USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 47 CYS SG : rot 22:sc= -2.81! USER MOD Set 1.2: A 50 CYS SG : rot -49:sc= 0.591 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.805 X(o=-5.6,f=-5.8) USER MOD Set 1.4: A 66 CYS SG : rot 114:sc= -2.56 USER MOD Set 2.1: A 19 CYS SG : rot 116:sc= -3.83! USER MOD Set 2.2: A 21 ASN : amide:sc= -5.56! C(o=-21!,f=-21!) USER MOD Set 2.3: A 23 CYS SG : rot -90:sc= -2.12 USER MOD Set 2.4: A 25 MET CE :methyl -155:sc= -1.39 (180deg=-2.59!) USER MOD Set 2.5: A 35 HIS :FLIP no HD1:sc= -6.21! C(o=-22!,f=-21!) USER MOD Set 2.6: A 40 CYS SG : rot 115:sc= -1.48 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -1.32 (180deg=-3.14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1) USER MOD Single : A 38 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0.041 (180deg=0.00429) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -1.05 (180deg=-2.53!) USER MOD Single : A 52 CYS SG : rot 31:sc= 1.16 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.655 2.081 9.458 1.00 0.00 N ATOM 203 CA ILE A 17 -15.975 3.293 9.900 1.00 0.00 C ATOM 204 C ILE A 17 -14.724 3.555 9.069 1.00 0.00 C ATOM 205 O ILE A 17 -13.969 2.642 8.732 1.00 0.00 O ATOM 206 CB ILE A 17 -15.582 3.207 11.386 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.427 2.221 11.575 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.780 2.795 12.228 1.00 0.00 C ATOM 209 CD1 ILE A 17 -13.897 2.175 12.991 1.00 0.00 C ATOM 0 HA ILE A 17 -16.677 4.116 9.765 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.252 4.192 11.716 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.761 1.224 11.288 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.615 2.492 10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.486 2.739 13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.576 3.531 12.113 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.138 1.820 11.899 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.081 1.455 13.051 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.532 3.162 13.275 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.696 1.874 13.669 1.00 0.00 H new ATOM 221 N PRO A 18 -14.495 4.833 8.731 1.00 0.00 N ATOM 222 CA PRO A 18 -13.334 5.246 7.937 1.00 0.00 C ATOM 223 C PRO A 18 -12.026 5.114 8.711 1.00 0.00 C ATOM 224 O PRO A 18 -12.013 5.167 9.941 1.00 0.00 O ATOM 225 CB PRO A 18 -13.624 6.716 7.624 1.00 0.00 C ATOM 226 CG PRO A 18 -14.521 7.168 8.724 1.00 0.00 C ATOM 227 CD PRO A 18 -15.352 5.973 9.098 1.00 0.00 C ATOM 0 HA PRO A 18 -13.204 4.625 7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.706 7.303 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.104 6.826 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.943 7.524 9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.152 7.995 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.594 5.968 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.298 5.956 8.556 1.00 0.00 H new ATOM 235 N CYS A 19 -10.928 4.944 7.983 1.00 0.00 N ATOM 236 CA CYS A 19 -9.615 4.804 8.600 1.00 0.00 C ATOM 237 C CYS A 19 -9.112 6.149 9.118 1.00 0.00 C ATOM 238 O CYS A 19 -9.207 7.176 8.447 1.00 0.00 O ATOM 239 CB CYS A 19 -8.615 4.226 7.596 1.00 0.00 C ATOM 240 SG CYS A 19 -6.950 3.950 8.280 1.00 0.00 S ATOM 0 H CYS A 19 -10.922 4.900 6.964 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.709 4.120 9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.002 3.280 7.218 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.539 4.903 6.745 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.679 2.679 8.263 1.00 0.00 H new ATOM 245 N PRO A 20 -8.563 6.143 10.342 1.00 0.00 N ATOM 246 CA PRO A 20 -8.033 7.353 10.978 1.00 0.00 C ATOM 247 C PRO A 20 -6.761 7.853 10.302 1.00 0.00 C ATOM 248 O PRO A 20 -6.399 9.023 10.427 1.00 0.00 O ATOM 249 CB PRO A 20 -7.736 6.901 12.409 1.00 0.00 C ATOM 250 CG PRO A 20 -7.514 5.431 12.304 1.00 0.00 C ATOM 251 CD PRO A 20 -8.416 4.955 11.199 1.00 0.00 C ATOM 0 HA PRO A 20 -8.734 8.186 10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.857 7.406 12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.567 7.129 13.077 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.471 5.209 12.079 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.751 4.932 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.977 4.119 10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.378 4.616 11.584 1.00 0.00 H new ATOM 259 N ASN A 21 -6.086 6.960 9.586 1.00 0.00 N ATOM 260 CA ASN A 21 -4.854 7.312 8.890 1.00 0.00 C ATOM 261 C ASN A 21 -5.133 8.275 7.741 1.00 0.00 C ATOM 262 O ASN A 21 -4.212 8.850 7.161 1.00 0.00 O ATOM 263 CB ASN A 21 -4.166 6.052 8.359 1.00 0.00 C ATOM 264 CG ASN A 21 -3.682 5.144 9.473 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.218 5.163 10.581 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.664 4.343 9.182 1.00 0.00 N ATOM 0 H ASN A 21 -6.371 5.987 9.473 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.193 7.807 9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.860 5.503 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.320 6.339 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.295 3.709 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.251 4.361 8.250 1.00 0.00 H new ATOM 273 N ARG A 22 -6.411 8.447 7.418 1.00 0.00 N ATOM 274 CA ARG A 22 -6.812 9.340 6.338 1.00 0.00 C ATOM 275 C ARG A 22 -6.732 8.632 4.988 1.00 0.00 C ATOM 276 O ARG A 22 -6.636 9.275 3.942 1.00 0.00 O ATOM 277 CB ARG A 22 -5.928 10.589 6.324 1.00 0.00 C ATOM 278 CG ARG A 22 -4.821 10.540 5.284 1.00 0.00 C ATOM 279 CD ARG A 22 -3.579 11.278 5.758 1.00 0.00 C ATOM 280 NE ARG A 22 -3.597 12.686 5.369 1.00 0.00 N ATOM 281 CZ ARG A 22 -3.192 13.125 4.183 1.00 0.00 C ATOM 282 NH1 ARG A 22 -2.739 12.272 3.275 1.00 0.00 N ATOM 283 NH2 ARG A 22 -3.239 14.421 3.903 1.00 0.00 N ATOM 0 H ARG A 22 -7.186 7.980 7.889 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.846 9.637 6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.552 11.463 6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.483 10.720 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.569 9.502 5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.175 10.982 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.504 11.203 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.692 10.799 5.343 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.939 13.369 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.701 11.275 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.429 12.613 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.586 15.081 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.928 14.758 2.992 1.00 0.00 H new ATOM 297 N CYS A 23 -6.771 7.305 5.019 1.00 0.00 N ATOM 298 CA CYS A 23 -6.701 6.508 3.800 1.00 0.00 C ATOM 299 C CYS A 23 -8.094 6.068 3.358 1.00 0.00 C ATOM 300 O CYS A 23 -8.960 5.750 4.173 1.00 0.00 O ATOM 301 CB CYS A 23 -5.812 5.282 4.017 1.00 0.00 C ATOM 302 SG CYS A 23 -6.699 3.823 4.650 1.00 0.00 S ATOM 0 H CYS A 23 -6.851 6.758 5.876 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.268 7.128 3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.334 5.022 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.017 5.542 4.716 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.683 3.835 5.950 1.00 0.00 H new ATOM 307 N PRO A 24 -8.316 6.048 2.035 1.00 0.00 N ATOM 308 CA PRO A 24 -9.600 5.648 1.454 1.00 0.00 C ATOM 309 C PRO A 24 -9.873 4.157 1.621 1.00 0.00 C ATOM 310 O PRO A 24 -9.955 3.418 0.640 1.00 0.00 O ATOM 311 CB PRO A 24 -9.445 6.001 -0.027 1.00 0.00 C ATOM 312 CG PRO A 24 -7.976 5.961 -0.274 1.00 0.00 C ATOM 313 CD PRO A 24 -7.329 6.415 1.005 1.00 0.00 C ATOM 0 HA PRO A 24 -10.439 6.146 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.973 5.289 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.856 6.987 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.652 4.955 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.702 6.613 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.373 5.919 1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.135 7.488 0.999 1.00 0.00 H new ATOM 321 N MET A 25 -10.013 3.722 2.869 1.00 0.00 N ATOM 322 CA MET A 25 -10.278 2.318 3.163 1.00 0.00 C ATOM 323 C MET A 25 -10.927 2.163 4.535 1.00 0.00 C ATOM 324 O MET A 25 -10.421 2.675 5.534 1.00 0.00 O ATOM 325 CB MET A 25 -8.981 1.509 3.105 1.00 0.00 C ATOM 326 CG MET A 25 -8.772 0.789 1.783 1.00 0.00 C ATOM 327 SD MET A 25 -9.373 -0.910 1.814 1.00 0.00 S ATOM 328 CE MET A 25 -8.555 -1.532 3.282 1.00 0.00 C ATOM 0 H MET A 25 -9.947 4.321 3.692 1.00 0.00 H new ATOM 0 HA MET A 25 -10.968 1.939 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.138 2.177 3.283 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.983 0.776 3.912 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.283 1.336 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.710 0.790 1.537 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.448 -2.614 3.208 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.569 -1.075 3.370 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.149 -1.286 4.162 1.00 0.00 H new ATOM 338 N LYS A 26 -12.050 1.455 4.576 1.00 0.00 N ATOM 339 CA LYS A 26 -12.769 1.232 5.825 1.00 0.00 C ATOM 340 C LYS A 26 -12.812 -0.254 6.169 1.00 0.00 C ATOM 341 O LYS A 26 -12.891 -1.105 5.283 1.00 0.00 O ATOM 342 CB LYS A 26 -14.192 1.785 5.724 1.00 0.00 C ATOM 343 CG LYS A 26 -14.281 3.103 4.975 1.00 0.00 C ATOM 344 CD LYS A 26 -15.465 3.932 5.443 1.00 0.00 C ATOM 345 CE LYS A 26 -15.545 5.257 4.701 1.00 0.00 C ATOM 346 NZ LYS A 26 -14.196 5.834 4.448 1.00 0.00 N ATOM 0 H LYS A 26 -12.483 1.025 3.758 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.238 1.756 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.824 1.050 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.592 1.920 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.360 3.668 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.371 2.910 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.387 3.371 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.380 4.118 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.061 5.111 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.139 5.963 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.274 6.866 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.568 5.613 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.802 5.427 3.576 1.00 0.00 H new ATOM 360 N LEU A 27 -12.762 -0.558 7.461 1.00 0.00 N ATOM 361 CA LEU A 27 -12.797 -1.942 7.923 1.00 0.00 C ATOM 362 C LEU A 27 -13.966 -2.168 8.877 1.00 0.00 C ATOM 363 O LEU A 27 -14.938 -2.841 8.535 1.00 0.00 O ATOM 364 CB LEU A 27 -11.482 -2.302 8.616 1.00 0.00 C ATOM 365 CG LEU A 27 -10.237 -1.566 8.119 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.276 -1.413 6.607 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.119 -0.206 8.792 1.00 0.00 C ATOM 0 H LEU A 27 -12.697 0.134 8.207 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.931 -2.586 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.592 -2.108 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.316 -3.373 8.502 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.359 -2.157 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.382 -0.887 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.313 -2.398 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.161 -0.844 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.228 0.304 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.000 0.392 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.044 -0.339 9.871 1.00 0.00 H new ATOM 379 N SER A 28 -13.865 -1.598 10.074 1.00 0.00 N ATOM 380 CA SER A 28 -14.913 -1.739 11.078 1.00 0.00 C ATOM 381 C SER A 28 -14.441 -1.218 12.432 1.00 0.00 C ATOM 382 O SER A 28 -13.480 -0.454 12.515 1.00 0.00 O ATOM 383 CB SER A 28 -15.338 -3.203 11.201 1.00 0.00 C ATOM 384 OG SER A 28 -16.717 -3.361 10.915 1.00 0.00 O ATOM 0 H SER A 28 -13.069 -1.035 10.372 1.00 0.00 H new ATOM 0 HA SER A 28 -15.770 -1.146 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.749 -3.814 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.129 -3.562 12.209 1.00 0.00 H new ATOM 0 HG SER A 28 -16.962 -4.306 10.999 1.00 0.00 H new ATOM 390 N ARG A 29 -15.126 -1.638 13.491 1.00 0.00 N ATOM 391 CA ARG A 29 -14.778 -1.215 14.842 1.00 0.00 C ATOM 392 C ARG A 29 -14.056 -2.330 15.593 1.00 0.00 C ATOM 393 O ARG A 29 -14.117 -2.406 16.820 1.00 0.00 O ATOM 394 CB ARG A 29 -16.036 -0.800 15.609 1.00 0.00 C ATOM 395 CG ARG A 29 -16.475 0.628 15.331 1.00 0.00 C ATOM 396 CD ARG A 29 -17.613 1.049 16.248 1.00 0.00 C ATOM 397 NE ARG A 29 -17.301 0.807 17.654 1.00 0.00 N ATOM 398 CZ ARG A 29 -16.411 1.515 18.342 1.00 0.00 C ATOM 399 NH1 ARG A 29 -15.750 2.504 17.756 1.00 0.00 N ATOM 400 NH2 ARG A 29 -16.182 1.235 19.618 1.00 0.00 N ATOM 0 H ARG A 29 -15.925 -2.270 13.439 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.107 -0.359 14.766 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.849 -1.478 15.350 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.854 -0.914 16.678 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.629 1.303 15.465 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.792 0.717 14.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.824 2.108 16.101 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.517 0.503 15.978 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.793 0.054 18.134 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.924 2.723 16.775 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.068 3.046 18.286 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.689 0.476 20.072 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.499 1.779 20.145 1.00 0.00 H new ATOM 414 N ARG A 30 -13.374 -3.193 14.847 1.00 0.00 N ATOM 415 CA ARG A 30 -12.642 -4.304 15.442 1.00 0.00 C ATOM 416 C ARG A 30 -11.334 -4.554 14.698 1.00 0.00 C ATOM 417 O ARG A 30 -10.307 -4.849 15.310 1.00 0.00 O ATOM 418 CB ARG A 30 -13.498 -5.572 15.429 1.00 0.00 C ATOM 419 CG ARG A 30 -14.934 -5.341 15.871 1.00 0.00 C ATOM 420 CD ARG A 30 -15.050 -5.294 17.386 1.00 0.00 C ATOM 421 NE ARG A 30 -16.396 -5.632 17.843 1.00 0.00 N ATOM 422 CZ ARG A 30 -16.917 -6.851 17.755 1.00 0.00 C ATOM 423 NH1 ARG A 30 -16.210 -7.842 17.230 1.00 0.00 N ATOM 424 NH2 ARG A 30 -18.149 -7.080 18.193 1.00 0.00 N ATOM 0 H ARG A 30 -13.313 -3.144 13.830 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.409 -4.041 16.474 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.499 -5.989 14.422 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.041 -6.316 16.082 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.300 -4.406 15.448 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.568 -6.137 15.481 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.333 -5.987 17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.787 -4.297 17.739 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.967 -4.892 18.252 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.263 -7.670 16.892 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.613 -8.777 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.696 -6.320 18.597 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.549 -8.016 18.125 1.00 0.00 H new ATOM 438 N ASP A 31 -11.379 -4.434 13.376 1.00 0.00 N ATOM 439 CA ASP A 31 -10.197 -4.646 12.548 1.00 0.00 C ATOM 440 C ASP A 31 -9.414 -3.348 12.377 1.00 0.00 C ATOM 441 O ASP A 31 -8.457 -3.286 11.604 1.00 0.00 O ATOM 442 CB ASP A 31 -10.600 -5.198 11.179 1.00 0.00 C ATOM 443 CG ASP A 31 -10.957 -6.670 11.231 1.00 0.00 C ATOM 444 OD1 ASP A 31 -10.134 -7.463 11.734 1.00 0.00 O ATOM 445 OD2 ASP A 31 -12.060 -7.030 10.769 1.00 0.00 O ATOM 0 H ASP A 31 -12.221 -4.191 12.854 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.557 -5.372 13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.452 -4.634 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.781 -5.050 10.475 1.00 0.00 H new ATOM 450 N LEU A 32 -9.827 -2.314 13.101 1.00 0.00 N ATOM 451 CA LEU A 32 -9.165 -1.016 13.028 1.00 0.00 C ATOM 452 C LEU A 32 -7.720 -1.115 13.509 1.00 0.00 C ATOM 453 O LEU A 32 -6.789 -0.648 12.852 1.00 0.00 O ATOM 454 CB LEU A 32 -9.924 0.013 13.867 1.00 0.00 C ATOM 455 CG LEU A 32 -9.861 1.459 13.373 1.00 0.00 C ATOM 456 CD1 LEU A 32 -8.437 1.987 13.448 1.00 0.00 C ATOM 457 CD2 LEU A 32 -10.396 1.561 11.952 1.00 0.00 C ATOM 0 H LEU A 32 -10.617 -2.349 13.745 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.161 -0.695 11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.970 -0.288 13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.535 -0.020 14.885 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.488 2.072 14.021 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.412 3.017 13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.089 1.951 14.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.788 1.372 12.825 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.344 2.597 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.796 0.935 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.432 1.224 11.928 1.00 0.00 H new ATOM 469 N PRO A 33 -7.527 -1.738 14.680 1.00 0.00 N ATOM 470 CA PRO A 33 -6.198 -1.915 15.273 1.00 0.00 C ATOM 471 C PRO A 33 -5.343 -2.907 14.493 1.00 0.00 C ATOM 472 O PRO A 33 -4.161 -3.088 14.787 1.00 0.00 O ATOM 473 CB PRO A 33 -6.503 -2.457 16.672 1.00 0.00 C ATOM 474 CG PRO A 33 -7.833 -3.116 16.541 1.00 0.00 C ATOM 475 CD PRO A 33 -8.591 -2.319 15.516 1.00 0.00 C ATOM 0 HA PRO A 33 -5.626 -0.987 15.276 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.741 -3.165 16.997 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.529 -1.655 17.410 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.725 -4.154 16.226 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.359 -3.125 17.495 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.261 -2.950 14.932 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.204 -1.547 15.981 1.00 0.00 H new ATOM 483 N ALA A 34 -5.946 -3.546 13.496 1.00 0.00 N ATOM 484 CA ALA A 34 -5.239 -4.518 12.672 1.00 0.00 C ATOM 485 C ALA A 34 -5.007 -3.978 11.264 1.00 0.00 C ATOM 486 O ALA A 34 -4.315 -4.599 10.457 1.00 0.00 O ATOM 487 CB ALA A 34 -6.013 -5.827 12.616 1.00 0.00 C ATOM 0 H ALA A 34 -6.923 -3.408 13.239 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.266 -4.704 13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.473 -6.543 11.997 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.123 -6.228 13.623 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.999 -5.649 12.187 1.00 0.00 H new ATOM 493 N HIS A 35 -5.590 -2.819 10.976 1.00 0.00 N ATOM 494 CA HIS A 35 -5.446 -2.196 9.665 1.00 0.00 C ATOM 495 C HIS A 35 -4.314 -1.174 9.671 1.00 0.00 C ATOM 496 O HIS A 35 -3.500 -1.129 8.747 1.00 0.00 O ATOM 497 CB HIS A 35 -6.755 -1.522 9.252 1.00 0.00 C ATOM 498 CG HIS A 35 -6.646 -0.727 7.987 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.706 0.608 7.773 1.00 0.00 N flip ATOM 500 CD2 HIS A 35 -6.452 -1.304 6.750 1.00 0.00 C flip ATOM 501 CE1 HIS A 35 -6.548 0.811 6.424 1.00 0.00 C flip ATOM 502 NE2 HIS A 35 -6.396 -0.358 5.829 1.00 0.00 N flip ATOM 0 H HIS A 35 -6.166 -2.292 11.632 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.204 -2.976 8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.523 -2.285 9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.086 -0.865 10.057 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.360 -2.364 6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.548 1.771 5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.259 -0.506 4.829 1.00 0.00 H new ATOM 510 N LEU A 36 -4.267 -0.355 10.716 1.00 0.00 N ATOM 511 CA LEU A 36 -3.234 0.667 10.841 1.00 0.00 C ATOM 512 C LEU A 36 -1.904 0.049 11.260 1.00 0.00 C ATOM 513 O LEU A 36 -0.874 0.722 11.272 1.00 0.00 O ATOM 514 CB LEU A 36 -3.660 1.728 11.858 1.00 0.00 C ATOM 515 CG LEU A 36 -5.157 2.031 11.925 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.445 3.062 13.005 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.665 2.514 10.574 1.00 0.00 C ATOM 0 H LEU A 36 -4.932 -0.379 11.489 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.103 1.138 9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.330 1.408 12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.132 2.654 11.630 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.683 1.111 12.180 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.515 3.265 13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.119 2.678 13.971 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.908 3.983 12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.732 2.725 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.133 3.422 10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.494 1.742 9.824 1.00 0.00 H new ATOM 529 N GLN A 37 -1.936 -1.235 11.601 1.00 0.00 N ATOM 530 CA GLN A 37 -0.732 -1.943 12.019 1.00 0.00 C ATOM 531 C GLN A 37 0.121 -2.326 10.814 1.00 0.00 C ATOM 532 O GLN A 37 1.268 -1.896 10.690 1.00 0.00 O ATOM 533 CB GLN A 37 -1.102 -3.196 12.815 1.00 0.00 C ATOM 534 CG GLN A 37 -0.714 -3.121 14.283 1.00 0.00 C ATOM 535 CD GLN A 37 0.773 -3.310 14.504 1.00 0.00 C ATOM 536 OE1 GLN A 37 1.432 -4.049 13.772 1.00 0.00 O ATOM 537 NE2 GLN A 37 1.311 -2.641 15.517 1.00 0.00 N ATOM 0 H GLN A 37 -2.781 -1.806 11.596 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.151 -1.275 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.177 -3.360 12.740 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.616 -4.060 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.017 -2.155 14.686 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.260 -3.884 14.838 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.727 -2.039 16.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.308 -2.729 15.714 1.00 0.00 H new ATOM 546 N HIS A 38 -0.447 -3.137 9.927 1.00 0.00 N ATOM 547 CA HIS A 38 0.261 -3.578 8.730 1.00 0.00 C ATOM 548 C HIS A 38 -0.717 -3.875 7.598 1.00 0.00 C ATOM 549 O HIS A 38 -0.419 -4.660 6.697 1.00 0.00 O ATOM 550 CB HIS A 38 1.098 -4.820 9.036 1.00 0.00 C ATOM 551 CG HIS A 38 0.289 -6.075 9.150 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.411 -7.132 8.273 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.658 -6.440 10.046 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.426 -8.091 8.623 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.086 -7.697 9.697 1.00 0.00 N ATOM 0 H HIS A 38 -1.395 -3.502 10.014 1.00 0.00 H new ATOM 0 HA HIS A 38 0.923 -2.772 8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.843 -4.948 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.641 -4.662 9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.011 -5.852 10.880 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.550 -9.037 8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.798 -8.238 10.187 1.00 0.00 H new ATOM 563 N ASP A 39 -1.885 -3.245 7.652 1.00 0.00 N ATOM 564 CA ASP A 39 -2.908 -3.442 6.631 1.00 0.00 C ATOM 565 C ASP A 39 -3.414 -2.103 6.103 1.00 0.00 C ATOM 566 O ASP A 39 -4.448 -2.037 5.438 1.00 0.00 O ATOM 567 CB ASP A 39 -4.073 -4.255 7.196 1.00 0.00 C ATOM 568 CG ASP A 39 -4.158 -5.643 6.592 1.00 0.00 C ATOM 569 OD1 ASP A 39 -4.385 -5.744 5.368 1.00 0.00 O ATOM 570 OD2 ASP A 39 -3.998 -6.628 7.343 1.00 0.00 O ATOM 0 H ASP A 39 -2.147 -2.594 8.392 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.459 -3.992 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.963 -4.339 8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.007 -3.724 7.011 1.00 0.00 H new ATOM 575 N CYS A 40 -2.679 -1.038 6.404 1.00 0.00 N ATOM 576 CA CYS A 40 -3.053 0.300 5.962 1.00 0.00 C ATOM 577 C CYS A 40 -2.074 0.820 4.914 1.00 0.00 C ATOM 578 O CYS A 40 -0.855 0.741 5.072 1.00 0.00 O ATOM 579 CB CYS A 40 -3.098 1.259 7.154 1.00 0.00 C ATOM 580 SG CYS A 40 -3.614 2.952 6.725 1.00 0.00 S ATOM 0 H CYS A 40 -1.820 -1.076 6.953 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.044 0.243 5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.783 0.860 7.902 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.111 1.297 7.614 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.745 3.221 7.306 1.00 0.00 H new ATOM 585 N PRO A 41 -2.618 1.365 3.815 1.00 0.00 N ATOM 586 CA PRO A 41 -1.811 1.909 2.719 1.00 0.00 C ATOM 587 C PRO A 41 -1.085 3.191 3.115 1.00 0.00 C ATOM 588 O PRO A 41 0.109 3.345 2.857 1.00 0.00 O ATOM 589 CB PRO A 41 -2.844 2.195 1.627 1.00 0.00 C ATOM 590 CG PRO A 41 -4.125 2.397 2.360 1.00 0.00 C ATOM 591 CD PRO A 41 -4.062 1.492 3.559 1.00 0.00 C ATOM 0 HA PRO A 41 -1.024 1.220 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.575 3.079 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.917 1.365 0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.242 3.438 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.979 2.150 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.585 1.920 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.521 0.524 3.357 1.00 0.00 H new ATOM 599 N LYS A 42 -1.813 4.107 3.744 1.00 0.00 N ATOM 600 CA LYS A 42 -1.238 5.375 4.177 1.00 0.00 C ATOM 601 C LYS A 42 -0.612 5.244 5.562 1.00 0.00 C ATOM 602 O LYS A 42 -0.401 6.239 6.255 1.00 0.00 O ATOM 603 CB LYS A 42 -2.312 6.466 4.193 1.00 0.00 C ATOM 604 CG LYS A 42 -3.135 6.528 2.918 1.00 0.00 C ATOM 605 CD LYS A 42 -2.586 7.561 1.949 1.00 0.00 C ATOM 606 CE LYS A 42 -3.679 8.119 1.050 1.00 0.00 C ATOM 607 NZ LYS A 42 -4.306 9.338 1.630 1.00 0.00 N ATOM 0 H LYS A 42 -2.802 3.995 3.965 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.457 5.652 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.979 6.295 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.834 7.432 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.142 5.548 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.169 6.771 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.122 8.374 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.806 7.109 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.259 8.357 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.443 7.358 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.783 9.874 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.001 9.061 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.572 9.932 2.066 1.00 0.00 H new ATOM 621 N ARG A 43 -0.315 4.010 5.957 1.00 0.00 N ATOM 622 CA ARG A 43 0.288 3.750 7.259 1.00 0.00 C ATOM 623 C ARG A 43 1.454 4.699 7.518 1.00 0.00 C ATOM 624 O ARG A 43 1.842 4.924 8.664 1.00 0.00 O ATOM 625 CB ARG A 43 0.768 2.299 7.341 1.00 0.00 C ATOM 626 CG ARG A 43 1.546 1.846 6.117 1.00 0.00 C ATOM 627 CD ARG A 43 1.803 0.347 6.144 1.00 0.00 C ATOM 628 NE ARG A 43 3.085 0.022 6.764 1.00 0.00 N ATOM 629 CZ ARG A 43 3.254 -0.115 8.074 1.00 0.00 C ATOM 630 NH1 ARG A 43 2.227 0.043 8.898 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.451 -0.411 8.563 1.00 0.00 N ATOM 0 H ARG A 43 -0.482 3.175 5.395 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.471 3.919 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.396 2.182 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.095 1.647 7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.991 2.105 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.496 2.378 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.000 -0.149 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.784 -0.042 5.126 1.00 0.00 H new ATOM 0 HE ARG A 43 3.895 -0.107 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.305 0.270 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.359 -0.063 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.243 -0.534 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.579 -0.516 9.569 1.00 0.00 H new ATOM 645 N ARG A 44 2.010 5.251 6.444 1.00 0.00 N ATOM 646 CA ARG A 44 3.133 6.174 6.555 1.00 0.00 C ATOM 647 C ARG A 44 4.347 5.482 7.168 1.00 0.00 C ATOM 648 O ARG A 44 4.909 5.952 8.159 1.00 0.00 O ATOM 649 CB ARG A 44 2.743 7.387 7.401 1.00 0.00 C ATOM 650 CG ARG A 44 2.289 8.582 6.579 1.00 0.00 C ATOM 651 CD ARG A 44 0.780 8.587 6.391 1.00 0.00 C ATOM 652 NE ARG A 44 0.242 9.943 6.315 1.00 0.00 N ATOM 653 CZ ARG A 44 0.285 10.690 5.217 1.00 0.00 C ATOM 654 NH1 ARG A 44 0.836 10.214 4.109 1.00 0.00 N ATOM 655 NH2 ARG A 44 -0.226 11.915 5.226 1.00 0.00 N ATOM 0 H ARG A 44 1.701 5.075 5.488 1.00 0.00 H new ATOM 0 HA ARG A 44 3.395 6.509 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.943 7.101 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.595 7.681 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.598 9.503 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.778 8.562 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.526 8.045 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.310 8.056 7.219 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.190 10.338 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.228 9.272 4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.868 10.789 3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.652 12.284 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.193 12.488 4.383 1.00 0.00 H new ATOM 669 N LEU A 45 4.747 4.363 6.574 1.00 0.00 N ATOM 670 CA LEU A 45 5.894 3.605 7.061 1.00 0.00 C ATOM 671 C LEU A 45 6.674 2.992 5.903 1.00 0.00 C ATOM 672 O LEU A 45 6.253 1.996 5.315 1.00 0.00 O ATOM 673 CB LEU A 45 5.433 2.505 8.020 1.00 0.00 C ATOM 674 CG LEU A 45 5.348 2.893 9.496 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.265 2.089 10.198 1.00 0.00 C ATOM 676 CD2 LEU A 45 6.692 2.690 10.179 1.00 0.00 C ATOM 0 H LEU A 45 4.294 3.960 5.754 1.00 0.00 H new ATOM 0 HA LEU A 45 6.552 4.291 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.450 2.159 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.115 1.660 7.926 1.00 0.00 H new ATOM 0 HG LEU A 45 5.086 3.949 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.219 2.379 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.303 2.285 9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.496 1.026 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.613 2.971 11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.983 1.642 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.445 3.311 9.693 1.00 0.00 H new ATOM 688 N LYS A 46 7.814 3.593 5.581 1.00 0.00 N ATOM 689 CA LYS A 46 8.657 3.106 4.495 1.00 0.00 C ATOM 690 C LYS A 46 10.039 2.718 5.011 1.00 0.00 C ATOM 691 O LYS A 46 10.461 3.162 6.079 1.00 0.00 O ATOM 692 CB LYS A 46 8.788 4.173 3.406 1.00 0.00 C ATOM 693 CG LYS A 46 9.421 5.465 3.893 1.00 0.00 C ATOM 694 CD LYS A 46 9.884 6.330 2.733 1.00 0.00 C ATOM 695 CE LYS A 46 8.951 6.208 1.539 1.00 0.00 C ATOM 696 NZ LYS A 46 7.539 6.508 1.905 1.00 0.00 N ATOM 0 H LYS A 46 8.176 4.419 6.057 1.00 0.00 H new ATOM 0 HA LYS A 46 8.185 2.220 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.385 3.772 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.799 4.392 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.702 6.019 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.269 5.235 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.934 7.371 3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.892 6.037 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.275 6.891 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.014 5.199 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.961 5.651 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.497 6.824 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.172 7.259 1.286 1.00 0.00 H new ATOM 710 N CYS A 47 10.739 1.888 4.245 1.00 0.00 N ATOM 711 CA CYS A 47 12.074 1.441 4.624 1.00 0.00 C ATOM 712 C CYS A 47 12.996 2.631 4.873 1.00 0.00 C ATOM 713 O CYS A 47 12.958 3.621 4.143 1.00 0.00 O ATOM 714 CB CYS A 47 12.663 0.545 3.532 1.00 0.00 C ATOM 715 SG CYS A 47 14.357 -0.030 3.876 1.00 0.00 S ATOM 0 H CYS A 47 10.404 1.511 3.358 1.00 0.00 H new ATOM 0 HA CYS A 47 11.990 0.869 5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.016 -0.322 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.660 1.091 2.588 1.00 0.00 H new ATOM 0 HG CYS A 47 14.586 0.036 5.154 1.00 0.00 H new ATOM 720 N GLU A 48 13.824 2.525 5.908 1.00 0.00 N ATOM 721 CA GLU A 48 14.755 3.593 6.253 1.00 0.00 C ATOM 722 C GLU A 48 16.028 3.495 5.418 1.00 0.00 C ATOM 723 O GLU A 48 17.063 4.059 5.775 1.00 0.00 O ATOM 724 CB GLU A 48 15.103 3.534 7.742 1.00 0.00 C ATOM 725 CG GLU A 48 13.928 3.154 8.628 1.00 0.00 C ATOM 726 CD GLU A 48 12.861 4.230 8.675 1.00 0.00 C ATOM 727 OE1 GLU A 48 12.172 4.427 7.652 1.00 0.00 O ATOM 728 OE2 GLU A 48 12.715 4.875 9.735 1.00 0.00 O ATOM 0 H GLU A 48 13.869 1.711 6.521 1.00 0.00 H new ATOM 0 HA GLU A 48 14.272 4.546 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.907 2.813 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.484 4.506 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.487 2.226 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.288 2.960 9.638 1.00 0.00 H new ATOM 735 N PHE A 49 15.944 2.776 4.304 1.00 0.00 N ATOM 736 CA PHE A 49 17.089 2.602 3.417 1.00 0.00 C ATOM 737 C PHE A 49 16.719 2.945 1.977 1.00 0.00 C ATOM 738 O PHE A 49 17.170 3.953 1.431 1.00 0.00 O ATOM 739 CB PHE A 49 17.608 1.165 3.494 1.00 0.00 C ATOM 740 CG PHE A 49 17.546 0.578 4.876 1.00 0.00 C ATOM 741 CD1 PHE A 49 18.018 1.290 5.966 1.00 0.00 C ATOM 742 CD2 PHE A 49 17.015 -0.684 5.083 1.00 0.00 C ATOM 743 CE1 PHE A 49 17.963 0.752 7.238 1.00 0.00 C ATOM 744 CE2 PHE A 49 16.957 -1.227 6.353 1.00 0.00 C ATOM 745 CZ PHE A 49 17.431 -0.507 7.432 1.00 0.00 C ATOM 0 H PHE A 49 15.095 2.304 3.993 1.00 0.00 H new ATOM 0 HA PHE A 49 17.876 3.282 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.026 0.540 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 49 18.640 1.141 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 49 18.434 2.276 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 49 16.642 -1.251 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.336 1.316 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 49 16.542 -2.213 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.386 -0.928 8.426 1.00 0.00 H new ATOM 755 N CYS A 50 15.895 2.100 1.367 1.00 0.00 N ATOM 756 CA CYS A 50 15.464 2.310 -0.009 1.00 0.00 C ATOM 757 C CYS A 50 14.264 3.252 -0.065 1.00 0.00 C ATOM 758 O CYS A 50 13.692 3.483 -1.130 1.00 0.00 O ATOM 759 CB CYS A 50 15.109 0.974 -0.665 1.00 0.00 C ATOM 760 SG CYS A 50 13.881 -0.004 0.258 1.00 0.00 S ATOM 0 H CYS A 50 15.512 1.262 1.805 1.00 0.00 H new ATOM 0 HA CYS A 50 16.289 2.767 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.727 1.164 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.018 0.383 -0.777 1.00 0.00 H new ATOM 0 HG CYS A 50 14.229 -0.068 1.509 1.00 0.00 H new ATOM 765 N GLY A 51 13.888 3.792 1.090 1.00 0.00 N ATOM 766 CA GLY A 51 12.759 4.702 1.151 1.00 0.00 C ATOM 767 C GLY A 51 11.631 4.289 0.227 1.00 0.00 C ATOM 768 O GLY A 51 11.265 5.029 -0.687 1.00 0.00 O ATOM 0 H GLY A 51 14.345 3.616 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.388 4.747 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.091 5.706 0.888 1.00 0.00 H new ATOM 772 N CYS A 52 11.080 3.103 0.462 1.00 0.00 N ATOM 773 CA CYS A 52 9.989 2.591 -0.359 1.00 0.00 C ATOM 774 C CYS A 52 8.831 2.113 0.513 1.00 0.00 C ATOM 775 O CYS A 52 8.985 1.195 1.318 1.00 0.00 O ATOM 776 CB CYS A 52 10.482 1.446 -1.244 1.00 0.00 C ATOM 777 SG CYS A 52 11.687 1.947 -2.496 1.00 0.00 S ATOM 0 H CYS A 52 11.371 2.478 1.214 1.00 0.00 H new ATOM 0 HA CYS A 52 9.633 3.403 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.929 0.679 -0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.626 0.991 -1.741 1.00 0.00 H new ATOM 0 HG CYS A 52 12.381 2.953 -2.052 1.00 0.00 H new ATOM 783 N ASP A 53 7.674 2.744 0.347 1.00 0.00 N ATOM 784 CA ASP A 53 6.490 2.384 1.119 1.00 0.00 C ATOM 785 C ASP A 53 6.449 0.882 1.383 1.00 0.00 C ATOM 786 O ASP A 53 6.736 0.078 0.496 1.00 0.00 O ATOM 787 CB ASP A 53 5.223 2.821 0.383 1.00 0.00 C ATOM 788 CG ASP A 53 5.266 2.482 -1.094 1.00 0.00 C ATOM 789 OD1 ASP A 53 5.310 1.279 -1.426 1.00 0.00 O ATOM 790 OD2 ASP A 53 5.257 3.420 -1.919 1.00 0.00 O ATOM 0 H ASP A 53 7.530 3.507 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 53 6.540 2.901 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.357 2.340 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.089 3.896 0.502 1.00 0.00 H new ATOM 795 N PHE A 54 6.091 0.511 2.607 1.00 0.00 N ATOM 796 CA PHE A 54 6.014 -0.895 2.988 1.00 0.00 C ATOM 797 C PHE A 54 4.930 -1.114 4.040 1.00 0.00 C ATOM 798 O PHE A 54 4.208 -0.187 4.406 1.00 0.00 O ATOM 799 CB PHE A 54 7.364 -1.375 3.523 1.00 0.00 C ATOM 800 CG PHE A 54 8.289 -1.878 2.452 1.00 0.00 C ATOM 801 CD1 PHE A 54 7.896 -2.903 1.605 1.00 0.00 C ATOM 802 CD2 PHE A 54 9.549 -1.327 2.290 1.00 0.00 C ATOM 803 CE1 PHE A 54 8.745 -3.369 0.619 1.00 0.00 C ATOM 804 CE2 PHE A 54 10.403 -1.789 1.306 1.00 0.00 C ATOM 805 CZ PHE A 54 10.000 -2.810 0.468 1.00 0.00 C ATOM 0 H PHE A 54 5.849 1.164 3.353 1.00 0.00 H new ATOM 0 HA PHE A 54 5.757 -1.473 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.848 -0.555 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.196 -2.170 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.916 -3.342 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.869 -0.526 2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.428 -4.169 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.384 -1.352 1.193 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.664 -3.171 -0.304 1.00 0.00 H new ATOM 815 N SER A 55 4.822 -2.349 4.520 1.00 0.00 N ATOM 816 CA SER A 55 3.824 -2.693 5.526 1.00 0.00 C ATOM 817 C SER A 55 4.471 -2.861 6.898 1.00 0.00 C ATOM 818 O SER A 55 5.674 -2.659 7.058 1.00 0.00 O ATOM 819 CB SER A 55 3.095 -3.979 5.133 1.00 0.00 C ATOM 820 OG SER A 55 3.033 -4.120 3.724 1.00 0.00 O ATOM 0 H SER A 55 5.413 -3.128 4.229 1.00 0.00 H new ATOM 0 HA SER A 55 3.103 -1.877 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.608 -4.838 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.086 -3.969 5.545 1.00 0.00 H new ATOM 0 HG SER A 55 2.564 -4.950 3.499 1.00 0.00 H new ATOM 826 N GLY A 56 3.662 -3.232 7.886 1.00 0.00 N ATOM 827 CA GLY A 56 4.172 -3.421 9.231 1.00 0.00 C ATOM 828 C GLY A 56 5.103 -4.613 9.336 1.00 0.00 C ATOM 829 O GLY A 56 6.322 -4.465 9.259 1.00 0.00 O ATOM 0 H GLY A 56 2.663 -3.405 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.702 -2.522 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.336 -3.555 9.918 1.00 0.00 H new ATOM 833 N GLU A 57 4.527 -5.798 9.515 1.00 0.00 N ATOM 834 CA GLU A 57 5.314 -7.019 9.634 1.00 0.00 C ATOM 835 C GLU A 57 6.387 -7.082 8.551 1.00 0.00 C ATOM 836 O GLU A 57 7.537 -7.429 8.820 1.00 0.00 O ATOM 837 CB GLU A 57 4.407 -8.248 9.541 1.00 0.00 C ATOM 838 CG GLU A 57 3.014 -8.021 10.103 1.00 0.00 C ATOM 839 CD GLU A 57 2.337 -9.311 10.523 1.00 0.00 C ATOM 840 OE1 GLU A 57 2.537 -9.737 11.680 1.00 0.00 O ATOM 841 OE2 GLU A 57 1.606 -9.894 9.695 1.00 0.00 O ATOM 0 H GLU A 57 3.519 -5.938 9.581 1.00 0.00 H new ATOM 0 HA GLU A 57 5.805 -7.011 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.324 -8.549 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.875 -9.075 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.077 -7.352 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.401 -7.521 9.353 1.00 0.00 H new ATOM 848 N ALA A 58 6.002 -6.744 7.324 1.00 0.00 N ATOM 849 CA ALA A 58 6.931 -6.761 6.200 1.00 0.00 C ATOM 850 C ALA A 58 8.108 -5.824 6.447 1.00 0.00 C ATOM 851 O ALA A 58 9.265 -6.245 6.424 1.00 0.00 O ATOM 852 CB ALA A 58 6.210 -6.379 4.916 1.00 0.00 C ATOM 0 H ALA A 58 5.054 -6.455 7.083 1.00 0.00 H new ATOM 0 HA ALA A 58 7.322 -7.773 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.914 -6.395 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.406 -7.090 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.792 -5.377 5.018 1.00 0.00 H new ATOM 858 N TYR A 59 7.806 -4.552 6.683 1.00 0.00 N ATOM 859 CA TYR A 59 8.841 -3.554 6.931 1.00 0.00 C ATOM 860 C TYR A 59 9.897 -4.092 7.891 1.00 0.00 C ATOM 861 O TYR A 59 11.079 -3.767 7.776 1.00 0.00 O ATOM 862 CB TYR A 59 8.221 -2.277 7.501 1.00 0.00 C ATOM 863 CG TYR A 59 9.236 -1.319 8.083 1.00 0.00 C ATOM 864 CD1 TYR A 59 10.494 -1.177 7.510 1.00 0.00 C ATOM 865 CD2 TYR A 59 8.937 -0.556 9.205 1.00 0.00 C ATOM 866 CE1 TYR A 59 11.425 -0.303 8.038 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.861 0.321 9.738 1.00 0.00 C ATOM 868 CZ TYR A 59 11.103 0.444 9.151 1.00 0.00 C ATOM 869 OH TYR A 59 12.027 1.316 9.681 1.00 0.00 O ATOM 0 H TYR A 59 6.854 -4.187 6.708 1.00 0.00 H new ATOM 0 HA TYR A 59 9.323 -3.323 5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.665 -1.770 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.502 -2.546 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.748 -1.760 6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.966 -0.650 9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.399 -0.206 7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.612 0.908 10.610 1.00 0.00 H new ATOM 0 HH TYR A 59 11.642 1.766 10.462 1.00 0.00 H new ATOM 879 N GLU A 60 9.462 -4.918 8.837 1.00 0.00 N ATOM 880 CA GLU A 60 10.371 -5.502 9.818 1.00 0.00 C ATOM 881 C GLU A 60 11.302 -6.516 9.160 1.00 0.00 C ATOM 882 O GLU A 60 12.524 -6.380 9.216 1.00 0.00 O ATOM 883 CB GLU A 60 9.580 -6.174 10.942 1.00 0.00 C ATOM 884 CG GLU A 60 9.019 -5.195 11.961 1.00 0.00 C ATOM 885 CD GLU A 60 8.463 -5.887 13.190 1.00 0.00 C ATOM 886 OE1 GLU A 60 8.615 -7.122 13.294 1.00 0.00 O ATOM 887 OE2 GLU A 60 7.877 -5.194 14.047 1.00 0.00 O ATOM 0 H GLU A 60 8.487 -5.198 8.945 1.00 0.00 H new ATOM 0 HA GLU A 60 10.976 -4.699 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.758 -6.743 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.226 -6.887 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.804 -4.501 12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.232 -4.602 11.495 1.00 0.00 H new ATOM 894 N SER A 61 10.715 -7.534 8.538 1.00 0.00 N ATOM 895 CA SER A 61 11.491 -8.574 7.874 1.00 0.00 C ATOM 896 C SER A 61 12.327 -7.988 6.740 1.00 0.00 C ATOM 897 O SER A 61 13.300 -8.595 6.292 1.00 0.00 O ATOM 898 CB SER A 61 10.563 -9.662 7.329 1.00 0.00 C ATOM 899 OG SER A 61 11.306 -10.727 6.760 1.00 0.00 O ATOM 0 H SER A 61 9.704 -7.660 8.480 1.00 0.00 H new ATOM 0 HA SER A 61 12.165 -9.015 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.932 -10.043 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.899 -9.235 6.577 1.00 0.00 H new ATOM 0 HG SER A 61 10.691 -11.410 6.420 1.00 0.00 H new ATOM 905 N HIS A 62 11.940 -6.802 6.280 1.00 0.00 N ATOM 906 CA HIS A 62 12.653 -6.132 5.198 1.00 0.00 C ATOM 907 C HIS A 62 13.955 -5.518 5.705 1.00 0.00 C ATOM 908 O HIS A 62 14.877 -5.269 4.928 1.00 0.00 O ATOM 909 CB HIS A 62 11.773 -5.048 4.574 1.00 0.00 C ATOM 910 CG HIS A 62 12.433 -4.320 3.444 1.00 0.00 C ATOM 911 ND1 HIS A 62 12.387 -4.758 2.137 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.155 -3.175 3.430 1.00 0.00 C ATOM 913 CE1 HIS A 62 13.054 -3.915 1.369 1.00 0.00 C ATOM 914 NE2 HIS A 62 13.530 -2.946 2.129 1.00 0.00 N ATOM 0 H HIS A 62 11.137 -6.286 6.639 1.00 0.00 H new ATOM 0 HA HIS A 62 12.894 -6.876 4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.851 -5.503 4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.494 -4.330 5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.392 -2.557 4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.187 -4.003 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.086 -2.156 1.803 1.00 0.00 H new ATOM 922 N GLU A 63 14.021 -5.276 7.010 1.00 0.00 N ATOM 923 CA GLU A 63 15.210 -4.690 7.618 1.00 0.00 C ATOM 924 C GLU A 63 16.423 -5.595 7.423 1.00 0.00 C ATOM 925 O GLU A 63 17.563 -5.173 7.615 1.00 0.00 O ATOM 926 CB GLU A 63 14.978 -4.445 9.111 1.00 0.00 C ATOM 927 CG GLU A 63 15.777 -3.278 9.667 1.00 0.00 C ATOM 928 CD GLU A 63 15.727 -3.206 11.181 1.00 0.00 C ATOM 929 OE1 GLU A 63 16.561 -3.866 11.834 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.853 -2.488 11.711 1.00 0.00 O ATOM 0 H GLU A 63 13.266 -5.476 7.666 1.00 0.00 H new ATOM 0 HA GLU A 63 15.406 -3.737 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.917 -4.261 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.237 -5.348 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.815 -3.367 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.392 -2.347 9.250 1.00 0.00 H new ATOM 937 N GLY A 64 16.169 -6.842 7.039 1.00 0.00 N ATOM 938 CA GLY A 64 17.249 -7.787 6.824 1.00 0.00 C ATOM 939 C GLY A 64 17.508 -8.047 5.353 1.00 0.00 C ATOM 940 O GLY A 64 18.627 -8.379 4.963 1.00 0.00 O ATOM 0 H GLY A 64 15.234 -7.215 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.159 -7.406 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.008 -8.728 7.319 1.00 0.00 H new ATOM 944 N MET A 65 16.471 -7.898 4.536 1.00 0.00 N ATOM 945 CA MET A 65 16.592 -8.120 3.100 1.00 0.00 C ATOM 946 C MET A 65 16.187 -6.872 2.321 1.00 0.00 C ATOM 947 O MET A 65 15.106 -6.819 1.733 1.00 0.00 O ATOM 948 CB MET A 65 15.727 -9.306 2.671 1.00 0.00 C ATOM 949 CG MET A 65 16.304 -10.655 3.070 1.00 0.00 C ATOM 950 SD MET A 65 15.887 -11.115 4.763 1.00 0.00 S ATOM 951 CE MET A 65 15.761 -12.895 4.609 1.00 0.00 C ATOM 0 H MET A 65 15.538 -7.625 4.844 1.00 0.00 H new ATOM 0 HA MET A 65 17.636 -8.342 2.879 1.00 0.00 H new ATOM 0 HB2 MET A 65 14.735 -9.200 3.111 1.00 0.00 H new ATOM 0 HB3 MET A 65 15.600 -9.280 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.934 -11.420 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.388 -10.629 2.961 1.00 0.00 H new ATOM 0 HE1 MET A 65 15.507 -13.327 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 65 14.984 -13.144 3.886 1.00 0.00 H new ATOM 0 HE3 MET A 65 16.715 -13.299 4.270 1.00 0.00 H new ATOM 961 N CYS A 66 17.060 -5.871 2.321 1.00 0.00 N ATOM 962 CA CYS A 66 16.794 -4.623 1.616 1.00 0.00 C ATOM 963 C CYS A 66 17.604 -4.545 0.325 1.00 0.00 C ATOM 964 O CYS A 66 18.786 -4.886 0.283 1.00 0.00 O ATOM 965 CB CYS A 66 17.122 -3.427 2.510 1.00 0.00 C ATOM 966 SG CYS A 66 16.971 -1.813 1.679 1.00 0.00 S ATOM 0 H CYS A 66 17.959 -5.900 2.802 1.00 0.00 H new ATOM 0 HA CYS A 66 15.734 -4.597 1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.459 -3.441 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.139 -3.536 2.886 1.00 0.00 H new ATOM 0 HG CYS A 66 16.002 -1.136 2.220 1.00 0.00 H new ATOM 971 N PRO A 67 16.955 -4.083 -0.754 1.00 0.00 N ATOM 972 CA PRO A 67 17.596 -3.948 -2.066 1.00 0.00 C ATOM 973 C PRO A 67 18.634 -2.831 -2.091 1.00 0.00 C ATOM 974 O PRO A 67 19.687 -2.965 -2.714 1.00 0.00 O ATOM 975 CB PRO A 67 16.428 -3.614 -2.998 1.00 0.00 C ATOM 976 CG PRO A 67 15.406 -2.986 -2.115 1.00 0.00 C ATOM 977 CD PRO A 67 15.546 -3.657 -0.777 1.00 0.00 C ATOM 0 HA PRO A 67 18.141 -4.849 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.737 -2.934 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.038 -4.510 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.570 -1.912 -2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.403 -3.125 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.320 -2.973 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.868 -4.505 -0.680 1.00 0.00 H new ATOM 985 N GLN A 68 18.329 -1.731 -1.410 1.00 0.00 N ATOM 986 CA GLN A 68 19.237 -0.591 -1.356 1.00 0.00 C ATOM 987 C GLN A 68 19.545 -0.209 0.088 1.00 0.00 C ATOM 988 O GLN A 68 19.053 0.801 0.590 1.00 0.00 O ATOM 989 CB GLN A 68 18.633 0.605 -2.095 1.00 0.00 C ATOM 990 CG GLN A 68 18.990 0.652 -3.572 1.00 0.00 C ATOM 991 CD GLN A 68 20.470 0.880 -3.807 1.00 0.00 C ATOM 992 OE1 GLN A 68 21.034 1.880 -3.362 1.00 0.00 O ATOM 993 NE2 GLN A 68 21.108 -0.049 -4.509 1.00 0.00 N ATOM 0 H GLN A 68 17.461 -1.605 -0.889 1.00 0.00 H new ATOM 0 HA GLN A 68 20.169 -0.877 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.548 0.574 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.972 1.525 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.691 -0.284 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 68 18.422 1.448 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 68 20.601 -0.862 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 68 22.105 0.050 -4.699 1.00 0.00 H new ATOM 1002 N GLU A 69 20.362 -1.023 0.749 1.00 0.00 N ATOM 1003 CA GLU A 69 20.735 -0.770 2.136 1.00 0.00 C ATOM 1004 C GLU A 69 21.720 0.392 2.231 1.00 0.00 C ATOM 1005 O GLU A 69 21.902 0.979 3.298 1.00 0.00 O ATOM 1006 CB GLU A 69 21.347 -2.025 2.760 1.00 0.00 C ATOM 1007 CG GLU A 69 21.421 -1.977 4.277 1.00 0.00 C ATOM 1008 CD GLU A 69 20.096 -1.603 4.913 1.00 0.00 C ATOM 1009 OE1 GLU A 69 19.147 -2.409 4.823 1.00 0.00 O ATOM 1010 OE2 GLU A 69 20.009 -0.505 5.501 1.00 0.00 O ATOM 0 H GLU A 69 20.778 -1.863 0.347 1.00 0.00 H new ATOM 0 HA GLU A 69 19.832 -0.504 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.759 -2.893 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.351 -2.167 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.739 -2.950 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.181 -1.256 4.578 1.00 0.00 H new