2.652 1.00 0.00 C ATOM 1974 C TYR A 121 6.936 -12.951 4.104 1.00 0.00 C ATOM 1975 O TYR A 121 7.976 -12.835 4.753 1.00 0.00 O ATOM 1976 CB TYR A 121 7.755 -13.368 1.777 1.00 0.00 C ATOM 1977 CG TYR A 121 7.125 -14.693 1.411 1.00 0.00 C ATOM 1978 CD1 TYR A 121 6.058 -14.756 0.523 1.00 0.00 C ATOM 1979 CD2 TYR A 121 7.598 -15.882 1.953 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.480 -15.965 0.187 1.00 0.00 C ATOM 1981 CE2 TYR A 121 7.027 -17.095 1.621 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.968 -17.131 0.739 1.00 0.00 C ATOM 1983 OH TYR A 121 5.395 -18.337 0.405 1.00 0.00 O ATOM 0 H TYR A 121 8.266 -10.937 2.492 1.00 0.00 H new ATOM 0 HA TYR A 121 5.830 -12.575 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 121 8.001 -12.828 0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.693 -13.553 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.674 -13.845 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.426 -15.857 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.651 -15.997 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 121 7.408 -18.010 2.050 1.00 0.00 H new ATOM 0 HH TYR A 121 5.856 -19.061 0.879 1.00 0.00 H new ATOM 1993 N PHE A 122 5.825 -13.480 4.606 1.00 0.00 N ATOM 1994 CA PHE A 122 5.762 -13.964 5.980 1.00 0.00 C ATOM 1995 C PHE A 122 4.897 -15.217 6.077 1.00 0.00 C ATOM 1996 O PHE A 122 4.213 -15.589 5.122 1.00 0.00 O ATOM 1997 CB PHE A 122 5.207 -12.875 6.901 1.00 0.00 C ATOM 1998 CG PHE A 122 6.089 -11.663 6.996 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.355 -11.753 7.550 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.651 -10.433 6.531 1.00 0.00 C ATOM 2001 CE1 PHE A 122 8.170 -10.640 7.639 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.461 -9.317 6.617 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.721 -9.420 7.173 1.00 0.00 C ATOM 0 H PHE A 122 4.956 -13.584 4.082 1.00 0.00 H new ATOM 0 HA PHE A 122 6.774 -14.218 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.224 -12.572 6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.066 -13.291 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.710 -12.705 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.666 -10.346 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 122 9.156 -10.724 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.109 -8.364 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.354 -8.548 7.243 1.00 0.00 H new ATOM 2013 N LEU A 123 4.933 -15.865 7.236 1.00 0.00 N ATOM 2014 CA LEU A 123 4.153 -17.078 7.459 1.00 0.00 C ATOM 2015 C LEU A 123 3.188 -16.898 8.625 1.00 0.00 C ATOM 2016 O LEU A 123 3.577 -16.444 9.701 1.00 0.00 O ATOM 2017 CB LEU A 123 5.082 -18.263 7.729 1.00 0.00 C ATOM 2018 CG LEU A 123 5.538 -19.052 6.501 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.377 -19.837 5.911 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.138 -18.120 5.460 1.00 0.00 C ATOM 0 H LEU A 123 5.494 -15.571 8.036 1.00 0.00 H new ATOM 0 HA LEU A 123 3.572 -17.277 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.967 -17.894 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.576 -18.948 8.409 1.00 0.00 H new ATOM 0 HG LEU A 123 6.307 -19.759 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.720 -20.392 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.993 -20.533 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.585 -19.149 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.457 -18.699 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.391 -17.389 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.997 -17.603 5.887 1.00 0.00 H new