USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 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 142:sc= 0.757 USER MOD Set 1.2: A 47 CYS SG : rot -48:sc= 0.431 USER MOD Set 1.3: A 71 CYS SG : rot -135:sc= 0.622 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0318 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.663 USER MOD Set 2.2: A 32 CYS SG : rot -61:sc= 0.711 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.29 X(o=0.56,f=0.42) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.481 USER MOD Set 3.1: A 13 CYS SG : rot 175:sc= 0.617 USER MOD Set 3.2: A 16 CYS SG : rot -52:sc= 0.908 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.0164 USER MOD Set 3.4: A 27 CYS SG : rot 144:sc= 1.32 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -0.0347 (180deg=-0.297) USER MOD Single : A 25 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 102:sc= 0.895 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-0.87) USER MOD Single : A 39 ASN : amide:sc=-0.00012 X(o=-0.00012,f=-0.00012) USER MOD Single : A 40 MET CE :methyl -131:sc= -2.21! (180deg=-3.63!) USER MOD Single : A 41 GLN : amide:sc= -0.628 K(o=-0.63,f=-1.3) USER MOD Single : A 48 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.91) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.744 USER MOD Single : A 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.463 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -10.094 11.642 10.784 1.00 0.00 N ATOM 146 CA CYS A 13 -9.380 10.911 11.823 1.00 0.00 C ATOM 147 C CYS A 13 -9.373 11.695 13.133 1.00 0.00 C ATOM 148 O CYS A 13 -8.927 12.841 13.180 1.00 0.00 O ATOM 149 CB CYS A 13 -7.943 10.626 11.380 1.00 0.00 C ATOM 150 SG CYS A 13 -7.102 9.345 12.365 1.00 0.00 S ATOM 0 HA CYS A 13 -9.897 9.966 11.988 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.951 10.319 10.334 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.367 11.549 11.437 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.935 9.097 11.848 1.00 0.00 H new ATOM 155 N ASP A 14 -9.872 11.068 14.193 1.00 0.00 N ATOM 156 CA ASP A 14 -9.923 11.706 15.503 1.00 0.00 C ATOM 157 C ASP A 14 -8.649 11.424 16.294 1.00 0.00 C ATOM 158 O ASP A 14 -8.259 12.207 17.162 1.00 0.00 O ATOM 159 CB ASP A 14 -11.142 11.215 16.285 1.00 0.00 C ATOM 160 CG ASP A 14 -12.417 11.927 15.877 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.878 11.711 14.736 1.00 0.00 O ATOM 162 OD2 ASP A 14 -12.954 12.700 16.697 1.00 0.00 O ATOM 0 H ASP A 14 -10.246 10.120 14.171 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.006 12.782 15.353 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.262 10.143 16.129 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.971 11.365 17.351 1.00 0.00 H new ATOM 167 N LEU A 15 -8.006 10.303 15.990 1.00 0.00 N ATOM 168 CA LEU A 15 -6.776 9.917 16.674 1.00 0.00 C ATOM 169 C LEU A 15 -5.747 11.042 16.620 1.00 0.00 C ATOM 170 O LEU A 15 -4.952 11.215 17.544 1.00 0.00 O ATOM 171 CB LEU A 15 -6.196 8.649 16.044 1.00 0.00 C ATOM 172 CG LEU A 15 -6.926 7.345 16.365 1.00 0.00 C ATOM 173 CD1 LEU A 15 -8.137 7.175 15.461 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.984 6.158 16.228 1.00 0.00 C ATOM 0 H LEU A 15 -8.315 9.645 15.275 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.016 9.719 17.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.184 8.778 14.962 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.159 8.550 16.365 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.273 7.390 17.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.644 6.241 15.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.822 8.010 15.610 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.814 7.152 14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.521 5.238 16.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.606 6.109 15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.149 6.275 16.919 1.00 0.00 H new ATOM 186 N CYS A 16 -5.769 11.805 15.533 1.00 0.00 N ATOM 187 CA CYS A 16 -4.841 12.915 15.358 1.00 0.00 C ATOM 188 C CYS A 16 -5.591 14.213 15.073 1.00 0.00 C ATOM 189 O CYS A 16 -5.226 15.276 15.572 1.00 0.00 O ATOM 190 CB CYS A 16 -3.865 12.617 14.219 1.00 0.00 C ATOM 191 SG CYS A 16 -4.668 12.087 12.672 1.00 0.00 S ATOM 0 H CYS A 16 -6.420 11.675 14.759 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.281 13.036 16.285 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.271 13.509 14.021 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.173 11.839 14.542 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.485 11.107 12.921 1.00 0.00 H new ATOM 196 N GLY A 17 -6.643 14.117 14.266 1.00 0.00 N ATOM 197 CA GLY A 17 -7.429 15.289 13.928 1.00 0.00 C ATOM 198 C GLY A 17 -7.254 15.707 12.481 1.00 0.00 C ATOM 199 O GLY A 17 -8.099 16.405 11.923 1.00 0.00 O ATOM 0 H GLY A 17 -6.965 13.248 13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.482 15.084 14.119 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.142 16.115 14.579 1.00 0.00 H new ATOM 203 N GLY A 18 -6.153 15.278 11.872 1.00 0.00 N ATOM 204 CA GLY A 18 -5.889 15.623 10.487 1.00 0.00 C ATOM 205 C GLY A 18 -4.744 16.606 10.342 1.00 0.00 C ATOM 206 O GLY A 18 -4.937 17.730 9.878 1.00 0.00 O ATOM 0 H GLY A 18 -5.439 14.698 12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.658 14.716 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.789 16.050 10.044 1.00 0.00 H new ATOM 210 N ASP A 19 -3.550 16.184 10.742 1.00 0.00 N ATOM 211 CA ASP A 19 -2.369 17.035 10.655 1.00 0.00 C ATOM 212 C ASP A 19 -1.093 16.202 10.718 1.00 0.00 C ATOM 213 O ASP A 19 -1.069 15.098 11.262 1.00 0.00 O ATOM 214 CB ASP A 19 -2.375 18.068 11.783 1.00 0.00 C ATOM 215 CG ASP A 19 -2.618 19.477 11.277 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.791 19.820 11.020 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.636 20.235 11.137 1.00 0.00 O ATOM 0 H ASP A 19 -3.374 15.257 11.130 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.395 17.554 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.147 17.807 12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.421 18.033 12.309 1.00 0.00 H new ATOM 222 N PRO A 20 -0.005 16.742 10.149 1.00 0.00 N ATOM 223 CA PRO A 20 1.295 16.065 10.127 1.00 0.00 C ATOM 224 C PRO A 20 1.935 15.993 11.509 1.00 0.00 C ATOM 225 O PRO A 20 2.397 14.935 11.934 1.00 0.00 O ATOM 226 CB PRO A 20 2.135 16.941 9.194 1.00 0.00 C ATOM 227 CG PRO A 20 1.510 18.291 9.277 1.00 0.00 C ATOM 228 CD PRO A 20 0.040 18.054 9.482 1.00 0.00 C ATOM 0 HA PRO A 20 1.209 15.029 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.178 16.968 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.120 16.560 8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.931 18.866 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.690 18.861 8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.411 18.833 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.501 18.042 8.536 1.00 0.00 H new ATOM 236 N GLU A 21 1.957 17.125 12.206 1.00 0.00 N ATOM 237 CA GLU A 21 2.541 17.189 13.540 1.00 0.00 C ATOM 238 C GLU A 21 1.808 16.255 14.500 1.00 0.00 C ATOM 239 O GLU A 21 2.431 15.534 15.280 1.00 0.00 O ATOM 240 CB GLU A 21 2.496 18.622 14.073 1.00 0.00 C ATOM 241 CG GLU A 21 3.848 19.315 14.070 1.00 0.00 C ATOM 242 CD GLU A 21 4.718 18.902 15.241 1.00 0.00 C ATOM 243 OE1 GLU A 21 4.274 18.049 16.038 1.00 0.00 O ATOM 244 OE2 GLU A 21 5.842 19.432 15.362 1.00 0.00 O ATOM 0 H GLU A 21 1.577 18.010 11.869 1.00 0.00 H new ATOM 0 HA GLU A 21 3.580 16.868 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.798 19.203 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.105 18.610 15.091 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.367 19.087 13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.699 20.394 14.096 1.00 0.00 H new ATOM 251 N LYS A 22 0.481 16.274 14.436 1.00 0.00 N ATOM 252 CA LYS A 22 -0.339 15.430 15.297 1.00 0.00 C ATOM 253 C LYS A 22 -0.012 13.955 15.084 1.00 0.00 C ATOM 254 O LYS A 22 -0.427 13.354 14.092 1.00 0.00 O ATOM 255 CB LYS A 22 -1.824 15.679 15.026 1.00 0.00 C ATOM 256 CG LYS A 22 -2.247 17.123 15.233 1.00 0.00 C ATOM 257 CD LYS A 22 -2.881 17.327 16.599 1.00 0.00 C ATOM 258 CE LYS A 22 -1.895 17.930 17.587 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.053 19.407 17.697 1.00 0.00 N ATOM 0 H LYS A 22 -0.050 16.865 13.796 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.118 15.687 16.333 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.052 15.386 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.416 15.039 15.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.380 17.775 15.132 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.955 17.411 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.748 17.980 16.505 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.241 16.372 16.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.039 17.475 18.567 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.878 17.696 17.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.363 19.780 18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.891 19.844 16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.016 19.630 18.021 1.00 0.00 H new ATOM 273 N LYS A 23 0.732 13.377 16.020 1.00 0.00 N ATOM 274 CA LYS A 23 1.112 11.972 15.937 1.00 0.00 C ATOM 275 C LYS A 23 -0.120 11.081 15.810 1.00 0.00 C ATOM 276 O LYS A 23 -1.206 11.439 16.265 1.00 0.00 O ATOM 277 CB LYS A 23 1.922 11.567 17.171 1.00 0.00 C ATOM 278 CG LYS A 23 2.904 10.438 16.911 1.00 0.00 C ATOM 279 CD LYS A 23 3.309 9.744 18.200 1.00 0.00 C ATOM 280 CE LYS A 23 4.544 10.386 18.815 1.00 0.00 C ATOM 281 NZ LYS A 23 5.766 10.126 18.004 1.00 0.00 N ATOM 0 H LYS A 23 1.084 13.860 16.846 1.00 0.00 H new ATOM 0 HA LYS A 23 1.727 11.841 15.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.469 12.436 17.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.236 11.265 17.962 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.455 9.713 16.232 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.791 10.833 16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.484 9.785 18.911 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.506 8.691 18.001 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.389 11.461 18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.689 10.001 19.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.610 10.253 18.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.741 9.152 17.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.801 10.792 17.206 1.00 0.00 H new ATOM 295 N CYS A 24 0.057 9.920 15.189 1.00 0.00 N ATOM 296 CA CYS A 24 -1.039 8.977 15.003 1.00 0.00 C ATOM 297 C CYS A 24 -0.510 7.559 14.805 1.00 0.00 C ATOM 298 O CYS A 24 0.563 7.359 14.234 1.00 0.00 O ATOM 299 CB CYS A 24 -1.893 9.387 13.801 1.00 0.00 C ATOM 300 SG CYS A 24 -3.600 8.752 13.850 1.00 0.00 S ATOM 0 H CYS A 24 0.950 9.609 14.806 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.656 8.993 15.902 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.923 10.475 13.745 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.411 9.034 12.889 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.130 8.840 12.666 1.00 0.00 H new ATOM 305 N HIS A 25 -1.270 6.578 15.281 1.00 0.00 N ATOM 306 CA HIS A 25 -0.879 5.179 15.156 1.00 0.00 C ATOM 307 C HIS A 25 -1.515 4.545 13.922 1.00 0.00 C ATOM 308 O HIS A 25 -0.986 3.583 13.364 1.00 0.00 O ATOM 309 CB HIS A 25 -1.283 4.400 16.408 1.00 0.00 C ATOM 310 CG HIS A 25 -0.134 4.089 17.317 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.034 3.502 16.879 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.022 4.289 18.646 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.859 3.352 17.900 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.269 3.822 18.984 1.00 0.00 N ATOM 0 H HIS A 25 -2.160 6.726 15.757 1.00 0.00 H new ATOM 0 HA HIS A 25 0.205 5.139 15.046 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.027 4.975 16.960 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.760 3.467 16.107 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.699 4.733 19.316 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.847 2.919 17.856 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.674 3.836 19.920 1.00 0.00 H new ATOM 322 N SER A 26 -2.651 5.091 13.501 1.00 0.00 N ATOM 323 CA SER A 26 -3.361 4.576 12.336 1.00 0.00 C ATOM 324 C SER A 26 -2.821 5.199 11.052 1.00 0.00 C ATOM 325 O SER A 26 -2.371 4.495 10.148 1.00 0.00 O ATOM 326 CB SER A 26 -4.860 4.855 12.461 1.00 0.00 C ATOM 327 OG SER A 26 -5.556 4.431 11.302 1.00 0.00 O ATOM 0 H SER A 26 -3.100 5.890 13.949 1.00 0.00 H new ATOM 0 HA SER A 26 -3.202 3.499 12.291 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.257 4.341 13.336 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.023 5.921 12.617 1.00 0.00 H new ATOM 0 HG SER A 26 -6.512 4.619 11.407 1.00 0.00 H new ATOM 333 N CYS A 27 -2.870 6.525 10.980 1.00 0.00 N ATOM 334 CA CYS A 27 -2.387 7.246 9.808 1.00 0.00 C ATOM 335 C CYS A 27 -0.957 6.836 9.468 1.00 0.00 C ATOM 336 O CYS A 27 -0.546 6.882 8.309 1.00 0.00 O ATOM 337 CB CYS A 27 -2.453 8.755 10.049 1.00 0.00 C ATOM 338 SG CYS A 27 -4.146 9.409 10.212 1.00 0.00 S ATOM 0 H CYS A 27 -3.239 7.122 11.720 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.029 6.991 8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.895 8.992 10.955 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.955 9.266 9.225 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.161 10.356 11.102 1.00 0.00 H new ATOM 343 N SER A 28 -0.205 6.435 10.488 1.00 0.00 N ATOM 344 CA SER A 28 1.181 6.020 10.298 1.00 0.00 C ATOM 345 C SER A 28 1.412 4.624 10.869 1.00 0.00 C ATOM 346 O SER A 28 0.467 3.925 11.236 1.00 0.00 O ATOM 347 CB SER A 28 2.130 7.019 10.963 1.00 0.00 C ATOM 348 OG SER A 28 2.286 6.734 12.342 1.00 0.00 O ATOM 0 H SER A 28 -0.531 6.389 11.453 1.00 0.00 H new ATOM 0 HA SER A 28 1.384 5.994 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.101 6.986 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.743 8.031 10.839 1.00 0.00 H new ATOM 0 HG SER A 28 3.140 6.275 12.487 1.00 0.00 H new ATOM 354 N CYS A 29 2.678 4.224 10.941 1.00 0.00 N ATOM 355 CA CYS A 29 3.036 2.912 11.466 1.00 0.00 C ATOM 356 C CYS A 29 2.410 2.686 12.839 1.00 0.00 C ATOM 357 O CYS A 29 2.564 3.505 13.746 1.00 0.00 O ATOM 358 CB CYS A 29 4.558 2.776 11.559 1.00 0.00 C ATOM 359 SG CYS A 29 5.135 1.070 11.833 1.00 0.00 S ATOM 0 H CYS A 29 3.472 4.790 10.642 1.00 0.00 H new ATOM 0 HA CYS A 29 2.650 2.156 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.003 3.156 10.639 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.920 3.406 12.372 1.00 0.00 H new ATOM 0 HG CYS A 29 6.410 0.999 11.592 1.00 0.00 H new ATOM 364 N ARG A 30 1.704 1.570 12.985 1.00 0.00 N ATOM 365 CA ARG A 30 1.054 1.236 14.246 1.00 0.00 C ATOM 366 C ARG A 30 1.949 0.344 15.100 1.00 0.00 C ATOM 367 O ARG A 30 1.753 0.225 16.310 1.00 0.00 O ATOM 368 CB ARG A 30 -0.282 0.537 13.987 1.00 0.00 C ATOM 369 CG ARG A 30 -1.353 0.871 15.012 1.00 0.00 C ATOM 370 CD ARG A 30 -2.640 1.330 14.344 1.00 0.00 C ATOM 371 NE ARG A 30 -3.821 0.738 14.967 1.00 0.00 N ATOM 372 CZ ARG A 30 -5.005 0.658 14.369 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.164 1.130 13.140 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.033 0.106 15.001 1.00 0.00 N ATOM 0 H ARG A 30 1.568 0.881 12.245 1.00 0.00 H new ATOM 0 HA ARG A 30 0.872 2.164 14.788 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.641 0.814 12.996 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.123 -0.541 13.979 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.554 -0.005 15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.989 1.653 15.679 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.708 2.417 14.397 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.615 1.063 13.287 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.732 0.366 15.912 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.376 1.556 12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.074 1.067 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.915 -0.257 15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.941 0.045 14.541 1.00 0.00 H new ATOM 388 N VAL A 31 2.933 -0.283 14.462 1.00 0.00 N ATOM 389 CA VAL A 31 3.859 -1.164 15.163 1.00 0.00 C ATOM 390 C VAL A 31 4.802 -0.370 16.059 1.00 0.00 C ATOM 391 O VAL A 31 4.666 -0.376 17.283 1.00 0.00 O ATOM 392 CB VAL A 31 4.692 -2.002 14.175 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.688 -2.876 14.923 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.783 -2.848 13.296 1.00 0.00 C ATOM 0 H VAL A 31 3.109 -0.197 13.461 1.00 0.00 H new ATOM 0 HA VAL A 31 3.256 -1.832 15.778 1.00 0.00 H new ATOM 0 HB VAL A 31 5.252 -1.323 13.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.267 -3.461 14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.360 -2.245 15.505 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.151 -3.549 15.592 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.388 -3.434 12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.195 -3.520 13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.114 -2.198 12.732 1.00 0.00 H new ATOM 404 N CYS A 32 5.759 0.315 15.442 1.00 0.00 N ATOM 405 CA CYS A 32 6.726 1.116 16.183 1.00 0.00 C ATOM 406 C CYS A 32 6.114 2.444 16.617 1.00 0.00 C ATOM 407 O CYS A 32 6.544 3.047 17.599 1.00 0.00 O ATOM 408 CB CYS A 32 7.971 1.369 15.329 1.00 0.00 C ATOM 409 SG CYS A 32 7.706 2.542 13.960 1.00 0.00 S ATOM 0 H CYS A 32 5.886 0.331 14.430 1.00 0.00 H new ATOM 0 HA CYS A 32 7.013 0.560 17.076 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.767 1.748 15.970 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.316 0.420 14.919 1.00 0.00 H new ATOM 0 HG CYS A 32 6.796 2.074 13.158 1.00 0.00 H new ATOM 414 N GLY A 33 5.106 2.895 15.876 1.00 0.00 N ATOM 415 CA GLY A 33 4.450 4.149 16.200 1.00 0.00 C ATOM 416 C GLY A 33 5.226 5.353 15.705 1.00 0.00 C ATOM 417 O GLY A 33 5.579 6.236 16.485 1.00 0.00 O ATOM 0 H GLY A 33 4.732 2.415 15.058 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.452 4.158 15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.323 4.221 17.280 1.00 0.00 H new ATOM 421 N GLY A 34 5.494 5.389 14.403 1.00 0.00 N ATOM 422 CA GLY A 34 6.232 6.497 13.827 1.00 0.00 C ATOM 423 C GLY A 34 5.525 7.108 12.634 1.00 0.00 C ATOM 424 O GLY A 34 4.829 6.414 11.893 1.00 0.00 O ATOM 0 H GLY A 34 5.213 4.670 13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.383 7.263 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.220 6.152 13.522 1.00 0.00 H new ATOM 428 N LYS A 35 5.702 8.411 12.447 1.00 0.00 N ATOM 429 CA LYS A 35 5.075 9.117 11.335 1.00 0.00 C ATOM 430 C LYS A 35 6.124 9.613 10.345 1.00 0.00 C ATOM 431 O LYS A 35 6.055 10.746 9.867 1.00 0.00 O ATOM 432 CB LYS A 35 4.250 10.297 11.854 1.00 0.00 C ATOM 433 CG LYS A 35 3.009 10.582 11.026 1.00 0.00 C ATOM 434 CD LYS A 35 2.538 12.016 11.203 1.00 0.00 C ATOM 435 CE LYS A 35 1.020 12.111 11.179 1.00 0.00 C ATOM 436 NZ LYS A 35 0.474 11.925 9.806 1.00 0.00 N ATOM 0 H LYS A 35 6.275 9.000 13.051 1.00 0.00 H new ATOM 0 HA LYS A 35 4.415 8.419 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.952 10.096 12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.877 11.188 11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.222 10.395 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.212 9.898 11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.913 12.409 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.955 12.638 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.598 11.356 11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.711 13.083 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.563 11.997 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.856 12.660 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.747 10.988 9.448 1.00 0.00 H new ATOM 450 N HIS A 36 7.094 8.757 10.038 1.00 0.00 N ATOM 451 CA HIS A 36 8.156 9.107 9.102 1.00 0.00 C ATOM 452 C HIS A 36 8.258 8.074 7.985 1.00 0.00 C ATOM 453 O HIS A 36 7.678 6.992 8.072 1.00 0.00 O ATOM 454 CB HIS A 36 9.494 9.218 9.834 1.00 0.00 C ATOM 455 CG HIS A 36 9.811 8.027 10.685 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.190 7.776 11.891 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.688 7.013 10.498 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.673 6.662 12.409 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.584 6.179 11.584 1.00 0.00 N ATOM 0 H HIS A 36 7.166 7.816 10.424 1.00 0.00 H new ATOM 0 HA HIS A 36 7.912 10.072 8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.290 9.353 9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.483 10.110 10.461 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.347 6.884 9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.374 6.221 13.348 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.123 5.325 11.730 1.00 0.00 H new ATOM 467 N GLU A 37 8.998 8.416 6.935 1.00 0.00 N ATOM 468 CA GLU A 37 9.174 7.518 5.800 1.00 0.00 C ATOM 469 C GLU A 37 7.827 7.144 5.187 1.00 0.00 C ATOM 470 O GLU A 37 7.408 5.987 5.205 1.00 0.00 O ATOM 471 CB GLU A 37 9.918 6.252 6.233 1.00 0.00 C ATOM 472 CG GLU A 37 11.294 6.525 6.817 1.00 0.00 C ATOM 473 CD GLU A 37 12.407 6.322 5.807 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.385 6.994 4.755 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.301 5.490 6.070 1.00 0.00 O ATOM 0 H GLU A 37 9.485 9.308 6.847 1.00 0.00 H new ATOM 0 HA GLU A 37 9.765 8.039 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.317 5.722 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.022 5.590 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.330 7.548 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.459 5.868 7.671 1.00 0.00 H new ATOM 482 N PRO A 38 7.132 8.148 4.632 1.00 0.00 N ATOM 483 CA PRO A 38 5.822 7.951 4.004 1.00 0.00 C ATOM 484 C PRO A 38 5.916 7.165 2.701 1.00 0.00 C ATOM 485 O PRO A 38 4.976 6.474 2.312 1.00 0.00 O ATOM 486 CB PRO A 38 5.340 9.378 3.734 1.00 0.00 C ATOM 487 CG PRO A 38 6.587 10.186 3.631 1.00 0.00 C ATOM 488 CD PRO A 38 7.571 9.552 4.575 1.00 0.00 C ATOM 0 HA PRO A 38 5.150 7.372 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.757 9.432 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.700 9.739 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.969 10.185 2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.402 11.226 3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.594 9.639 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.545 10.022 5.558 1.00 0.00 H new ATOM 496 N ASN A 39 7.059 7.275 2.030 1.00 0.00 N ATOM 497 CA ASN A 39 7.276 6.575 0.770 1.00 0.00 C ATOM 498 C ASN A 39 7.441 5.076 1.002 1.00 0.00 C ATOM 499 O ASN A 39 7.055 4.261 0.164 1.00 0.00 O ATOM 500 CB ASN A 39 8.511 7.131 0.059 1.00 0.00 C ATOM 501 CG ASN A 39 9.012 6.210 -1.036 1.00 0.00 C ATOM 502 OD1 ASN A 39 8.454 6.169 -2.133 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.071 5.463 -0.743 1.00 0.00 N ATOM 0 H ASN A 39 7.848 7.842 2.339 1.00 0.00 H new ATOM 0 HA ASN A 39 6.401 6.733 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.272 8.104 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.306 7.290 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.453 4.824 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.502 5.529 0.179 1.00 0.00 H new ATOM 510 N MET A 40 8.017 4.720 2.146 1.00 0.00 N ATOM 511 CA MET A 40 8.231 3.319 2.489 1.00 0.00 C ATOM 512 C MET A 40 7.100 2.796 3.369 1.00 0.00 C ATOM 513 O MET A 40 7.289 1.858 4.144 1.00 0.00 O ATOM 514 CB MET A 40 9.572 3.147 3.206 1.00 0.00 C ATOM 515 CG MET A 40 10.765 3.600 2.379 1.00 0.00 C ATOM 516 SD MET A 40 12.341 3.219 3.168 1.00 0.00 S ATOM 517 CE MET A 40 12.406 1.441 2.954 1.00 0.00 C ATOM 0 H MET A 40 8.343 5.382 2.850 1.00 0.00 H new ATOM 0 HA MET A 40 8.245 2.742 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.551 3.711 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.701 2.098 3.471 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.727 3.120 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.698 4.675 2.210 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.652 0.969 3.905 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.437 1.080 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.169 1.191 2.217 1.00 0.00 H new ATOM 527 N GLN A 41 5.927 3.408 3.244 1.00 0.00 N ATOM 528 CA GLN A 41 4.767 3.003 4.030 1.00 0.00 C ATOM 529 C GLN A 41 3.767 2.239 3.169 1.00 0.00 C ATOM 530 O GLN A 41 3.384 2.694 2.090 1.00 0.00 O ATOM 531 CB GLN A 41 4.093 4.228 4.650 1.00 0.00 C ATOM 532 CG GLN A 41 4.392 4.402 6.131 1.00 0.00 C ATOM 533 CD GLN A 41 3.657 5.580 6.740 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.935 6.300 6.050 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.837 5.782 8.040 1.00 0.00 N ATOM 0 H GLN A 41 5.755 4.185 2.607 1.00 0.00 H new ATOM 0 HA GLN A 41 5.111 2.344 4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.417 5.121 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.015 4.148 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.116 3.492 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.465 4.538 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.445 5.160 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.368 6.559 8.505 1.00 0.00 H new ATOM 544 N LEU A 42 3.347 1.075 3.652 1.00 0.00 N ATOM 545 CA LEU A 42 2.391 0.246 2.926 1.00 0.00 C ATOM 546 C LEU A 42 0.982 0.428 3.481 1.00 0.00 C ATOM 547 O LEU A 42 0.744 0.238 4.675 1.00 0.00 O ATOM 548 CB LEU A 42 2.797 -1.227 3.007 1.00 0.00 C ATOM 549 CG LEU A 42 4.297 -1.514 2.933 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.564 -3.002 3.094 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.874 -1.005 1.620 1.00 0.00 C ATOM 0 H LEU A 42 3.653 0.684 4.543 1.00 0.00 H new ATOM 0 HA LEU A 42 2.395 0.560 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.414 -1.638 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.304 -1.764 2.197 1.00 0.00 H new ATOM 0 HG LEU A 42 4.789 -0.987 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.637 -3.187 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.187 -3.337 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.060 -3.550 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.942 -1.218 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.377 -1.503 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.716 0.071 1.546 1.00 0.00 H new ATOM 563 N LEU A 43 0.050 0.793 2.608 1.00 0.00 N ATOM 564 CA LEU A 43 -1.337 0.998 3.010 1.00 0.00 C ATOM 565 C LEU A 43 -2.169 -0.255 2.756 1.00 0.00 C ATOM 566 O LEU A 43 -1.976 -0.949 1.757 1.00 0.00 O ATOM 567 CB LEU A 43 -1.938 2.185 2.254 1.00 0.00 C ATOM 568 CG LEU A 43 -2.558 3.286 3.115 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.759 2.752 3.881 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.524 3.858 4.073 1.00 0.00 C ATOM 0 H LEU A 43 0.230 0.953 1.617 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.352 1.211 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.157 2.630 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.703 1.808 1.576 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.899 4.087 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.187 3.550 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.508 2.390 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.443 1.933 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.982 4.640 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.154 3.066 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.694 4.278 3.504 1.00 0.00 H new ATOM 582 N CYS A 44 -3.095 -0.538 3.666 1.00 0.00 N ATOM 583 CA CYS A 44 -3.958 -1.707 3.540 1.00 0.00 C ATOM 584 C CYS A 44 -5.177 -1.392 2.678 1.00 0.00 C ATOM 585 O CYS A 44 -5.706 -0.281 2.714 1.00 0.00 O ATOM 586 CB CYS A 44 -4.407 -2.185 4.923 1.00 0.00 C ATOM 587 SG CYS A 44 -5.363 -3.736 4.898 1.00 0.00 S ATOM 0 H CYS A 44 -3.267 0.026 4.498 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.388 -2.500 3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.527 -2.323 5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.011 -1.405 5.387 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.033 -4.466 5.922 1.00 0.00 H new ATOM 592 N ASP A 45 -5.618 -2.379 1.905 1.00 0.00 N ATOM 593 CA ASP A 45 -6.776 -2.209 1.035 1.00 0.00 C ATOM 594 C ASP A 45 -8.043 -2.724 1.710 1.00 0.00 C ATOM 595 O ASP A 45 -8.984 -3.149 1.041 1.00 0.00 O ATOM 596 CB ASP A 45 -6.556 -2.940 -0.290 1.00 0.00 C ATOM 597 CG ASP A 45 -6.703 -2.024 -1.489 1.00 0.00 C ATOM 598 OD1 ASP A 45 -7.855 -1.738 -1.880 1.00 0.00 O ATOM 599 OD2 ASP A 45 -5.667 -1.591 -2.035 1.00 0.00 O ATOM 0 H ASP A 45 -5.191 -3.304 1.863 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.898 -1.144 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.560 -3.384 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.271 -3.759 -0.373 1.00 0.00 H new ATOM 604 N GLU A 46 -8.059 -2.682 3.038 1.00 0.00 N ATOM 605 CA GLU A 46 -9.211 -3.146 3.803 1.00 0.00 C ATOM 606 C GLU A 46 -9.511 -2.201 4.963 1.00 0.00 C ATOM 607 O GLU A 46 -10.615 -1.669 5.075 1.00 0.00 O ATOM 608 CB GLU A 46 -8.962 -4.560 4.334 1.00 0.00 C ATOM 609 CG GLU A 46 -10.209 -5.231 4.885 1.00 0.00 C ATOM 610 CD GLU A 46 -11.292 -5.401 3.837 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.053 -6.123 2.847 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.380 -4.811 4.008 1.00 0.00 O ATOM 0 H GLU A 46 -7.288 -2.332 3.607 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.074 -3.162 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.554 -5.174 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.206 -4.517 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.943 -6.208 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.600 -4.639 5.713 1.00 0.00 H new ATOM 619 N CYS A 47 -8.520 -1.998 5.824 1.00 0.00 N ATOM 620 CA CYS A 47 -8.676 -1.119 6.976 1.00 0.00 C ATOM 621 C CYS A 47 -8.004 0.229 6.727 1.00 0.00 C ATOM 622 O CYS A 47 -8.220 1.188 7.466 1.00 0.00 O ATOM 623 CB CYS A 47 -8.084 -1.772 8.227 1.00 0.00 C ATOM 624 SG CYS A 47 -6.304 -2.138 8.103 1.00 0.00 S ATOM 0 H CYS A 47 -7.600 -2.431 5.746 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.742 -0.951 7.131 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.250 -1.114 9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.621 -2.699 8.429 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.061 -2.735 6.974 1.00 0.00 H new ATOM 629 N ASN A 48 -7.187 0.292 5.680 1.00 0.00 N ATOM 630 CA ASN A 48 -6.483 1.521 5.333 1.00 0.00 C ATOM 631 C ASN A 48 -5.511 1.922 6.439 1.00 0.00 C ATOM 632 O ASN A 48 -5.673 2.963 7.075 1.00 0.00 O ATOM 633 CB ASN A 48 -7.482 2.652 5.082 1.00 0.00 C ATOM 634 CG ASN A 48 -8.644 2.215 4.210 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.671 1.757 4.710 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.484 2.355 2.899 1.00 0.00 N ATOM 0 H ASN A 48 -6.996 -0.493 5.058 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.914 1.339 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.864 3.014 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.969 3.488 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.231 2.078 2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.615 2.740 2.530 1.00 0.00 H new ATOM 643 N VAL A 49 -4.501 1.087 6.662 1.00 0.00 N ATOM 644 CA VAL A 49 -3.501 1.355 7.689 1.00 0.00 C ATOM 645 C VAL A 49 -2.099 1.403 7.092 1.00 0.00 C ATOM 646 O VAL A 49 -1.738 0.568 6.263 1.00 0.00 O ATOM 647 CB VAL A 49 -3.538 0.288 8.799 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.085 -1.060 8.260 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.678 0.717 9.978 1.00 0.00 C ATOM 0 H VAL A 49 -4.354 0.220 6.146 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.742 2.327 8.120 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.566 0.186 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.118 -1.801 9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.747 -1.369 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.065 -0.977 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.715 -0.048 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.648 0.849 9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.054 1.658 10.379 1.00 0.00 H new ATOM 659 N ALA A 50 -1.313 2.385 7.520 1.00 0.00 N ATOM 660 CA ALA A 50 0.051 2.540 7.030 1.00 0.00 C ATOM 661 C ALA A 50 1.039 1.775 7.903 1.00 0.00 C ATOM 662 O ALA A 50 1.098 1.979 9.116 1.00 0.00 O ATOM 663 CB ALA A 50 0.426 4.014 6.971 1.00 0.00 C ATOM 0 H ALA A 50 -1.597 3.085 8.205 1.00 0.00 H new ATOM 0 HA ALA A 50 0.099 2.123 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.447 4.115 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.255 4.536 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.355 4.448 7.968 1.00 0.00 H new ATOM 669 N TYR A 51 1.813 0.893 7.280 1.00 0.00 N ATOM 670 CA TYR A 51 2.796 0.095 8.002 1.00 0.00 C ATOM 671 C TYR A 51 4.147 0.122 7.292 1.00 0.00 C ATOM 672 O TYR A 51 4.219 0.021 6.067 1.00 0.00 O ATOM 673 CB TYR A 51 2.310 -1.349 8.141 1.00 0.00 C ATOM 674 CG TYR A 51 1.434 -1.578 9.352 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.945 -1.450 10.637 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.096 -1.924 9.211 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.149 -1.660 11.747 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.708 -2.134 10.314 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.176 -2.001 11.580 1.00 0.00 C ATOM 680 OH TYR A 51 -0.973 -2.211 12.682 1.00 0.00 O ATOM 0 H TYR A 51 1.778 0.713 6.277 1.00 0.00 H new ATOM 0 HA TYR A 51 2.918 0.527 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.755 -1.625 7.244 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.174 -2.011 8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.982 -1.182 10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.323 -2.031 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.563 -1.558 12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.747 -2.401 10.186 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.880 -2.442 12.391 1.00 0.00 H new ATOM 690 N HIS A 52 5.215 0.258 8.071 1.00 0.00 N ATOM 691 CA HIS A 52 6.564 0.297 7.519 1.00 0.00 C ATOM 692 C HIS A 52 6.962 -1.065 6.959 1.00 0.00 C ATOM 693 O HIS A 52 6.353 -2.084 7.288 1.00 0.00 O ATOM 694 CB HIS A 52 7.564 0.732 8.590 1.00 0.00 C ATOM 695 CG HIS A 52 7.360 2.138 9.065 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.855 2.608 10.263 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.711 3.180 8.494 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.518 3.876 10.410 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.823 4.248 9.349 1.00 0.00 N ATOM 0 H HIS A 52 5.172 0.343 9.087 1.00 0.00 H new ATOM 0 HA HIS A 52 6.575 1.022 6.705 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.489 0.055 9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.574 0.634 8.193 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.200 3.172 7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.768 4.503 11.253 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.433 5.177 9.191 1.00 0.00 H new ATOM 707 N ILE A 53 7.985 -1.075 6.111 1.00 0.00 N ATOM 708 CA ILE A 53 8.463 -2.312 5.506 1.00 0.00 C ATOM 709 C ILE A 53 9.375 -3.075 6.461 1.00 0.00 C ATOM 710 O ILE A 53 9.663 -4.254 6.253 1.00 0.00 O ATOM 711 CB ILE A 53 9.224 -2.040 4.195 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.430 -1.136 4.458 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.298 -1.410 3.166 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.694 -1.598 3.767 1.00 0.00 C ATOM 0 H ILE A 53 8.499 -0.241 5.827 1.00 0.00 H new ATOM 0 HA ILE A 53 7.583 -2.917 5.287 1.00 0.00 H new ATOM 0 HB ILE A 53 9.584 -2.989 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.194 -0.124 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.610 -1.087 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.850 -1.224 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.468 -2.086 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.911 -0.468 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.507 -0.910 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.954 -2.598 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.532 -1.620 2.689 1.00 0.00 H new ATOM 726 N TYR A 54 9.824 -2.395 7.510 1.00 0.00 N ATOM 727 CA TYR A 54 10.704 -3.008 8.498 1.00 0.00 C ATOM 728 C TYR A 54 10.021 -3.090 9.860 1.00 0.00 C ATOM 729 O TYR A 54 10.682 -3.121 10.899 1.00 0.00 O ATOM 730 CB TYR A 54 12.006 -2.214 8.615 1.00 0.00 C ATOM 731 CG TYR A 54 11.798 -0.719 8.696 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.498 -0.104 9.906 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.901 0.079 7.563 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.307 1.262 9.985 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.713 1.446 7.633 1.00 0.00 C ATOM 736 CZ TYR A 54 11.416 2.032 8.846 1.00 0.00 C ATOM 737 OH TYR A 54 11.226 3.393 8.919 1.00 0.00 O ATOM 0 H TYR A 54 9.593 -1.419 7.698 1.00 0.00 H new ATOM 0 HA TYR A 54 10.932 -4.020 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.546 -2.546 9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.637 -2.439 7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.413 -0.704 10.800 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.132 -0.377 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.074 1.724 10.933 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.798 2.052 6.743 1.00 0.00 H new ATOM 0 HH TYR A 54 11.494 3.714 9.805 1.00 0.00 H new ATOM 747 N CYS A 55 8.693 -3.124 9.847 1.00 0.00 N ATOM 748 CA CYS A 55 7.917 -3.202 11.079 1.00 0.00 C ATOM 749 C CYS A 55 6.785 -4.217 10.946 1.00 0.00 C ATOM 750 O CYS A 55 5.804 -4.170 11.690 1.00 0.00 O ATOM 751 CB CYS A 55 7.346 -1.828 11.434 1.00 0.00 C ATOM 752 SG CYS A 55 8.603 -0.604 11.926 1.00 0.00 S ATOM 0 H CYS A 55 8.131 -3.099 8.996 1.00 0.00 H new ATOM 0 HA CYS A 55 8.582 -3.529 11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.795 -1.443 10.576 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.629 -1.943 12.247 1.00 0.00 H new ATOM 0 HG CYS A 55 9.564 -0.592 11.050 1.00 0.00 H new ATOM 757 N LEU A 56 6.929 -5.133 9.996 1.00 0.00 N ATOM 758 CA LEU A 56 5.919 -6.161 9.765 1.00 0.00 C ATOM 759 C LEU A 56 6.229 -7.419 10.569 1.00 0.00 C ATOM 760 O LEU A 56 7.202 -7.463 11.321 1.00 0.00 O ATOM 761 CB LEU A 56 5.840 -6.500 8.275 1.00 0.00 C ATOM 762 CG LEU A 56 5.053 -5.520 7.405 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.153 -5.910 5.938 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.597 -5.465 7.846 1.00 0.00 C ATOM 0 H LEU A 56 7.735 -5.186 9.373 1.00 0.00 H new ATOM 0 HA LEU A 56 4.956 -5.770 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.855 -6.568 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.392 -7.488 8.171 1.00 0.00 H new ATOM 0 HG LEU A 56 5.486 -4.527 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.587 -5.201 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.198 -5.897 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.746 -6.912 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.052 -4.762 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.151 -6.456 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.543 -5.138 8.884 1.00 0.00 H new ATOM 776 N ASN A 57 5.396 -8.442 10.403 1.00 0.00 N ATOM 777 CA ASN A 57 5.583 -9.702 11.112 1.00 0.00 C ATOM 778 C ASN A 57 5.089 -10.877 10.272 1.00 0.00 C ATOM 779 O ASN A 57 3.904 -11.210 10.261 1.00 0.00 O ATOM 780 CB ASN A 57 4.843 -9.672 12.451 1.00 0.00 C ATOM 781 CG ASN A 57 5.779 -9.846 13.632 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.018 -10.963 14.089 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.312 -8.737 14.132 1.00 0.00 N ATOM 0 H ASN A 57 4.586 -8.422 9.784 1.00 0.00 H new ATOM 0 HA ASN A 57 6.649 -9.832 11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.311 -8.725 12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.092 -10.462 12.466 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.948 -8.791 14.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.085 -7.832 13.721 1.00 0.00 H new ATOM 790 N PRO A 58 6.019 -11.521 9.552 1.00 0.00 N ATOM 791 CA PRO A 58 7.433 -11.134 9.557 1.00 0.00 C ATOM 792 C PRO A 58 7.672 -9.801 8.855 1.00 0.00 C ATOM 793 O PRO A 58 6.793 -9.261 8.182 1.00 0.00 O ATOM 794 CB PRO A 58 8.115 -12.271 8.792 1.00 0.00 C ATOM 795 CG PRO A 58 7.049 -12.830 7.914 1.00 0.00 C ATOM 796 CD PRO A 58 5.762 -12.677 8.677 1.00 0.00 C ATOM 0 HA PRO A 58 7.814 -10.994 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.958 -11.904 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.505 -13.028 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.006 -12.296 6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.243 -13.877 7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.919 -12.497 8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.527 -13.572 9.253 1.00 0.00 H new ATOM 804 N PRO A 59 8.887 -9.257 9.013 1.00 0.00 N ATOM 805 CA PRO A 59 9.269 -7.982 8.400 1.00 0.00 C ATOM 806 C PRO A 59 9.405 -8.084 6.885 1.00 0.00 C ATOM 807 O PRO A 59 9.136 -9.132 6.297 1.00 0.00 O ATOM 808 CB PRO A 59 10.626 -7.674 9.039 1.00 0.00 C ATOM 809 CG PRO A 59 11.172 -9.004 9.429 1.00 0.00 C ATOM 810 CD PRO A 59 9.983 -9.846 9.802 1.00 0.00 C ATOM 0 HA PRO A 59 8.518 -7.209 8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.287 -7.165 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.517 -7.022 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.727 -9.455 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.863 -8.912 10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.139 -10.895 9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.778 -9.800 10.872 1.00 0.00 H new ATOM 818 N LEU A 60 9.822 -6.990 6.258 1.00 0.00 N ATOM 819 CA LEU A 60 9.994 -6.956 4.810 1.00 0.00 C ATOM 820 C LEU A 60 11.328 -6.319 4.434 1.00 0.00 C ATOM 821 O LEU A 60 11.586 -5.159 4.757 1.00 0.00 O ATOM 822 CB LEU A 60 8.846 -6.184 4.158 1.00 0.00 C ATOM 823 CG LEU A 60 7.775 -7.030 3.468 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.663 -6.145 2.925 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.390 -7.861 2.351 1.00 0.00 C ATOM 0 H LEU A 60 10.047 -6.114 6.730 1.00 0.00 H new ATOM 0 HA LEU A 60 9.987 -7.983 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.363 -5.576 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.267 -5.497 3.424 1.00 0.00 H new ATOM 0 HG LEU A 60 7.345 -7.708 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.910 -6.764 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.203 -5.594 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.078 -5.442 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.614 -8.457 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.847 -7.200 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.150 -8.523 2.766 1.00 0.00 H new ATOM 837 N ASP A 61 12.171 -7.084 3.749 1.00 0.00 N ATOM 838 CA ASP A 61 13.477 -6.593 3.325 1.00 0.00 C ATOM 839 C ASP A 61 13.341 -5.291 2.542 1.00 0.00 C ATOM 840 O ASP A 61 14.251 -4.461 2.533 1.00 0.00 O ATOM 841 CB ASP A 61 14.188 -7.644 2.472 1.00 0.00 C ATOM 842 CG ASP A 61 15.038 -8.586 3.302 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.899 -8.573 4.543 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.843 -9.336 2.710 1.00 0.00 O ATOM 0 H ASP A 61 11.973 -8.047 3.476 1.00 0.00 H new ATOM 0 HA ASP A 61 14.071 -6.398 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.447 -8.221 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.818 -7.145 1.736 1.00 0.00 H new ATOM 849 N LYS A 62 12.199 -5.118 1.886 1.00 0.00 N ATOM 850 CA LYS A 62 11.942 -3.917 1.099 1.00 0.00 C ATOM 851 C LYS A 62 10.459 -3.791 0.767 1.00 0.00 C ATOM 852 O LYS A 62 9.634 -4.558 1.264 1.00 0.00 O ATOM 853 CB LYS A 62 12.764 -3.942 -0.191 1.00 0.00 C ATOM 854 CG LYS A 62 12.422 -5.104 -1.108 1.00 0.00 C ATOM 855 CD LYS A 62 13.610 -5.508 -1.964 1.00 0.00 C ATOM 856 CE LYS A 62 13.282 -6.705 -2.844 1.00 0.00 C ATOM 857 NZ LYS A 62 14.090 -6.711 -4.095 1.00 0.00 N ATOM 0 H LYS A 62 11.436 -5.795 1.883 1.00 0.00 H new ATOM 0 HA LYS A 62 12.238 -3.053 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.608 -3.007 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.823 -3.990 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.096 -5.956 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.587 -4.827 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.912 -4.668 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.457 -5.748 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.465 -7.625 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.222 -6.691 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.837 -7.542 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.896 -5.845 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.101 -6.750 -3.855 1.00 0.00 H new ATOM 871 N VAL A 63 10.126 -2.820 -0.078 1.00 0.00 N ATOM 872 CA VAL A 63 8.742 -2.596 -0.478 1.00 0.00 C ATOM 873 C VAL A 63 8.324 -3.567 -1.577 1.00 0.00 C ATOM 874 O VAL A 63 9.044 -3.788 -2.551 1.00 0.00 O ATOM 875 CB VAL A 63 8.528 -1.153 -0.974 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.075 -0.933 -1.364 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.961 -0.155 0.090 1.00 0.00 C ATOM 0 H VAL A 63 10.796 -2.176 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 63 8.126 -2.764 0.405 1.00 0.00 H new ATOM 0 HB VAL A 63 9.144 -0.996 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.943 0.092 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.804 -1.625 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.436 -1.108 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.803 0.859 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.373 -0.309 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.018 -0.299 0.315 1.00 0.00 H new ATOM 887 N PRO A 64 7.132 -4.160 -1.420 1.00 0.00 N ATOM 888 CA PRO A 64 6.590 -5.117 -2.389 1.00 0.00 C ATOM 889 C PRO A 64 6.194 -4.450 -3.702 1.00 0.00 C ATOM 890 O PRO A 64 6.397 -3.250 -3.885 1.00 0.00 O ATOM 891 CB PRO A 64 5.354 -5.678 -1.681 1.00 0.00 C ATOM 892 CG PRO A 64 4.948 -4.610 -0.725 1.00 0.00 C ATOM 893 CD PRO A 64 6.221 -3.943 -0.283 1.00 0.00 C ATOM 0 HA PRO A 64 7.322 -5.877 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.557 -5.898 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.583 -6.608 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.278 -3.894 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.412 -5.031 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.071 -2.882 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.610 -4.386 0.634 1.00 0.00 H new ATOM 901 N GLU A 65 5.628 -5.235 -4.613 1.00 0.00 N ATOM 902 CA GLU A 65 5.205 -4.719 -5.910 1.00 0.00 C ATOM 903 C GLU A 65 4.215 -5.670 -6.577 1.00 0.00 C ATOM 904 O GLU A 65 4.099 -5.701 -7.802 1.00 0.00 O ATOM 905 CB GLU A 65 6.417 -4.507 -6.819 1.00 0.00 C ATOM 906 CG GLU A 65 6.166 -3.520 -7.947 1.00 0.00 C ATOM 907 CD GLU A 65 7.375 -2.655 -8.246 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.490 -3.208 -8.350 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.207 -1.424 -8.375 1.00 0.00 O ATOM 0 H GLU A 65 5.452 -6.230 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 65 4.710 -3.762 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.254 -4.153 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.713 -5.466 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.884 -4.067 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.323 -2.881 -7.685 1.00 0.00 H new ATOM 916 N GLU A 66 3.505 -6.443 -5.762 1.00 0.00 N ATOM 917 CA GLU A 66 2.526 -7.395 -6.273 1.00 0.00 C ATOM 918 C GLU A 66 1.202 -6.702 -6.581 1.00 0.00 C ATOM 919 O GLU A 66 1.116 -5.475 -6.572 1.00 0.00 O ATOM 920 CB GLU A 66 2.302 -8.522 -5.263 1.00 0.00 C ATOM 921 CG GLU A 66 3.587 -9.176 -4.785 1.00 0.00 C ATOM 922 CD GLU A 66 3.518 -10.691 -4.817 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.958 -11.280 -3.869 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.023 -11.287 -5.792 1.00 0.00 O ATOM 0 H GLU A 66 3.589 -6.429 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 66 2.918 -7.819 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.764 -8.125 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.664 -9.282 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.415 -8.841 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.801 -8.847 -3.768 1.00 0.00 H new ATOM 931 N GLU A 67 0.173 -7.498 -6.854 1.00 0.00 N ATOM 932 CA GLU A 67 -1.146 -6.961 -7.166 1.00 0.00 C ATOM 933 C GLU A 67 -1.597 -5.971 -6.096 1.00 0.00 C ATOM 934 O GLU A 67 -2.032 -4.861 -6.406 1.00 0.00 O ATOM 935 CB GLU A 67 -2.167 -8.095 -7.289 1.00 0.00 C ATOM 936 CG GLU A 67 -3.157 -7.901 -8.425 1.00 0.00 C ATOM 937 CD GLU A 67 -2.482 -7.814 -9.780 1.00 0.00 C ATOM 938 OE1 GLU A 67 -2.126 -6.691 -10.195 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.309 -8.869 -10.425 1.00 0.00 O ATOM 0 H GLU A 67 0.227 -8.516 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.080 -6.436 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.637 -9.036 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.715 -8.182 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.866 -8.729 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.731 -6.991 -8.250 1.00 0.00 H new ATOM 946 N TYR A 68 -1.491 -6.380 -4.837 1.00 0.00 N ATOM 947 CA TYR A 68 -1.890 -5.531 -3.721 1.00 0.00 C ATOM 948 C TYR A 68 -1.175 -5.944 -2.438 1.00 0.00 C ATOM 949 O TYR A 68 -0.544 -6.999 -2.380 1.00 0.00 O ATOM 950 CB TYR A 68 -3.405 -5.598 -3.518 1.00 0.00 C ATOM 951 CG TYR A 68 -3.959 -7.004 -3.556 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.753 -7.882 -2.500 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.690 -7.454 -4.649 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.256 -9.168 -2.531 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.199 -8.738 -4.688 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.979 -9.591 -3.627 1.00 0.00 C ATOM 957 OH TYR A 68 -5.484 -10.871 -3.661 1.00 0.00 O ATOM 0 H TYR A 68 -1.132 -7.295 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.607 -4.506 -3.959 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.655 -5.144 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.893 -5.003 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.189 -7.553 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.863 -6.789 -5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.084 -9.838 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.766 -9.072 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.969 -11.009 -4.501 1.00 0.00 H new ATOM 967 N TRP A 69 -1.280 -5.106 -1.414 1.00 0.00 N ATOM 968 CA TRP A 69 -0.645 -5.384 -0.131 1.00 0.00 C ATOM 969 C TRP A 69 -1.636 -5.217 1.015 1.00 0.00 C ATOM 970 O TRP A 69 -2.261 -4.166 1.160 1.00 0.00 O ATOM 971 CB TRP A 69 0.555 -4.459 0.078 1.00 0.00 C ATOM 972 CG TRP A 69 1.255 -4.679 1.385 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.351 -5.463 1.606 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.905 -4.110 2.651 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.703 -5.416 2.933 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.832 -4.592 3.595 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.101 -3.238 3.078 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.781 -4.231 4.939 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.150 -2.882 4.412 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.786 -3.377 5.330 1.00 0.00 C ATOM 0 H TRP A 69 -1.799 -4.228 -1.447 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.301 -6.418 -0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.265 -4.608 -0.736 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.220 -3.423 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.866 -6.036 0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.486 -5.914 3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.826 -2.850 2.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.501 -4.612 5.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.924 -2.210 4.753 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.721 -3.079 6.366 1.00 0.00 H new ATOM 991 N TYR A 70 -1.776 -6.259 1.827 1.00 0.00 N ATOM 992 CA TYR A 70 -2.693 -6.228 2.960 1.00 0.00 C ATOM 993 C TYR A 70 -1.943 -6.416 4.275 1.00 0.00 C ATOM 994 O TYR A 70 -1.155 -7.349 4.426 1.00 0.00 O ATOM 995 CB TYR A 70 -3.760 -7.314 2.809 1.00 0.00 C ATOM 996 CG TYR A 70 -4.865 -6.948 1.844 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.590 -6.690 0.507 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.185 -6.861 2.270 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.596 -6.354 -0.377 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.198 -6.527 1.392 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.899 -6.274 0.070 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.904 -5.941 -0.809 1.00 0.00 O ATOM 0 H TYR A 70 -1.266 -7.136 1.721 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.177 -5.251 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.284 -8.234 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.196 -7.521 3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.572 -6.753 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.423 -7.058 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.364 -6.155 -1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.219 -6.464 1.739 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.762 -5.929 -0.336 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.194 -5.521 5.225 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.544 -5.585 6.528 1.00 0.00 C ATOM 1014 C CYS A 71 -1.688 -6.976 7.139 1.00 0.00 C ATOM 1015 O CYS A 71 -2.612 -7.727 6.826 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.139 -4.538 7.471 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.788 -4.968 8.114 1.00 0.00 S ATOM 0 H CYS A 71 -2.844 -4.742 5.116 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.483 -5.376 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.460 -4.393 8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.203 -3.585 6.945 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.566 -3.929 8.042 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.752 -7.329 8.033 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.753 -8.630 8.708 1.00 0.00 C ATOM 1024 C PRO A 72 -1.898 -8.765 9.706 1.00 0.00 C ATOM 1025 O PRO A 72 -2.142 -9.846 10.243 1.00 0.00 O ATOM 1026 CB PRO A 72 0.595 -8.655 9.434 1.00 0.00 C ATOM 1027 CG PRO A 72 0.940 -7.220 9.640 1.00 0.00 C ATOM 1028 CD PRO A 72 0.378 -6.485 8.455 1.00 0.00 C ATOM 0 HA PRO A 72 -0.890 -9.453 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.524 -9.185 10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.355 -9.164 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.513 -6.845 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.019 -7.084 9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.051 -5.481 8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.117 -6.378 7.661 1.00 0.00 H new ATOM 1036 N SER A 73 -2.596 -7.661 9.951 1.00 0.00 N ATOM 1037 CA SER A 73 -3.714 -7.655 10.888 1.00 0.00 C ATOM 1038 C SER A 73 -5.016 -8.022 10.182 1.00 0.00 C ATOM 1039 O SER A 73 -6.009 -8.365 10.825 1.00 0.00 O ATOM 1040 CB SER A 73 -3.847 -6.281 11.548 1.00 0.00 C ATOM 1041 OG SER A 73 -3.370 -6.308 12.882 1.00 0.00 O ATOM 0 H SER A 73 -2.407 -6.759 9.514 1.00 0.00 H new ATOM 0 HA SER A 73 -3.516 -8.401 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.288 -5.542 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.891 -5.969 11.538 1.00 0.00 H new ATOM 0 HG SER A 73 -3.464 -5.418 13.281 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.004 -7.946 8.856 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.183 -8.269 8.061 1.00 0.00 C ATOM 1049 C CYS A 74 -6.044 -9.644 7.415 1.00 0.00 C ATOM 1050 O CYS A 74 -6.925 -10.495 7.542 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.402 -7.206 6.982 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.302 -5.732 7.562 1.00 0.00 S ATOM 0 H CYS A 74 -4.191 -7.664 8.309 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.046 -8.286 8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.433 -6.896 6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.953 -7.652 6.154 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.471 -4.742 7.697 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.931 -9.856 6.720 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.673 -11.127 6.055 1.00 0.00 C ATOM 1059 C LYS A 75 -4.853 -12.293 7.022 1.00 0.00 C ATOM 1060 O LYS A 75 -4.052 -12.484 7.938 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.257 -11.145 5.475 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.830 -12.507 4.955 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.426 -12.468 4.375 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.421 -12.846 2.902 1.00 0.00 C ATOM 1065 NZ LYS A 75 -1.936 -11.743 2.044 1.00 0.00 N ATOM 0 H LYS A 75 -4.192 -9.162 6.603 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.392 -11.236 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.197 -10.420 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.555 -10.822 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.870 -13.235 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.531 -12.842 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.009 -11.468 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.783 -13.152 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.406 -13.100 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.032 -13.737 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.916 -12.040 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.913 -11.517 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.338 -10.901 2.166 1.00 0.00 H new