USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 CYS SG : rot 149:sc= 0.626 USER MOD Set 1.2: A 47 CYS SG : rot -46:sc= 0.446 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.739 USER MOD Set 1.4: A 74 CYS SG : rot 101:sc= 0.0534 USER MOD Set 2.1: A 29 CYS SG : rot 166:sc= 0.671 USER MOD Set 2.2: A 32 CYS SG : rot -61:sc= 0.708 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.34 X(o=0.56,f=0.43) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.524 USER MOD Set 3.1: A 13 CYS SG : rot 158:sc= 0.849 USER MOD Set 3.2: A 16 CYS SG : rot -48:sc= 0.924 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.232 USER MOD Set 3.4: A 27 CYS SG : rot 140:sc= 0.932 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.0548 (180deg=-0.383) USER MOD Single : A 25 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -90:sc= -0.696 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.136) USER MOD Single : A 36 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.66) USER MOD Single : A 39 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.2) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.0907 (180deg=-0.426) USER MOD Single : A 41 GLN : amide:sc= -1.97 K(o=-2,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.046) USER MOD Single : A 51 TYR OH : rot -140:sc= -0.63 USER MOD Single : A 54 TYR OH : rot 155:sc= 0.816 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 0.336 (180deg=0.122) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -10.081 11.453 10.522 1.00 0.00 N ATOM 146 CA CYS A 13 -9.401 10.669 11.545 1.00 0.00 C ATOM 147 C CYS A 13 -9.709 11.209 12.939 1.00 0.00 C ATOM 148 O CYS A 13 -9.572 12.405 13.197 1.00 0.00 O ATOM 149 CB CYS A 13 -7.890 10.680 11.306 1.00 0.00 C ATOM 150 SG CYS A 13 -6.944 9.654 12.477 1.00 0.00 S ATOM 0 HA CYS A 13 -9.765 9.644 11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.691 10.333 10.292 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.531 11.707 11.367 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.798 9.339 11.950 1.00 0.00 H new ATOM 155 N ASP A 14 -10.127 10.320 13.833 1.00 0.00 N ATOM 156 CA ASP A 14 -10.454 10.706 15.200 1.00 0.00 C ATOM 157 C ASP A 14 -9.242 10.550 16.114 1.00 0.00 C ATOM 158 O ASP A 14 -9.091 11.281 17.094 1.00 0.00 O ATOM 159 CB ASP A 14 -11.617 9.864 15.727 1.00 0.00 C ATOM 160 CG ASP A 14 -12.848 10.697 16.023 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.690 11.842 16.497 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.970 10.206 15.779 1.00 0.00 O ATOM 0 H ASP A 14 -10.247 9.327 13.635 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.749 11.755 15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.868 9.098 14.994 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.305 9.347 16.634 1.00 0.00 H new ATOM 167 N LEU A 15 -8.382 9.592 15.787 1.00 0.00 N ATOM 168 CA LEU A 15 -7.183 9.338 16.579 1.00 0.00 C ATOM 169 C LEU A 15 -6.366 10.614 16.754 1.00 0.00 C ATOM 170 O LEU A 15 -6.292 11.171 17.850 1.00 0.00 O ATOM 171 CB LEU A 15 -6.327 8.259 15.913 1.00 0.00 C ATOM 172 CG LEU A 15 -6.491 6.840 16.460 1.00 0.00 C ATOM 173 CD1 LEU A 15 -6.156 6.798 17.942 1.00 0.00 C ATOM 174 CD2 LEU A 15 -7.905 6.335 16.216 1.00 0.00 C ATOM 0 H LEU A 15 -8.492 8.979 14.980 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.495 8.990 17.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.559 8.245 14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.279 8.545 16.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.797 6.185 15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.278 5.781 18.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.125 7.117 18.091 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.825 7.466 18.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.004 5.324 16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.617 6.991 16.716 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.109 6.327 15.145 1.00 0.00 H new ATOM 186 N CYS A 16 -5.756 11.075 15.667 1.00 0.00 N ATOM 187 CA CYS A 16 -4.946 12.286 15.699 1.00 0.00 C ATOM 188 C CYS A 16 -5.788 13.513 15.360 1.00 0.00 C ATOM 189 O CYS A 16 -5.495 14.622 15.803 1.00 0.00 O ATOM 190 CB CYS A 16 -3.777 12.170 14.719 1.00 0.00 C ATOM 191 SG CYS A 16 -4.279 12.098 12.969 1.00 0.00 S ATOM 0 H CYS A 16 -5.808 10.627 14.752 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.554 12.403 16.709 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.112 13.022 14.861 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.203 11.275 14.959 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.226 11.220 12.825 1.00 0.00 H new ATOM 196 N GLY A 17 -6.837 13.304 14.570 1.00 0.00 N ATOM 197 CA GLY A 17 -7.706 14.400 14.184 1.00 0.00 C ATOM 198 C GLY A 17 -7.631 14.705 12.702 1.00 0.00 C ATOM 199 O GLY A 17 -8.657 14.822 12.032 1.00 0.00 O ATOM 0 H GLY A 17 -7.100 12.395 14.190 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.734 14.155 14.450 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.434 15.291 14.749 1.00 0.00 H new ATOM 203 N GLY A 18 -6.413 14.837 12.186 1.00 0.00 N ATOM 204 CA GLY A 18 -6.231 15.131 10.777 1.00 0.00 C ATOM 205 C GLY A 18 -5.140 16.155 10.535 1.00 0.00 C ATOM 206 O GLY A 18 -5.392 17.217 9.965 1.00 0.00 O ATOM 0 H GLY A 18 -5.548 14.745 12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.986 14.211 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.169 15.499 10.362 1.00 0.00 H new ATOM 210 N ASP A 19 -3.926 15.838 10.969 1.00 0.00 N ATOM 211 CA ASP A 19 -2.792 16.739 10.797 1.00 0.00 C ATOM 212 C ASP A 19 -1.477 15.967 10.811 1.00 0.00 C ATOM 213 O ASP A 19 -1.369 14.887 11.393 1.00 0.00 O ATOM 214 CB ASP A 19 -2.787 17.802 11.897 1.00 0.00 C ATOM 215 CG ASP A 19 -3.070 19.191 11.361 1.00 0.00 C ATOM 216 OD1 ASP A 19 -4.255 19.503 11.118 1.00 0.00 O ATOM 217 OD2 ASP A 19 -2.108 19.967 11.183 1.00 0.00 O ATOM 0 H ASP A 19 -3.701 14.963 11.443 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.893 17.230 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.534 17.547 12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.818 17.799 12.397 1.00 0.00 H new ATOM 222 N PRO A 20 -0.452 16.531 10.156 1.00 0.00 N ATOM 223 CA PRO A 20 0.875 15.913 10.078 1.00 0.00 C ATOM 224 C PRO A 20 1.599 15.924 11.420 1.00 0.00 C ATOM 225 O PRO A 20 2.131 14.904 11.857 1.00 0.00 O ATOM 226 CB PRO A 20 1.616 16.788 9.063 1.00 0.00 C ATOM 227 CG PRO A 20 0.934 18.110 9.135 1.00 0.00 C ATOM 228 CD PRO A 20 -0.509 17.817 9.440 1.00 0.00 C ATOM 0 HA PRO A 20 0.819 14.862 9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.674 16.874 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.558 16.366 8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.377 18.736 9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.032 18.651 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.957 18.599 10.053 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.105 17.744 8.530 1.00 0.00 H new ATOM 236 N GLU A 21 1.616 17.084 12.069 1.00 0.00 N ATOM 237 CA GLU A 21 2.276 17.227 13.361 1.00 0.00 C ATOM 238 C GLU A 21 1.721 16.223 14.369 1.00 0.00 C ATOM 239 O GLU A 21 2.461 15.412 14.925 1.00 0.00 O ATOM 240 CB GLU A 21 2.101 18.650 13.894 1.00 0.00 C ATOM 241 CG GLU A 21 3.046 19.658 13.260 1.00 0.00 C ATOM 242 CD GLU A 21 4.401 19.694 13.939 1.00 0.00 C ATOM 243 OE1 GLU A 21 4.925 18.611 14.274 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.938 20.804 14.135 1.00 0.00 O ATOM 0 H GLU A 21 1.180 17.938 11.721 1.00 0.00 H new ATOM 0 HA GLU A 21 3.338 17.027 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.073 18.970 13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.257 18.647 14.973 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.178 19.413 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.596 20.650 13.303 1.00 0.00 H new ATOM 251 N LYS A 22 0.414 16.286 14.599 1.00 0.00 N ATOM 252 CA LYS A 22 -0.242 15.383 15.538 1.00 0.00 C ATOM 253 C LYS A 22 0.060 13.928 15.195 1.00 0.00 C ATOM 254 O LYS A 22 -0.530 13.360 14.276 1.00 0.00 O ATOM 255 CB LYS A 22 -1.754 15.617 15.530 1.00 0.00 C ATOM 256 CG LYS A 22 -2.156 17.013 15.973 1.00 0.00 C ATOM 257 CD LYS A 22 -3.662 17.137 16.128 1.00 0.00 C ATOM 258 CE LYS A 22 -4.128 18.570 15.919 1.00 0.00 C ATOM 259 NZ LYS A 22 -5.219 18.942 16.863 1.00 0.00 N ATOM 0 H LYS A 22 -0.212 16.953 14.148 1.00 0.00 H new ATOM 0 HA LYS A 22 0.146 15.591 16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.135 15.440 14.524 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.230 14.886 16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.671 17.249 16.920 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.803 17.743 15.244 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.158 16.484 15.410 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.956 16.799 17.122 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.286 19.249 16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.477 18.692 14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.509 19.925 16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.033 18.311 16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.878 18.850 17.841 1.00 0.00 H new ATOM 273 N LYS A 23 0.982 13.328 15.941 1.00 0.00 N ATOM 274 CA LYS A 23 1.361 11.938 15.719 1.00 0.00 C ATOM 275 C LYS A 23 0.133 11.032 15.728 1.00 0.00 C ATOM 276 O LYS A 23 -0.857 11.317 16.401 1.00 0.00 O ATOM 277 CB LYS A 23 2.353 11.481 16.791 1.00 0.00 C ATOM 278 CG LYS A 23 3.275 10.366 16.330 1.00 0.00 C ATOM 279 CD LYS A 23 4.106 9.818 17.478 1.00 0.00 C ATOM 280 CE LYS A 23 5.589 9.813 17.141 1.00 0.00 C ATOM 281 NZ LYS A 23 6.105 11.187 16.886 1.00 0.00 N ATOM 0 H LYS A 23 1.481 13.784 16.705 1.00 0.00 H new ATOM 0 HA LYS A 23 1.836 11.868 14.740 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.956 12.334 17.104 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.799 11.144 17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.684 9.562 15.892 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.936 10.739 15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.937 10.420 18.371 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.782 8.804 17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.146 9.362 17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.759 9.192 16.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.124 11.219 17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.947 11.438 15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.605 11.864 17.497 1.00 0.00 H new ATOM 295 N CYS A 24 0.206 9.938 14.977 1.00 0.00 N ATOM 296 CA CYS A 24 -0.897 8.989 14.898 1.00 0.00 C ATOM 297 C CYS A 24 -0.378 7.564 14.728 1.00 0.00 C ATOM 298 O CYS A 24 0.706 7.347 14.186 1.00 0.00 O ATOM 299 CB CYS A 24 -1.825 9.348 13.735 1.00 0.00 C ATOM 300 SG CYS A 24 -3.501 8.651 13.879 1.00 0.00 S ATOM 0 H CYS A 24 1.019 9.687 14.414 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.457 9.044 15.831 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.899 10.433 13.665 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.376 8.999 12.805 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.090 8.695 12.721 1.00 0.00 H new ATOM 305 N HIS A 25 -1.160 6.595 15.194 1.00 0.00 N ATOM 306 CA HIS A 25 -0.781 5.191 15.093 1.00 0.00 C ATOM 307 C HIS A 25 -1.432 4.538 13.878 1.00 0.00 C ATOM 308 O HIS A 25 -0.919 3.558 13.337 1.00 0.00 O ATOM 309 CB HIS A 25 -1.179 4.440 16.364 1.00 0.00 C ATOM 310 CG HIS A 25 -0.029 4.168 17.284 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.101 3.480 16.894 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.163 4.497 18.583 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.937 3.396 17.913 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.392 4.006 18.951 1.00 0.00 N ATOM 0 H HIS A 25 -2.060 6.757 15.645 1.00 0.00 H new ATOM 0 HA HIS A 25 0.301 5.141 14.974 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.932 5.020 16.898 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.643 3.494 16.087 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.523 5.044 19.213 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.902 2.911 17.900 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.815 4.097 19.875 1.00 0.00 H new ATOM 322 N SER A 26 -2.566 5.087 13.454 1.00 0.00 N ATOM 323 CA SER A 26 -3.290 4.556 12.305 1.00 0.00 C ATOM 324 C SER A 26 -2.773 5.167 11.007 1.00 0.00 C ATOM 325 O SER A 26 -2.378 4.453 10.084 1.00 0.00 O ATOM 326 CB SER A 26 -4.789 4.828 12.449 1.00 0.00 C ATOM 327 OG SER A 26 -5.466 4.615 11.223 1.00 0.00 O ATOM 0 H SER A 26 -3.003 5.899 13.889 1.00 0.00 H new ATOM 0 HA SER A 26 -3.125 3.479 12.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.208 4.178 13.217 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.945 5.854 12.781 1.00 0.00 H new ATOM 0 HG SER A 26 -6.422 4.794 11.342 1.00 0.00 H new ATOM 333 N CYS A 27 -2.778 6.494 10.942 1.00 0.00 N ATOM 334 CA CYS A 27 -2.311 7.204 9.757 1.00 0.00 C ATOM 335 C CYS A 27 -0.887 6.788 9.400 1.00 0.00 C ATOM 336 O CYS A 27 -0.478 6.868 8.242 1.00 0.00 O ATOM 337 CB CYS A 27 -2.370 8.716 9.987 1.00 0.00 C ATOM 338 SG CYS A 27 -4.050 9.360 10.273 1.00 0.00 S ATOM 0 H CYS A 27 -3.100 7.100 11.697 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.966 6.944 8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.745 8.967 10.844 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.941 9.221 9.122 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.013 10.272 11.199 1.00 0.00 H new ATOM 343 N SER A 28 -0.137 6.344 10.404 1.00 0.00 N ATOM 344 CA SER A 28 1.242 5.918 10.197 1.00 0.00 C ATOM 345 C SER A 28 1.482 4.539 10.803 1.00 0.00 C ATOM 346 O SER A 28 0.542 3.854 11.208 1.00 0.00 O ATOM 347 CB SER A 28 2.209 6.933 10.811 1.00 0.00 C ATOM 348 OG SER A 28 3.141 7.396 9.850 1.00 0.00 O ATOM 0 H SER A 28 -0.461 6.270 11.368 1.00 0.00 H new ATOM 0 HA SER A 28 1.421 5.859 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.648 7.776 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.740 6.475 11.646 1.00 0.00 H new ATOM 0 HG SER A 28 3.932 6.818 9.857 1.00 0.00 H new ATOM 354 N CYS A 29 2.747 4.137 10.862 1.00 0.00 N ATOM 355 CA CYS A 29 3.113 2.840 11.418 1.00 0.00 C ATOM 356 C CYS A 29 2.499 2.648 12.802 1.00 0.00 C ATOM 357 O CYS A 29 2.669 3.485 13.689 1.00 0.00 O ATOM 358 CB CYS A 29 4.635 2.708 11.501 1.00 0.00 C ATOM 359 SG CYS A 29 5.218 1.016 11.840 1.00 0.00 S ATOM 0 H CYS A 29 3.537 4.691 10.531 1.00 0.00 H new ATOM 0 HA CYS A 29 2.723 2.067 10.756 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.070 3.049 10.562 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.004 3.371 12.283 1.00 0.00 H new ATOM 0 HG CYS A 29 6.495 0.942 11.606 1.00 0.00 H new ATOM 364 N ARG A 30 1.785 1.541 12.978 1.00 0.00 N ATOM 365 CA ARG A 30 1.145 1.239 14.252 1.00 0.00 C ATOM 366 C ARG A 30 2.042 0.358 15.116 1.00 0.00 C ATOM 367 O ARG A 30 1.874 0.287 16.334 1.00 0.00 O ATOM 368 CB ARG A 30 -0.199 0.546 14.021 1.00 0.00 C ATOM 369 CG ARG A 30 -1.249 0.888 15.065 1.00 0.00 C ATOM 370 CD ARG A 30 -2.548 1.346 14.421 1.00 0.00 C ATOM 371 NE ARG A 30 -3.717 0.757 15.067 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.079 -0.513 14.916 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.365 -1.321 14.146 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.156 -0.975 15.538 1.00 0.00 N ATOM 0 H ARG A 30 1.635 0.838 12.254 1.00 0.00 H new ATOM 0 HA ARG A 30 0.975 2.180 14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.575 0.822 13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.045 -0.533 14.013 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.440 0.016 15.690 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.870 1.673 15.720 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.615 2.433 14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.543 1.077 13.365 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.287 1.353 15.667 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.536 -0.969 13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.645 -2.295 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.707 -0.355 16.132 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.433 -1.950 15.422 1.00 0.00 H new ATOM 388 N VAL A 31 2.996 -0.313 14.478 1.00 0.00 N ATOM 389 CA VAL A 31 3.920 -1.189 15.187 1.00 0.00 C ATOM 390 C VAL A 31 4.860 -0.389 16.081 1.00 0.00 C ATOM 391 O VAL A 31 4.721 -0.387 17.304 1.00 0.00 O ATOM 392 CB VAL A 31 4.756 -2.035 14.208 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.748 -2.904 14.965 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.849 -2.885 13.331 1.00 0.00 C ATOM 0 H VAL A 31 3.149 -0.266 13.471 1.00 0.00 H new ATOM 0 HA VAL A 31 3.315 -1.853 15.804 1.00 0.00 H new ATOM 0 HB VAL A 31 5.320 -1.362 13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.329 -3.494 14.257 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.418 -2.270 15.545 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.208 -3.572 15.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.456 -3.476 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.257 -3.551 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.184 -2.237 12.760 1.00 0.00 H new ATOM 404 N CYS A 32 5.819 0.293 15.462 1.00 0.00 N ATOM 405 CA CYS A 32 6.783 1.099 16.200 1.00 0.00 C ATOM 406 C CYS A 32 6.172 2.434 16.615 1.00 0.00 C ATOM 407 O CYS A 32 6.599 3.047 17.593 1.00 0.00 O ATOM 408 CB CYS A 32 8.034 1.339 15.351 1.00 0.00 C ATOM 409 SG CYS A 32 7.782 2.498 13.968 1.00 0.00 S ATOM 0 H CYS A 32 5.948 0.303 14.450 1.00 0.00 H new ATOM 0 HA CYS A 32 7.062 0.553 17.101 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.828 1.722 15.992 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.379 0.385 14.953 1.00 0.00 H new ATOM 0 HG CYS A 32 6.875 2.025 13.166 1.00 0.00 H new ATOM 414 N GLY A 33 5.169 2.878 15.865 1.00 0.00 N ATOM 415 CA GLY A 33 4.515 4.137 16.170 1.00 0.00 C ATOM 416 C GLY A 33 5.305 5.335 15.680 1.00 0.00 C ATOM 417 O GLY A 33 5.442 6.330 16.390 1.00 0.00 O ATOM 0 H GLY A 33 4.797 2.388 15.051 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.525 4.148 15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.371 4.217 17.248 1.00 0.00 H new ATOM 421 N GLY A 34 5.829 5.238 14.462 1.00 0.00 N ATOM 422 CA GLY A 34 6.605 6.328 13.899 1.00 0.00 C ATOM 423 C GLY A 34 5.893 7.013 12.750 1.00 0.00 C ATOM 424 O GLY A 34 5.115 6.388 12.030 1.00 0.00 O ATOM 0 H GLY A 34 5.730 4.424 13.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.817 7.059 14.679 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.565 5.945 13.551 1.00 0.00 H new ATOM 428 N LYS A 35 6.159 8.304 12.577 1.00 0.00 N ATOM 429 CA LYS A 35 5.539 9.076 11.507 1.00 0.00 C ATOM 430 C LYS A 35 6.589 9.593 10.529 1.00 0.00 C ATOM 431 O LYS A 35 6.648 10.789 10.240 1.00 0.00 O ATOM 432 CB LYS A 35 4.748 10.250 12.090 1.00 0.00 C ATOM 433 CG LYS A 35 3.591 10.698 11.214 1.00 0.00 C ATOM 434 CD LYS A 35 2.635 11.602 11.974 1.00 0.00 C ATOM 435 CE LYS A 35 1.250 11.603 11.345 1.00 0.00 C ATOM 436 NZ LYS A 35 1.292 12.007 9.912 1.00 0.00 N ATOM 0 H LYS A 35 6.800 8.837 13.165 1.00 0.00 H new ATOM 0 HA LYS A 35 4.858 8.419 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.363 9.967 13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.423 11.092 12.244 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.977 11.226 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.053 9.825 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.565 11.270 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.029 12.618 11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.812 10.608 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.602 12.284 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.322 12.110 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.793 12.914 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.790 11.279 9.361 1.00 0.00 H new ATOM 450 N HIS A 36 7.416 8.685 10.021 1.00 0.00 N ATOM 451 CA HIS A 36 8.463 9.049 9.074 1.00 0.00 C ATOM 452 C HIS A 36 8.516 8.059 7.914 1.00 0.00 C ATOM 453 O HIS A 36 7.889 7.001 7.961 1.00 0.00 O ATOM 454 CB HIS A 36 9.820 9.102 9.776 1.00 0.00 C ATOM 455 CG HIS A 36 10.092 7.911 10.644 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.524 7.742 11.889 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.876 6.827 10.439 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.948 6.606 12.413 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.769 6.031 11.553 1.00 0.00 N ATOM 0 H HIS A 36 7.381 7.692 10.250 1.00 0.00 H new ATOM 0 HA HIS A 36 8.230 10.036 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.606 9.181 9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.870 10.004 10.385 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.474 6.626 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.670 6.214 13.380 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.246 5.140 11.693 1.00 0.00 H new ATOM 467 N GLU A 37 9.266 8.410 6.875 1.00 0.00 N ATOM 468 CA GLU A 37 9.398 7.552 5.703 1.00 0.00 C ATOM 469 C GLU A 37 8.028 7.203 5.128 1.00 0.00 C ATOM 470 O GLU A 37 7.596 6.051 5.143 1.00 0.00 O ATOM 471 CB GLU A 37 10.153 6.271 6.064 1.00 0.00 C ATOM 472 CG GLU A 37 11.640 6.485 6.290 1.00 0.00 C ATOM 473 CD GLU A 37 12.473 5.294 5.858 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.786 5.194 4.653 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.812 4.462 6.725 1.00 0.00 O ATOM 0 H GLU A 37 9.792 9.282 6.820 1.00 0.00 H new ATOM 0 HA GLU A 37 9.963 8.097 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.715 5.843 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.017 5.541 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.964 7.369 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.818 6.684 7.347 1.00 0.00 H new ATOM 482 N PRO A 38 7.328 8.223 4.608 1.00 0.00 N ATOM 483 CA PRO A 38 5.997 8.050 4.018 1.00 0.00 C ATOM 484 C PRO A 38 6.042 7.281 2.702 1.00 0.00 C ATOM 485 O PRO A 38 5.043 6.706 2.274 1.00 0.00 O ATOM 486 CB PRO A 38 5.524 9.486 3.783 1.00 0.00 C ATOM 487 CG PRO A 38 6.777 10.281 3.652 1.00 0.00 C ATOM 488 CD PRO A 38 7.781 9.623 4.557 1.00 0.00 C ATOM 0 HA PRO A 38 5.337 7.470 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.913 9.559 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.914 9.843 4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.128 10.289 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.613 11.319 3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.793 9.704 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.789 10.079 5.547 1.00 0.00 H new ATOM 496 N ASN A 39 7.208 7.277 2.064 1.00 0.00 N ATOM 497 CA ASN A 39 7.383 6.579 0.796 1.00 0.00 C ATOM 498 C ASN A 39 7.546 5.078 1.019 1.00 0.00 C ATOM 499 O ASN A 39 7.223 4.272 0.147 1.00 0.00 O ATOM 500 CB ASN A 39 8.599 7.130 0.050 1.00 0.00 C ATOM 501 CG ASN A 39 9.900 6.515 0.529 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.481 5.662 -0.142 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.363 6.945 1.697 1.00 0.00 N ATOM 0 H ASN A 39 8.045 7.749 2.405 1.00 0.00 H new ATOM 0 HA ASN A 39 6.490 6.744 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.483 6.942 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.642 8.211 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.233 6.566 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.849 7.654 2.220 1.00 0.00 H new ATOM 510 N MET A 40 8.050 4.711 2.193 1.00 0.00 N ATOM 511 CA MET A 40 8.254 3.307 2.531 1.00 0.00 C ATOM 512 C MET A 40 7.117 2.788 3.405 1.00 0.00 C ATOM 513 O MET A 40 7.300 1.852 4.183 1.00 0.00 O ATOM 514 CB MET A 40 9.591 3.124 3.251 1.00 0.00 C ATOM 515 CG MET A 40 10.788 3.593 2.439 1.00 0.00 C ATOM 516 SD MET A 40 11.502 2.279 1.431 1.00 0.00 S ATOM 517 CE MET A 40 12.550 1.462 2.632 1.00 0.00 C ATOM 0 H MET A 40 8.324 5.366 2.925 1.00 0.00 H new ATOM 0 HA MET A 40 8.267 2.733 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.565 3.671 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.720 2.070 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.484 4.416 1.793 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.550 3.982 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.907 0.518 2.221 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.401 2.101 2.867 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.980 1.269 3.541 1.00 0.00 H new ATOM 527 N GLN A 41 5.946 3.401 3.271 1.00 0.00 N ATOM 528 CA GLN A 41 4.780 2.999 4.050 1.00 0.00 C ATOM 529 C GLN A 41 3.773 2.255 3.179 1.00 0.00 C ATOM 530 O GLN A 41 3.405 2.722 2.101 1.00 0.00 O ATOM 531 CB GLN A 41 4.118 4.224 4.684 1.00 0.00 C ATOM 532 CG GLN A 41 4.642 4.549 6.073 1.00 0.00 C ATOM 533 CD GLN A 41 4.300 5.959 6.511 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.177 6.729 6.905 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.020 6.306 6.445 1.00 0.00 N ATOM 0 H GLN A 41 5.779 4.177 2.631 1.00 0.00 H new ATOM 0 HA GLN A 41 5.116 2.326 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.273 5.086 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.042 4.057 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.227 3.840 6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.724 4.420 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.326 5.636 6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.730 7.242 6.727 1.00 0.00 H new ATOM 544 N LEU A 42 3.332 1.096 3.654 1.00 0.00 N ATOM 545 CA LEU A 42 2.367 0.286 2.918 1.00 0.00 C ATOM 546 C LEU A 42 0.957 0.488 3.465 1.00 0.00 C ATOM 547 O LEU A 42 0.733 0.416 4.674 1.00 0.00 O ATOM 548 CB LEU A 42 2.749 -1.193 2.995 1.00 0.00 C ATOM 549 CG LEU A 42 4.242 -1.507 2.891 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.504 -2.968 3.223 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.762 -1.172 1.500 1.00 0.00 C ATOM 0 H LEU A 42 3.627 0.696 4.545 1.00 0.00 H new ATOM 0 HA LEU A 42 2.382 0.605 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.379 -1.595 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.230 -1.724 2.197 1.00 0.00 H new ATOM 0 HG LEU A 42 4.775 -0.890 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.572 -3.173 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.169 -3.176 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.960 -3.603 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.826 -1.402 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.224 -1.762 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.609 -0.112 1.300 1.00 0.00 H new ATOM 563 N LEU A 43 0.010 0.738 2.568 1.00 0.00 N ATOM 564 CA LEU A 43 -1.379 0.948 2.960 1.00 0.00 C ATOM 565 C LEU A 43 -2.205 -0.315 2.737 1.00 0.00 C ATOM 566 O LEU A 43 -2.062 -0.991 1.718 1.00 0.00 O ATOM 567 CB LEU A 43 -1.982 2.111 2.171 1.00 0.00 C ATOM 568 CG LEU A 43 -2.537 3.270 3.001 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.782 2.835 3.758 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.479 3.791 3.963 1.00 0.00 C ATOM 0 H LEU A 43 0.179 0.800 1.564 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.398 1.189 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.218 2.504 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.785 1.722 1.545 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.813 4.078 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.163 3.672 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.544 2.511 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.532 2.010 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.891 4.615 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.172 2.990 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.615 4.142 3.398 1.00 0.00 H new ATOM 582 N CYS A 44 -3.071 -0.627 3.696 1.00 0.00 N ATOM 583 CA CYS A 44 -3.921 -1.807 3.604 1.00 0.00 C ATOM 584 C CYS A 44 -5.163 -1.519 2.765 1.00 0.00 C ATOM 585 O CYS A 44 -5.726 -0.426 2.827 1.00 0.00 O ATOM 586 CB CYS A 44 -4.333 -2.274 5.002 1.00 0.00 C ATOM 587 SG CYS A 44 -5.473 -3.695 5.005 1.00 0.00 S ATOM 0 H CYS A 44 -3.202 -0.078 4.546 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.351 -2.598 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.437 -2.539 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.804 -1.443 5.527 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.266 -4.415 6.067 1.00 0.00 H new ATOM 592 N ASP A 45 -5.584 -2.507 1.983 1.00 0.00 N ATOM 593 CA ASP A 45 -6.759 -2.361 1.133 1.00 0.00 C ATOM 594 C ASP A 45 -8.010 -2.871 1.842 1.00 0.00 C ATOM 595 O ASP A 45 -8.846 -3.542 1.239 1.00 0.00 O ATOM 596 CB ASP A 45 -6.560 -3.116 -0.183 1.00 0.00 C ATOM 597 CG ASP A 45 -7.098 -2.350 -1.376 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.659 -1.201 -1.590 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.958 -2.901 -2.095 1.00 0.00 O ATOM 0 H ASP A 45 -5.129 -3.418 1.920 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.892 -1.301 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.498 -3.312 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.057 -4.084 -0.122 1.00 0.00 H new ATOM 604 N GLU A 46 -8.129 -2.548 3.126 1.00 0.00 N ATOM 605 CA GLU A 46 -9.277 -2.976 3.917 1.00 0.00 C ATOM 606 C GLU A 46 -9.540 -2.003 5.063 1.00 0.00 C ATOM 607 O GLU A 46 -10.597 -1.375 5.130 1.00 0.00 O ATOM 608 CB GLU A 46 -9.047 -4.384 4.470 1.00 0.00 C ATOM 609 CG GLU A 46 -10.298 -5.021 5.052 1.00 0.00 C ATOM 610 CD GLU A 46 -11.420 -5.133 4.038 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.372 -6.057 3.200 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.347 -4.297 4.084 1.00 0.00 O ATOM 0 H GLU A 46 -7.446 -1.992 3.640 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.151 -2.988 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.663 -5.020 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.279 -4.341 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.054 -6.014 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.639 -4.431 5.903 1.00 0.00 H new ATOM 619 N CYS A 47 -8.571 -1.885 5.965 1.00 0.00 N ATOM 620 CA CYS A 47 -8.697 -0.992 7.110 1.00 0.00 C ATOM 621 C CYS A 47 -8.004 0.341 6.839 1.00 0.00 C ATOM 622 O CYS A 47 -8.203 1.314 7.564 1.00 0.00 O ATOM 623 CB CYS A 47 -8.101 -1.643 8.360 1.00 0.00 C ATOM 624 SG CYS A 47 -6.337 -2.071 8.206 1.00 0.00 S ATOM 0 H CYS A 47 -7.690 -2.397 5.925 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.758 -0.804 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.227 -0.966 9.205 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.665 -2.547 8.590 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.130 -2.656 7.063 1.00 0.00 H new ATOM 629 N ASN A 48 -7.191 0.375 5.788 1.00 0.00 N ATOM 630 CA ASN A 48 -6.469 1.588 5.420 1.00 0.00 C ATOM 631 C ASN A 48 -5.485 1.989 6.516 1.00 0.00 C ATOM 632 O ASN A 48 -5.630 3.040 7.141 1.00 0.00 O ATOM 633 CB ASN A 48 -7.450 2.731 5.157 1.00 0.00 C ATOM 634 CG ASN A 48 -8.625 2.300 4.300 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.769 2.289 4.754 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.345 1.941 3.052 1.00 0.00 N ATOM 0 H ASN A 48 -7.016 -0.422 5.177 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.907 1.384 4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.819 3.115 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.926 3.550 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.094 1.641 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.381 1.966 2.718 1.00 0.00 H new ATOM 643 N VAL A 49 -4.485 1.144 6.743 1.00 0.00 N ATOM 644 CA VAL A 49 -3.476 1.410 7.762 1.00 0.00 C ATOM 645 C VAL A 49 -2.077 1.433 7.157 1.00 0.00 C ATOM 646 O VAL A 49 -1.721 0.568 6.357 1.00 0.00 O ATOM 647 CB VAL A 49 -3.521 0.357 8.885 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.113 -1.008 8.354 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.628 0.776 10.043 1.00 0.00 C ATOM 0 H VAL A 49 -4.352 0.269 6.235 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.702 2.389 8.184 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.545 0.286 9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.151 -1.739 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.797 -1.309 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.098 -0.956 7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.672 0.021 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.601 0.876 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.971 1.732 10.440 1.00 0.00 H new ATOM 659 N ALA A 50 -1.286 2.428 7.546 1.00 0.00 N ATOM 660 CA ALA A 50 0.076 2.562 7.044 1.00 0.00 C ATOM 661 C ALA A 50 1.061 1.793 7.917 1.00 0.00 C ATOM 662 O ALA A 50 1.122 1.997 9.130 1.00 0.00 O ATOM 663 CB ALA A 50 0.468 4.030 6.969 1.00 0.00 C ATOM 0 H ALA A 50 -1.565 3.153 8.207 1.00 0.00 H new ATOM 0 HA ALA A 50 0.111 2.136 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.487 4.116 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.212 4.554 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.410 4.473 7.963 1.00 0.00 H new ATOM 669 N TYR A 51 1.830 0.907 7.294 1.00 0.00 N ATOM 670 CA TYR A 51 2.810 0.104 8.015 1.00 0.00 C ATOM 671 C TYR A 51 4.160 0.124 7.304 1.00 0.00 C ATOM 672 O TYR A 51 4.230 0.027 6.078 1.00 0.00 O ATOM 673 CB TYR A 51 2.316 -1.337 8.156 1.00 0.00 C ATOM 674 CG TYR A 51 1.448 -1.563 9.373 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.974 -1.458 10.655 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.102 -1.882 9.241 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.184 -1.664 11.770 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.695 -2.088 10.351 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.149 -1.979 11.613 1.00 0.00 C ATOM 680 OH TYR A 51 -0.940 -2.185 12.720 1.00 0.00 O ATOM 0 H TYR A 51 1.793 0.727 6.291 1.00 0.00 H new ATOM 0 HA TYR A 51 2.936 0.536 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.753 -1.608 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.177 -2.004 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.018 -1.211 10.782 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.328 -1.970 8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.609 -1.579 12.759 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.740 -2.333 10.231 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.547 -2.936 12.553 1.00 0.00 H new ATOM 690 N HIS A 52 5.230 0.249 8.083 1.00 0.00 N ATOM 691 CA HIS A 52 6.579 0.280 7.529 1.00 0.00 C ATOM 692 C HIS A 52 6.960 -1.079 6.950 1.00 0.00 C ATOM 693 O HIS A 52 6.317 -2.089 7.237 1.00 0.00 O ATOM 694 CB HIS A 52 7.585 0.689 8.605 1.00 0.00 C ATOM 695 CG HIS A 52 7.410 2.098 9.084 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.932 2.558 10.274 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.769 3.150 8.524 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.617 3.832 10.427 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.911 4.215 9.378 1.00 0.00 N ATOM 0 H HIS A 52 5.189 0.330 9.099 1.00 0.00 H new ATOM 0 HA HIS A 52 6.598 1.016 6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.493 0.011 9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.594 0.571 8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.243 3.151 7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.890 4.454 11.266 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.533 5.150 9.227 1.00 0.00 H new ATOM 707 N ILE A 53 8.008 -1.097 6.134 1.00 0.00 N ATOM 708 CA ILE A 53 8.474 -2.331 5.515 1.00 0.00 C ATOM 709 C ILE A 53 9.392 -3.105 6.456 1.00 0.00 C ATOM 710 O ILE A 53 9.680 -4.281 6.231 1.00 0.00 O ATOM 711 CB ILE A 53 9.223 -2.054 4.199 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.445 -1.170 4.458 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.294 -1.398 3.188 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.694 -1.641 3.746 1.00 0.00 C ATOM 0 H ILE A 53 8.551 -0.270 5.886 1.00 0.00 H new ATOM 0 HA ILE A 53 7.589 -2.929 5.300 1.00 0.00 H new ATOM 0 HB ILE A 53 9.565 -3.003 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.219 -0.151 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.639 -1.137 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.839 -1.209 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.452 -2.060 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.925 -0.455 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.520 -0.967 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.945 -2.648 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.519 -1.647 2.670 1.00 0.00 H new ATOM 726 N TYR A 54 9.846 -2.438 7.511 1.00 0.00 N ATOM 727 CA TYR A 54 10.731 -3.063 8.487 1.00 0.00 C ATOM 728 C TYR A 54 10.066 -3.137 9.858 1.00 0.00 C ATOM 729 O TYR A 54 10.739 -3.158 10.888 1.00 0.00 O ATOM 730 CB TYR A 54 12.044 -2.285 8.587 1.00 0.00 C ATOM 731 CG TYR A 54 11.855 -0.787 8.676 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.573 -0.174 9.890 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.961 0.014 7.546 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.399 1.194 9.976 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.790 1.383 7.622 1.00 0.00 C ATOM 736 CZ TYR A 54 11.509 1.968 8.839 1.00 0.00 C ATOM 737 OH TYR A 54 11.337 3.331 8.921 1.00 0.00 O ATOM 0 H TYR A 54 9.616 -1.465 7.712 1.00 0.00 H new ATOM 0 HA TYR A 54 10.942 -4.078 8.150 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.593 -2.626 9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.660 -2.514 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.488 -0.777 10.782 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.181 -0.441 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.178 1.655 10.928 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.876 1.991 6.734 1.00 0.00 H new ATOM 0 HH TYR A 54 11.811 3.766 8.181 1.00 0.00 H new ATOM 747 N CYS A 55 8.737 -3.177 9.862 1.00 0.00 N ATOM 748 CA CYS A 55 7.978 -3.249 11.104 1.00 0.00 C ATOM 749 C CYS A 55 6.843 -4.263 10.990 1.00 0.00 C ATOM 750 O CYS A 55 5.883 -4.226 11.761 1.00 0.00 O ATOM 751 CB CYS A 55 7.413 -1.873 11.462 1.00 0.00 C ATOM 752 SG CYS A 55 8.678 -0.649 11.930 1.00 0.00 S ATOM 0 H CYS A 55 8.164 -3.161 9.018 1.00 0.00 H new ATOM 0 HA CYS A 55 8.654 -3.574 11.895 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.850 -1.490 10.611 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.708 -1.985 12.286 1.00 0.00 H new ATOM 0 HG CYS A 55 9.632 -0.652 11.047 1.00 0.00 H new ATOM 757 N LEU A 56 6.960 -5.167 10.024 1.00 0.00 N ATOM 758 CA LEU A 56 5.944 -6.192 9.808 1.00 0.00 C ATOM 759 C LEU A 56 6.267 -7.454 10.601 1.00 0.00 C ATOM 760 O LEU A 56 7.252 -7.502 11.336 1.00 0.00 O ATOM 761 CB LEU A 56 5.836 -6.525 8.319 1.00 0.00 C ATOM 762 CG LEU A 56 5.036 -5.539 7.467 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.108 -5.923 5.997 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.589 -5.483 7.934 1.00 0.00 C ATOM 0 H LEU A 56 7.748 -5.211 9.378 1.00 0.00 H new ATOM 0 HA LEU A 56 4.988 -5.801 10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.843 -6.595 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.383 -7.511 8.220 1.00 0.00 H new ATOM 0 HG LEU A 56 5.474 -4.548 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.533 -5.210 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.147 -5.912 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.695 -6.923 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.034 -4.776 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.140 -6.472 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.555 -5.160 8.975 1.00 0.00 H new ATOM 776 N ASN A 57 5.430 -8.475 10.445 1.00 0.00 N ATOM 777 CA ASN A 57 5.628 -9.738 11.146 1.00 0.00 C ATOM 778 C ASN A 57 5.116 -10.909 10.311 1.00 0.00 C ATOM 779 O ASN A 57 3.930 -11.239 10.322 1.00 0.00 O ATOM 780 CB ASN A 57 4.915 -9.712 12.499 1.00 0.00 C ATOM 781 CG ASN A 57 5.885 -9.656 13.663 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.669 -10.581 13.877 1.00 0.00 O ATOM 783 ND2 ASN A 57 5.837 -8.567 14.421 1.00 0.00 N ATOM 0 H ASN A 57 4.609 -8.452 9.840 1.00 0.00 H new ATOM 0 HA ASN A 57 6.697 -9.871 11.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.252 -8.848 12.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.289 -10.599 12.594 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.466 -8.472 15.218 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.171 -7.825 14.206 1.00 0.00 H new ATOM 790 N PRO A 58 6.030 -11.551 9.570 1.00 0.00 N ATOM 791 CA PRO A 58 7.445 -11.166 9.548 1.00 0.00 C ATOM 792 C PRO A 58 7.671 -9.831 8.847 1.00 0.00 C ATOM 793 O PRO A 58 6.780 -9.286 8.195 1.00 0.00 O ATOM 794 CB PRO A 58 8.110 -12.301 8.766 1.00 0.00 C ATOM 795 CG PRO A 58 7.026 -12.855 7.907 1.00 0.00 C ATOM 796 CD PRO A 58 5.754 -12.704 8.695 1.00 0.00 C ATOM 0 HA PRO A 58 7.846 -11.031 10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.942 -11.933 8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.512 -13.061 9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.965 -12.317 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.215 -13.901 7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.898 -12.520 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.529 -13.601 9.271 1.00 0.00 H new ATOM 804 N PRO A 59 8.892 -9.291 8.981 1.00 0.00 N ATOM 805 CA PRO A 59 9.264 -8.014 8.366 1.00 0.00 C ATOM 806 C PRO A 59 9.366 -8.110 6.847 1.00 0.00 C ATOM 807 O PRO A 59 9.065 -9.149 6.259 1.00 0.00 O ATOM 808 CB PRO A 59 10.635 -7.712 8.976 1.00 0.00 C ATOM 809 CG PRO A 59 11.185 -9.046 9.348 1.00 0.00 C ATOM 810 CD PRO A 59 10.002 -9.886 9.743 1.00 0.00 C ATOM 0 HA PRO A 59 8.520 -7.240 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.282 -7.202 8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.547 -7.063 9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.720 -9.495 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.895 -8.960 10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.150 -10.935 9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.820 -9.844 10.817 1.00 0.00 H new ATOM 818 N LEU A 60 9.792 -7.020 6.218 1.00 0.00 N ATOM 819 CA LEU A 60 9.934 -6.981 4.766 1.00 0.00 C ATOM 820 C LEU A 60 11.271 -6.366 4.367 1.00 0.00 C ATOM 821 O LEU A 60 11.566 -5.221 4.709 1.00 0.00 O ATOM 822 CB LEU A 60 8.786 -6.185 4.143 1.00 0.00 C ATOM 823 CG LEU A 60 7.688 -7.007 3.468 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.567 -6.102 2.981 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.261 -7.817 2.314 1.00 0.00 C ATOM 0 H LEU A 60 10.045 -6.152 6.690 1.00 0.00 H new ATOM 0 HA LEU A 60 9.901 -8.005 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.329 -5.575 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.204 -5.499 3.406 1.00 0.00 H new ATOM 0 HG LEU A 60 7.276 -7.699 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.794 -6.705 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.138 -5.567 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.964 -5.385 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.465 -8.396 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.700 -7.143 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.029 -8.493 2.690 1.00 0.00 H new ATOM 837 N ASP A 61 12.075 -7.133 3.638 1.00 0.00 N ATOM 838 CA ASP A 61 13.380 -6.662 3.188 1.00 0.00 C ATOM 839 C ASP A 61 13.250 -5.347 2.426 1.00 0.00 C ATOM 840 O ASP A 61 14.175 -4.534 2.407 1.00 0.00 O ATOM 841 CB ASP A 61 14.048 -7.715 2.303 1.00 0.00 C ATOM 842 CG ASP A 61 14.894 -8.689 3.100 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.393 -9.216 4.115 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.056 -8.925 2.708 1.00 0.00 O ATOM 0 H ASP A 61 11.846 -8.083 3.346 1.00 0.00 H new ATOM 0 HA ASP A 61 14.001 -6.491 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.282 -8.266 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.673 -7.218 1.561 1.00 0.00 H new ATOM 849 N LYS A 62 12.097 -5.145 1.798 1.00 0.00 N ATOM 850 CA LYS A 62 11.844 -3.929 1.034 1.00 0.00 C ATOM 851 C LYS A 62 10.358 -3.780 0.723 1.00 0.00 C ATOM 852 O LYS A 62 9.526 -4.514 1.256 1.00 0.00 O ATOM 853 CB LYS A 62 12.650 -3.943 -0.267 1.00 0.00 C ATOM 854 CG LYS A 62 12.202 -5.012 -1.248 1.00 0.00 C ATOM 855 CD LYS A 62 13.225 -5.219 -2.352 1.00 0.00 C ATOM 856 CE LYS A 62 13.181 -6.639 -2.895 1.00 0.00 C ATOM 857 NZ LYS A 62 14.340 -7.448 -2.427 1.00 0.00 N ATOM 0 H LYS A 62 11.322 -5.808 1.803 1.00 0.00 H new ATOM 0 HA LYS A 62 12.157 -3.078 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.570 -2.967 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.703 -4.097 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.043 -5.951 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.245 -4.727 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.036 -4.513 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.223 -5.006 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.253 -7.119 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.174 -6.611 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.273 -8.409 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.225 -7.004 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.333 -7.496 -1.388 1.00 0.00 H new ATOM 871 N VAL A 63 10.032 -2.827 -0.145 1.00 0.00 N ATOM 872 CA VAL A 63 8.647 -2.585 -0.529 1.00 0.00 C ATOM 873 C VAL A 63 8.190 -3.578 -1.591 1.00 0.00 C ATOM 874 O VAL A 63 8.888 -3.845 -2.569 1.00 0.00 O ATOM 875 CB VAL A 63 8.455 -1.153 -1.064 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.001 -0.914 -1.440 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.923 -0.134 -0.036 1.00 0.00 C ATOM 0 H VAL A 63 10.708 -2.210 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 63 8.042 -2.714 0.369 1.00 0.00 H new ATOM 0 HB VAL A 63 9.061 -1.034 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.885 0.103 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.704 -1.623 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.371 -1.050 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.780 0.872 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.345 -0.250 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.980 -0.293 0.179 1.00 0.00 H new ATOM 887 N PRO A 64 6.987 -4.140 -1.397 1.00 0.00 N ATOM 888 CA PRO A 64 6.409 -5.113 -2.329 1.00 0.00 C ATOM 889 C PRO A 64 6.006 -4.477 -3.655 1.00 0.00 C ATOM 890 O PRO A 64 6.178 -3.275 -3.854 1.00 0.00 O ATOM 891 CB PRO A 64 5.173 -5.625 -1.585 1.00 0.00 C ATOM 892 CG PRO A 64 4.806 -4.521 -0.655 1.00 0.00 C ATOM 893 CD PRO A 64 6.100 -3.869 -0.254 1.00 0.00 C ATOM 0 HA PRO A 64 7.120 -5.896 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.360 -5.848 -2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.391 -6.544 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.143 -3.805 -1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.276 -4.905 0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.976 -2.799 -0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.494 -4.293 0.670 1.00 0.00 H new ATOM 901 N GLU A 65 5.469 -5.291 -4.558 1.00 0.00 N ATOM 902 CA GLU A 65 5.042 -4.806 -5.865 1.00 0.00 C ATOM 903 C GLU A 65 4.015 -5.748 -6.486 1.00 0.00 C ATOM 904 O GLU A 65 3.877 -5.814 -7.707 1.00 0.00 O ATOM 905 CB GLU A 65 6.247 -4.661 -6.798 1.00 0.00 C ATOM 906 CG GLU A 65 6.985 -3.342 -6.638 1.00 0.00 C ATOM 907 CD GLU A 65 7.692 -2.912 -7.908 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.648 -3.673 -8.898 1.00 0.00 O ATOM 909 OE2 GLU A 65 8.290 -1.816 -7.913 1.00 0.00 O ATOM 0 H GLU A 65 5.319 -6.289 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 65 4.578 -3.829 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.941 -5.481 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.910 -4.756 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.278 -2.568 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.715 -3.433 -5.833 1.00 0.00 H new ATOM 916 N GLU A 66 3.297 -6.475 -5.636 1.00 0.00 N ATOM 917 CA GLU A 66 2.283 -7.414 -6.102 1.00 0.00 C ATOM 918 C GLU A 66 0.977 -6.692 -6.419 1.00 0.00 C ATOM 919 O GLU A 66 0.917 -5.463 -6.406 1.00 0.00 O ATOM 920 CB GLU A 66 2.037 -8.496 -5.048 1.00 0.00 C ATOM 921 CG GLU A 66 2.313 -9.905 -5.547 1.00 0.00 C ATOM 922 CD GLU A 66 2.118 -10.954 -4.470 1.00 0.00 C ATOM 923 OE1 GLU A 66 1.733 -10.581 -3.342 1.00 0.00 O ATOM 924 OE2 GLU A 66 2.349 -12.148 -4.754 1.00 0.00 O ATOM 0 H GLU A 66 3.398 -6.432 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 66 2.650 -7.882 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.667 -8.297 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.002 -8.435 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.653 -10.125 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.335 -9.960 -5.922 1.00 0.00 H new ATOM 931 N GLU A 67 -0.066 -7.465 -6.704 1.00 0.00 N ATOM 932 CA GLU A 67 -1.370 -6.899 -7.027 1.00 0.00 C ATOM 933 C GLU A 67 -1.811 -5.904 -5.957 1.00 0.00 C ATOM 934 O GLU A 67 -2.300 -4.817 -6.268 1.00 0.00 O ATOM 935 CB GLU A 67 -2.413 -8.010 -7.166 1.00 0.00 C ATOM 936 CG GLU A 67 -2.486 -8.931 -5.960 1.00 0.00 C ATOM 937 CD GLU A 67 -3.370 -10.139 -6.201 1.00 0.00 C ATOM 938 OE1 GLU A 67 -4.608 -9.974 -6.219 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.824 -11.249 -6.371 1.00 0.00 O ATOM 0 H GLU A 67 -0.033 -8.484 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.283 -6.371 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.392 -7.559 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.184 -8.603 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.481 -9.266 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.865 -8.373 -5.104 1.00 0.00 H new ATOM 946 N TYR A 68 -1.635 -6.283 -4.696 1.00 0.00 N ATOM 947 CA TYR A 68 -2.017 -5.427 -3.580 1.00 0.00 C ATOM 948 C TYR A 68 -1.291 -5.839 -2.303 1.00 0.00 C ATOM 949 O TYR A 68 -0.626 -6.875 -2.261 1.00 0.00 O ATOM 950 CB TYR A 68 -3.530 -5.484 -3.361 1.00 0.00 C ATOM 951 CG TYR A 68 -4.275 -4.322 -3.978 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.292 -3.076 -3.364 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.964 -4.471 -5.176 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.973 -2.012 -3.924 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.646 -3.413 -5.744 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.647 -2.185 -5.114 1.00 0.00 C ATOM 957 OH TYR A 68 -6.326 -1.129 -5.677 1.00 0.00 O ATOM 0 H TYR A 68 -1.230 -7.178 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.730 -4.404 -3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.914 -6.414 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.733 -5.508 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.764 -2.936 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.966 -5.431 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.977 -1.050 -3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.176 -3.546 -6.676 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.746 -1.419 -6.514 1.00 0.00 H new ATOM 967 N TRP A 69 -1.424 -5.023 -1.265 1.00 0.00 N ATOM 968 CA TRP A 69 -0.782 -5.302 0.015 1.00 0.00 C ATOM 969 C TRP A 69 -1.779 -5.186 1.162 1.00 0.00 C ATOM 970 O TRP A 69 -2.404 -4.142 1.350 1.00 0.00 O ATOM 971 CB TRP A 69 0.388 -4.344 0.241 1.00 0.00 C ATOM 972 CG TRP A 69 1.116 -4.588 1.528 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.224 -5.366 1.708 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.786 -4.054 2.815 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.603 -5.348 3.029 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.737 -4.549 3.728 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.219 -3.204 3.284 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.710 -4.222 5.081 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.245 -2.881 4.627 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.714 -3.388 5.513 1.00 0.00 C ATOM 0 H TRP A 69 -1.971 -4.162 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.406 -6.325 -0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.090 -4.437 -0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.016 -3.319 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.729 -5.915 0.927 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.399 -5.848 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.962 -2.807 2.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.449 -4.612 5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.018 -2.226 5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.667 -3.116 6.557 1.00 0.00 H new ATOM 991 N TYR A 70 -1.924 -6.264 1.925 1.00 0.00 N ATOM 992 CA TYR A 70 -2.848 -6.283 3.053 1.00 0.00 C ATOM 993 C TYR A 70 -2.097 -6.457 4.370 1.00 0.00 C ATOM 994 O TYR A 70 -1.319 -7.397 4.535 1.00 0.00 O ATOM 995 CB TYR A 70 -3.870 -7.408 2.883 1.00 0.00 C ATOM 996 CG TYR A 70 -4.892 -7.140 1.802 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.616 -7.423 0.471 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.136 -6.603 2.113 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.547 -7.179 -0.520 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.074 -6.357 1.129 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.774 -6.646 -0.186 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.705 -6.402 -1.170 1.00 0.00 O ATOM 0 H TYR A 70 -1.414 -7.136 1.783 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.371 -5.327 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.343 -8.334 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.387 -7.564 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.656 -7.841 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.373 -6.374 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.315 -7.404 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.036 -5.941 1.388 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.516 -6.027 -0.767 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.336 -5.543 5.305 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.684 -5.594 6.607 1.00 0.00 C ATOM 1014 C CYS A 71 -1.845 -6.971 7.244 1.00 0.00 C ATOM 1015 O CYS A 71 -2.781 -7.714 6.946 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.263 -4.521 7.533 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.912 -4.923 8.195 1.00 0.00 S ATOM 0 H CYS A 71 -2.977 -4.758 5.184 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.621 -5.404 6.460 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.577 -4.366 8.366 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.322 -3.579 6.988 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.673 -3.871 8.133 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.912 -7.321 8.142 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.929 -8.610 8.840 1.00 0.00 C ATOM 1024 C PRO A 72 -2.073 -8.711 9.843 1.00 0.00 C ATOM 1025 O PRO A 72 -2.337 -9.781 10.391 1.00 0.00 O ATOM 1026 CB PRO A 72 0.420 -8.640 9.562 1.00 0.00 C ATOM 1027 CG PRO A 72 0.785 -7.207 9.742 1.00 0.00 C ATOM 1028 CD PRO A 72 0.231 -6.485 8.545 1.00 0.00 C ATOM 0 HA PRO A 72 -1.079 -9.443 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.345 -9.153 10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.171 -9.169 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.364 -6.810 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.866 -7.085 9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.081 -5.471 8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.970 -6.403 7.748 1.00 0.00 H new ATOM 1036 N SER A 73 -2.748 -7.591 10.078 1.00 0.00 N ATOM 1037 CA SER A 73 -3.862 -7.553 11.019 1.00 0.00 C ATOM 1038 C SER A 73 -5.171 -7.917 10.325 1.00 0.00 C ATOM 1039 O SER A 73 -6.167 -8.233 10.977 1.00 0.00 O ATOM 1040 CB SER A 73 -3.976 -6.165 11.652 1.00 0.00 C ATOM 1041 OG SER A 73 -4.022 -6.251 13.065 1.00 0.00 O ATOM 0 H SER A 73 -2.543 -6.698 9.630 1.00 0.00 H new ATOM 0 HA SER A 73 -3.669 -8.286 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.126 -5.553 11.349 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.874 -5.667 11.285 1.00 0.00 H new ATOM 0 HG SER A 73 -4.093 -5.351 13.445 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.163 -7.869 8.997 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.348 -8.192 8.212 1.00 0.00 C ATOM 1049 C CYS A 74 -6.226 -9.580 7.588 1.00 0.00 C ATOM 1050 O CYS A 74 -7.126 -10.410 7.712 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.562 -7.146 7.117 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.439 -5.651 7.678 1.00 0.00 S ATOM 0 H CYS A 74 -4.348 -7.609 8.442 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.208 -8.188 8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.592 -6.855 6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.125 -7.600 6.301 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.581 -4.695 7.881 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.105 -9.824 6.918 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.862 -11.110 6.275 1.00 0.00 C ATOM 1059 C LYS A 75 -5.083 -12.258 7.255 1.00 0.00 C ATOM 1060 O LYS A 75 -4.312 -12.442 8.197 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.436 -11.165 5.722 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.027 -12.543 5.232 1.00 0.00 C ATOM 1063 CD LYS A 75 -2.115 -13.241 6.228 1.00 0.00 C ATOM 1064 CE LYS A 75 -2.439 -14.724 6.336 1.00 0.00 C ATOM 1065 NZ LYS A 75 -2.861 -15.100 7.713 1.00 0.00 N ATOM 0 H LYS A 75 -4.350 -9.148 6.806 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.569 -11.216 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.346 -10.455 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.742 -10.844 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.917 -13.150 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.518 -12.453 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.076 -13.116 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.217 -12.773 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.232 -14.975 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.564 -15.309 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.443 -15.961 7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.019 -15.276 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.416 -14.326 8.130 1.00 0.00 H new