USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 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 70:sc= -0.32 USER MOD Set 1.2: A 50 CYS SG : rot -61:sc= 0.413 USER MOD Set 1.3: A 52 CYS SG : rot 100:sc= 0.0647 USER MOD Set 1.4: A 62 HIS : no HD1:sc= -5.26 X(o=-6.2,f=-6.4) USER MOD Set 1.5: A 66 CYS SG : rot 123:sc= -1.08 USER MOD Set 2.1: A 19 CYS SG : rot 161:sc= -4.57! USER MOD Set 2.2: A 21 ASN : amide:sc= -4.8! C(o=-21!,f=-21!) USER MOD Set 2.3: A 23 CYS SG : rot -85:sc= -0.817 USER MOD Set 2.4: A 35 HIS : no HD1:sc= -8.61! C(o=-21!,f=-21!) USER MOD Set 2.5: A 40 CYS SG : rot 66:sc= -1.89 USER MOD Single : A 25 MET CE :methyl -155:sc= -1.1 (180deg=-2.48!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.817 USER MOD Single : A 37 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0042) USER MOD Single : A 38 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.011) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -1.47 (180deg=-3.39!) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -0.88 (180deg=-2.85!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0329 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= -0.0258 X(o=-0.026,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.265 1.661 9.713 1.00 0.00 N ATOM 203 CA ILE A 17 -15.806 3.013 10.008 1.00 0.00 C ATOM 204 C ILE A 17 -14.586 3.375 9.168 1.00 0.00 C ATOM 205 O ILE A 17 -13.801 2.516 8.766 1.00 0.00 O ATOM 206 CB ILE A 17 -15.455 3.175 11.499 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.567 2.020 11.965 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.723 3.247 12.336 1.00 0.00 C ATOM 209 CD1 ILE A 17 -13.663 2.382 13.122 1.00 0.00 C ATOM 0 HA ILE A 17 -16.627 3.686 9.761 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.904 4.106 11.629 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.199 1.181 12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.955 1.682 11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.459 3.361 13.387 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.321 4.100 12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.299 2.331 12.204 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.062 1.516 13.399 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.006 3.200 12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.269 2.691 13.974 1.00 0.00 H new ATOM 221 N PRO A 18 -14.420 4.678 8.896 1.00 0.00 N ATOM 222 CA PRO A 18 -13.296 5.184 8.103 1.00 0.00 C ATOM 223 C PRO A 18 -11.967 5.068 8.842 1.00 0.00 C ATOM 224 O PRO A 18 -11.925 5.093 10.072 1.00 0.00 O ATOM 225 CB PRO A 18 -13.656 6.655 7.877 1.00 0.00 C ATOM 226 CG PRO A 18 -14.546 7.007 9.018 1.00 0.00 C ATOM 227 CD PRO A 18 -15.317 5.757 9.342 1.00 0.00 C ATOM 0 HA PRO A 18 -13.159 4.618 7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.765 7.283 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.162 6.796 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.965 7.341 9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.218 7.822 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.535 5.684 10.408 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.273 5.727 8.819 1.00 0.00 H new ATOM 235 N CYS A 19 -10.883 4.943 8.084 1.00 0.00 N ATOM 236 CA CYS A 19 -9.552 4.823 8.666 1.00 0.00 C ATOM 237 C CYS A 19 -9.055 6.176 9.169 1.00 0.00 C ATOM 238 O CYS A 19 -9.178 7.200 8.496 1.00 0.00 O ATOM 239 CB CYS A 19 -8.571 4.258 7.636 1.00 0.00 C ATOM 240 SG CYS A 19 -6.889 3.987 8.282 1.00 0.00 S ATOM 0 H CYS A 19 -10.900 4.922 7.064 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.613 4.140 9.513 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.961 3.312 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.517 4.941 6.788 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.254 3.159 7.506 1.00 0.00 H new ATOM 245 N PRO A 20 -8.478 6.181 10.379 1.00 0.00 N ATOM 246 CA PRO A 20 -7.949 7.400 10.999 1.00 0.00 C ATOM 247 C PRO A 20 -6.699 7.914 10.294 1.00 0.00 C ATOM 248 O PRO A 20 -6.336 9.081 10.428 1.00 0.00 O ATOM 249 CB PRO A 20 -7.614 6.956 12.425 1.00 0.00 C ATOM 250 CG PRO A 20 -7.376 5.489 12.319 1.00 0.00 C ATOM 251 CD PRO A 20 -8.296 4.997 11.237 1.00 0.00 C ATOM 0 HA PRO A 20 -8.661 8.224 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.733 7.474 12.804 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.432 7.176 13.111 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.335 5.279 12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.585 4.990 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.859 4.165 10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.244 4.646 11.644 1.00 0.00 H new ATOM 259 N ASN A 21 -6.046 7.034 9.541 1.00 0.00 N ATOM 260 CA ASN A 21 -4.836 7.400 8.814 1.00 0.00 C ATOM 261 C ASN A 21 -5.159 8.347 7.663 1.00 0.00 C ATOM 262 O ASN A 21 -4.261 8.938 7.061 1.00 0.00 O ATOM 263 CB ASN A 21 -4.139 6.148 8.279 1.00 0.00 C ATOM 264 CG ASN A 21 -3.670 5.228 9.390 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.212 5.245 10.495 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.657 4.419 9.100 1.00 0.00 N ATOM 0 H ASN A 21 -6.334 6.063 9.419 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.167 7.912 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.823 5.606 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.284 6.443 7.670 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.298 3.778 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.238 4.439 8.170 1.00 0.00 H new ATOM 273 N ARG A 22 -6.445 8.487 7.362 1.00 0.00 N ATOM 274 CA ARG A 22 -6.887 9.362 6.282 1.00 0.00 C ATOM 275 C ARG A 22 -6.811 8.646 4.937 1.00 0.00 C ATOM 276 O ARG A 22 -6.753 9.283 3.884 1.00 0.00 O ATOM 277 CB ARG A 22 -6.034 10.631 6.245 1.00 0.00 C ATOM 278 CG ARG A 22 -4.947 10.604 5.184 1.00 0.00 C ATOM 279 CD ARG A 22 -3.718 11.383 5.625 1.00 0.00 C ATOM 280 NE ARG A 22 -4.039 12.768 5.960 1.00 0.00 N ATOM 281 CZ ARG A 22 -4.344 13.691 5.055 1.00 0.00 C ATOM 282 NH1 ARG A 22 -4.370 13.378 3.767 1.00 0.00 N ATOM 283 NH2 ARG A 22 -4.625 14.930 5.438 1.00 0.00 N ATOM 0 H ARG A 22 -7.200 8.006 7.851 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.925 9.635 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.682 11.489 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.573 10.777 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.668 9.571 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.333 11.026 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.271 10.895 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.973 11.366 4.829 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.028 13.041 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.155 12.426 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.605 14.089 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.607 15.174 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.859 15.638 4.742 1.00 0.00 H new ATOM 297 N CYS A 23 -6.812 7.317 4.978 1.00 0.00 N ATOM 298 CA CYS A 23 -6.742 6.514 3.764 1.00 0.00 C ATOM 299 C CYS A 23 -8.134 6.068 3.326 1.00 0.00 C ATOM 300 O CYS A 23 -9.001 5.760 4.144 1.00 0.00 O ATOM 301 CB CYS A 23 -5.850 5.291 3.987 1.00 0.00 C ATOM 302 SG CYS A 23 -6.731 3.838 4.643 1.00 0.00 S ATOM 0 H CYS A 23 -6.861 6.774 5.840 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.312 7.131 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.379 5.021 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.050 5.559 4.677 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.795 3.918 5.939 1.00 0.00 H new ATOM 307 N PRO A 24 -8.355 6.033 2.003 1.00 0.00 N ATOM 308 CA PRO A 24 -9.639 5.625 1.426 1.00 0.00 C ATOM 309 C PRO A 24 -9.912 4.137 1.611 1.00 0.00 C ATOM 310 O PRO A 24 -9.992 3.386 0.639 1.00 0.00 O ATOM 311 CB PRO A 24 -9.483 5.960 -0.059 1.00 0.00 C ATOM 312 CG PRO A 24 -8.014 5.918 -0.304 1.00 0.00 C ATOM 313 CD PRO A 24 -7.368 6.387 0.970 1.00 0.00 C ATOM 0 HA PRO A 24 -10.479 6.129 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.010 5.240 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.895 6.943 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.689 4.909 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.739 6.561 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.412 5.892 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.173 7.459 0.951 1.00 0.00 H new ATOM 321 N MET A 25 -10.054 3.717 2.863 1.00 0.00 N ATOM 322 CA MET A 25 -10.320 2.317 3.174 1.00 0.00 C ATOM 323 C MET A 25 -11.010 2.182 4.528 1.00 0.00 C ATOM 324 O MET A 25 -10.472 2.595 5.555 1.00 0.00 O ATOM 325 CB MET A 25 -9.016 1.515 3.171 1.00 0.00 C ATOM 326 CG MET A 25 -8.831 0.661 1.927 1.00 0.00 C ATOM 327 SD MET A 25 -8.377 -1.040 2.314 1.00 0.00 S ATOM 328 CE MET A 25 -9.838 -1.589 3.192 1.00 0.00 C ATOM 0 H MET A 25 -9.989 4.326 3.679 1.00 0.00 H new ATOM 0 HA MET A 25 -10.984 1.920 2.406 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.175 2.203 3.258 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.993 0.871 4.050 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.755 0.664 1.348 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.059 1.105 1.298 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.574 -2.408 3.861 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.245 -0.762 3.774 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.585 -1.931 2.476 1.00 0.00 H new ATOM 338 N LYS A 26 -12.205 1.601 4.522 1.00 0.00 N ATOM 339 CA LYS A 26 -12.969 1.410 5.749 1.00 0.00 C ATOM 340 C LYS A 26 -13.087 -0.072 6.092 1.00 0.00 C ATOM 341 O LYS A 26 -13.570 -0.869 5.287 1.00 0.00 O ATOM 342 CB LYS A 26 -14.364 2.024 5.606 1.00 0.00 C ATOM 343 CG LYS A 26 -14.352 3.435 5.045 1.00 0.00 C ATOM 344 CD LYS A 26 -15.497 4.265 5.602 1.00 0.00 C ATOM 345 CE LYS A 26 -15.534 5.652 4.978 1.00 0.00 C ATOM 346 NZ LYS A 26 -16.147 5.633 3.621 1.00 0.00 N ATOM 0 H LYS A 26 -12.665 1.254 3.681 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.439 1.911 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.967 1.389 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.849 2.034 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.403 3.915 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.424 3.396 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.442 3.755 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.391 4.354 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.099 6.325 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.521 6.048 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.154 6.597 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.593 5.010 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.123 5.279 3.686 1.00 0.00 H new ATOM 360 N LEU A 27 -12.644 -0.434 7.291 1.00 0.00 N ATOM 361 CA LEU A 27 -12.701 -1.820 7.741 1.00 0.00 C ATOM 362 C LEU A 27 -13.884 -2.040 8.678 1.00 0.00 C ATOM 363 O LEU A 27 -14.864 -2.692 8.315 1.00 0.00 O ATOM 364 CB LEU A 27 -11.399 -2.202 8.447 1.00 0.00 C ATOM 365 CG LEU A 27 -10.141 -1.471 7.977 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.136 -1.337 6.462 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.043 -0.102 8.636 1.00 0.00 C ATOM 0 H LEU A 27 -12.241 0.213 7.969 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.832 -2.455 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.522 -2.022 9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.241 -3.273 8.320 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.271 -2.058 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.233 -0.814 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.159 -2.328 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.012 -0.772 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.142 0.405 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.918 0.492 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.999 -0.222 9.719 1.00 0.00 H new ATOM 379 N SER A 28 -13.788 -1.490 9.884 1.00 0.00 N ATOM 380 CA SER A 28 -14.849 -1.627 10.875 1.00 0.00 C ATOM 381 C SER A 28 -14.381 -1.143 12.244 1.00 0.00 C ATOM 382 O SER A 28 -13.276 -0.619 12.384 1.00 0.00 O ATOM 383 CB SER A 28 -15.306 -3.085 10.965 1.00 0.00 C ATOM 384 OG SER A 28 -15.109 -3.601 12.270 1.00 0.00 O ATOM 0 H SER A 28 -12.985 -0.945 10.199 1.00 0.00 H new ATOM 0 HA SER A 28 -15.689 -1.009 10.559 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.360 -3.156 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.753 -3.688 10.245 1.00 0.00 H new ATOM 0 HG SER A 28 -15.410 -4.533 12.302 1.00 0.00 H new ATOM 390 N ARG A 29 -15.231 -1.323 13.250 1.00 0.00 N ATOM 391 CA ARG A 29 -14.906 -0.904 14.608 1.00 0.00 C ATOM 392 C ARG A 29 -14.234 -2.036 15.380 1.00 0.00 C ATOM 393 O ARG A 29 -14.326 -2.105 16.606 1.00 0.00 O ATOM 394 CB ARG A 29 -16.170 -0.453 15.341 1.00 0.00 C ATOM 395 CG ARG A 29 -15.890 0.373 16.586 1.00 0.00 C ATOM 396 CD ARG A 29 -17.089 1.224 16.972 1.00 0.00 C ATOM 397 NE ARG A 29 -18.315 0.435 17.057 1.00 0.00 N ATOM 398 CZ ARG A 29 -19.533 0.967 17.066 1.00 0.00 C ATOM 399 NH1 ARG A 29 -19.686 2.282 16.994 1.00 0.00 N ATOM 400 NH2 ARG A 29 -20.600 0.183 17.146 1.00 0.00 N ATOM 0 H ARG A 29 -16.149 -1.756 13.150 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.211 -0.066 14.547 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.787 0.132 14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.750 -1.332 15.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.631 -0.289 17.412 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.028 1.016 16.411 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.899 1.704 17.932 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -17.220 2.020 16.239 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.232 -0.580 17.113 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.868 2.888 16.931 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.622 2.688 17.001 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -20.486 -0.829 17.201 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -21.534 0.592 17.153 1.00 0.00 H new ATOM 414 N ARG A 30 -13.559 -2.922 14.654 1.00 0.00 N ATOM 415 CA ARG A 30 -12.874 -4.051 15.270 1.00 0.00 C ATOM 416 C ARG A 30 -11.552 -4.336 14.563 1.00 0.00 C ATOM 417 O ARG A 30 -10.544 -4.633 15.205 1.00 0.00 O ATOM 418 CB ARG A 30 -13.762 -5.296 15.234 1.00 0.00 C ATOM 419 CG ARG A 30 -14.729 -5.388 16.404 1.00 0.00 C ATOM 420 CD ARG A 30 -16.040 -4.680 16.099 1.00 0.00 C ATOM 421 NE ARG A 30 -17.063 -4.968 17.102 1.00 0.00 N ATOM 422 CZ ARG A 30 -18.367 -4.856 16.875 1.00 0.00 C ATOM 423 NH1 ARG A 30 -18.805 -4.465 15.685 1.00 0.00 N ATOM 424 NH2 ARG A 30 -19.236 -5.136 17.837 1.00 0.00 N ATOM 0 H ARG A 30 -13.472 -2.879 13.639 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.664 -3.793 16.308 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.329 -5.301 14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.129 -6.183 15.226 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.925 -6.435 16.634 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.273 -4.946 17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.869 -3.604 16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.398 -4.988 15.117 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.759 -5.272 18.027 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.140 -4.250 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.807 -4.380 15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.903 -5.438 18.753 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.237 -5.049 17.661 1.00 0.00 H new ATOM 438 N ASP A 31 -11.564 -4.244 13.238 1.00 0.00 N ATOM 439 CA ASP A 31 -10.366 -4.492 12.443 1.00 0.00 C ATOM 440 C ASP A 31 -9.559 -3.210 12.264 1.00 0.00 C ATOM 441 O ASP A 31 -8.587 -3.176 11.507 1.00 0.00 O ATOM 442 CB ASP A 31 -10.745 -5.067 11.077 1.00 0.00 C ATOM 443 CG ASP A 31 -11.131 -6.530 11.152 1.00 0.00 C ATOM 444 OD1 ASP A 31 -11.389 -7.019 12.272 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.176 -7.188 10.091 1.00 0.00 O ATOM 0 H ASP A 31 -12.390 -4.000 12.691 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.749 -5.217 12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.576 -4.496 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.906 -4.950 10.391 1.00 0.00 H new ATOM 450 N LEU A 32 -9.967 -2.157 12.963 1.00 0.00 N ATOM 451 CA LEU A 32 -9.283 -0.872 12.881 1.00 0.00 C ATOM 452 C LEU A 32 -7.860 -0.976 13.422 1.00 0.00 C ATOM 453 O LEU A 32 -6.896 -0.545 12.789 1.00 0.00 O ATOM 454 CB LEU A 32 -10.059 0.193 13.658 1.00 0.00 C ATOM 455 CG LEU A 32 -9.958 1.622 13.123 1.00 0.00 C ATOM 456 CD1 LEU A 32 -8.504 2.060 13.043 1.00 0.00 C ATOM 457 CD2 LEU A 32 -10.625 1.729 11.760 1.00 0.00 C ATOM 0 H LEU A 32 -10.769 -2.168 13.593 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.233 -0.583 11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.111 -0.093 13.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.709 0.187 14.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.479 2.286 13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.452 3.079 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.057 2.022 14.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.959 1.393 12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.544 2.753 11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.133 1.054 11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.677 1.458 11.847 1.00 0.00 H new ATOM 469 N PRO A 33 -7.725 -1.565 14.619 1.00 0.00 N ATOM 470 CA PRO A 33 -6.424 -1.743 15.271 1.00 0.00 C ATOM 471 C PRO A 33 -5.554 -2.772 14.558 1.00 0.00 C ATOM 472 O PRO A 33 -4.385 -2.952 14.896 1.00 0.00 O ATOM 473 CB PRO A 33 -6.793 -2.234 16.673 1.00 0.00 C ATOM 474 CG PRO A 33 -8.127 -2.877 16.509 1.00 0.00 C ATOM 475 CD PRO A 33 -8.831 -2.102 15.430 1.00 0.00 C ATOM 0 HA PRO A 33 -5.838 -0.824 15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.056 -2.942 17.051 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.836 -1.408 17.383 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.023 -3.926 16.231 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.691 -2.848 17.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.488 -2.741 14.840 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.449 -1.306 15.845 1.00 0.00 H new ATOM 483 N ALA A 34 -6.133 -3.445 13.568 1.00 0.00 N ATOM 484 CA ALA A 34 -5.409 -4.455 12.805 1.00 0.00 C ATOM 485 C ALA A 34 -5.234 -4.025 11.353 1.00 0.00 C ATOM 486 O ALA A 34 -4.810 -4.814 10.508 1.00 0.00 O ATOM 487 CB ALA A 34 -6.134 -5.791 12.879 1.00 0.00 C ATOM 0 H ALA A 34 -7.101 -3.309 13.276 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.418 -4.567 13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.583 -6.536 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.202 -6.111 13.919 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.137 -5.684 12.466 1.00 0.00 H new ATOM 493 N HIS A 35 -5.564 -2.769 11.069 1.00 0.00 N ATOM 494 CA HIS A 35 -5.443 -2.234 9.717 1.00 0.00 C ATOM 495 C HIS A 35 -4.334 -1.189 9.644 1.00 0.00 C ATOM 496 O HIS A 35 -3.606 -1.109 8.653 1.00 0.00 O ATOM 497 CB HIS A 35 -6.769 -1.619 9.268 1.00 0.00 C ATOM 498 CG HIS A 35 -6.647 -0.754 8.052 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.344 -1.250 6.802 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.792 0.583 7.899 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.305 -0.256 5.933 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.574 0.867 6.573 1.00 0.00 N ATOM 0 H HIS A 35 -5.917 -2.103 11.756 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.188 -3.057 9.049 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.481 -2.419 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.180 -1.027 10.085 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.034 1.294 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.090 -0.346 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.614 1.795 6.151 1.00 0.00 H new ATOM 510 N LEU A 36 -4.211 -0.389 10.697 1.00 0.00 N ATOM 511 CA LEU A 36 -3.191 0.653 10.752 1.00 0.00 C ATOM 512 C LEU A 36 -1.832 0.065 11.118 1.00 0.00 C ATOM 513 O LEU A 36 -0.820 0.765 11.107 1.00 0.00 O ATOM 514 CB LEU A 36 -3.585 1.727 11.767 1.00 0.00 C ATOM 515 CG LEU A 36 -5.081 2.012 11.897 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.340 3.018 13.008 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.644 2.517 10.576 1.00 0.00 C ATOM 0 H LEU A 36 -4.805 -0.442 11.525 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.116 1.107 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.206 1.431 12.745 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.081 2.655 11.498 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.587 1.081 12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.411 3.208 13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.974 2.618 13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.822 3.950 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.710 2.715 10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.132 3.436 10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.493 1.762 9.804 1.00 0.00 H new ATOM 529 N GLN A 37 -1.818 -1.225 11.440 1.00 0.00 N ATOM 530 CA GLN A 37 -0.582 -1.907 11.807 1.00 0.00 C ATOM 531 C GLN A 37 0.193 -2.335 10.566 1.00 0.00 C ATOM 532 O GLN A 37 1.306 -1.867 10.324 1.00 0.00 O ATOM 533 CB GLN A 37 -0.888 -3.126 12.679 1.00 0.00 C ATOM 534 CG GLN A 37 0.302 -4.053 12.866 1.00 0.00 C ATOM 535 CD GLN A 37 0.112 -5.021 14.018 1.00 0.00 C ATOM 536 OE1 GLN A 37 0.182 -6.237 13.840 1.00 0.00 O ATOM 537 NE2 GLN A 37 -0.130 -4.484 15.208 1.00 0.00 N ATOM 0 H GLN A 37 -2.648 -1.818 11.454 1.00 0.00 H new ATOM 0 HA GLN A 37 0.034 -1.209 12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.231 -2.787 13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.708 -3.687 12.231 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.468 -4.616 11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.198 -3.457 13.041 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.179 -3.470 15.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.266 -5.085 16.021 1.00 0.00 H new ATOM 546 N HIS A 38 -0.402 -3.229 9.782 1.00 0.00 N ATOM 547 CA HIS A 38 0.233 -3.721 8.564 1.00 0.00 C ATOM 548 C HIS A 38 -0.808 -4.011 7.488 1.00 0.00 C ATOM 549 O HIS A 38 -0.606 -4.872 6.631 1.00 0.00 O ATOM 550 CB HIS A 38 1.043 -4.984 8.861 1.00 0.00 C ATOM 551 CG HIS A 38 0.197 -6.169 9.211 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.465 -7.444 8.760 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.916 -6.268 9.976 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.448 -8.276 9.230 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.297 -7.587 9.971 1.00 0.00 N ATOM 0 H HIS A 38 -1.322 -3.627 9.968 1.00 0.00 H new ATOM 0 HA HIS A 38 0.905 -2.946 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.653 -5.228 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.728 -4.781 9.684 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.412 -5.460 10.494 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.492 -9.338 9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.105 -7.972 10.460 1.00 0.00 H new ATOM 563 N ASP A 39 -1.921 -3.288 7.538 1.00 0.00 N ATOM 564 CA ASP A 39 -2.994 -3.467 6.566 1.00 0.00 C ATOM 565 C ASP A 39 -3.474 -2.122 6.032 1.00 0.00 C ATOM 566 O ASP A 39 -4.486 -2.044 5.335 1.00 0.00 O ATOM 567 CB ASP A 39 -4.162 -4.225 7.199 1.00 0.00 C ATOM 568 CG ASP A 39 -4.405 -5.569 6.542 1.00 0.00 C ATOM 569 OD1 ASP A 39 -4.980 -5.592 5.434 1.00 0.00 O ATOM 570 OD2 ASP A 39 -4.020 -6.599 7.135 1.00 0.00 O ATOM 0 H ASP A 39 -2.104 -2.572 8.241 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.602 -4.049 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.962 -4.374 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.066 -3.620 7.127 1.00 0.00 H new ATOM 575 N CYS A 40 -2.742 -1.064 6.365 1.00 0.00 N ATOM 576 CA CYS A 40 -3.093 0.280 5.920 1.00 0.00 C ATOM 577 C CYS A 40 -2.064 0.810 4.926 1.00 0.00 C ATOM 578 O CYS A 40 -0.855 0.688 5.122 1.00 0.00 O ATOM 579 CB CYS A 40 -3.196 1.225 7.118 1.00 0.00 C ATOM 580 SG CYS A 40 -3.582 2.949 6.674 1.00 0.00 S ATOM 0 H CYS A 40 -1.902 -1.111 6.942 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.061 0.230 5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.966 0.854 7.795 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.254 1.204 7.666 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.775 3.008 6.162 1.00 0.00 H new ATOM 585 N PRO A 41 -2.554 1.413 3.833 1.00 0.00 N ATOM 586 CA PRO A 41 -1.694 1.975 2.787 1.00 0.00 C ATOM 587 C PRO A 41 -0.946 3.218 3.257 1.00 0.00 C ATOM 588 O PRO A 41 0.176 3.481 2.823 1.00 0.00 O ATOM 589 CB PRO A 41 -2.680 2.335 1.672 1.00 0.00 C ATOM 590 CG PRO A 41 -3.980 2.546 2.370 1.00 0.00 C ATOM 591 CD PRO A 41 -3.984 1.594 3.534 1.00 0.00 C ATOM 0 HA PRO A 41 -0.917 1.275 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.366 3.233 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.752 1.536 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.078 3.577 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.818 2.349 1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.524 2.005 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.464 0.649 3.278 1.00 0.00 H new ATOM 599 N LYS A 42 -1.573 3.979 4.147 1.00 0.00 N ATOM 600 CA LYS A 42 -0.966 5.194 4.678 1.00 0.00 C ATOM 601 C LYS A 42 -0.422 4.960 6.083 1.00 0.00 C ATOM 602 O LYS A 42 -0.177 5.908 6.830 1.00 0.00 O ATOM 603 CB LYS A 42 -1.988 6.333 4.698 1.00 0.00 C ATOM 604 CG LYS A 42 -2.832 6.415 3.438 1.00 0.00 C ATOM 605 CD LYS A 42 -2.153 7.251 2.366 1.00 0.00 C ATOM 606 CE LYS A 42 -2.515 8.723 2.495 1.00 0.00 C ATOM 607 NZ LYS A 42 -1.907 9.339 3.707 1.00 0.00 N ATOM 0 H LYS A 42 -2.502 3.776 4.516 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.136 5.471 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.645 6.205 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.463 7.278 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.015 5.411 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.804 6.848 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.072 7.133 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.445 6.888 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.179 9.259 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.599 8.828 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.756 10.355 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.545 9.212 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.995 8.882 3.909 1.00 0.00 H new ATOM 621 N ARG A 43 -0.233 3.693 6.437 1.00 0.00 N ATOM 622 CA ARG A 43 0.283 3.336 7.753 1.00 0.00 C ATOM 623 C ARG A 43 1.291 4.372 8.242 1.00 0.00 C ATOM 624 O ARG A 43 1.396 4.633 9.440 1.00 0.00 O ATOM 625 CB ARG A 43 0.937 1.954 7.710 1.00 0.00 C ATOM 626 CG ARG A 43 2.156 1.885 6.804 1.00 0.00 C ATOM 627 CD ARG A 43 1.780 1.455 5.395 1.00 0.00 C ATOM 628 NE ARG A 43 2.940 1.407 4.509 1.00 0.00 N ATOM 629 CZ ARG A 43 3.751 0.359 4.416 1.00 0.00 C ATOM 630 NH1 ARG A 43 3.529 -0.723 5.149 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.786 0.392 3.586 1.00 0.00 N ATOM 0 H ARG A 43 -0.430 2.897 5.831 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.555 3.313 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.229 1.668 8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.202 1.224 7.372 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.641 2.860 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.880 1.183 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.309 0.472 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.043 2.148 4.989 1.00 0.00 H new ATOM 0 HE ARG A 43 3.138 2.223 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.734 -0.753 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.154 -1.526 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.959 1.222 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.409 -0.413 3.515 1.00 0.00 H new ATOM 645 N ARG A 44 2.029 4.960 7.305 1.00 0.00 N ATOM 646 CA ARG A 44 3.029 5.966 7.641 1.00 0.00 C ATOM 647 C ARG A 44 4.130 5.369 8.512 1.00 0.00 C ATOM 648 O ARG A 44 4.486 5.926 9.551 1.00 0.00 O ATOM 649 CB ARG A 44 2.375 7.145 8.364 1.00 0.00 C ATOM 650 CG ARG A 44 1.828 8.208 7.425 1.00 0.00 C ATOM 651 CD ARG A 44 0.943 9.200 8.163 1.00 0.00 C ATOM 652 NE ARG A 44 1.722 10.240 8.828 1.00 0.00 N ATOM 653 CZ ARG A 44 2.440 11.150 8.179 1.00 0.00 C ATOM 654 NH1 ARG A 44 2.476 11.148 6.854 1.00 0.00 N ATOM 655 NH2 ARG A 44 3.123 12.064 8.856 1.00 0.00 N ATOM 0 H ARG A 44 1.953 4.757 6.308 1.00 0.00 H new ATOM 0 HA ARG A 44 3.476 6.321 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.564 6.772 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.106 7.602 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.655 8.738 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.257 7.732 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.250 9.661 7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.342 8.670 8.901 1.00 0.00 H new ATOM 0 HE ARG A 44 1.715 10.270 9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.952 10.447 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.028 11.848 6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.097 12.068 9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.674 12.762 8.357 1.00 0.00 H new ATOM 669 N LEU A 45 4.666 4.231 8.082 1.00 0.00 N ATOM 670 CA LEU A 45 5.727 3.557 8.822 1.00 0.00 C ATOM 671 C LEU A 45 7.001 3.469 7.989 1.00 0.00 C ATOM 672 O LEU A 45 7.015 2.862 6.918 1.00 0.00 O ATOM 673 CB LEU A 45 5.276 2.155 9.235 1.00 0.00 C ATOM 674 CG LEU A 45 4.430 2.069 10.506 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.823 0.682 10.651 1.00 0.00 C ATOM 676 CD2 LEU A 45 5.266 2.417 11.729 1.00 0.00 C ATOM 0 H LEU A 45 4.383 3.756 7.225 1.00 0.00 H new ATOM 0 HA LEU A 45 5.940 4.142 9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.706 1.722 8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.162 1.535 9.370 1.00 0.00 H new ATOM 0 HG LEU A 45 3.618 2.792 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.225 0.640 11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.189 0.470 9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.620 -0.060 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.647 2.350 12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.099 1.719 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.652 3.432 11.629 1.00 0.00 H new ATOM 688 N LYS A 46 8.072 4.078 8.488 1.00 0.00 N ATOM 689 CA LYS A 46 9.353 4.066 7.793 1.00 0.00 C ATOM 690 C LYS A 46 10.496 3.784 8.763 1.00 0.00 C ATOM 691 O LYS A 46 10.446 4.179 9.928 1.00 0.00 O ATOM 692 CB LYS A 46 9.586 5.404 7.088 1.00 0.00 C ATOM 693 CG LYS A 46 10.694 5.360 6.049 1.00 0.00 C ATOM 694 CD LYS A 46 10.871 6.705 5.365 1.00 0.00 C ATOM 695 CE LYS A 46 11.358 7.766 6.340 1.00 0.00 C ATOM 696 NZ LYS A 46 10.229 8.417 7.060 1.00 0.00 N ATOM 0 H LYS A 46 8.077 4.586 9.372 1.00 0.00 H new ATOM 0 HA LYS A 46 9.327 3.270 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.660 5.717 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.829 6.161 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.630 5.067 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.465 4.599 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.584 6.607 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.924 7.019 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.036 7.312 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.928 8.522 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.272 9.446 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.327 8.052 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.299 8.208 8.076 1.00 0.00 H new ATOM 710 N CYS A 47 11.526 3.101 8.274 1.00 0.00 N ATOM 711 CA CYS A 47 12.682 2.767 9.097 1.00 0.00 C ATOM 712 C CYS A 47 13.417 4.029 9.539 1.00 0.00 C ATOM 713 O CYS A 47 13.708 4.906 8.727 1.00 0.00 O ATOM 714 CB CYS A 47 13.635 1.852 8.326 1.00 0.00 C ATOM 715 SG CYS A 47 15.027 1.223 9.319 1.00 0.00 S ATOM 0 H CYS A 47 11.583 2.768 7.312 1.00 0.00 H new ATOM 0 HA CYS A 47 12.327 2.245 9.985 1.00 0.00 H new ATOM 0 HB2 CYS A 47 13.071 1.006 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 47 14.031 2.397 7.469 1.00 0.00 H new ATOM 0 HG CYS A 47 14.585 0.370 10.195 1.00 0.00 H new ATOM 720 N GLU A 48 13.714 4.111 10.833 1.00 0.00 N ATOM 721 CA GLU A 48 14.415 5.266 11.382 1.00 0.00 C ATOM 722 C GLU A 48 15.921 5.139 11.172 1.00 0.00 C ATOM 723 O GLU A 48 16.710 5.826 11.821 1.00 0.00 O ATOM 724 CB GLU A 48 14.108 5.414 12.874 1.00 0.00 C ATOM 725 CG GLU A 48 14.721 4.320 13.733 1.00 0.00 C ATOM 726 CD GLU A 48 14.322 4.431 15.192 1.00 0.00 C ATOM 727 OE1 GLU A 48 13.126 4.667 15.464 1.00 0.00 O ATOM 728 OE2 GLU A 48 15.206 4.282 16.061 1.00 0.00 O ATOM 0 H GLU A 48 13.481 3.393 11.519 1.00 0.00 H new ATOM 0 HA GLU A 48 14.066 6.155 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.474 6.382 13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.027 5.413 13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.414 3.347 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.807 4.366 13.653 1.00 0.00 H new ATOM 735 N PHE A 49 16.313 4.256 10.260 1.00 0.00 N ATOM 736 CA PHE A 49 17.724 4.037 9.964 1.00 0.00 C ATOM 737 C PHE A 49 18.005 4.238 8.478 1.00 0.00 C ATOM 738 O PHE A 49 18.712 5.168 8.088 1.00 0.00 O ATOM 739 CB PHE A 49 18.143 2.628 10.388 1.00 0.00 C ATOM 740 CG PHE A 49 18.171 2.433 11.877 1.00 0.00 C ATOM 741 CD1 PHE A 49 16.994 2.271 12.590 1.00 0.00 C ATOM 742 CD2 PHE A 49 19.374 2.411 12.564 1.00 0.00 C ATOM 743 CE1 PHE A 49 17.016 2.093 13.960 1.00 0.00 C ATOM 744 CE2 PHE A 49 19.403 2.233 13.934 1.00 0.00 C ATOM 745 CZ PHE A 49 18.222 2.072 14.633 1.00 0.00 C ATOM 0 H PHE A 49 15.673 3.680 9.713 1.00 0.00 H new ATOM 0 HA PHE A 49 18.306 4.766 10.528 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.456 1.905 9.948 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.132 2.415 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.048 2.284 12.069 1.00 0.00 H new ATOM 0 HD2 PHE A 49 20.300 2.534 12.022 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.091 1.970 14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 49 20.347 2.220 14.458 1.00 0.00 H new ATOM 0 HZ PHE A 49 18.242 1.930 15.703 1.00 0.00 H new ATOM 755 N CYS A 50 17.448 3.359 7.652 1.00 0.00 N ATOM 756 CA CYS A 50 17.639 3.437 6.209 1.00 0.00 C ATOM 757 C CYS A 50 16.586 4.338 5.569 1.00 0.00 C ATOM 758 O CYS A 50 16.782 4.857 4.471 1.00 0.00 O ATOM 759 CB CYS A 50 17.575 2.040 5.588 1.00 0.00 C ATOM 760 SG CYS A 50 15.967 1.208 5.793 1.00 0.00 S ATOM 0 H CYS A 50 16.860 2.584 7.958 1.00 0.00 H new ATOM 0 HA CYS A 50 18.623 3.866 6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.799 2.116 4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 50 18.352 1.420 6.034 1.00 0.00 H new ATOM 0 HG CYS A 50 15.713 1.061 7.059 1.00 0.00 H new ATOM 765 N GLY A 51 15.468 4.519 6.265 1.00 0.00 N ATOM 766 CA GLY A 51 14.401 5.357 5.750 1.00 0.00 C ATOM 767 C GLY A 51 13.632 4.692 4.626 1.00 0.00 C ATOM 768 O GLY A 51 13.506 5.251 3.536 1.00 0.00 O ATOM 0 H GLY A 51 15.282 4.100 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.714 5.604 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.822 6.296 5.392 1.00 0.00 H new ATOM 772 N CYS A 52 13.119 3.495 4.889 1.00 0.00 N ATOM 773 CA CYS A 52 12.361 2.751 3.890 1.00 0.00 C ATOM 774 C CYS A 52 11.015 2.305 4.450 1.00 0.00 C ATOM 775 O CYS A 52 10.952 1.619 5.471 1.00 0.00 O ATOM 776 CB CYS A 52 13.158 1.536 3.415 1.00 0.00 C ATOM 777 SG CYS A 52 14.635 1.950 2.457 1.00 0.00 S ATOM 0 H CYS A 52 13.214 3.019 5.786 1.00 0.00 H new ATOM 0 HA CYS A 52 12.180 3.411 3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.454 0.947 4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.510 0.904 2.808 1.00 0.00 H new ATOM 0 HG CYS A 52 15.682 1.884 3.224 1.00 0.00 H new ATOM 783 N ASP A 53 9.939 2.699 3.777 1.00 0.00 N ATOM 784 CA ASP A 53 8.593 2.340 4.208 1.00 0.00 C ATOM 785 C ASP A 53 8.506 0.853 4.536 1.00 0.00 C ATOM 786 O ASP A 53 9.111 0.021 3.860 1.00 0.00 O ATOM 787 CB ASP A 53 7.576 2.696 3.123 1.00 0.00 C ATOM 788 CG ASP A 53 7.674 4.145 2.690 1.00 0.00 C ATOM 789 OD1 ASP A 53 7.053 5.005 3.348 1.00 0.00 O ATOM 790 OD2 ASP A 53 8.373 4.420 1.691 1.00 0.00 O ATOM 0 H ASP A 53 9.973 3.267 2.931 1.00 0.00 H new ATOM 0 HA ASP A 53 8.363 2.906 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.731 2.050 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.570 2.498 3.493 1.00 0.00 H new ATOM 795 N PHE A 54 7.751 0.526 5.580 1.00 0.00 N ATOM 796 CA PHE A 54 7.587 -0.861 5.999 1.00 0.00 C ATOM 797 C PHE A 54 6.209 -1.083 6.617 1.00 0.00 C ATOM 798 O PHE A 54 5.506 -0.130 6.951 1.00 0.00 O ATOM 799 CB PHE A 54 8.676 -1.245 7.003 1.00 0.00 C ATOM 800 CG PHE A 54 9.969 -1.653 6.358 1.00 0.00 C ATOM 801 CD1 PHE A 54 9.993 -2.641 5.387 1.00 0.00 C ATOM 802 CD2 PHE A 54 11.162 -1.048 6.722 1.00 0.00 C ATOM 803 CE1 PHE A 54 11.182 -3.019 4.792 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.354 -1.422 6.130 1.00 0.00 C ATOM 805 CZ PHE A 54 12.363 -2.408 5.163 1.00 0.00 C ATOM 0 H PHE A 54 7.244 1.202 6.151 1.00 0.00 H new ATOM 0 HA PHE A 54 7.677 -1.494 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.861 -0.401 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.314 -2.065 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.072 -3.121 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.160 -0.276 7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.187 -3.792 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.277 -0.944 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.293 -2.701 4.698 1.00 0.00 H new ATOM 815 N SER A 55 5.830 -2.349 6.765 1.00 0.00 N ATOM 816 CA SER A 55 4.535 -2.697 7.337 1.00 0.00 C ATOM 817 C SER A 55 4.646 -2.901 8.845 1.00 0.00 C ATOM 818 O SER A 55 5.730 -2.807 9.418 1.00 0.00 O ATOM 819 CB SER A 55 3.986 -3.964 6.678 1.00 0.00 C ATOM 820 OG SER A 55 4.316 -4.006 5.301 1.00 0.00 O ATOM 0 H SER A 55 6.402 -3.150 6.497 1.00 0.00 H new ATOM 0 HA SER A 55 3.848 -1.872 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.391 -4.843 7.179 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.903 -4.000 6.797 1.00 0.00 H new ATOM 0 HG SER A 55 3.956 -4.826 4.903 1.00 0.00 H new ATOM 826 N GLY A 56 3.513 -3.183 9.483 1.00 0.00 N ATOM 827 CA GLY A 56 3.503 -3.396 10.918 1.00 0.00 C ATOM 828 C GLY A 56 4.361 -4.574 11.335 1.00 0.00 C ATOM 829 O GLY A 56 5.475 -4.394 11.828 1.00 0.00 O ATOM 0 H GLY A 56 2.603 -3.268 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.859 -2.496 11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.478 -3.561 11.251 1.00 0.00 H new ATOM 833 N GLU A 57 3.842 -5.782 11.139 1.00 0.00 N ATOM 834 CA GLU A 57 4.569 -6.993 11.501 1.00 0.00 C ATOM 835 C GLU A 57 5.909 -7.060 10.775 1.00 0.00 C ATOM 836 O GLU A 57 6.882 -7.606 11.296 1.00 0.00 O ATOM 837 CB GLU A 57 3.735 -8.233 11.171 1.00 0.00 C ATOM 838 CG GLU A 57 4.435 -9.541 11.497 1.00 0.00 C ATOM 839 CD GLU A 57 4.759 -9.677 12.972 1.00 0.00 C ATOM 840 OE1 GLU A 57 3.876 -10.123 13.735 1.00 0.00 O ATOM 841 OE2 GLU A 57 5.896 -9.339 13.364 1.00 0.00 O ATOM 0 H GLU A 57 2.922 -5.948 10.732 1.00 0.00 H new ATOM 0 HA GLU A 57 4.758 -6.966 12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.796 -8.186 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.483 -8.220 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.803 -10.374 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.356 -9.610 10.919 1.00 0.00 H new ATOM 848 N ALA A 58 5.952 -6.503 9.570 1.00 0.00 N ATOM 849 CA ALA A 58 7.172 -6.498 8.773 1.00 0.00 C ATOM 850 C ALA A 58 8.274 -5.701 9.461 1.00 0.00 C ATOM 851 O ALA A 58 9.346 -6.231 9.756 1.00 0.00 O ATOM 852 CB ALA A 58 6.896 -5.933 7.387 1.00 0.00 C ATOM 0 H ALA A 58 5.155 -6.049 9.124 1.00 0.00 H new ATOM 0 HA ALA A 58 7.514 -7.528 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.816 -5.936 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.147 -6.547 6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.527 -4.912 7.477 1.00 0.00 H new ATOM 858 N TYR A 59 8.005 -4.424 9.713 1.00 0.00 N ATOM 859 CA TYR A 59 8.976 -3.553 10.364 1.00 0.00 C ATOM 860 C TYR A 59 9.684 -4.280 11.503 1.00 0.00 C ATOM 861 O TYR A 59 10.899 -4.172 11.663 1.00 0.00 O ATOM 862 CB TYR A 59 8.287 -2.295 10.897 1.00 0.00 C ATOM 863 CG TYR A 59 9.251 -1.203 11.303 1.00 0.00 C ATOM 864 CD1 TYR A 59 10.078 -1.356 12.409 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.333 -0.018 10.582 1.00 0.00 C ATOM 866 CE1 TYR A 59 10.960 -0.360 12.784 1.00 0.00 C ATOM 867 CE2 TYR A 59 10.212 0.982 10.949 1.00 0.00 C ATOM 868 CZ TYR A 59 11.023 0.806 12.051 1.00 0.00 C ATOM 869 OH TYR A 59 11.899 1.801 12.420 1.00 0.00 O ATOM 0 H TYR A 59 7.123 -3.970 9.476 1.00 0.00 H new ATOM 0 HA TYR A 59 9.722 -3.265 9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.614 -1.908 10.132 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.673 -2.564 11.756 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.031 -2.268 12.985 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.698 0.123 9.720 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.596 -0.494 13.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.264 1.896 10.377 1.00 0.00 H new ATOM 0 HH TYR A 59 12.683 1.403 12.853 1.00 0.00 H new ATOM 879 N GLU A 60 8.912 -5.022 12.292 1.00 0.00 N ATOM 880 CA GLU A 60 9.465 -5.767 13.417 1.00 0.00 C ATOM 881 C GLU A 60 10.588 -6.693 12.958 1.00 0.00 C ATOM 882 O GLU A 60 11.600 -6.845 13.642 1.00 0.00 O ATOM 883 CB GLU A 60 8.368 -6.582 14.106 1.00 0.00 C ATOM 884 CG GLU A 60 7.553 -5.782 15.108 1.00 0.00 C ATOM 885 CD GLU A 60 6.960 -6.648 16.202 1.00 0.00 C ATOM 886 OE1 GLU A 60 7.702 -7.480 16.767 1.00 0.00 O ATOM 887 OE2 GLU A 60 5.756 -6.495 16.494 1.00 0.00 O ATOM 0 H GLU A 60 7.904 -5.123 12.173 1.00 0.00 H new ATOM 0 HA GLU A 60 9.876 -5.050 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.699 -6.988 13.348 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.824 -7.431 14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.186 -5.018 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.750 -5.263 14.585 1.00 0.00 H new ATOM 894 N SER A 61 10.401 -7.308 11.795 1.00 0.00 N ATOM 895 CA SER A 61 11.396 -8.222 11.245 1.00 0.00 C ATOM 896 C SER A 61 12.577 -7.452 10.661 1.00 0.00 C ATOM 897 O SER A 61 13.676 -7.989 10.522 1.00 0.00 O ATOM 898 CB SER A 61 10.766 -9.107 10.168 1.00 0.00 C ATOM 899 OG SER A 61 9.486 -9.563 10.567 1.00 0.00 O ATOM 0 H SER A 61 9.570 -7.190 11.215 1.00 0.00 H new ATOM 0 HA SER A 61 11.761 -8.853 12.055 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.682 -8.547 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.414 -9.961 9.970 1.00 0.00 H new ATOM 0 HG SER A 61 9.104 -10.125 9.861 1.00 0.00 H new ATOM 905 N HIS A 62 12.341 -6.189 10.319 1.00 0.00 N ATOM 906 CA HIS A 62 13.384 -5.343 9.750 1.00 0.00 C ATOM 907 C HIS A 62 14.348 -4.867 10.832 1.00 0.00 C ATOM 908 O HIS A 62 15.552 -4.760 10.600 1.00 0.00 O ATOM 909 CB HIS A 62 12.763 -4.141 9.038 1.00 0.00 C ATOM 910 CG HIS A 62 13.757 -3.312 8.284 1.00 0.00 C ATOM 911 ND1 HIS A 62 14.350 -3.730 7.111 1.00 0.00 N ATOM 912 CD2 HIS A 62 14.261 -2.083 8.541 1.00 0.00 C ATOM 913 CE1 HIS A 62 15.177 -2.794 6.680 1.00 0.00 C ATOM 914 NE2 HIS A 62 15.141 -1.783 7.530 1.00 0.00 N ATOM 0 H HIS A 62 11.437 -5.729 10.426 1.00 0.00 H new ATOM 0 HA HIS A 62 13.943 -5.935 9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.998 -4.494 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.262 -3.512 9.774 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.017 -1.454 9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.780 -2.846 5.785 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.679 -0.920 7.449 1.00 0.00 H new ATOM 922 N GLU A 63 13.810 -4.582 12.013 1.00 0.00 N ATOM 923 CA GLU A 63 14.623 -4.115 13.130 1.00 0.00 C ATOM 924 C GLU A 63 15.718 -5.124 13.465 1.00 0.00 C ATOM 925 O GLU A 63 15.445 -6.198 13.999 1.00 0.00 O ATOM 926 CB GLU A 63 13.747 -3.869 14.360 1.00 0.00 C ATOM 927 CG GLU A 63 12.684 -2.805 14.148 1.00 0.00 C ATOM 928 CD GLU A 63 11.762 -2.654 15.342 1.00 0.00 C ATOM 929 OE1 GLU A 63 12.273 -2.513 16.473 1.00 0.00 O ATOM 930 OE2 GLU A 63 10.529 -2.678 15.145 1.00 0.00 O ATOM 0 H GLU A 63 12.815 -4.666 12.221 1.00 0.00 H new ATOM 0 HA GLU A 63 15.094 -3.177 12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.262 -4.803 14.643 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.383 -3.574 15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.167 -1.850 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.093 -3.058 13.267 1.00 0.00 H new ATOM 937 N GLY A 64 16.959 -4.770 13.145 1.00 0.00 N ATOM 938 CA GLY A 64 18.076 -5.655 13.418 1.00 0.00 C ATOM 939 C GLY A 64 18.808 -6.071 12.158 1.00 0.00 C ATOM 940 O GLY A 64 20.034 -6.183 12.152 1.00 0.00 O ATOM 0 H GLY A 64 17.210 -3.886 12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.773 -5.157 14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.713 -6.544 13.934 1.00 0.00 H new ATOM 944 N MET A 65 18.055 -6.302 11.087 1.00 0.00 N ATOM 945 CA MET A 65 18.641 -6.709 9.815 1.00 0.00 C ATOM 946 C MET A 65 18.582 -5.571 8.801 1.00 0.00 C ATOM 947 O MET A 65 18.598 -5.801 7.592 1.00 0.00 O ATOM 948 CB MET A 65 17.913 -7.936 9.264 1.00 0.00 C ATOM 949 CG MET A 65 17.755 -9.056 10.280 1.00 0.00 C ATOM 950 SD MET A 65 17.142 -10.583 9.541 1.00 0.00 S ATOM 951 CE MET A 65 18.671 -11.318 8.966 1.00 0.00 C ATOM 0 H MET A 65 17.039 -6.214 11.075 1.00 0.00 H new ATOM 0 HA MET A 65 19.686 -6.963 9.989 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.927 -7.635 8.911 1.00 0.00 H new ATOM 0 HB3 MET A 65 18.459 -8.315 8.400 1.00 0.00 H new ATOM 0 HG2 MET A 65 18.717 -9.248 10.756 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.069 -8.736 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.457 -12.272 8.484 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.150 -10.649 8.251 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.338 -11.481 9.813 1.00 0.00 H new ATOM 961 N CYS A 66 18.513 -4.341 9.301 1.00 0.00 N ATOM 962 CA CYS A 66 18.451 -3.167 8.440 1.00 0.00 C ATOM 963 C CYS A 66 19.720 -3.040 7.601 1.00 0.00 C ATOM 964 O CYS A 66 20.834 -3.248 8.081 1.00 0.00 O ATOM 965 CB CYS A 66 18.253 -1.903 9.279 1.00 0.00 C ATOM 966 SG CYS A 66 18.401 -0.353 8.334 1.00 0.00 S ATOM 0 H CYS A 66 18.499 -4.132 10.299 1.00 0.00 H new ATOM 0 HA CYS A 66 17.602 -3.285 7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.268 -1.939 9.745 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.987 -1.896 10.085 1.00 0.00 H new ATOM 0 HG CYS A 66 17.310 0.341 8.466 1.00 0.00 H new ATOM 971 N PRO A 67 19.548 -2.690 6.318 1.00 0.00 N ATOM 972 CA PRO A 67 20.667 -2.526 5.385 1.00 0.00 C ATOM 973 C PRO A 67 21.516 -1.301 5.708 1.00 0.00 C ATOM 974 O PRO A 67 22.731 -1.309 5.514 1.00 0.00 O ATOM 975 CB PRO A 67 19.977 -2.356 4.030 1.00 0.00 C ATOM 976 CG PRO A 67 18.627 -1.818 4.356 1.00 0.00 C ATOM 977 CD PRO A 67 18.248 -2.426 5.679 1.00 0.00 C ATOM 0 HA PRO A 67 21.357 -3.369 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.531 -1.672 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.907 -3.306 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.645 -0.730 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.905 -2.082 3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.639 -1.746 6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.670 -3.341 5.550 1.00 0.00 H new ATOM 985 N GLN A 68 20.868 -0.251 6.202 1.00 0.00 N ATOM 986 CA GLN A 68 21.565 0.981 6.551 1.00 0.00 C ATOM 987 C GLN A 68 21.284 1.375 7.997 1.00 0.00 C ATOM 988 O GLN A 68 20.461 2.251 8.263 1.00 0.00 O ATOM 989 CB GLN A 68 21.146 2.113 5.611 1.00 0.00 C ATOM 990 CG GLN A 68 21.979 2.190 4.342 1.00 0.00 C ATOM 991 CD GLN A 68 23.367 2.747 4.587 1.00 0.00 C ATOM 992 OE1 GLN A 68 24.313 2.000 4.840 1.00 0.00 O ATOM 993 NE2 GLN A 68 23.497 4.066 4.514 1.00 0.00 N ATOM 0 H GLN A 68 19.862 -0.229 6.369 1.00 0.00 H new ATOM 0 HA GLN A 68 22.635 0.806 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 68 20.098 1.980 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 68 21.220 3.062 6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 68 22.063 1.194 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 68 21.465 2.815 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 68 22.686 4.647 4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 68 24.408 4.498 4.670 1.00 0.00 H new ATOM 1002 N GLU A 69 21.972 0.721 8.928 1.00 0.00 N ATOM 1003 CA GLU A 69 21.794 1.003 10.348 1.00 0.00 C ATOM 1004 C GLU A 69 22.592 2.236 10.761 1.00 0.00 C ATOM 1005 O GLU A 69 22.586 2.630 11.928 1.00 0.00 O ATOM 1006 CB GLU A 69 22.225 -0.202 11.187 1.00 0.00 C ATOM 1007 CG GLU A 69 21.105 -1.195 11.445 1.00 0.00 C ATOM 1008 CD GLU A 69 21.358 -2.055 12.668 1.00 0.00 C ATOM 1009 OE1 GLU A 69 22.322 -1.767 13.408 1.00 0.00 O ATOM 1010 OE2 GLU A 69 20.591 -3.017 12.886 1.00 0.00 O ATOM 0 H GLU A 69 22.657 -0.007 8.725 1.00 0.00 H new ATOM 0 HA GLU A 69 20.737 1.200 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.043 -0.713 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.613 0.151 12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.167 -0.654 11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.986 -1.837 10.572 1.00 0.00 H new