USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=21 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= 0.775 USER MOD Set 1.2: A 47 CYS SG : rot -48:sc= 0.445 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.627 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0372 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.664 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.735 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.34 X(o=0.48,f=0.42) USER MOD Set 2.4: A 55 CYS SG : rot 50:sc= 0.415 USER MOD Set 3.1: A 13 CYS SG : rot 171:sc= 0.585 USER MOD Set 3.2: A 16 CYS SG : rot -50:sc= 0.913 USER MOD Set 3.3: A 24 CYS SG : rot 126:sc= -0.086 USER MOD Set 3.4: A 27 CYS SG : rot 139:sc= 0.651 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 0.217 (180deg=0.000569) USER MOD Single : A 25 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -75:sc= 1.14 USER MOD Single : A 35 LYS NZ :NH3+ -138:sc=-0.000421 (180deg=-0.858) USER MOD Single : A 36 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.85) USER MOD Single : A 39 ASN : amide:sc= -0.535 K(o=-0.53,f=-4.1!) USER MOD Single : A 40 MET CE :methyl -127:sc= -0.0976 (180deg=-0.23) USER MOD Single : A 41 GLN : amide:sc= -3.75! C(o=-3.8!,f=-8.2!) USER MOD Single : A 48 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.21) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 54 TYR OH : rot 172:sc= 0.876 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= -0.467 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 -10.130 11.535 11.177 1.00 0.00 N ATOM 146 CA CYS A 13 -9.418 10.767 12.192 1.00 0.00 C ATOM 147 C CYS A 13 -9.467 11.476 13.543 1.00 0.00 C ATOM 148 O CYS A 13 -9.044 12.625 13.668 1.00 0.00 O ATOM 149 CB CYS A 13 -7.964 10.549 11.770 1.00 0.00 C ATOM 150 SG CYS A 13 -7.090 9.281 12.743 1.00 0.00 S ATOM 0 HA CYS A 13 -9.909 9.799 12.291 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.941 10.264 10.718 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.426 11.493 11.857 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.934 9.038 12.201 1.00 0.00 H new ATOM 155 N ASP A 14 -9.985 10.782 14.550 1.00 0.00 N ATOM 156 CA ASP A 14 -10.088 11.344 15.892 1.00 0.00 C ATOM 157 C ASP A 14 -8.844 11.021 16.713 1.00 0.00 C ATOM 158 O ASP A 14 -8.486 11.757 17.634 1.00 0.00 O ATOM 159 CB ASP A 14 -11.334 10.807 16.598 1.00 0.00 C ATOM 160 CG ASP A 14 -12.421 11.855 16.732 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.511 12.734 15.849 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.182 11.797 17.720 1.00 0.00 O ATOM 0 H ASP A 14 -10.340 9.830 14.463 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.170 12.427 15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.723 9.953 16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.059 10.445 17.588 1.00 0.00 H new ATOM 167 N LEU A 15 -8.188 9.916 16.374 1.00 0.00 N ATOM 168 CA LEU A 15 -6.983 9.495 17.081 1.00 0.00 C ATOM 169 C LEU A 15 -5.968 10.631 17.152 1.00 0.00 C ATOM 170 O LEU A 15 -5.287 10.807 18.162 1.00 0.00 O ATOM 171 CB LEU A 15 -6.361 8.281 16.388 1.00 0.00 C ATOM 172 CG LEU A 15 -7.151 6.976 16.483 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.690 6.578 15.118 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.281 5.867 17.058 1.00 0.00 C ATOM 0 H LEU A 15 -8.470 9.296 15.615 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.264 9.221 18.098 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.221 8.522 15.334 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.370 8.114 16.811 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.996 7.133 17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.250 5.647 15.205 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.347 7.363 14.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.860 6.439 14.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.859 4.945 17.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.416 5.711 16.413 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.943 6.150 18.055 1.00 0.00 H new ATOM 186 N CYS A 16 -5.874 11.401 16.073 1.00 0.00 N ATOM 187 CA CYS A 16 -4.943 12.522 16.012 1.00 0.00 C ATOM 188 C CYS A 16 -5.684 13.830 15.751 1.00 0.00 C ATOM 189 O CYS A 16 -5.307 14.883 16.264 1.00 0.00 O ATOM 190 CB CYS A 16 -3.899 12.287 14.919 1.00 0.00 C ATOM 191 SG CYS A 16 -4.608 11.957 13.273 1.00 0.00 S ATOM 0 H CYS A 16 -6.431 11.269 15.229 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.439 12.596 16.976 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.252 13.162 14.855 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.270 11.445 15.207 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.512 11.028 13.368 1.00 0.00 H new ATOM 196 N GLY A 17 -6.742 13.755 14.948 1.00 0.00 N ATOM 197 CA GLY A 17 -7.519 14.939 14.632 1.00 0.00 C ATOM 198 C GLY A 17 -7.363 15.366 13.186 1.00 0.00 C ATOM 199 O GLY A 17 -8.260 15.985 12.614 1.00 0.00 O ATOM 0 H GLY A 17 -7.074 12.895 14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.571 14.745 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.211 15.756 15.284 1.00 0.00 H new ATOM 203 N GLY A 18 -6.220 15.036 12.593 1.00 0.00 N ATOM 204 CA GLY A 18 -5.970 15.399 11.210 1.00 0.00 C ATOM 205 C GLY A 18 -4.881 16.445 11.074 1.00 0.00 C ATOM 206 O GLY A 18 -5.139 17.566 10.632 1.00 0.00 O ATOM 0 H GLY A 18 -5.463 14.524 13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.686 14.508 10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.890 15.777 10.764 1.00 0.00 H new ATOM 210 N ASP A 19 -3.662 16.081 11.454 1.00 0.00 N ATOM 211 CA ASP A 19 -2.530 16.997 11.372 1.00 0.00 C ATOM 212 C ASP A 19 -1.212 16.230 11.325 1.00 0.00 C ATOM 213 O ASP A 19 -1.109 15.095 11.792 1.00 0.00 O ATOM 214 CB ASP A 19 -2.534 17.955 12.565 1.00 0.00 C ATOM 215 CG ASP A 19 -2.748 19.397 12.149 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.731 19.665 11.427 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.933 20.256 12.545 1.00 0.00 O ATOM 0 H ASP A 19 -3.432 15.158 11.822 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.627 17.574 10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.319 17.660 13.261 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.587 17.870 13.098 1.00 0.00 H new ATOM 222 N PRO A 20 -0.180 16.861 10.747 1.00 0.00 N ATOM 223 CA PRO A 20 1.150 16.256 10.624 1.00 0.00 C ATOM 224 C PRO A 20 1.855 16.128 11.970 1.00 0.00 C ATOM 225 O PRO A 20 2.391 15.071 12.302 1.00 0.00 O ATOM 226 CB PRO A 20 1.902 17.234 9.718 1.00 0.00 C ATOM 227 CG PRO A 20 1.216 18.541 9.918 1.00 0.00 C ATOM 228 CD PRO A 20 -0.230 18.215 10.170 1.00 0.00 C ATOM 0 HA PRO A 20 1.101 15.241 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.956 17.295 9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.859 16.920 8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.646 19.083 10.760 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.325 19.178 9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.689 18.927 10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.813 18.238 9.249 1.00 0.00 H new ATOM 236 N GLU A 21 1.850 17.210 12.742 1.00 0.00 N ATOM 237 CA GLU A 21 2.490 17.217 14.052 1.00 0.00 C ATOM 238 C GLU A 21 1.860 16.173 14.970 1.00 0.00 C ATOM 239 O GLU A 21 2.560 15.368 15.586 1.00 0.00 O ATOM 240 CB GLU A 21 2.383 18.604 14.689 1.00 0.00 C ATOM 241 CG GLU A 21 2.959 19.716 13.828 1.00 0.00 C ATOM 242 CD GLU A 21 2.541 21.095 14.300 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.691 21.379 15.507 1.00 0.00 O ATOM 244 OE2 GLU A 21 2.063 21.889 13.463 1.00 0.00 O ATOM 0 H GLU A 21 1.410 18.093 12.483 1.00 0.00 H new ATOM 0 HA GLU A 21 3.542 16.968 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.334 18.821 14.894 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.900 18.595 15.649 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.047 19.648 13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.636 19.576 12.796 1.00 0.00 H new ATOM 251 N LYS A 22 0.535 16.194 15.058 1.00 0.00 N ATOM 252 CA LYS A 22 -0.191 15.250 15.900 1.00 0.00 C ATOM 253 C LYS A 22 0.134 13.812 15.511 1.00 0.00 C ATOM 254 O LYS A 22 -0.347 13.307 14.496 1.00 0.00 O ATOM 255 CB LYS A 22 -1.698 15.491 15.788 1.00 0.00 C ATOM 256 CG LYS A 22 -2.130 16.872 16.250 1.00 0.00 C ATOM 257 CD LYS A 22 -2.994 16.799 17.497 1.00 0.00 C ATOM 258 CE LYS A 22 -2.717 17.963 18.437 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.204 19.254 17.878 1.00 0.00 N ATOM 0 H LYS A 22 -0.059 16.855 14.556 1.00 0.00 H new ATOM 0 HA LYS A 22 0.121 15.408 16.932 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.003 15.352 14.751 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.222 14.739 16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.249 17.481 16.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.683 17.367 15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.046 16.802 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.807 15.859 18.016 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.199 17.778 19.397 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.646 18.030 18.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.997 20.022 18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.725 19.444 16.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.231 19.199 17.721 1.00 0.00 H new ATOM 273 N LYS A 23 0.954 13.155 16.325 1.00 0.00 N ATOM 274 CA LYS A 23 1.342 11.773 16.068 1.00 0.00 C ATOM 275 C LYS A 23 0.130 10.848 16.119 1.00 0.00 C ATOM 276 O LYS A 23 -0.756 11.016 16.958 1.00 0.00 O ATOM 277 CB LYS A 23 2.388 11.317 17.088 1.00 0.00 C ATOM 278 CG LYS A 23 3.334 10.255 16.557 1.00 0.00 C ATOM 279 CD LYS A 23 4.121 9.597 17.678 1.00 0.00 C ATOM 280 CE LYS A 23 3.554 8.230 18.028 1.00 0.00 C ATOM 281 NZ LYS A 23 4.467 7.464 18.923 1.00 0.00 N ATOM 0 H LYS A 23 1.363 13.558 17.168 1.00 0.00 H new ATOM 0 HA LYS A 23 1.773 11.723 15.068 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.969 12.181 17.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.878 10.929 17.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.766 9.498 16.017 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.024 10.705 15.843 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.164 9.494 17.380 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.103 10.236 18.561 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.586 8.352 18.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.382 7.663 17.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.905 6.907 19.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.056 6.824 18.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.078 8.125 19.444 1.00 0.00 H new ATOM 295 N CYS A 24 0.098 9.872 15.219 1.00 0.00 N ATOM 296 CA CYS A 24 -1.005 8.920 15.162 1.00 0.00 C ATOM 297 C CYS A 24 -0.486 7.499 14.958 1.00 0.00 C ATOM 298 O CYS A 24 0.624 7.296 14.467 1.00 0.00 O ATOM 299 CB CYS A 24 -1.968 9.290 14.032 1.00 0.00 C ATOM 300 SG CYS A 24 -3.626 8.553 14.197 1.00 0.00 S ATOM 0 H CYS A 24 0.823 9.719 14.519 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.538 8.961 16.112 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.066 10.375 13.994 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.535 8.975 13.082 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.526 9.489 14.132 1.00 0.00 H new ATOM 305 N HIS A 25 -1.299 6.518 15.340 1.00 0.00 N ATOM 306 CA HIS A 25 -0.923 5.116 15.198 1.00 0.00 C ATOM 307 C HIS A 25 -1.559 4.506 13.953 1.00 0.00 C ATOM 308 O HIS A 25 -1.039 3.546 13.385 1.00 0.00 O ATOM 309 CB HIS A 25 -1.343 4.326 16.438 1.00 0.00 C ATOM 310 CG HIS A 25 -0.200 3.974 17.340 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.010 3.506 16.873 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.087 4.027 18.687 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.817 3.283 17.894 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.176 3.592 19.007 1.00 0.00 N ATOM 0 H HIS A 25 -2.221 6.668 15.750 1.00 0.00 H new ATOM 0 HA HIS A 25 0.161 5.065 15.093 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.072 4.909 17.000 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.842 3.410 16.123 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.848 4.351 19.381 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.829 2.911 17.830 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.557 3.519 19.950 1.00 0.00 H new ATOM 322 N SER A 26 -2.688 5.070 13.534 1.00 0.00 N ATOM 323 CA SER A 26 -3.398 4.578 12.359 1.00 0.00 C ATOM 324 C SER A 26 -2.865 5.235 11.089 1.00 0.00 C ATOM 325 O SER A 26 -2.450 4.554 10.150 1.00 0.00 O ATOM 326 CB SER A 26 -4.898 4.846 12.494 1.00 0.00 C ATOM 327 OG SER A 26 -5.590 4.477 11.313 1.00 0.00 O ATOM 0 H SER A 26 -3.130 5.868 13.991 1.00 0.00 H new ATOM 0 HA SER A 26 -3.233 3.503 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.296 4.288 13.342 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.065 5.903 12.702 1.00 0.00 H new ATOM 0 HG SER A 26 -6.547 4.657 11.425 1.00 0.00 H new ATOM 333 N CYS A 27 -2.879 6.563 11.066 1.00 0.00 N ATOM 334 CA CYS A 27 -2.399 7.314 9.913 1.00 0.00 C ATOM 335 C CYS A 27 -0.969 6.914 9.560 1.00 0.00 C ATOM 336 O CYS A 27 -0.549 7.026 8.408 1.00 0.00 O ATOM 337 CB CYS A 27 -2.464 8.817 10.193 1.00 0.00 C ATOM 338 SG CYS A 27 -4.148 9.445 10.491 1.00 0.00 S ATOM 0 H CYS A 27 -3.218 7.142 11.834 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.044 7.080 9.066 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.845 9.041 11.062 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.032 9.352 9.347 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.124 10.308 11.463 1.00 0.00 H new ATOM 343 N SER A 28 -0.228 6.445 10.559 1.00 0.00 N ATOM 344 CA SER A 28 1.155 6.030 10.355 1.00 0.00 C ATOM 345 C SER A 28 1.391 4.631 10.916 1.00 0.00 C ATOM 346 O SER A 28 0.448 3.931 11.286 1.00 0.00 O ATOM 347 CB SER A 28 2.110 7.025 11.017 1.00 0.00 C ATOM 348 OG SER A 28 2.158 6.831 12.419 1.00 0.00 O ATOM 0 H SER A 28 -0.562 6.343 11.517 1.00 0.00 H new ATOM 0 HA SER A 28 1.348 6.009 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.109 6.910 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.788 8.043 10.799 1.00 0.00 H new ATOM 0 HG SER A 28 1.339 7.183 12.826 1.00 0.00 H new ATOM 354 N CYS A 29 2.656 4.230 10.975 1.00 0.00 N ATOM 355 CA CYS A 29 3.019 2.915 11.490 1.00 0.00 C ATOM 356 C CYS A 29 2.393 2.676 12.861 1.00 0.00 C ATOM 357 O CYS A 29 2.540 3.491 13.772 1.00 0.00 O ATOM 358 CB CYS A 29 4.540 2.782 11.581 1.00 0.00 C ATOM 359 SG CYS A 29 5.123 1.075 11.835 1.00 0.00 S ATOM 0 H CYS A 29 3.448 4.797 10.672 1.00 0.00 H new ATOM 0 HA CYS A 29 2.636 2.163 10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.984 3.174 10.666 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.900 3.403 12.401 1.00 0.00 H new ATOM 0 HG CYS A 29 6.397 1.009 11.582 1.00 0.00 H new ATOM 364 N ARG A 30 1.696 1.553 12.999 1.00 0.00 N ATOM 365 CA ARG A 30 1.047 1.207 14.258 1.00 0.00 C ATOM 366 C ARG A 30 1.949 0.317 15.108 1.00 0.00 C ATOM 367 O ARG A 30 1.761 0.201 16.319 1.00 0.00 O ATOM 368 CB ARG A 30 -0.283 0.499 13.993 1.00 0.00 C ATOM 369 CG ARG A 30 -1.356 0.811 15.023 1.00 0.00 C ATOM 370 CD ARG A 30 -2.645 1.272 14.362 1.00 0.00 C ATOM 371 NE ARG A 30 -3.823 0.668 14.980 1.00 0.00 N ATOM 372 CZ ARG A 30 -5.023 0.649 14.410 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.203 1.198 13.217 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.046 0.080 15.035 1.00 0.00 N ATOM 0 H ARG A 30 1.566 0.867 12.255 1.00 0.00 H new ATOM 0 HA ARG A 30 0.857 2.130 14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.646 0.784 13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.114 -0.578 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.552 -0.076 15.626 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.997 1.585 15.701 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.718 2.358 14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.620 1.017 13.302 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.719 0.238 15.899 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.419 1.637 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.125 1.182 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.911 -0.343 15.953 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.967 0.066 14.597 1.00 0.00 H new ATOM 388 N VAL A 31 2.929 -0.309 14.465 1.00 0.00 N ATOM 389 CA VAL A 31 3.861 -1.188 15.161 1.00 0.00 C ATOM 390 C VAL A 31 4.801 -0.391 16.060 1.00 0.00 C ATOM 391 O VAL A 31 4.667 -0.404 17.284 1.00 0.00 O ATOM 392 CB VAL A 31 4.698 -2.018 14.169 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.697 -2.890 14.913 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.793 -2.863 13.286 1.00 0.00 C ATOM 0 H VAL A 31 3.098 -0.224 13.463 1.00 0.00 H new ATOM 0 HA VAL A 31 3.262 -1.863 15.773 1.00 0.00 H new ATOM 0 HB VAL A 31 5.256 -1.334 13.529 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.279 -3.469 14.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.366 -2.259 15.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.163 -3.568 15.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.401 -3.443 12.591 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.207 -3.540 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.122 -2.213 12.725 1.00 0.00 H new ATOM 404 N CYS A 32 5.752 0.303 15.444 1.00 0.00 N ATOM 405 CA CYS A 32 6.715 1.106 16.187 1.00 0.00 C ATOM 406 C CYS A 32 6.099 2.435 16.616 1.00 0.00 C ATOM 407 O CYS A 32 6.525 3.040 17.599 1.00 0.00 O ATOM 408 CB CYS A 32 7.962 1.361 15.337 1.00 0.00 C ATOM 409 SG CYS A 32 7.701 2.531 13.966 1.00 0.00 S ATOM 0 H CYS A 32 5.876 0.325 14.432 1.00 0.00 H new ATOM 0 HA CYS A 32 7.000 0.551 17.081 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.755 1.743 15.980 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.311 0.412 14.929 1.00 0.00 H new ATOM 0 HG CYS A 32 6.789 2.065 13.166 1.00 0.00 H new ATOM 414 N GLY A 33 5.092 2.882 15.872 1.00 0.00 N ATOM 415 CA GLY A 33 4.433 4.135 16.191 1.00 0.00 C ATOM 416 C GLY A 33 5.164 5.335 15.622 1.00 0.00 C ATOM 417 O GLY A 33 5.240 6.385 16.260 1.00 0.00 O ATOM 0 H GLY A 33 4.721 2.399 15.054 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.415 4.116 15.802 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.359 4.238 17.274 1.00 0.00 H new ATOM 421 N GLY A 34 5.706 5.181 14.418 1.00 0.00 N ATOM 422 CA GLY A 34 6.429 6.268 13.785 1.00 0.00 C ATOM 423 C GLY A 34 5.634 6.924 12.674 1.00 0.00 C ATOM 424 O GLY A 34 4.815 6.277 12.020 1.00 0.00 O ATOM 0 H GLY A 34 5.657 4.322 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.684 7.016 14.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.368 5.889 13.381 1.00 0.00 H new ATOM 428 N LYS A 35 5.872 8.214 12.459 1.00 0.00 N ATOM 429 CA LYS A 35 5.172 8.959 11.420 1.00 0.00 C ATOM 430 C LYS A 35 6.156 9.543 10.412 1.00 0.00 C ATOM 431 O LYS A 35 6.010 10.686 9.977 1.00 0.00 O ATOM 432 CB LYS A 35 4.338 10.081 12.043 1.00 0.00 C ATOM 433 CG LYS A 35 3.291 10.654 11.103 1.00 0.00 C ATOM 434 CD LYS A 35 2.144 11.293 11.869 1.00 0.00 C ATOM 435 CE LYS A 35 0.898 11.417 11.005 1.00 0.00 C ATOM 436 NZ LYS A 35 1.008 12.536 10.029 1.00 0.00 N ATOM 0 H LYS A 35 6.545 8.765 12.991 1.00 0.00 H new ATOM 0 HA LYS A 35 4.510 8.269 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.843 9.701 12.937 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.004 10.882 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.753 11.396 10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.905 9.862 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.918 10.696 12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.445 12.280 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.734 10.482 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.028 11.576 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.105 13.050 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.763 13.186 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.233 12.155 9.088 1.00 0.00 H new ATOM 450 N HIS A 36 7.159 8.751 10.044 1.00 0.00 N ATOM 451 CA HIS A 36 8.166 9.190 9.085 1.00 0.00 C ATOM 452 C HIS A 36 8.306 8.185 7.945 1.00 0.00 C ATOM 453 O HIS A 36 7.760 7.083 8.007 1.00 0.00 O ATOM 454 CB HIS A 36 9.515 9.380 9.781 1.00 0.00 C ATOM 455 CG HIS A 36 9.958 8.183 10.564 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.396 7.821 11.770 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.916 7.261 10.305 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.989 6.730 12.220 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.915 6.370 11.350 1.00 0.00 N ATOM 0 H HIS A 36 7.295 7.803 10.395 1.00 0.00 H new ATOM 0 HA HIS A 36 7.843 10.144 8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.271 9.614 9.032 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.452 10.238 10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.560 7.232 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.756 6.219 13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.530 5.561 11.440 1.00 0.00 H new ATOM 467 N GLU A 37 9.039 8.573 6.907 1.00 0.00 N ATOM 468 CA GLU A 37 9.248 7.705 5.753 1.00 0.00 C ATOM 469 C GLU A 37 7.915 7.238 5.175 1.00 0.00 C ATOM 470 O GLU A 37 7.590 6.050 5.179 1.00 0.00 O ATOM 471 CB GLU A 37 10.099 6.495 6.145 1.00 0.00 C ATOM 472 CG GLU A 37 11.563 6.829 6.373 1.00 0.00 C ATOM 473 CD GLU A 37 12.454 5.602 6.336 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.914 4.476 6.372 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.690 5.767 6.271 1.00 0.00 O ATOM 0 H GLU A 37 9.498 9.482 6.841 1.00 0.00 H new ATOM 0 HA GLU A 37 9.774 8.278 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.690 6.053 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.025 5.740 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.893 7.536 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.673 7.324 7.338 1.00 0.00 H new ATOM 482 N PRO A 38 7.123 8.194 4.667 1.00 0.00 N ATOM 483 CA PRO A 38 5.813 7.906 4.076 1.00 0.00 C ATOM 484 C PRO A 38 5.926 7.158 2.752 1.00 0.00 C ATOM 485 O PRO A 38 4.986 6.492 2.322 1.00 0.00 O ATOM 486 CB PRO A 38 5.210 9.295 3.856 1.00 0.00 C ATOM 487 CG PRO A 38 6.385 10.203 3.732 1.00 0.00 C ATOM 488 CD PRO A 38 7.447 9.630 4.629 1.00 0.00 C ATOM 0 HA PRO A 38 5.210 7.261 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.593 9.321 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.571 9.586 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.732 10.254 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.127 11.219 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.447 9.806 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.416 10.075 5.623 1.00 0.00 H new ATOM 496 N ASN A 39 7.084 7.273 2.110 1.00 0.00 N ATOM 497 CA ASN A 39 7.320 6.608 0.834 1.00 0.00 C ATOM 498 C ASN A 39 7.456 5.100 1.023 1.00 0.00 C ATOM 499 O ASN A 39 7.049 4.317 0.166 1.00 0.00 O ATOM 500 CB ASN A 39 8.580 7.165 0.169 1.00 0.00 C ATOM 501 CG ASN A 39 9.846 6.763 0.901 1.00 0.00 C ATOM 502 OD1 ASN A 39 9.917 6.834 2.128 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.854 6.336 0.148 1.00 0.00 N ATOM 0 H ASN A 39 7.873 7.820 2.453 1.00 0.00 H new ATOM 0 HA ASN A 39 6.462 6.800 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.631 6.811 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.516 8.252 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.731 6.051 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.751 6.294 -0.866 1.00 0.00 H new ATOM 510 N MET A 40 8.031 4.701 2.153 1.00 0.00 N ATOM 511 CA MET A 40 8.219 3.287 2.456 1.00 0.00 C ATOM 512 C MET A 40 7.086 2.763 3.333 1.00 0.00 C ATOM 513 O MET A 40 7.261 1.800 4.078 1.00 0.00 O ATOM 514 CB MET A 40 9.563 3.067 3.155 1.00 0.00 C ATOM 515 CG MET A 40 10.763 3.359 2.269 1.00 0.00 C ATOM 516 SD MET A 40 12.295 3.524 3.206 1.00 0.00 S ATOM 517 CE MET A 40 12.758 1.805 3.402 1.00 0.00 C ATOM 0 H MET A 40 8.374 5.336 2.873 1.00 0.00 H new ATOM 0 HA MET A 40 8.212 2.736 1.515 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.612 3.702 4.040 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.619 2.035 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.873 2.558 1.538 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.582 4.278 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.931 1.593 4.457 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.956 1.167 3.031 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.669 1.607 2.838 1.00 0.00 H new ATOM 527 N GLN A 41 5.926 3.405 3.238 1.00 0.00 N ATOM 528 CA GLN A 41 4.765 3.003 4.024 1.00 0.00 C ATOM 529 C GLN A 41 3.766 2.234 3.165 1.00 0.00 C ATOM 530 O GLN A 41 3.384 2.685 2.085 1.00 0.00 O ATOM 531 CB GLN A 41 4.089 4.230 4.638 1.00 0.00 C ATOM 532 CG GLN A 41 4.429 4.443 6.104 1.00 0.00 C ATOM 533 CD GLN A 41 3.428 5.333 6.813 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.983 5.028 7.920 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.066 6.441 6.177 1.00 0.00 N ATOM 0 H GLN A 41 5.765 4.205 2.625 1.00 0.00 H new ATOM 0 HA GLN A 41 5.109 2.348 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.381 5.116 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.009 4.129 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.470 3.477 6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.422 4.886 6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.460 6.655 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.394 7.078 6.605 1.00 0.00 H new ATOM 544 N LEU A 42 3.348 1.071 3.652 1.00 0.00 N ATOM 545 CA LEU A 42 2.393 0.238 2.929 1.00 0.00 C ATOM 546 C LEU A 42 0.983 0.420 3.482 1.00 0.00 C ATOM 547 O LEU A 42 0.742 0.219 4.673 1.00 0.00 O ATOM 548 CB LEU A 42 2.802 -1.233 3.016 1.00 0.00 C ATOM 549 CG LEU A 42 4.302 -1.519 2.942 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.570 -3.009 3.089 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.880 -0.998 1.634 1.00 0.00 C ATOM 0 H LEU A 42 3.655 0.683 4.544 1.00 0.00 H new ATOM 0 HA LEU A 42 2.396 0.548 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.421 -1.640 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.309 -1.775 2.209 1.00 0.00 H new ATOM 0 HG LEU A 42 4.792 -1.000 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.643 -3.193 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.192 -3.353 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.067 -3.550 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.949 -1.210 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.384 -1.489 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.721 0.078 1.569 1.00 0.00 H new ATOM 563 N LEU A 43 0.056 0.799 2.611 1.00 0.00 N ATOM 564 CA LEU A 43 -1.332 1.006 3.011 1.00 0.00 C ATOM 565 C LEU A 43 -2.165 -0.245 2.754 1.00 0.00 C ATOM 566 O LEU A 43 -1.976 -0.934 1.751 1.00 0.00 O ATOM 567 CB LEU A 43 -1.929 2.195 2.257 1.00 0.00 C ATOM 568 CG LEU A 43 -2.523 3.308 3.121 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.762 2.814 3.852 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.489 3.825 4.110 1.00 0.00 C ATOM 0 H LEU A 43 0.239 0.970 1.622 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.349 1.217 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.152 2.627 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.709 1.823 1.592 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.816 4.131 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.170 3.620 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.509 2.494 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.495 1.974 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.929 4.617 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.165 3.010 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.631 4.220 3.566 1.00 0.00 H new ATOM 582 N CYS A 44 -3.089 -0.532 3.664 1.00 0.00 N ATOM 583 CA CYS A 44 -3.954 -1.699 3.536 1.00 0.00 C ATOM 584 C CYS A 44 -5.172 -1.381 2.674 1.00 0.00 C ATOM 585 O CYS A 44 -5.699 -0.269 2.711 1.00 0.00 O ATOM 586 CB CYS A 44 -4.404 -2.180 4.917 1.00 0.00 C ATOM 587 SG CYS A 44 -5.364 -3.728 4.888 1.00 0.00 S ATOM 0 H CYS A 44 -3.258 0.028 4.499 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.384 -2.491 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.524 -2.322 5.545 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.006 -1.400 5.383 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.035 -4.462 5.909 1.00 0.00 H new ATOM 592 N ASP A 45 -5.614 -2.365 1.898 1.00 0.00 N ATOM 593 CA ASP A 45 -6.770 -2.191 1.027 1.00 0.00 C ATOM 594 C ASP A 45 -8.039 -2.706 1.700 1.00 0.00 C ATOM 595 O ASP A 45 -8.980 -3.129 1.029 1.00 0.00 O ATOM 596 CB ASP A 45 -6.550 -2.920 -0.300 1.00 0.00 C ATOM 597 CG ASP A 45 -6.695 -2.001 -1.496 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.035 -0.941 -1.513 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.468 -2.341 -2.416 1.00 0.00 O ATOM 0 H ASP A 45 -5.189 -3.291 1.855 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.890 -1.125 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.555 -3.365 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.266 -3.738 -0.385 1.00 0.00 H new ATOM 604 N GLU A 46 -8.056 -2.666 3.028 1.00 0.00 N ATOM 605 CA GLU A 46 -9.209 -3.130 3.791 1.00 0.00 C ATOM 606 C GLU A 46 -9.508 -2.187 4.953 1.00 0.00 C ATOM 607 O GLU A 46 -10.610 -1.648 5.062 1.00 0.00 O ATOM 608 CB GLU A 46 -8.964 -4.545 4.319 1.00 0.00 C ATOM 609 CG GLU A 46 -10.212 -5.215 4.868 1.00 0.00 C ATOM 610 CD GLU A 46 -11.296 -5.378 3.820 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.035 -6.046 2.797 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.403 -4.838 4.021 1.00 0.00 O ATOM 0 H GLU A 46 -7.285 -2.317 3.598 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.071 -3.143 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.557 -5.158 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.208 -4.505 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.948 -6.194 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.601 -4.626 5.699 1.00 0.00 H new ATOM 619 N CYS A 47 -8.520 -1.992 5.819 1.00 0.00 N ATOM 620 CA CYS A 47 -8.675 -1.116 6.973 1.00 0.00 C ATOM 621 C CYS A 47 -8.003 0.232 6.728 1.00 0.00 C ATOM 622 O CYS A 47 -8.220 1.189 7.469 1.00 0.00 O ATOM 623 CB CYS A 47 -8.083 -1.773 8.222 1.00 0.00 C ATOM 624 SG CYS A 47 -6.303 -2.139 8.097 1.00 0.00 S ATOM 0 H CYS A 47 -7.602 -2.430 5.743 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.741 -0.948 7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.249 -1.118 9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.621 -2.700 8.421 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.060 -2.733 6.966 1.00 0.00 H new ATOM 629 N ASN A 48 -7.187 0.298 5.681 1.00 0.00 N ATOM 630 CA ASN A 48 -6.483 1.528 5.337 1.00 0.00 C ATOM 631 C ASN A 48 -5.511 1.926 6.443 1.00 0.00 C ATOM 632 O ASN A 48 -5.671 2.967 7.081 1.00 0.00 O ATOM 633 CB ASN A 48 -7.482 2.660 5.089 1.00 0.00 C ATOM 634 CG ASN A 48 -8.653 2.220 4.232 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.488 1.455 3.281 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.844 2.702 4.566 1.00 0.00 N ATOM 0 H ASN A 48 -6.997 -0.486 5.056 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.914 1.348 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.853 3.029 6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.972 3.491 4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.669 2.441 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.934 3.333 5.362 1.00 0.00 H new ATOM 643 N VAL A 49 -4.501 1.091 6.665 1.00 0.00 N ATOM 644 CA VAL A 49 -3.501 1.356 7.693 1.00 0.00 C ATOM 645 C VAL A 49 -2.099 1.403 7.097 1.00 0.00 C ATOM 646 O VAL A 49 -1.737 0.567 6.269 1.00 0.00 O ATOM 647 CB VAL A 49 -3.540 0.287 8.802 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.085 -1.060 8.263 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.682 0.715 9.984 1.00 0.00 C ATOM 0 H VAL A 49 -4.353 0.225 6.147 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.741 2.327 8.126 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.569 0.184 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.119 -1.802 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.744 -1.369 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.065 -0.976 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.721 -0.051 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.651 0.848 9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.059 1.656 10.385 1.00 0.00 H new ATOM 659 N ALA A 50 -1.313 2.385 7.524 1.00 0.00 N ATOM 660 CA ALA A 50 0.051 2.540 7.035 1.00 0.00 C ATOM 661 C ALA A 50 1.038 1.770 7.905 1.00 0.00 C ATOM 662 O ALA A 50 1.096 1.968 9.119 1.00 0.00 O ATOM 663 CB ALA A 50 0.429 4.013 6.982 1.00 0.00 C ATOM 0 H ALA A 50 -1.598 3.086 8.208 1.00 0.00 H new ATOM 0 HA ALA A 50 0.097 2.128 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.450 4.114 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.251 4.539 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.359 4.443 7.981 1.00 0.00 H new ATOM 669 N TYR A 51 1.811 0.891 7.279 1.00 0.00 N ATOM 670 CA TYR A 51 2.794 0.088 7.997 1.00 0.00 C ATOM 671 C TYR A 51 4.145 0.118 7.290 1.00 0.00 C ATOM 672 O TYR A 51 4.220 0.015 6.065 1.00 0.00 O ATOM 673 CB TYR A 51 2.306 -1.356 8.127 1.00 0.00 C ATOM 674 CG TYR A 51 1.433 -1.594 9.339 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.946 -1.470 10.624 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.095 -1.941 9.198 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.152 -1.687 11.734 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.707 -2.158 10.302 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.173 -2.030 11.568 1.00 0.00 C ATOM 680 OH TYR A 51 -0.968 -2.246 12.670 1.00 0.00 O ATOM 0 H TYR A 51 1.776 0.716 6.275 1.00 0.00 H new ATOM 0 HA TYR A 51 2.917 0.515 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.748 -1.624 7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.169 -2.019 8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.983 -1.199 10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.325 -2.043 8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.567 -1.588 12.726 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.745 -2.426 10.175 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.875 -2.478 12.379 1.00 0.00 H new ATOM 690 N HIS A 52 5.211 0.261 8.070 1.00 0.00 N ATOM 691 CA HIS A 52 6.561 0.304 7.520 1.00 0.00 C ATOM 692 C HIS A 52 6.963 -1.057 6.959 1.00 0.00 C ATOM 693 O HIS A 52 6.369 -2.080 7.302 1.00 0.00 O ATOM 694 CB HIS A 52 7.559 0.741 8.593 1.00 0.00 C ATOM 695 CG HIS A 52 7.349 2.145 9.070 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.845 2.615 10.268 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.694 3.184 8.502 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.502 3.882 10.417 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.804 4.252 9.359 1.00 0.00 N ATOM 0 H HIS A 52 5.166 0.349 9.085 1.00 0.00 H new ATOM 0 HA HIS A 52 6.572 1.030 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.486 0.063 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.570 0.648 8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.180 3.175 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.750 4.509 11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.410 5.180 9.203 1.00 0.00 H new ATOM 707 N ILE A 53 7.973 -1.061 6.095 1.00 0.00 N ATOM 708 CA ILE A 53 8.453 -2.295 5.488 1.00 0.00 C ATOM 709 C ILE A 53 9.367 -3.058 6.441 1.00 0.00 C ATOM 710 O ILE A 53 9.657 -4.236 6.230 1.00 0.00 O ATOM 711 CB ILE A 53 9.213 -2.019 4.177 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.416 -1.112 4.440 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.284 -1.391 3.149 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.685 -1.580 3.763 1.00 0.00 C ATOM 0 H ILE A 53 8.474 -0.223 5.800 1.00 0.00 H new ATOM 0 HA ILE A 53 7.574 -2.901 5.269 1.00 0.00 H new ATOM 0 HB ILE A 53 9.577 -2.966 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.182 -0.104 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.588 -1.053 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.835 -1.202 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.456 -2.070 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.894 -0.451 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.496 -0.889 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.943 -2.576 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.531 -1.612 2.684 1.00 0.00 H new ATOM 726 N TYR A 54 9.816 -2.379 7.490 1.00 0.00 N ATOM 727 CA TYR A 54 10.698 -2.992 8.477 1.00 0.00 C ATOM 728 C TYR A 54 10.015 -3.081 9.838 1.00 0.00 C ATOM 729 O TYR A 54 10.675 -3.113 10.877 1.00 0.00 O ATOM 730 CB TYR A 54 11.997 -2.193 8.597 1.00 0.00 C ATOM 731 CG TYR A 54 11.783 -0.699 8.685 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.487 -0.090 9.898 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.878 0.104 7.555 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.290 1.274 9.983 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.684 1.470 7.631 1.00 0.00 C ATOM 736 CZ TYR A 54 11.389 2.050 8.847 1.00 0.00 C ATOM 737 OH TYR A 54 11.195 3.410 8.928 1.00 0.00 O ATOM 0 H TYR A 54 9.584 -1.404 7.679 1.00 0.00 H new ATOM 0 HA TYR A 54 10.930 -4.003 8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.539 -2.527 9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.629 -2.411 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.410 -0.694 10.790 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.107 -0.347 6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.060 1.731 10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.763 2.080 6.743 1.00 0.00 H new ATOM 0 HH TYR A 54 11.430 3.825 8.072 1.00 0.00 H new ATOM 747 N CYS A 55 8.687 -3.121 9.824 1.00 0.00 N ATOM 748 CA CYS A 55 7.911 -3.206 11.056 1.00 0.00 C ATOM 749 C CYS A 55 6.783 -4.225 10.918 1.00 0.00 C ATOM 750 O CYS A 55 5.800 -4.183 11.660 1.00 0.00 O ATOM 751 CB CYS A 55 7.335 -1.836 11.416 1.00 0.00 C ATOM 752 SG CYS A 55 8.587 -0.611 11.917 1.00 0.00 S ATOM 0 H CYS A 55 8.125 -3.096 8.973 1.00 0.00 H new ATOM 0 HA CYS A 55 8.577 -3.533 11.854 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.786 -1.448 10.558 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.616 -1.957 12.227 1.00 0.00 H new ATOM 0 HG CYS A 55 9.549 -0.591 11.042 1.00 0.00 H new ATOM 757 N LEU A 56 6.931 -5.138 9.966 1.00 0.00 N ATOM 758 CA LEU A 56 5.926 -6.169 9.730 1.00 0.00 C ATOM 759 C LEU A 56 6.239 -7.429 10.531 1.00 0.00 C ATOM 760 O LEU A 56 7.212 -7.472 11.283 1.00 0.00 O ATOM 761 CB LEU A 56 5.849 -6.503 8.240 1.00 0.00 C ATOM 762 CG LEU A 56 5.057 -5.524 7.372 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.158 -5.910 5.904 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.602 -5.476 7.814 1.00 0.00 C ATOM 0 H LEU A 56 7.738 -5.186 9.344 1.00 0.00 H new ATOM 0 HA LEU A 56 4.961 -5.783 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.865 -6.564 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.406 -7.493 8.133 1.00 0.00 H new ATOM 0 HG LEU A 56 5.486 -4.530 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.588 -5.202 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.203 -5.892 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.755 -6.913 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.054 -4.774 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.161 -6.468 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.548 -5.151 8.853 1.00 0.00 H new ATOM 776 N ASN A 57 5.410 -8.453 10.360 1.00 0.00 N ATOM 777 CA ASN A 57 5.600 -9.716 11.066 1.00 0.00 C ATOM 778 C ASN A 57 5.112 -10.889 10.221 1.00 0.00 C ATOM 779 O ASN A 57 3.928 -11.226 10.208 1.00 0.00 O ATOM 780 CB ASN A 57 4.859 -9.693 12.404 1.00 0.00 C ATOM 781 CG ASN A 57 5.736 -10.137 13.558 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.840 -11.328 13.851 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.372 -9.178 14.221 1.00 0.00 N ATOM 0 H ASN A 57 4.601 -8.434 9.739 1.00 0.00 H new ATOM 0 HA ASN A 57 6.666 -9.843 11.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.493 -8.684 12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.986 -10.343 12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.976 -9.416 15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.257 -8.203 13.943 1.00 0.00 H new ATOM 790 N PRO A 58 6.046 -11.528 9.500 1.00 0.00 N ATOM 791 CA PRO A 58 7.458 -11.135 9.508 1.00 0.00 C ATOM 792 C PRO A 58 7.693 -9.799 8.811 1.00 0.00 C ATOM 793 O PRO A 58 6.814 -9.260 8.138 1.00 0.00 O ATOM 794 CB PRO A 58 8.146 -12.267 8.741 1.00 0.00 C ATOM 795 CG PRO A 58 7.083 -12.827 7.860 1.00 0.00 C ATOM 796 CD PRO A 58 5.795 -12.682 8.621 1.00 0.00 C ATOM 0 HA PRO A 58 7.836 -10.997 10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.989 -11.895 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.538 -13.025 9.420 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.039 -12.290 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.282 -13.873 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.952 -12.503 7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.563 -13.580 9.193 1.00 0.00 H new ATOM 804 N PRO A 59 8.906 -9.251 8.974 1.00 0.00 N ATOM 805 CA PRO A 59 9.284 -7.971 8.366 1.00 0.00 C ATOM 806 C PRO A 59 9.423 -8.068 6.851 1.00 0.00 C ATOM 807 O PRO A 59 9.162 -9.116 6.258 1.00 0.00 O ATOM 808 CB PRO A 59 10.638 -7.660 9.008 1.00 0.00 C ATOM 809 CG PRO A 59 11.188 -8.990 9.395 1.00 0.00 C ATOM 810 CD PRO A 59 10.002 -9.838 9.763 1.00 0.00 C ATOM 0 HA PRO A 59 8.530 -7.202 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.299 -7.146 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.525 -7.011 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.746 -9.436 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.877 -8.898 10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.163 -10.886 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.795 -9.797 10.832 1.00 0.00 H new ATOM 818 N LEU A 60 9.835 -6.969 6.228 1.00 0.00 N ATOM 819 CA LEU A 60 10.009 -6.930 4.780 1.00 0.00 C ATOM 820 C LEU A 60 11.339 -6.282 4.409 1.00 0.00 C ATOM 821 O LEU A 60 11.588 -5.122 4.735 1.00 0.00 O ATOM 822 CB LEU A 60 8.856 -6.164 4.128 1.00 0.00 C ATOM 823 CG LEU A 60 7.792 -7.015 3.435 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.668 -6.138 2.906 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.411 -7.828 2.307 1.00 0.00 C ATOM 0 H LEU A 60 10.055 -6.093 6.703 1.00 0.00 H new ATOM 0 HA LEU A 60 10.010 -7.956 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.368 -5.561 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.274 -5.473 3.396 1.00 0.00 H new ATOM 0 HG LEU A 60 7.373 -7.705 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.920 -6.761 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.206 -5.600 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.071 -5.423 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.639 -8.428 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.857 -7.154 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.181 -8.485 2.712 1.00 0.00 H new ATOM 837 N ASP A 61 12.189 -7.039 3.724 1.00 0.00 N ATOM 838 CA ASP A 61 13.493 -6.538 3.305 1.00 0.00 C ATOM 839 C ASP A 61 13.349 -5.236 2.523 1.00 0.00 C ATOM 840 O ASP A 61 14.253 -4.401 2.516 1.00 0.00 O ATOM 841 CB ASP A 61 14.214 -7.583 2.451 1.00 0.00 C ATOM 842 CG ASP A 61 15.399 -8.198 3.169 1.00 0.00 C ATOM 843 OD1 ASP A 61 15.257 -8.545 4.361 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.469 -8.334 2.539 1.00 0.00 O ATOM 0 H ASP A 61 11.998 -8.002 3.447 1.00 0.00 H new ATOM 0 HA ASP A 61 14.084 -6.340 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.512 -8.370 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.554 -7.120 1.525 1.00 0.00 H new ATOM 849 N LYS A 62 12.207 -5.071 1.864 1.00 0.00 N ATOM 850 CA LYS A 62 11.943 -3.871 1.079 1.00 0.00 C ATOM 851 C LYS A 62 10.459 -3.754 0.747 1.00 0.00 C ATOM 852 O LYS A 62 9.638 -4.522 1.248 1.00 0.00 O ATOM 853 CB LYS A 62 12.766 -3.890 -0.211 1.00 0.00 C ATOM 854 CG LYS A 62 12.354 -4.986 -1.179 1.00 0.00 C ATOM 855 CD LYS A 62 13.050 -4.835 -2.521 1.00 0.00 C ATOM 856 CE LYS A 62 13.426 -6.187 -3.109 1.00 0.00 C ATOM 857 NZ LYS A 62 14.732 -6.137 -3.823 1.00 0.00 N ATOM 0 H LYS A 62 11.449 -5.754 1.858 1.00 0.00 H new ATOM 0 HA LYS A 62 12.233 -3.005 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.671 -2.924 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.819 -4.017 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.594 -5.959 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.274 -4.958 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.396 -4.305 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.947 -4.227 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.476 -6.929 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.647 -6.512 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.953 -7.077 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.677 -5.448 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.480 -5.851 -3.159 1.00 0.00 H new ATOM 871 N VAL A 63 10.122 -2.788 -0.103 1.00 0.00 N ATOM 872 CA VAL A 63 8.737 -2.572 -0.504 1.00 0.00 C ATOM 873 C VAL A 63 8.323 -3.549 -1.598 1.00 0.00 C ATOM 874 O VAL A 63 9.044 -3.772 -2.572 1.00 0.00 O ATOM 875 CB VAL A 63 8.516 -1.133 -1.006 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.061 -0.921 -1.396 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.944 -0.128 0.053 1.00 0.00 C ATOM 0 H VAL A 63 10.789 -2.143 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 63 8.122 -2.739 0.380 1.00 0.00 H new ATOM 0 HB VAL A 63 9.131 -0.977 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.924 0.101 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.792 -1.617 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.423 -1.095 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.781 0.884 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.357 -0.281 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.001 -0.266 0.279 1.00 0.00 H new ATOM 887 N PRO A 64 7.134 -4.148 -1.438 1.00 0.00 N ATOM 888 CA PRO A 64 6.596 -5.111 -2.404 1.00 0.00 C ATOM 889 C PRO A 64 6.197 -4.452 -3.719 1.00 0.00 C ATOM 890 O PRO A 64 6.410 -3.256 -3.914 1.00 0.00 O ATOM 891 CB PRO A 64 5.363 -5.676 -1.693 1.00 0.00 C ATOM 892 CG PRO A 64 4.952 -4.605 -0.741 1.00 0.00 C ATOM 893 CD PRO A 64 6.222 -3.931 -0.303 1.00 0.00 C ATOM 0 HA PRO A 64 7.331 -5.868 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.567 -5.903 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.598 -6.603 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.278 -3.895 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.419 -5.025 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.067 -2.870 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.613 -4.369 0.616 1.00 0.00 H new ATOM 901 N GLU A 65 5.616 -5.240 -4.619 1.00 0.00 N ATOM 902 CA GLU A 65 5.188 -4.731 -5.916 1.00 0.00 C ATOM 903 C GLU A 65 4.180 -5.675 -6.565 1.00 0.00 C ATOM 904 O GLU A 65 4.051 -5.715 -7.788 1.00 0.00 O ATOM 905 CB GLU A 65 6.394 -4.543 -6.839 1.00 0.00 C ATOM 906 CG GLU A 65 6.133 -3.595 -7.997 1.00 0.00 C ATOM 907 CD GLU A 65 7.145 -2.467 -8.066 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.343 -2.730 -7.826 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.741 -1.323 -8.361 1.00 0.00 O ATOM 0 H GLU A 65 5.431 -6.232 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 65 4.707 -3.766 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.233 -4.166 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.692 -5.514 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.154 -4.155 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.132 -3.175 -7.899 1.00 0.00 H new ATOM 916 N GLU A 66 3.468 -6.432 -5.736 1.00 0.00 N ATOM 917 CA GLU A 66 2.473 -7.377 -6.230 1.00 0.00 C ATOM 918 C GLU A 66 1.163 -6.665 -6.557 1.00 0.00 C ATOM 919 O GLU A 66 1.087 -5.437 -6.525 1.00 0.00 O ATOM 920 CB GLU A 66 2.224 -8.476 -5.195 1.00 0.00 C ATOM 921 CG GLU A 66 2.537 -9.873 -5.704 1.00 0.00 C ATOM 922 CD GLU A 66 2.935 -10.824 -4.592 1.00 0.00 C ATOM 923 OE1 GLU A 66 4.105 -10.770 -4.157 1.00 0.00 O ATOM 924 OE2 GLU A 66 2.079 -11.622 -4.157 1.00 0.00 O ATOM 0 H GLU A 66 3.561 -6.409 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 66 2.859 -7.829 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.831 -8.276 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.181 -8.438 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.664 -10.271 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.344 -9.817 -6.435 1.00 0.00 H new ATOM 931 N GLU A 67 0.134 -7.446 -6.872 1.00 0.00 N ATOM 932 CA GLU A 67 -1.172 -6.891 -7.206 1.00 0.00 C ATOM 933 C GLU A 67 -1.642 -5.919 -6.128 1.00 0.00 C ATOM 934 O GLU A 67 -2.134 -4.831 -6.430 1.00 0.00 O ATOM 935 CB GLU A 67 -2.198 -8.012 -7.380 1.00 0.00 C ATOM 936 CG GLU A 67 -1.936 -8.896 -8.588 1.00 0.00 C ATOM 937 CD GLU A 67 -2.620 -8.388 -9.842 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.004 -7.201 -9.870 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.771 -9.180 -10.796 1.00 0.00 O ATOM 0 H GLU A 67 0.180 -8.464 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.077 -6.346 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.203 -8.630 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.191 -7.573 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.862 -8.956 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.281 -9.908 -8.375 1.00 0.00 H new ATOM 946 N TYR A 68 -1.488 -6.319 -4.871 1.00 0.00 N ATOM 947 CA TYR A 68 -1.899 -5.486 -3.748 1.00 0.00 C ATOM 948 C TYR A 68 -1.183 -5.906 -2.467 1.00 0.00 C ATOM 949 O TYR A 68 -0.553 -6.962 -2.413 1.00 0.00 O ATOM 950 CB TYR A 68 -3.413 -5.570 -3.550 1.00 0.00 C ATOM 951 CG TYR A 68 -3.955 -6.980 -3.615 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.778 -7.863 -2.557 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.642 -7.431 -4.736 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.271 -9.152 -2.612 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.139 -8.718 -4.799 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.951 -9.575 -3.735 1.00 0.00 C ATOM 957 OH TYR A 68 -5.443 -10.859 -3.795 1.00 0.00 O ATOM 0 H TYR A 68 -1.081 -7.216 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.626 -4.455 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.669 -5.135 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.905 -4.965 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.246 -7.536 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.790 -6.764 -5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.125 -9.825 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.672 -9.052 -5.677 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.896 -10.996 -4.653 1.00 0.00 H new ATOM 967 N TRP A 69 -1.287 -5.072 -1.439 1.00 0.00 N ATOM 968 CA TRP A 69 -0.651 -5.356 -0.157 1.00 0.00 C ATOM 969 C TRP A 69 -1.641 -5.193 0.990 1.00 0.00 C ATOM 970 O TRP A 69 -2.263 -4.141 1.140 1.00 0.00 O ATOM 971 CB TRP A 69 0.551 -4.434 0.054 1.00 0.00 C ATOM 972 CG TRP A 69 1.251 -4.660 1.360 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.345 -5.448 1.578 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.902 -4.095 2.628 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.698 -5.405 2.905 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.829 -4.582 3.571 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.101 -3.223 3.059 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.779 -4.226 4.916 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.149 -2.871 4.395 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.786 -3.371 5.310 1.00 0.00 C ATOM 0 H TRP A 69 -1.805 -4.194 -1.468 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.308 -6.391 -0.171 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.260 -4.581 -0.760 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.218 -3.397 0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.857 -6.021 0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.481 -5.905 3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.826 -2.831 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.499 -4.611 5.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.921 -2.199 4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.722 -3.076 6.347 1.00 0.00 H new ATOM 991 N TYR A 70 -1.783 -6.238 1.797 1.00 0.00 N ATOM 992 CA TYR A 70 -2.700 -6.210 2.930 1.00 0.00 C ATOM 993 C TYR A 70 -1.949 -6.404 4.244 1.00 0.00 C ATOM 994 O TYR A 70 -1.162 -7.339 4.392 1.00 0.00 O ATOM 995 CB TYR A 70 -3.767 -7.295 2.776 1.00 0.00 C ATOM 996 CG TYR A 70 -4.871 -6.925 1.811 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.595 -6.667 0.474 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.191 -6.835 2.236 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.600 -6.328 -0.411 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.203 -6.498 1.358 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.902 -6.245 0.036 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.907 -5.909 -0.843 1.00 0.00 O ATOM 0 H TYR A 70 -1.275 -7.115 1.688 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.183 -5.233 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.291 -8.215 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.204 -7.504 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.577 -6.733 0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.430 -7.032 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.368 -6.129 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.224 -6.433 1.705 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.765 -5.895 -0.369 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.197 -5.511 5.197 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.546 -5.582 6.500 1.00 0.00 C ATOM 1014 C CYS A 71 -1.692 -6.974 7.106 1.00 0.00 C ATOM 1015 O CYS A 71 -2.619 -7.722 6.792 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.139 -4.536 7.446 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.787 -4.967 8.091 1.00 0.00 S ATOM 0 H CYS A 71 -2.844 -4.730 5.091 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.485 -5.376 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.458 -4.393 8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.204 -3.583 6.922 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.558 -3.922 8.044 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.757 -7.332 7.998 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.760 -8.635 8.669 1.00 0.00 C ATOM 1024 C PRO A 72 -1.903 -8.771 9.668 1.00 0.00 C ATOM 1025 O PRO A 72 -2.152 -9.853 10.199 1.00 0.00 O ATOM 1026 CB PRO A 72 0.589 -8.665 9.393 1.00 0.00 C ATOM 1027 CG PRO A 72 0.937 -7.232 9.603 1.00 0.00 C ATOM 1028 CD PRO A 72 0.376 -6.491 8.421 1.00 0.00 C ATOM 0 HA PRO A 72 -0.900 -9.455 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.518 -9.198 10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.347 -9.173 8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.511 -6.860 10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.017 -7.099 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.051 -5.487 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.115 -6.383 7.627 1.00 0.00 H new ATOM 1036 N SER A 73 -2.598 -7.665 9.919 1.00 0.00 N ATOM 1037 CA SER A 73 -3.714 -7.661 10.858 1.00 0.00 C ATOM 1038 C SER A 73 -5.018 -8.023 10.153 1.00 0.00 C ATOM 1039 O SER A 73 -6.010 -8.365 10.796 1.00 0.00 O ATOM 1040 CB SER A 73 -3.843 -6.288 11.522 1.00 0.00 C ATOM 1041 OG SER A 73 -4.455 -6.394 12.795 1.00 0.00 O ATOM 0 H SER A 73 -2.408 -6.761 9.486 1.00 0.00 H new ATOM 0 HA SER A 73 -3.516 -8.410 11.624 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.856 -5.836 11.626 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.431 -5.627 10.886 1.00 0.00 H new ATOM 0 HG SER A 73 -4.525 -5.504 13.200 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.007 -7.944 8.827 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.187 -8.262 8.032 1.00 0.00 C ATOM 1049 C CYS A 74 -6.050 -9.636 7.381 1.00 0.00 C ATOM 1050 O CYS A 74 -6.933 -10.485 7.505 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.408 -7.196 6.958 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.304 -5.723 7.545 1.00 0.00 S ATOM 0 H CYS A 74 -4.194 -7.662 8.280 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.049 -8.279 8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.440 -6.886 6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.962 -7.639 6.130 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.471 -4.735 7.683 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.938 -9.846 6.685 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.683 -11.115 6.015 1.00 0.00 C ATOM 1059 C LYS A 75 -4.863 -12.285 6.977 1.00 0.00 C ATOM 1060 O LYS A 75 -4.054 -12.489 7.883 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.267 -11.133 5.434 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.841 -12.494 4.912 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.986 -13.238 5.925 1.00 0.00 C ATOM 1064 CE LYS A 75 -0.885 -14.037 5.245 1.00 0.00 C ATOM 1065 NZ LYS A 75 0.470 -13.565 5.645 1.00 0.00 N ATOM 0 H LYS A 75 -4.199 -9.153 6.570 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.404 -11.220 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.207 -10.407 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.564 -10.812 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.725 -13.087 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.282 -12.370 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.543 -12.526 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.615 -13.908 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.992 -15.092 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.993 -13.957 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.193 -14.134 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.582 -12.565 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.583 -13.665 6.674 1.00 0.00 H new