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= 0.439 USER MOD Set 1.3: A 71 CYS SG : rot -135:sc= 0.63 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0403 USER MOD Set 2.1: A 29 CYS SG : rot 164:sc= 0.663 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.731 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.14 X(o=0.69,f=0.44) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.438 USER MOD Set 3.1: A 13 CYS SG : rot 171:sc= 0.641 USER MOD Set 3.2: A 16 CYS SG : rot -53:sc= 0.809 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.31 USER MOD Set 3.4: A 27 CYS SG : rot 141:sc= 0.884 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 103:sc= 0.913 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.017) USER MOD Single : A 36 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.74) USER MOD Single : A 39 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.0057) USER MOD Single : A 40 MET CE :methyl -157:sc= -0.76 (180deg=-1.51) USER MOD Single : A 41 GLN : amide:sc= -1.7 K(o=-1.7,f=-1) USER MOD Single : A 48 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.5) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 54 TYR OH : rot 167:sc= 0.363 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.085) 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= -0.473 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 -10.013 11.747 11.006 1.00 0.00 N ATOM 146 CA CYS A 13 -9.316 10.972 12.024 1.00 0.00 C ATOM 147 C CYS A 13 -9.303 11.713 13.358 1.00 0.00 C ATOM 148 O CYS A 13 -8.862 12.860 13.439 1.00 0.00 O ATOM 149 CB CYS A 13 -7.882 10.677 11.578 1.00 0.00 C ATOM 150 SG CYS A 13 -7.042 9.401 12.571 1.00 0.00 S ATOM 0 HA CYS A 13 -9.849 10.031 12.156 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.895 10.360 10.535 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.302 11.599 11.624 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.914 9.084 12.007 1.00 0.00 H new ATOM 155 N ASP A 14 -9.789 11.050 14.402 1.00 0.00 N ATOM 156 CA ASP A 14 -9.833 11.645 15.732 1.00 0.00 C ATOM 157 C ASP A 14 -8.555 11.337 16.507 1.00 0.00 C ATOM 158 O ASP A 14 -8.143 12.107 17.376 1.00 0.00 O ATOM 159 CB ASP A 14 -11.049 11.131 16.505 1.00 0.00 C ATOM 160 CG ASP A 14 -12.359 11.566 15.878 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.705 11.039 14.800 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.039 12.432 16.466 1.00 0.00 O ATOM 0 H ASP A 14 -10.158 10.100 14.352 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.916 12.726 15.617 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.014 10.042 16.549 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.003 11.493 17.532 1.00 0.00 H new ATOM 167 N LEU A 15 -7.933 10.208 16.188 1.00 0.00 N ATOM 168 CA LEU A 15 -6.702 9.797 16.855 1.00 0.00 C ATOM 169 C LEU A 15 -5.668 10.918 16.826 1.00 0.00 C ATOM 170 O LEU A 15 -4.871 11.065 17.754 1.00 0.00 O ATOM 171 CB LEU A 15 -6.132 8.544 16.188 1.00 0.00 C ATOM 172 CG LEU A 15 -6.896 7.244 16.439 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.560 6.759 15.160 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.964 6.177 16.995 1.00 0.00 C ATOM 0 H LEU A 15 -8.261 9.560 15.471 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.938 9.572 17.895 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.091 8.716 15.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.105 8.410 16.529 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.674 7.439 17.177 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.099 5.833 15.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.258 7.516 14.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.799 6.580 14.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.525 5.258 17.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.164 5.985 16.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.535 6.523 17.936 1.00 0.00 H new ATOM 186 N CYS A 16 -5.687 11.707 15.758 1.00 0.00 N ATOM 187 CA CYS A 16 -4.753 12.816 15.609 1.00 0.00 C ATOM 188 C CYS A 16 -5.497 14.125 15.360 1.00 0.00 C ATOM 189 O CYS A 16 -5.106 15.179 15.860 1.00 0.00 O ATOM 190 CB CYS A 16 -3.783 12.542 14.457 1.00 0.00 C ATOM 191 SG CYS A 16 -4.597 12.094 12.890 1.00 0.00 S ATOM 0 H CYS A 16 -6.340 11.599 14.982 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.189 12.910 16.537 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.169 13.428 14.295 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.109 11.736 14.747 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.411 11.101 13.092 1.00 0.00 H new ATOM 196 N GLY A 17 -6.574 14.049 14.584 1.00 0.00 N ATOM 197 CA GLY A 17 -7.357 15.234 14.283 1.00 0.00 C ATOM 198 C GLY A 17 -7.258 15.639 12.826 1.00 0.00 C ATOM 199 O GLY A 17 -8.151 16.299 12.296 1.00 0.00 O ATOM 0 H GLY A 17 -6.918 13.188 14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.401 15.050 14.536 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.018 16.059 14.910 1.00 0.00 H new ATOM 203 N GLY A 18 -6.167 15.244 12.176 1.00 0.00 N ATOM 204 CA GLY A 18 -5.974 15.581 10.778 1.00 0.00 C ATOM 205 C GLY A 18 -4.859 16.587 10.572 1.00 0.00 C ATOM 206 O GLY A 18 -5.110 17.738 10.213 1.00 0.00 O ATOM 0 H GLY A 18 -5.414 14.697 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.749 14.674 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.902 15.984 10.373 1.00 0.00 H new ATOM 210 N ASP A 19 -3.624 16.155 10.803 1.00 0.00 N ATOM 211 CA ASP A 19 -2.466 17.026 10.641 1.00 0.00 C ATOM 212 C ASP A 19 -1.174 16.215 10.622 1.00 0.00 C ATOM 213 O ASP A 19 -1.097 15.112 11.162 1.00 0.00 O ATOM 214 CB ASP A 19 -2.418 18.059 11.769 1.00 0.00 C ATOM 215 CG ASP A 19 -2.582 19.478 11.261 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.738 19.929 11.123 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.554 20.138 11.003 1.00 0.00 O ATOM 0 H ASP A 19 -3.399 15.206 11.103 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.562 17.544 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.205 17.841 12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.468 17.973 12.297 1.00 0.00 H new ATOM 222 N PRO A 20 -0.135 16.773 9.983 1.00 0.00 N ATOM 223 CA PRO A 20 1.173 16.118 9.877 1.00 0.00 C ATOM 224 C PRO A 20 1.901 16.058 11.215 1.00 0.00 C ATOM 225 O PRO A 20 2.433 15.016 11.595 1.00 0.00 O ATOM 226 CB PRO A 20 1.936 17.008 8.892 1.00 0.00 C ATOM 227 CG PRO A 20 1.294 18.347 9.017 1.00 0.00 C ATOM 228 CD PRO A 20 -0.156 18.086 9.316 1.00 0.00 C ATOM 0 HA PRO A 20 1.085 15.080 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.997 17.053 9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.861 16.626 7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.758 18.929 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.405 18.920 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.579 18.857 9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.757 18.065 8.407 1.00 0.00 H new ATOM 236 N GLU A 21 1.920 17.182 11.925 1.00 0.00 N ATOM 237 CA GLU A 21 2.584 17.255 13.221 1.00 0.00 C ATOM 238 C GLU A 21 1.968 16.264 14.204 1.00 0.00 C ATOM 239 O GLU A 21 2.666 15.433 14.785 1.00 0.00 O ATOM 240 CB GLU A 21 2.494 18.674 13.786 1.00 0.00 C ATOM 241 CG GLU A 21 3.396 19.670 13.077 1.00 0.00 C ATOM 242 CD GLU A 21 4.560 20.120 13.939 1.00 0.00 C ATOM 243 OE1 GLU A 21 5.175 19.259 14.601 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.855 21.333 13.950 1.00 0.00 O ATOM 0 H GLU A 21 1.484 18.054 11.625 1.00 0.00 H new ATOM 0 HA GLU A 21 3.633 16.995 13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.462 19.018 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.753 18.652 14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.780 19.219 12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.809 20.540 12.782 1.00 0.00 H new ATOM 251 N LYS A 22 0.656 16.359 14.387 1.00 0.00 N ATOM 252 CA LYS A 22 -0.057 15.472 15.299 1.00 0.00 C ATOM 253 C LYS A 22 0.235 14.011 14.975 1.00 0.00 C ATOM 254 O LYS A 22 -0.249 13.477 13.976 1.00 0.00 O ATOM 255 CB LYS A 22 -1.563 15.732 15.223 1.00 0.00 C ATOM 256 CG LYS A 22 -1.937 17.194 15.392 1.00 0.00 C ATOM 257 CD LYS A 22 -2.749 17.420 16.657 1.00 0.00 C ATOM 258 CE LYS A 22 -2.879 18.900 16.979 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.984 19.540 16.212 1.00 0.00 N ATOM 0 H LYS A 22 0.064 17.042 13.915 1.00 0.00 H new ATOM 0 HA LYS A 22 0.290 15.678 16.312 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.936 15.379 14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.064 15.146 15.994 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.032 17.800 15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.510 17.526 14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.741 16.984 16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.274 16.905 17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.058 19.025 18.047 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.940 19.405 16.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.040 20.549 16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.801 19.443 15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.884 19.075 16.447 1.00 0.00 H new ATOM 273 N LYS A 23 1.027 13.367 15.826 1.00 0.00 N ATOM 274 CA LYS A 23 1.381 11.966 15.632 1.00 0.00 C ATOM 275 C LYS A 23 0.140 11.080 15.679 1.00 0.00 C ATOM 276 O LYS A 23 -0.852 11.417 16.325 1.00 0.00 O ATOM 277 CB LYS A 23 2.380 11.519 16.701 1.00 0.00 C ATOM 278 CG LYS A 23 3.302 10.402 16.243 1.00 0.00 C ATOM 279 CD LYS A 23 3.960 9.703 17.421 1.00 0.00 C ATOM 280 CE LYS A 23 5.444 9.475 17.176 1.00 0.00 C ATOM 281 NZ LYS A 23 6.281 10.515 17.835 1.00 0.00 N ATOM 0 H LYS A 23 1.436 13.794 16.657 1.00 0.00 H new ATOM 0 HA LYS A 23 1.841 11.866 14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.983 12.375 17.004 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.832 11.188 17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.735 9.677 15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.070 10.810 15.585 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.827 10.302 18.322 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.468 8.747 17.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.727 8.491 17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.640 9.477 16.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.285 10.324 17.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.029 11.452 17.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.114 10.496 18.861 1.00 0.00 H new ATOM 295 N CYS A 24 0.203 9.945 14.991 1.00 0.00 N ATOM 296 CA CYS A 24 -0.914 9.009 14.954 1.00 0.00 C ATOM 297 C CYS A 24 -0.418 7.575 14.793 1.00 0.00 C ATOM 298 O CYS A 24 0.681 7.340 14.290 1.00 0.00 O ATOM 299 CB CYS A 24 -1.865 9.363 13.809 1.00 0.00 C ATOM 300 SG CYS A 24 -3.540 8.670 13.992 1.00 0.00 S ATOM 0 H CYS A 24 1.017 9.651 14.451 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.450 9.085 15.900 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.938 10.448 13.734 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.437 9.007 12.872 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.152 8.706 12.846 1.00 0.00 H new ATOM 305 N HIS A 25 -1.236 6.620 15.224 1.00 0.00 N ATOM 306 CA HIS A 25 -0.881 5.208 15.127 1.00 0.00 C ATOM 307 C HIS A 25 -1.522 4.570 13.898 1.00 0.00 C ATOM 308 O HIS A 25 -0.997 3.605 13.343 1.00 0.00 O ATOM 309 CB HIS A 25 -1.317 4.464 16.389 1.00 0.00 C ATOM 310 CG HIS A 25 -0.179 4.099 17.292 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.015 3.586 16.829 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.056 4.177 18.638 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.821 3.362 17.851 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.195 3.713 18.960 1.00 0.00 N ATOM 0 H HIS A 25 -2.149 6.798 15.644 1.00 0.00 H new ATOM 0 HA HIS A 25 0.202 5.136 15.028 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.023 5.084 16.941 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.847 3.556 16.101 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.803 4.537 19.330 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.822 2.960 17.790 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.579 3.650 19.903 1.00 0.00 H new ATOM 322 N SER A 26 -2.660 5.115 13.480 1.00 0.00 N ATOM 323 CA SER A 26 -3.375 4.596 12.320 1.00 0.00 C ATOM 324 C SER A 26 -2.835 5.208 11.030 1.00 0.00 C ATOM 325 O SER A 26 -2.391 4.496 10.129 1.00 0.00 O ATOM 326 CB SER A 26 -4.872 4.883 12.447 1.00 0.00 C ATOM 327 OG SER A 26 -5.571 4.470 11.285 1.00 0.00 O ATOM 0 H SER A 26 -3.107 5.916 13.927 1.00 0.00 H new ATOM 0 HA SER A 26 -3.221 3.518 12.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.272 4.366 13.319 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.029 5.949 12.610 1.00 0.00 H new ATOM 0 HG SER A 26 -6.526 4.663 11.392 1.00 0.00 H new ATOM 333 N CYS A 27 -2.878 6.534 10.949 1.00 0.00 N ATOM 334 CA CYS A 27 -2.395 7.245 9.772 1.00 0.00 C ATOM 335 C CYS A 27 -0.960 6.842 9.444 1.00 0.00 C ATOM 336 O CYS A 27 -0.538 6.896 8.289 1.00 0.00 O ATOM 337 CB CYS A 27 -2.474 8.756 9.994 1.00 0.00 C ATOM 338 SG CYS A 27 -4.158 9.373 10.319 1.00 0.00 S ATOM 0 H CYS A 27 -3.243 7.138 11.686 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.031 6.975 8.929 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.832 9.023 10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.076 9.263 9.115 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.112 10.300 11.230 1.00 0.00 H new ATOM 343 N SER A 28 -0.216 6.440 10.469 1.00 0.00 N ATOM 344 CA SER A 28 1.173 6.032 10.291 1.00 0.00 C ATOM 345 C SER A 28 1.406 4.635 10.860 1.00 0.00 C ATOM 346 O SER A 28 0.460 3.931 11.216 1.00 0.00 O ATOM 347 CB SER A 28 2.112 7.033 10.967 1.00 0.00 C ATOM 348 OG SER A 28 2.286 6.723 12.339 1.00 0.00 O ATOM 0 H SER A 28 -0.551 6.388 11.431 1.00 0.00 H new ATOM 0 HA SER A 28 1.385 6.011 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.079 7.026 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.708 8.040 10.867 1.00 0.00 H new ATOM 0 HG SER A 28 3.158 6.295 12.470 1.00 0.00 H new ATOM 354 N CYS A 29 2.672 4.240 10.942 1.00 0.00 N ATOM 355 CA CYS A 29 3.032 2.929 11.467 1.00 0.00 C ATOM 356 C CYS A 29 2.405 2.701 12.839 1.00 0.00 C ATOM 357 O CYS A 29 2.554 3.521 13.745 1.00 0.00 O ATOM 358 CB CYS A 29 4.553 2.793 11.560 1.00 0.00 C ATOM 359 SG CYS A 29 5.132 1.088 11.837 1.00 0.00 S ATOM 0 H CYS A 29 3.466 4.810 10.651 1.00 0.00 H new ATOM 0 HA CYS A 29 2.648 2.173 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.998 3.171 10.640 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.915 3.424 12.372 1.00 0.00 H new ATOM 0 HG CYS A 29 6.403 1.013 11.573 1.00 0.00 H new ATOM 364 N ARG A 30 1.703 1.582 12.985 1.00 0.00 N ATOM 365 CA ARG A 30 1.053 1.246 14.246 1.00 0.00 C ATOM 366 C ARG A 30 1.951 0.359 15.102 1.00 0.00 C ATOM 367 O ARG A 30 1.761 0.249 16.313 1.00 0.00 O ATOM 368 CB ARG A 30 -0.279 0.540 13.985 1.00 0.00 C ATOM 369 CG ARG A 30 -1.350 0.860 15.015 1.00 0.00 C ATOM 370 CD ARG A 30 -2.642 1.313 14.354 1.00 0.00 C ATOM 371 NE ARG A 30 -3.821 0.809 15.054 1.00 0.00 N ATOM 372 CZ ARG A 30 -5.024 0.723 14.498 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.207 1.105 13.242 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.048 0.253 15.200 1.00 0.00 N ATOM 0 H ARG A 30 1.570 0.892 12.245 1.00 0.00 H new ATOM 0 HA ARG A 30 0.866 2.173 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.642 0.821 12.996 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.113 -0.537 13.969 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.543 -0.021 15.627 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.990 1.641 15.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.674 2.402 14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.660 0.969 13.320 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.714 0.507 16.022 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.423 1.466 12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.132 1.038 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.911 -0.042 16.167 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.972 0.187 14.773 1.00 0.00 H new ATOM 388 N VAL A 31 2.931 -0.274 14.464 1.00 0.00 N ATOM 389 CA VAL A 31 3.860 -1.151 15.166 1.00 0.00 C ATOM 390 C VAL A 31 4.799 -0.352 16.062 1.00 0.00 C ATOM 391 O VAL A 31 4.663 -0.360 17.286 1.00 0.00 O ATOM 392 CB VAL A 31 4.697 -1.988 14.180 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.692 -2.859 14.930 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.791 -2.835 13.299 1.00 0.00 C ATOM 0 H VAL A 31 3.102 -0.195 13.461 1.00 0.00 H new ATOM 0 HA VAL A 31 3.259 -1.822 15.780 1.00 0.00 H new ATOM 0 HB VAL A 31 5.258 -1.309 13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.274 -3.443 14.217 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.361 -2.227 15.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.155 -3.533 15.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.398 -3.420 12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.202 -3.507 13.923 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.123 -2.186 12.734 1.00 0.00 H new ATOM 404 N CYS A 32 5.753 0.337 15.445 1.00 0.00 N ATOM 405 CA CYS A 32 6.716 1.142 16.186 1.00 0.00 C ATOM 406 C CYS A 32 6.103 2.476 16.605 1.00 0.00 C ATOM 407 O CYS A 32 6.529 3.086 17.584 1.00 0.00 O ATOM 408 CB CYS A 32 7.967 1.387 15.339 1.00 0.00 C ATOM 409 SG CYS A 32 7.714 2.549 13.959 1.00 0.00 S ATOM 0 H CYS A 32 5.880 0.354 14.433 1.00 0.00 H new ATOM 0 HA CYS A 32 6.995 0.592 17.085 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.759 1.770 15.982 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.314 0.434 14.939 1.00 0.00 H new ATOM 0 HG CYS A 32 6.801 2.082 13.160 1.00 0.00 H new ATOM 414 N GLY A 33 5.100 2.921 15.854 1.00 0.00 N ATOM 415 CA GLY A 33 4.445 4.179 16.163 1.00 0.00 C ATOM 416 C GLY A 33 5.180 5.372 15.586 1.00 0.00 C ATOM 417 O GLY A 33 5.257 6.426 16.217 1.00 0.00 O ATOM 0 H GLY A 33 4.730 2.434 15.038 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.427 4.160 15.774 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.371 4.290 17.245 1.00 0.00 H new ATOM 421 N GLY A 34 5.724 5.207 14.384 1.00 0.00 N ATOM 422 CA GLY A 34 6.452 6.287 13.744 1.00 0.00 C ATOM 423 C GLY A 34 5.655 6.946 12.636 1.00 0.00 C ATOM 424 O GLY A 34 4.829 6.303 11.988 1.00 0.00 O ATOM 0 H GLY A 34 5.673 4.344 13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.717 7.035 14.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.385 5.900 13.335 1.00 0.00 H new ATOM 428 N LYS A 35 5.901 8.233 12.416 1.00 0.00 N ATOM 429 CA LYS A 35 5.201 8.980 11.379 1.00 0.00 C ATOM 430 C LYS A 35 6.187 9.592 10.389 1.00 0.00 C ATOM 431 O LYS A 35 6.103 10.778 10.066 1.00 0.00 O ATOM 432 CB LYS A 35 4.342 10.081 12.006 1.00 0.00 C ATOM 433 CG LYS A 35 3.344 10.698 11.041 1.00 0.00 C ATOM 434 CD LYS A 35 2.172 11.326 11.776 1.00 0.00 C ATOM 435 CE LYS A 35 0.883 11.202 10.979 1.00 0.00 C ATOM 436 NZ LYS A 35 0.931 11.994 9.719 1.00 0.00 N ATOM 0 H LYS A 35 6.581 8.781 12.943 1.00 0.00 H new ATOM 0 HA LYS A 35 4.556 8.286 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.803 9.668 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.995 10.865 12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.842 11.455 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.978 9.933 10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.049 10.844 12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.383 12.378 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.702 10.154 10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.045 11.540 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.023 12.051 9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.277 12.953 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.572 11.532 9.043 1.00 0.00 H new ATOM 450 N HIS A 36 7.121 8.777 9.910 1.00 0.00 N ATOM 451 CA HIS A 36 8.122 9.238 8.955 1.00 0.00 C ATOM 452 C HIS A 36 8.253 8.261 7.791 1.00 0.00 C ATOM 453 O HIS A 36 7.700 7.163 7.826 1.00 0.00 O ATOM 454 CB HIS A 36 9.475 9.411 9.647 1.00 0.00 C ATOM 455 CG HIS A 36 9.941 8.183 10.367 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.386 7.749 11.552 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.915 7.294 10.062 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.999 6.648 11.946 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.931 6.350 11.059 1.00 0.00 N ATOM 0 H HIS A 36 7.206 7.794 10.168 1.00 0.00 H new ATOM 0 HA HIS A 36 7.798 10.201 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.221 9.691 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.408 10.235 10.357 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.560 7.322 9.196 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.776 6.087 12.841 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.560 5.549 11.107 1.00 0.00 H new ATOM 467 N GLU A 37 8.989 8.669 6.762 1.00 0.00 N ATOM 468 CA GLU A 37 9.191 7.830 5.587 1.00 0.00 C ATOM 469 C GLU A 37 7.854 7.368 5.013 1.00 0.00 C ATOM 470 O GLU A 37 7.517 6.184 5.034 1.00 0.00 O ATOM 471 CB GLU A 37 10.053 6.616 5.942 1.00 0.00 C ATOM 472 CG GLU A 37 11.532 6.938 6.074 1.00 0.00 C ATOM 473 CD GLU A 37 12.418 5.751 5.753 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.202 4.673 6.345 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.329 5.900 4.911 1.00 0.00 O ATOM 0 H GLU A 37 9.455 9.575 6.718 1.00 0.00 H new ATOM 0 HA GLU A 37 9.706 8.424 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.697 6.190 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.923 5.852 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.781 7.763 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.737 7.276 7.090 1.00 0.00 H new ATOM 482 N PRO A 38 7.075 8.324 4.487 1.00 0.00 N ATOM 483 CA PRO A 38 5.763 8.040 3.897 1.00 0.00 C ATOM 484 C PRO A 38 5.872 7.270 2.585 1.00 0.00 C ATOM 485 O PRO A 38 4.897 6.685 2.115 1.00 0.00 O ATOM 486 CB PRO A 38 5.175 9.432 3.652 1.00 0.00 C ATOM 487 CG PRO A 38 6.360 10.325 3.517 1.00 0.00 C ATOM 488 CD PRO A 38 7.414 9.756 4.427 1.00 0.00 C ATOM 0 HA PRO A 38 5.152 7.412 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.561 9.450 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.537 9.743 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.710 10.355 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.112 11.348 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.417 9.915 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.385 10.218 5.414 1.00 0.00 H new ATOM 496 N ASN A 39 7.065 7.274 1.999 1.00 0.00 N ATOM 497 CA ASN A 39 7.300 6.576 0.740 1.00 0.00 C ATOM 498 C ASN A 39 7.474 5.078 0.974 1.00 0.00 C ATOM 499 O ASN A 39 7.129 4.262 0.120 1.00 0.00 O ATOM 500 CB ASN A 39 8.539 7.142 0.043 1.00 0.00 C ATOM 501 CG ASN A 39 9.041 6.238 -1.067 1.00 0.00 C ATOM 502 OD1 ASN A 39 8.590 6.330 -2.209 1.00 0.00 O ATOM 503 ND2 ASN A 39 9.980 5.360 -0.735 1.00 0.00 N ATOM 0 H ASN A 39 7.883 7.752 2.375 1.00 0.00 H new ATOM 0 HA ASN A 39 6.431 6.728 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.304 8.123 -0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.332 7.286 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.357 4.726 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.324 5.319 0.224 1.00 0.00 H new ATOM 510 N MET A 40 8.012 4.725 2.137 1.00 0.00 N ATOM 511 CA MET A 40 8.230 3.325 2.483 1.00 0.00 C ATOM 512 C MET A 40 7.101 2.801 3.365 1.00 0.00 C ATOM 513 O MET A 40 7.292 1.866 4.142 1.00 0.00 O ATOM 514 CB MET A 40 9.572 3.158 3.199 1.00 0.00 C ATOM 515 CG MET A 40 10.762 3.616 2.373 1.00 0.00 C ATOM 516 SD MET A 40 12.340 3.221 3.151 1.00 0.00 S ATOM 517 CE MET A 40 12.511 1.493 2.712 1.00 0.00 C ATOM 0 H MET A 40 8.305 5.388 2.855 1.00 0.00 H new ATOM 0 HA MET A 40 8.244 2.746 1.560 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.549 3.721 4.132 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.706 2.109 3.463 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.719 3.148 1.390 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.698 4.693 2.216 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.179 1.002 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.534 1.012 2.742 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.925 1.412 1.707 1.00 0.00 H new ATOM 527 N GLN A 41 5.926 3.410 3.239 1.00 0.00 N ATOM 528 CA GLN A 41 4.768 3.005 4.026 1.00 0.00 C ATOM 529 C GLN A 41 3.767 2.240 3.167 1.00 0.00 C ATOM 530 O GLN A 41 3.383 2.695 2.088 1.00 0.00 O ATOM 531 CB GLN A 41 4.094 4.229 4.648 1.00 0.00 C ATOM 532 CG GLN A 41 4.654 4.605 6.011 1.00 0.00 C ATOM 533 CD GLN A 41 4.291 6.019 6.421 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.140 6.780 6.885 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.024 6.378 6.250 1.00 0.00 N ATOM 0 H GLN A 41 5.751 4.185 2.600 1.00 0.00 H new ATOM 0 HA GLN A 41 5.114 2.346 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.205 5.077 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.026 4.036 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.279 3.906 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.739 4.503 5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.354 5.714 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.721 7.317 6.507 1.00 0.00 H new ATOM 544 N LEU A 42 3.347 1.076 3.651 1.00 0.00 N ATOM 545 CA LEU A 42 2.389 0.247 2.927 1.00 0.00 C ATOM 546 C LEU A 42 0.981 0.430 3.482 1.00 0.00 C ATOM 547 O LEU A 42 0.744 0.244 4.677 1.00 0.00 O ATOM 548 CB LEU A 42 2.795 -1.226 3.009 1.00 0.00 C ATOM 549 CG LEU A 42 4.292 -1.517 2.898 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.564 -3.000 3.098 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.827 -1.051 1.552 1.00 0.00 C ATOM 0 H LEU A 42 3.655 0.685 4.541 1.00 0.00 H new ATOM 0 HA LEU A 42 2.391 0.561 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.436 -1.629 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.280 -1.769 2.216 1.00 0.00 H new ATOM 0 HG LEU A 42 4.809 -0.965 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.635 -3.188 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.217 -3.304 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.035 -3.573 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.894 -1.266 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.304 -1.575 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.667 0.022 1.448 1.00 0.00 H new ATOM 563 N LEU A 43 0.048 0.794 2.609 1.00 0.00 N ATOM 564 CA LEU A 43 -1.339 1.000 3.011 1.00 0.00 C ATOM 565 C LEU A 43 -2.171 -0.252 2.756 1.00 0.00 C ATOM 566 O LEU A 43 -1.981 -0.944 1.756 1.00 0.00 O ATOM 567 CB LEU A 43 -1.938 2.188 2.256 1.00 0.00 C ATOM 568 CG LEU A 43 -2.576 3.278 3.118 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.773 2.727 3.877 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.554 3.862 4.082 1.00 0.00 C ATOM 0 H LEU A 43 0.227 0.953 1.617 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.355 1.212 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.152 2.643 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.692 1.811 1.565 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.924 4.076 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.214 3.517 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.515 2.358 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.450 1.910 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.026 4.636 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.175 3.073 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.728 4.295 3.518 1.00 0.00 H new ATOM 582 N CYS A 44 -3.097 -0.537 3.667 1.00 0.00 N ATOM 583 CA CYS A 44 -3.961 -1.704 3.541 1.00 0.00 C ATOM 584 C CYS A 44 -5.180 -1.388 2.679 1.00 0.00 C ATOM 585 O CYS A 44 -5.707 -0.276 2.716 1.00 0.00 O ATOM 586 CB CYS A 44 -4.410 -2.184 4.922 1.00 0.00 C ATOM 587 SG CYS A 44 -5.366 -3.734 4.896 1.00 0.00 S ATOM 0 H CYS A 44 -3.268 0.025 4.501 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.391 -2.496 3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.530 -2.323 5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.014 -1.405 5.387 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.037 -4.464 5.920 1.00 0.00 H new ATOM 592 N ASP A 45 -5.621 -2.373 1.905 1.00 0.00 N ATOM 593 CA ASP A 45 -6.779 -2.201 1.034 1.00 0.00 C ATOM 594 C ASP A 45 -8.047 -2.716 1.709 1.00 0.00 C ATOM 595 O ASP A 45 -8.988 -3.139 1.039 1.00 0.00 O ATOM 596 CB ASP A 45 -6.559 -2.931 -0.292 1.00 0.00 C ATOM 597 CG ASP A 45 -6.705 -2.013 -1.489 1.00 0.00 C ATOM 598 OD1 ASP A 45 -7.670 -1.220 -1.514 1.00 0.00 O ATOM 599 OD2 ASP A 45 -5.856 -2.088 -2.402 1.00 0.00 O ATOM 0 H ASP A 45 -5.195 -3.299 1.862 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.901 -1.136 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.564 -3.376 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.274 -3.749 -0.376 1.00 0.00 H new ATOM 604 N GLU A 46 -8.062 -2.676 3.037 1.00 0.00 N ATOM 605 CA GLU A 46 -9.214 -3.141 3.801 1.00 0.00 C ATOM 606 C GLU A 46 -9.513 -2.197 4.962 1.00 0.00 C ATOM 607 O GLU A 46 -10.618 -1.664 5.076 1.00 0.00 O ATOM 608 CB GLU A 46 -8.967 -4.555 4.330 1.00 0.00 C ATOM 609 CG GLU A 46 -10.214 -5.226 4.879 1.00 0.00 C ATOM 610 CD GLU A 46 -11.296 -5.395 3.830 1.00 0.00 C ATOM 611 OE1 GLU A 46 -12.101 -4.457 3.651 1.00 0.00 O ATOM 612 OE2 GLU A 46 -11.337 -6.466 3.188 1.00 0.00 O ATOM 0 H GLU A 46 -7.291 -2.327 3.606 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.077 -3.156 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.559 -5.168 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.212 -4.513 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.948 -6.203 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.605 -4.635 5.707 1.00 0.00 H new ATOM 619 N CYS A 47 -8.522 -1.995 5.824 1.00 0.00 N ATOM 620 CA CYS A 47 -8.677 -1.117 6.977 1.00 0.00 C ATOM 621 C CYS A 47 -8.003 0.230 6.729 1.00 0.00 C ATOM 622 O CYS A 47 -8.219 1.189 7.470 1.00 0.00 O ATOM 623 CB CYS A 47 -8.086 -1.773 8.227 1.00 0.00 C ATOM 624 SG CYS A 47 -6.306 -2.139 8.104 1.00 0.00 S ATOM 0 H CYS A 47 -7.602 -2.428 5.745 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.742 -0.947 7.133 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.253 -1.117 9.082 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.624 -2.700 8.426 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.062 -2.735 6.974 1.00 0.00 H new ATOM 629 N ASN A 48 -7.187 0.294 5.683 1.00 0.00 N ATOM 630 CA ASN A 48 -6.482 1.523 5.337 1.00 0.00 C ATOM 631 C ASN A 48 -5.509 1.921 6.443 1.00 0.00 C ATOM 632 O ASN A 48 -5.669 2.962 7.080 1.00 0.00 O ATOM 633 CB ASN A 48 -7.480 2.656 5.088 1.00 0.00 C ATOM 634 CG ASN A 48 -8.665 2.209 4.253 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.540 1.332 3.398 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.822 2.812 4.498 1.00 0.00 N ATOM 0 H ASN A 48 -6.997 -0.491 5.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.914 1.342 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.837 3.039 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.973 3.479 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.654 2.553 3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.879 3.534 5.216 1.00 0.00 H new ATOM 643 N VAL A 49 -4.500 1.086 6.665 1.00 0.00 N ATOM 644 CA VAL A 49 -3.500 1.351 7.692 1.00 0.00 C ATOM 645 C VAL A 49 -2.098 1.397 7.095 1.00 0.00 C ATOM 646 O VAL A 49 -1.735 0.558 6.272 1.00 0.00 O ATOM 647 CB VAL A 49 -3.538 0.283 8.802 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.085 -1.065 8.262 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.679 0.710 9.982 1.00 0.00 C ATOM 0 H VAL A 49 -4.353 0.220 6.147 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.740 2.322 8.124 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.566 0.181 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.118 -1.807 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.746 -1.373 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.065 -0.982 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.718 -0.056 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.648 0.842 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.055 1.651 10.384 1.00 0.00 H new ATOM 659 N ALA A 50 -1.313 2.383 7.517 1.00 0.00 N ATOM 660 CA ALA A 50 0.051 2.538 7.027 1.00 0.00 C ATOM 661 C ALA A 50 1.039 1.773 7.901 1.00 0.00 C ATOM 662 O ALA A 50 1.096 1.978 9.114 1.00 0.00 O ATOM 663 CB ALA A 50 0.426 4.011 6.966 1.00 0.00 C ATOM 0 H ALA A 50 -1.599 3.087 8.198 1.00 0.00 H new ATOM 0 HA ALA A 50 0.099 2.121 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.447 4.112 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.255 4.532 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.355 4.446 7.963 1.00 0.00 H new ATOM 669 N TYR A 51 1.814 0.892 7.279 1.00 0.00 N ATOM 670 CA TYR A 51 2.798 0.095 8.002 1.00 0.00 C ATOM 671 C TYR A 51 4.148 0.123 7.293 1.00 0.00 C ATOM 672 O TYR A 51 4.223 0.027 6.068 1.00 0.00 O ATOM 673 CB TYR A 51 2.312 -1.349 8.140 1.00 0.00 C ATOM 674 CG TYR A 51 1.437 -1.580 9.352 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.948 -1.452 10.637 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.099 -1.926 9.210 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.152 -1.663 11.746 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.705 -2.137 10.314 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.173 -2.005 11.580 1.00 0.00 C ATOM 680 OH TYR A 51 -0.970 -2.215 12.682 1.00 0.00 O ATOM 0 H TYR A 51 1.780 0.712 6.276 1.00 0.00 H new ATOM 0 HA TYR A 51 2.920 0.527 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.756 -1.624 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.176 -2.011 8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.985 -1.183 10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.320 -2.032 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.566 -1.561 12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.744 -2.404 10.186 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.876 -2.447 12.391 1.00 0.00 H new ATOM 690 N HIS A 52 5.216 0.256 8.074 1.00 0.00 N ATOM 691 CA HIS A 52 6.566 0.296 7.523 1.00 0.00 C ATOM 692 C HIS A 52 6.966 -1.067 6.966 1.00 0.00 C ATOM 693 O HIS A 52 6.367 -2.087 7.307 1.00 0.00 O ATOM 694 CB HIS A 52 7.564 0.735 8.595 1.00 0.00 C ATOM 695 CG HIS A 52 7.359 2.142 9.065 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.855 2.616 10.261 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.710 3.181 8.490 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.517 3.885 10.403 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.822 4.253 9.341 1.00 0.00 N ATOM 0 H HIS A 52 5.172 0.338 9.090 1.00 0.00 H new ATOM 0 HA HIS A 52 6.578 1.020 6.708 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.488 0.061 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.575 0.636 8.200 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.199 3.169 7.539 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.766 4.515 11.244 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.432 5.182 9.180 1.00 0.00 H new ATOM 707 N ILE A 53 7.980 -1.075 6.108 1.00 0.00 N ATOM 708 CA ILE A 53 8.459 -2.312 5.504 1.00 0.00 C ATOM 709 C ILE A 53 9.371 -3.074 6.461 1.00 0.00 C ATOM 710 O ILE A 53 9.661 -4.252 6.253 1.00 0.00 O ATOM 711 CB ILE A 53 9.221 -2.041 4.194 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.424 -1.133 4.456 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.294 -1.416 3.162 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.692 -1.596 3.772 1.00 0.00 C ATOM 0 H ILE A 53 8.486 -0.239 5.815 1.00 0.00 H new ATOM 0 HA ILE A 53 7.579 -2.917 5.284 1.00 0.00 H new ATOM 0 HB ILE A 53 9.585 -2.990 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.187 -0.124 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.600 -1.078 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.847 -1.230 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.467 -2.095 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.903 -0.474 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.503 -0.905 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.953 -2.593 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.534 -1.624 2.694 1.00 0.00 H new ATOM 726 N TYR A 54 9.819 -2.393 7.510 1.00 0.00 N ATOM 727 CA TYR A 54 10.698 -3.005 8.499 1.00 0.00 C ATOM 728 C TYR A 54 10.014 -3.086 9.860 1.00 0.00 C ATOM 729 O TYR A 54 10.674 -3.115 10.900 1.00 0.00 O ATOM 730 CB TYR A 54 11.999 -2.209 8.617 1.00 0.00 C ATOM 731 CG TYR A 54 11.790 -0.714 8.700 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.491 -0.101 9.911 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.889 0.085 7.568 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.298 1.264 9.991 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.699 1.452 7.640 1.00 0.00 C ATOM 736 CZ TYR A 54 11.404 2.037 8.853 1.00 0.00 C ATOM 737 OH TYR A 54 11.212 3.397 8.929 1.00 0.00 O ATOM 0 H TYR A 54 9.588 -1.417 7.697 1.00 0.00 H new ATOM 0 HA TYR A 54 10.927 -4.018 8.167 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.539 -2.541 9.504 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.630 -2.432 7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.408 -0.702 10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.118 -0.370 6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.065 1.724 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.781 2.059 6.750 1.00 0.00 H new ATOM 0 HH TYR A 54 11.528 3.819 8.103 1.00 0.00 H new ATOM 747 N CYS A 55 8.686 -3.123 9.846 1.00 0.00 N ATOM 748 CA CYS A 55 7.909 -3.201 11.078 1.00 0.00 C ATOM 749 C CYS A 55 6.779 -4.217 10.944 1.00 0.00 C ATOM 750 O CYS A 55 5.796 -4.171 11.686 1.00 0.00 O ATOM 751 CB CYS A 55 7.336 -1.828 11.432 1.00 0.00 C ATOM 752 SG CYS A 55 8.592 -0.603 11.924 1.00 0.00 S ATOM 0 H CYS A 55 8.125 -3.100 8.995 1.00 0.00 H new ATOM 0 HA CYS A 55 8.574 -3.527 11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.785 -1.443 10.573 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.619 -1.944 12.245 1.00 0.00 H new ATOM 0 HG CYS A 55 9.554 -0.592 11.049 1.00 0.00 H new ATOM 757 N LEU A 56 6.924 -5.134 9.994 1.00 0.00 N ATOM 758 CA LEU A 56 5.916 -6.163 9.762 1.00 0.00 C ATOM 759 C LEU A 56 6.226 -7.421 10.567 1.00 0.00 C ATOM 760 O LEU A 56 7.198 -7.464 11.319 1.00 0.00 O ATOM 761 CB LEU A 56 5.838 -6.502 8.273 1.00 0.00 C ATOM 762 CG LEU A 56 5.051 -5.522 7.401 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.152 -5.912 5.935 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.595 -5.468 7.841 1.00 0.00 C ATOM 0 H LEU A 56 7.730 -5.186 9.371 1.00 0.00 H new ATOM 0 HA LEU A 56 4.952 -5.773 10.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.853 -6.570 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.390 -7.490 8.169 1.00 0.00 H new ATOM 0 HG LEU A 56 5.484 -4.529 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.586 -5.204 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.197 -5.899 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.745 -6.914 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.050 -4.766 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.150 -6.459 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.541 -5.140 8.879 1.00 0.00 H new ATOM 776 N ASN A 57 5.394 -8.444 10.401 1.00 0.00 N ATOM 777 CA ASN A 57 5.581 -9.704 11.110 1.00 0.00 C ATOM 778 C ASN A 57 5.090 -10.879 10.271 1.00 0.00 C ATOM 779 O ASN A 57 3.905 -11.213 10.259 1.00 0.00 O ATOM 780 CB ASN A 57 4.840 -9.674 12.449 1.00 0.00 C ATOM 781 CG ASN A 57 5.138 -10.892 13.302 1.00 0.00 C ATOM 782 OD1 ASN A 57 4.493 -11.932 13.165 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.119 -10.768 14.188 1.00 0.00 N ATOM 0 H ASN A 57 4.584 -8.425 9.782 1.00 0.00 H new ATOM 0 HA ASN A 57 6.647 -9.833 11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.120 -8.774 12.996 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.767 -9.616 12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.365 -11.554 14.790 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.627 -9.887 14.267 1.00 0.00 H new ATOM 790 N PRO A 58 6.021 -11.522 9.551 1.00 0.00 N ATOM 791 CA PRO A 58 7.434 -11.133 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 6.794 -9.262 8.181 1.00 0.00 O ATOM 794 CB PRO A 58 8.118 -12.270 8.793 1.00 0.00 C ATOM 795 CG PRO A 58 7.054 -12.830 7.914 1.00 0.00 C ATOM 796 CD PRO A 58 5.766 -12.679 8.676 1.00 0.00 C ATOM 0 HA PRO A 58 7.813 -10.992 10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.962 -11.903 8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.507 -13.027 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.011 -12.296 6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.250 -13.877 7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.923 -12.500 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.532 -13.575 9.252 1.00 0.00 H new ATOM 804 N PRO A 59 8.887 -9.256 9.014 1.00 0.00 N ATOM 805 CA PRO A 59 9.268 -7.979 8.401 1.00 0.00 C ATOM 806 C PRO A 59 9.404 -8.082 6.886 1.00 0.00 C ATOM 807 O PRO A 59 9.137 -9.130 6.297 1.00 0.00 O ATOM 808 CB PRO A 59 10.624 -7.670 9.040 1.00 0.00 C ATOM 809 CG PRO A 59 11.171 -9.000 9.431 1.00 0.00 C ATOM 810 CD PRO A 59 9.982 -9.843 9.803 1.00 0.00 C ATOM 0 HA PRO A 59 8.517 -7.206 8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.285 -7.161 8.339 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.514 -7.017 9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.727 -9.450 8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.861 -8.907 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.139 -10.892 9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.776 -9.797 10.872 1.00 0.00 H new ATOM 818 N LEU A 60 9.821 -6.987 6.259 1.00 0.00 N ATOM 819 CA LEU A 60 9.994 -6.954 4.811 1.00 0.00 C ATOM 820 C LEU A 60 11.328 -6.316 4.436 1.00 0.00 C ATOM 821 O LEU A 60 11.585 -5.156 4.760 1.00 0.00 O ATOM 822 CB LEU A 60 8.845 -6.182 4.158 1.00 0.00 C ATOM 823 CG LEU A 60 7.776 -7.028 3.467 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.661 -6.145 2.929 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.391 -7.855 2.348 1.00 0.00 C ATOM 0 H LEU A 60 10.045 -6.111 6.731 1.00 0.00 H new ATOM 0 HA LEU A 60 9.988 -7.981 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.361 -5.575 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.266 -5.495 3.424 1.00 0.00 H new ATOM 0 HG LEU A 60 7.348 -7.710 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.909 -6.765 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.201 -5.598 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.072 -5.438 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.615 -8.451 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.846 -7.191 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.153 -8.516 2.761 1.00 0.00 H new ATOM 837 N ASP A 61 12.171 -7.080 3.751 1.00 0.00 N ATOM 838 CA ASP A 61 13.477 -6.588 3.328 1.00 0.00 C ATOM 839 C ASP A 61 13.341 -5.285 2.546 1.00 0.00 C ATOM 840 O ASP A 61 14.250 -4.455 2.538 1.00 0.00 O ATOM 841 CB ASP A 61 14.189 -7.638 2.474 1.00 0.00 C ATOM 842 CG ASP A 61 14.973 -8.631 3.310 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.491 -8.997 4.402 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.067 -9.041 2.871 1.00 0.00 O ATOM 0 H ASP A 61 11.974 -8.042 3.477 1.00 0.00 H new ATOM 0 HA ASP A 61 14.071 -6.394 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.453 -8.174 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.865 -7.139 1.779 1.00 0.00 H new ATOM 849 N LYS A 62 12.199 -5.113 1.889 1.00 0.00 N ATOM 850 CA LYS A 62 11.942 -3.911 1.103 1.00 0.00 C ATOM 851 C LYS A 62 10.459 -3.785 0.771 1.00 0.00 C ATOM 852 O LYS A 62 9.634 -4.552 1.269 1.00 0.00 O ATOM 853 CB LYS A 62 12.765 -3.935 -0.187 1.00 0.00 C ATOM 854 CG LYS A 62 12.297 -4.979 -1.187 1.00 0.00 C ATOM 855 CD LYS A 62 13.145 -4.962 -2.448 1.00 0.00 C ATOM 856 CE LYS A 62 13.330 -6.362 -3.013 1.00 0.00 C ATOM 857 NZ LYS A 62 14.079 -6.345 -4.301 1.00 0.00 N ATOM 0 H LYS A 62 11.436 -5.790 1.885 1.00 0.00 H new ATOM 0 HA LYS A 62 12.237 -3.047 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.722 -2.951 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.809 -4.124 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.342 -5.968 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.254 -4.795 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.673 -4.326 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.119 -4.526 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.865 -6.978 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.355 -6.824 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.185 -7.318 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.556 -5.778 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.019 -5.927 -4.150 1.00 0.00 H new ATOM 871 N VAL A 63 10.127 -2.814 -0.074 1.00 0.00 N ATOM 872 CA VAL A 63 8.743 -2.590 -0.474 1.00 0.00 C ATOM 873 C VAL A 63 8.325 -3.561 -1.573 1.00 0.00 C ATOM 874 O VAL A 63 9.045 -3.782 -2.547 1.00 0.00 O ATOM 875 CB VAL A 63 8.529 -1.148 -0.970 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.075 -0.927 -1.361 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.960 -0.150 0.094 1.00 0.00 C ATOM 0 H VAL A 63 10.797 -2.170 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 63 8.127 -2.758 0.409 1.00 0.00 H new ATOM 0 HB VAL A 63 9.146 -0.992 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.943 0.098 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.804 -1.619 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.435 -1.101 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.802 0.864 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.371 -0.305 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.016 -0.293 0.321 1.00 0.00 H new ATOM 887 N PRO A 64 7.132 -4.154 -1.416 1.00 0.00 N ATOM 888 CA PRO A 64 6.590 -5.110 -2.386 1.00 0.00 C ATOM 889 C PRO A 64 6.195 -4.443 -3.699 1.00 0.00 C ATOM 890 O PRO A 64 6.349 -3.233 -3.861 1.00 0.00 O ATOM 891 CB PRO A 64 5.354 -5.672 -1.678 1.00 0.00 C ATOM 892 CG PRO A 64 4.948 -4.604 -0.722 1.00 0.00 C ATOM 893 CD PRO A 64 6.221 -3.937 -0.280 1.00 0.00 C ATOM 0 HA PRO A 64 7.322 -5.869 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.557 -5.892 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.584 -6.602 -1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.278 -3.888 -1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.412 -5.025 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.071 -2.876 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.609 -4.380 0.637 1.00 0.00 H new ATOM 901 N GLU A 65 5.684 -5.240 -4.632 1.00 0.00 N ATOM 902 CA GLU A 65 5.267 -4.725 -5.931 1.00 0.00 C ATOM 903 C GLU A 65 4.267 -5.668 -6.595 1.00 0.00 C ATOM 904 O GLU A 65 4.145 -5.696 -7.819 1.00 0.00 O ATOM 905 CB GLU A 65 6.482 -4.530 -6.841 1.00 0.00 C ATOM 906 CG GLU A 65 7.188 -3.200 -6.637 1.00 0.00 C ATOM 907 CD GLU A 65 7.793 -2.658 -7.917 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.025 -2.224 -8.800 1.00 0.00 O ATOM 909 OE2 GLU A 65 9.037 -2.669 -8.035 1.00 0.00 O ATOM 0 H GLU A 65 5.549 -6.244 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 65 4.782 -3.762 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.191 -5.339 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.163 -4.607 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.479 -2.474 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.974 -3.321 -5.891 1.00 0.00 H new ATOM 916 N GLU A 66 3.556 -6.438 -5.777 1.00 0.00 N ATOM 917 CA GLU A 66 2.568 -7.382 -6.285 1.00 0.00 C ATOM 918 C GLU A 66 1.249 -6.679 -6.589 1.00 0.00 C ATOM 919 O GLU A 66 1.172 -5.451 -6.579 1.00 0.00 O ATOM 920 CB GLU A 66 2.338 -8.507 -5.274 1.00 0.00 C ATOM 921 CG GLU A 66 3.623 -9.120 -4.743 1.00 0.00 C ATOM 922 CD GLU A 66 4.427 -9.817 -5.823 1.00 0.00 C ATOM 923 OE1 GLU A 66 3.889 -10.008 -6.934 1.00 0.00 O ATOM 924 OE2 GLU A 66 5.595 -10.172 -5.557 1.00 0.00 O ATOM 0 H GLU A 66 3.646 -6.426 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 66 2.954 -7.809 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.758 -8.119 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.739 -9.288 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.233 -8.339 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.382 -9.835 -3.956 1.00 0.00 H new ATOM 931 N GLU A 67 0.213 -7.467 -6.859 1.00 0.00 N ATOM 932 CA GLU A 67 -1.103 -6.920 -7.167 1.00 0.00 C ATOM 933 C GLU A 67 -1.543 -5.926 -6.096 1.00 0.00 C ATOM 934 O GLU A 67 -1.916 -4.793 -6.400 1.00 0.00 O ATOM 935 CB GLU A 67 -2.133 -8.045 -7.289 1.00 0.00 C ATOM 936 CG GLU A 67 -2.867 -8.057 -8.619 1.00 0.00 C ATOM 937 CD GLU A 67 -4.094 -7.166 -8.616 1.00 0.00 C ATOM 938 OE1 GLU A 67 -5.032 -7.450 -7.843 1.00 0.00 O ATOM 939 OE2 GLU A 67 -4.115 -6.185 -9.388 1.00 0.00 O ATOM 0 H GLU A 67 0.260 -8.486 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.036 -6.395 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.630 -9.003 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.861 -7.949 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.188 -7.732 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.165 -9.078 -8.856 1.00 0.00 H new ATOM 946 N TYR A 68 -1.499 -6.360 -4.841 1.00 0.00 N ATOM 947 CA TYR A 68 -1.896 -5.511 -3.724 1.00 0.00 C ATOM 948 C TYR A 68 -1.181 -5.928 -2.442 1.00 0.00 C ATOM 949 O TYR A 68 -0.550 -6.983 -2.385 1.00 0.00 O ATOM 950 CB TYR A 68 -3.411 -5.576 -3.520 1.00 0.00 C ATOM 951 CG TYR A 68 -3.967 -6.981 -3.557 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.751 -7.863 -2.505 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.708 -7.428 -4.644 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.257 -9.148 -2.534 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.219 -8.711 -4.682 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.990 -9.567 -3.625 1.00 0.00 C ATOM 957 OH TYR A 68 -5.496 -10.847 -3.659 1.00 0.00 O ATOM 0 H TYR A 68 -1.192 -7.295 -4.572 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.611 -4.486 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.660 -5.121 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.899 -4.981 -4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.177 -7.538 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.888 -6.761 -5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.080 -9.820 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.794 -9.042 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.988 -10.982 -4.495 1.00 0.00 H new ATOM 967 N TRP A 69 -1.286 -5.091 -1.416 1.00 0.00 N ATOM 968 CA TRP A 69 -0.650 -5.371 -0.134 1.00 0.00 C ATOM 969 C TRP A 69 -1.641 -5.206 1.013 1.00 0.00 C ATOM 970 O TRP A 69 -2.265 -4.155 1.160 1.00 0.00 O ATOM 971 CB TRP A 69 0.551 -4.447 0.076 1.00 0.00 C ATOM 972 CG TRP A 69 1.250 -4.670 1.383 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.346 -5.455 1.603 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.900 -4.102 2.650 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.698 -5.409 2.930 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.828 -4.586 3.593 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.104 -3.230 3.079 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.777 -4.227 4.938 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.153 -2.876 4.413 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.783 -3.372 5.330 1.00 0.00 C ATOM 0 H TRP A 69 -1.805 -4.214 -1.447 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.306 -6.405 -0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.261 -4.595 -0.738 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.217 -3.411 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.860 -6.028 0.845 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.481 -5.907 3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.829 -2.840 2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.497 -4.610 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.927 -2.205 4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.719 -3.074 6.366 1.00 0.00 H new ATOM 991 N TYR A 70 -1.781 -6.250 1.823 1.00 0.00 N ATOM 992 CA TYR A 70 -2.699 -6.220 2.955 1.00 0.00 C ATOM 993 C TYR A 70 -1.948 -6.410 4.270 1.00 0.00 C ATOM 994 O TYR A 70 -1.161 -7.345 4.419 1.00 0.00 O ATOM 995 CB TYR A 70 -3.766 -7.305 2.803 1.00 0.00 C ATOM 996 CG TYR A 70 -4.870 -6.938 1.838 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.594 -6.676 0.502 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.190 -6.852 2.263 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.600 -6.339 -0.383 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.203 -6.517 1.385 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.903 -6.261 0.063 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.908 -5.927 -0.815 1.00 0.00 O ATOM 0 H TYR A 70 -1.271 -7.127 1.717 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.184 -5.244 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.290 -8.226 2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.203 -7.512 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.575 -6.737 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.428 -7.050 3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.368 -6.138 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.224 -6.456 1.732 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.766 -5.917 -0.342 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.198 -5.516 5.221 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.547 -5.583 6.524 1.00 0.00 C ATOM 1014 C CYS A 71 -1.692 -6.975 7.133 1.00 0.00 C ATOM 1015 O CYS A 71 -2.617 -7.724 6.819 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.142 -4.537 7.468 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.791 -4.967 8.111 1.00 0.00 S ATOM 0 H CYS A 71 -2.847 -4.736 5.114 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.486 -5.375 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.463 -4.393 8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.206 -3.584 6.943 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.569 -3.928 8.040 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.757 -7.330 8.026 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.758 -8.632 8.699 1.00 0.00 C ATOM 1024 C PRO A 72 -1.903 -8.767 9.698 1.00 0.00 C ATOM 1025 O PRO A 72 -2.148 -9.849 10.232 1.00 0.00 O ATOM 1026 CB PRO A 72 0.590 -8.658 9.424 1.00 0.00 C ATOM 1027 CG PRO A 72 0.936 -7.224 9.633 1.00 0.00 C ATOM 1028 CD PRO A 72 0.374 -6.487 8.449 1.00 0.00 C ATOM 0 HA PRO A 72 -0.895 -9.454 7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.519 -9.190 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.349 -9.166 8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.509 -6.851 10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.015 -7.089 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.047 -5.483 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.113 -6.379 7.655 1.00 0.00 H new ATOM 1036 N SER A 73 -2.600 -7.663 9.944 1.00 0.00 N ATOM 1037 CA SER A 73 -3.717 -7.658 10.882 1.00 0.00 C ATOM 1038 C SER A 73 -5.020 -8.024 10.176 1.00 0.00 C ATOM 1039 O SER A 73 -6.012 -8.368 10.819 1.00 0.00 O ATOM 1040 CB SER A 73 -3.850 -6.285 11.543 1.00 0.00 C ATOM 1041 OG SER A 73 -3.988 -6.406 12.948 1.00 0.00 O ATOM 0 H SER A 73 -2.412 -6.761 9.507 1.00 0.00 H new ATOM 0 HA SER A 73 -3.518 -8.405 11.651 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.973 -5.680 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.715 -5.763 11.133 1.00 0.00 H new ATOM 0 HG SER A 73 -4.069 -5.514 13.347 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.009 -7.946 8.850 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.188 -8.268 8.055 1.00 0.00 C ATOM 1049 C CYS A 74 -6.049 -9.642 7.407 1.00 0.00 C ATOM 1050 O CYS A 74 -6.929 -10.493 7.534 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.408 -7.204 6.978 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.305 -5.730 7.561 1.00 0.00 S ATOM 0 H CYS A 74 -4.196 -7.662 8.303 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.051 -8.286 8.721 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.440 -6.895 6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.961 -7.649 6.151 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.473 -4.741 7.696 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.936 -9.853 6.712 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.678 -11.123 6.045 1.00 0.00 C ATOM 1059 C LYS A 75 -4.858 -12.291 7.010 1.00 0.00 C ATOM 1060 O LYS A 75 -4.082 -12.458 7.951 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.262 -11.141 5.465 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.835 -12.502 4.944 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.575 -12.405 4.100 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.904 -12.207 2.628 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.981 -12.973 1.745 1.00 0.00 N ATOM 0 H LYS A 75 -4.197 -9.159 6.596 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.398 -11.230 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.202 -10.416 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.560 -10.819 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.661 -13.176 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.640 -12.934 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.963 -11.575 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.983 -13.312 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.931 -12.521 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.845 -11.147 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.238 -12.812 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.004 -12.656 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.056 -13.987 1.962 1.00 0.00 H new