USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 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 61 SER OG : rot 180:sc=-0.00907 USER MOD Set 1.2: A 65 MET CE :methyl -110:sc= -0.0505 (180deg=-0.686) USER MOD Set 2.1: A 47 CYS SG : rot 80:sc=-0.00872 USER MOD Set 2.2: A 50 CYS SG : rot -60:sc= -0.923 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -2.6! X(o=-5.5!,f=-5.3) USER MOD Set 2.4: A 66 CYS SG : rot 115:sc= -1.96 USER MOD Set 3.1: A 37 GLN : amide:sc= 0 K(o=-2.3,f=-0.88) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-0.87) USER MOD Set 4.1: A 19 CYS SG : rot -164:sc= -6.38! USER MOD Set 4.2: A 21 ASN : amide:sc= -7.63! C(o=-21!,f=-21!) USER MOD Set 4.3: A 23 CYS SG : rot 3:sc= -0.984 USER MOD Set 4.4: A 35 HIS : no HD1:sc= -4.53! C(o=-21!,f=-20!) USER MOD Set 4.5: A 40 CYS SG : rot 51:sc= -1.12 USER MOD Single : A 25 MET CE :methyl -133:sc= -1.26 (180deg=-2.98!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.297) USER MOD Single : A 28 SER OG : rot 180:sc= -0.706! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 137:sc= -0.79 (180deg=-2.62!) USER MOD Single : A 52 CYS SG : rot 68:sc= 0.28 USER MOD Single : A 55 SER OG : rot 180:sc= -0.113 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.563 1.952 9.601 1.00 0.00 N ATOM 203 CA ILE A 17 -16.029 3.284 9.857 1.00 0.00 C ATOM 204 C ILE A 17 -14.759 3.531 9.050 1.00 0.00 C ATOM 205 O ILE A 17 -13.990 2.615 8.758 1.00 0.00 O ATOM 206 CB ILE A 17 -15.722 3.490 11.352 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.844 2.352 11.876 1.00 0.00 C ATOM 208 CG2 ILE A 17 -17.014 3.580 12.150 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.475 2.497 13.336 1.00 0.00 C ATOM 0 HA ILE A 17 -16.796 3.996 9.551 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.178 4.427 11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.366 1.406 11.734 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.931 2.305 11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.781 3.726 13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.606 4.421 11.790 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.582 2.658 12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.852 1.655 13.639 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.925 3.427 13.482 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.382 2.514 13.941 1.00 0.00 H new ATOM 221 N PRO A 18 -14.531 4.800 8.680 1.00 0.00 N ATOM 222 CA PRO A 18 -13.354 5.199 7.903 1.00 0.00 C ATOM 223 C PRO A 18 -12.065 5.100 8.712 1.00 0.00 C ATOM 224 O PRO A 18 -12.093 5.073 9.943 1.00 0.00 O ATOM 225 CB PRO A 18 -13.646 6.657 7.539 1.00 0.00 C ATOM 226 CG PRO A 18 -14.573 7.134 8.603 1.00 0.00 C ATOM 227 CD PRO A 18 -15.405 5.944 8.992 1.00 0.00 C ATOM 0 HA PRO A 18 -13.198 4.553 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.732 7.250 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.102 6.735 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.019 7.519 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.201 7.947 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.673 5.969 10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.337 5.903 8.428 1.00 0.00 H new ATOM 235 N CYS A 19 -10.936 5.046 8.013 1.00 0.00 N ATOM 236 CA CYS A 19 -9.636 4.950 8.666 1.00 0.00 C ATOM 237 C CYS A 19 -9.160 6.322 9.136 1.00 0.00 C ATOM 238 O CYS A 19 -9.244 7.316 8.414 1.00 0.00 O ATOM 239 CB CYS A 19 -8.607 4.340 7.713 1.00 0.00 C ATOM 240 SG CYS A 19 -6.981 4.028 8.473 1.00 0.00 S ATOM 0 H CYS A 19 -10.895 5.067 6.994 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.742 4.304 9.537 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.000 3.401 7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.476 5.008 6.862 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.095 3.838 7.540 1.00 0.00 H new ATOM 245 N PRO A 20 -8.648 6.379 10.374 1.00 0.00 N ATOM 246 CA PRO A 20 -8.148 7.622 10.967 1.00 0.00 C ATOM 247 C PRO A 20 -6.860 8.103 10.307 1.00 0.00 C ATOM 248 O PRO A 20 -6.458 9.254 10.474 1.00 0.00 O ATOM 249 CB PRO A 20 -7.889 7.240 12.427 1.00 0.00 C ATOM 250 CG PRO A 20 -7.652 5.769 12.397 1.00 0.00 C ATOM 251 CD PRO A 20 -8.516 5.233 11.290 1.00 0.00 C ATOM 0 HA PRO A 20 -8.854 8.443 10.845 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.026 7.772 12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.741 7.491 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.601 5.547 12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.913 5.312 13.352 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.054 4.377 10.798 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.486 4.902 11.662 1.00 0.00 H new ATOM 259 N ASN A 21 -6.218 7.214 9.556 1.00 0.00 N ATOM 260 CA ASN A 21 -4.975 7.548 8.870 1.00 0.00 C ATOM 261 C ASN A 21 -5.243 8.442 7.663 1.00 0.00 C ATOM 262 O ASN A 21 -4.314 8.949 7.035 1.00 0.00 O ATOM 263 CB ASN A 21 -4.255 6.274 8.425 1.00 0.00 C ATOM 264 CG ASN A 21 -3.811 5.421 9.598 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.394 5.483 10.680 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.774 4.618 9.387 1.00 0.00 N ATOM 0 H ASN A 21 -6.538 6.257 9.407 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.339 8.092 9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.917 5.691 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.386 6.542 7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.431 4.020 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.321 4.599 8.473 1.00 0.00 H new ATOM 273 N ARG A 22 -6.520 8.631 7.346 1.00 0.00 N ATOM 274 CA ARG A 22 -6.911 9.463 6.215 1.00 0.00 C ATOM 275 C ARG A 22 -6.801 8.687 4.905 1.00 0.00 C ATOM 276 O ARG A 22 -6.759 9.275 3.824 1.00 0.00 O ATOM 277 CB ARG A 22 -6.038 10.718 6.151 1.00 0.00 C ATOM 278 CG ARG A 22 -4.971 10.663 5.070 1.00 0.00 C ATOM 279 CD ARG A 22 -3.799 11.574 5.398 1.00 0.00 C ATOM 280 NE ARG A 22 -3.289 11.347 6.747 1.00 0.00 N ATOM 281 CZ ARG A 22 -2.337 12.084 7.308 1.00 0.00 C ATOM 282 NH1 ARG A 22 -1.794 13.092 6.638 1.00 0.00 N ATOM 283 NH2 ARG A 22 -1.927 11.815 8.541 1.00 0.00 N ATOM 0 H ARG A 22 -7.301 8.219 7.857 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.951 9.759 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.675 11.585 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.557 10.865 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.617 9.638 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.405 10.956 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.999 11.410 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.110 12.614 5.298 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.686 10.579 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.107 13.302 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.063 13.657 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.343 11.041 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.196 12.382 8.970 1.00 0.00 H new ATOM 297 N CYS A 23 -6.753 7.363 5.011 1.00 0.00 N ATOM 298 CA CYS A 23 -6.647 6.506 3.836 1.00 0.00 C ATOM 299 C CYS A 23 -8.028 6.083 3.345 1.00 0.00 C ATOM 300 O CYS A 23 -8.927 5.777 4.129 1.00 0.00 O ATOM 301 CB CYS A 23 -5.807 5.268 4.158 1.00 0.00 C ATOM 302 SG CYS A 23 -6.764 3.876 4.838 1.00 0.00 S ATOM 0 H CYS A 23 -6.786 6.861 5.898 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.158 7.074 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.302 4.939 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.031 5.544 4.872 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.025 4.192 4.872 1.00 0.00 H new ATOM 307 N PRO A 24 -8.203 6.065 2.015 1.00 0.00 N ATOM 308 CA PRO A 24 -9.471 5.680 1.388 1.00 0.00 C ATOM 309 C PRO A 24 -9.769 4.193 1.546 1.00 0.00 C ATOM 310 O PRO A 24 -9.825 3.454 0.564 1.00 0.00 O ATOM 311 CB PRO A 24 -9.258 6.029 -0.087 1.00 0.00 C ATOM 312 CG PRO A 24 -7.782 5.970 -0.280 1.00 0.00 C ATOM 313 CD PRO A 24 -7.175 6.417 1.021 1.00 0.00 C ATOM 0 HA PRO A 24 -10.321 6.189 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.771 5.322 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.649 7.020 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.462 4.959 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.470 6.618 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.232 5.908 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.966 7.487 1.020 1.00 0.00 H new ATOM 321 N MET A 25 -9.959 3.761 2.789 1.00 0.00 N ATOM 322 CA MET A 25 -10.252 2.361 3.074 1.00 0.00 C ATOM 323 C MET A 25 -11.020 2.223 4.385 1.00 0.00 C ATOM 324 O MET A 25 -10.688 2.867 5.381 1.00 0.00 O ATOM 325 CB MET A 25 -8.957 1.550 3.139 1.00 0.00 C ATOM 326 CG MET A 25 -8.599 0.870 1.828 1.00 0.00 C ATOM 327 SD MET A 25 -9.325 -0.774 1.677 1.00 0.00 S ATOM 328 CE MET A 25 -8.715 -1.551 3.171 1.00 0.00 C ATOM 0 H MET A 25 -9.915 4.360 3.614 1.00 0.00 H new ATOM 0 HA MET A 25 -10.874 1.973 2.267 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.140 2.209 3.432 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.051 0.793 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.937 1.490 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.515 0.793 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.314 -2.536 2.931 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.928 -0.935 3.606 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.531 -1.655 3.886 1.00 0.00 H new ATOM 338 N LYS A 26 -12.047 1.380 4.378 1.00 0.00 N ATOM 339 CA LYS A 26 -12.861 1.157 5.567 1.00 0.00 C ATOM 340 C LYS A 26 -12.801 -0.305 6.001 1.00 0.00 C ATOM 341 O LYS A 26 -12.880 -1.213 5.172 1.00 0.00 O ATOM 342 CB LYS A 26 -14.313 1.560 5.299 1.00 0.00 C ATOM 343 CG LYS A 26 -14.556 3.056 5.398 1.00 0.00 C ATOM 344 CD LYS A 26 -15.706 3.495 4.507 1.00 0.00 C ATOM 345 CE LYS A 26 -15.964 4.989 4.623 1.00 0.00 C ATOM 346 NZ LYS A 26 -16.809 5.316 5.805 1.00 0.00 N ATOM 0 H LYS A 26 -12.335 0.840 3.562 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.461 1.774 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.598 1.219 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.961 1.047 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.774 3.322 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.650 3.592 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.481 3.243 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.608 2.947 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.013 5.517 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.454 5.344 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.702 6.323 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.806 5.116 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.510 4.737 6.616 1.00 0.00 H new ATOM 360 N LEU A 27 -12.661 -0.525 7.303 1.00 0.00 N ATOM 361 CA LEU A 27 -12.592 -1.877 7.847 1.00 0.00 C ATOM 362 C LEU A 27 -13.714 -2.117 8.852 1.00 0.00 C ATOM 363 O LEU A 27 -14.659 -2.856 8.577 1.00 0.00 O ATOM 364 CB LEU A 27 -11.235 -2.110 8.514 1.00 0.00 C ATOM 365 CG LEU A 27 -10.060 -1.318 7.940 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.178 -1.208 6.428 1.00 0.00 C ATOM 367 CD2 LEU A 27 -9.988 0.064 8.574 1.00 0.00 C ATOM 0 H LEU A 27 -12.593 0.215 8.002 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.711 -2.581 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.327 -1.869 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.998 -3.172 8.448 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.138 -1.851 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.333 -0.641 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.179 -2.206 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.107 -0.698 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.146 0.614 8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.912 0.606 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.854 -0.036 9.651 1.00 0.00 H new ATOM 379 N SER A 28 -13.603 -1.487 10.017 1.00 0.00 N ATOM 380 CA SER A 28 -14.607 -1.634 11.064 1.00 0.00 C ATOM 381 C SER A 28 -14.025 -1.278 12.429 1.00 0.00 C ATOM 382 O SER A 28 -12.832 -1.004 12.555 1.00 0.00 O ATOM 383 CB SER A 28 -15.148 -3.065 11.085 1.00 0.00 C ATOM 384 OG SER A 28 -15.479 -3.466 12.403 1.00 0.00 O ATOM 0 H SER A 28 -12.828 -0.870 10.260 1.00 0.00 H new ATOM 0 HA SER A 28 -15.425 -0.947 10.847 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.030 -3.133 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.403 -3.745 10.671 1.00 0.00 H new ATOM 0 HG SER A 28 -15.824 -4.383 12.389 1.00 0.00 H new ATOM 390 N ARG A 29 -14.877 -1.285 13.449 1.00 0.00 N ATOM 391 CA ARG A 29 -14.449 -0.962 14.804 1.00 0.00 C ATOM 392 C ARG A 29 -13.743 -2.151 15.449 1.00 0.00 C ATOM 393 O ARG A 29 -13.478 -2.150 16.651 1.00 0.00 O ATOM 394 CB ARG A 29 -15.650 -0.545 15.656 1.00 0.00 C ATOM 395 CG ARG A 29 -16.352 0.704 15.148 1.00 0.00 C ATOM 396 CD ARG A 29 -17.854 0.630 15.376 1.00 0.00 C ATOM 397 NE ARG A 29 -18.209 0.881 16.770 1.00 0.00 N ATOM 398 CZ ARG A 29 -18.076 2.064 17.361 1.00 0.00 C ATOM 399 NH1 ARG A 29 -17.598 3.098 16.682 1.00 0.00 N ATOM 400 NH2 ARG A 29 -18.421 2.214 18.633 1.00 0.00 N ATOM 0 H ARG A 29 -15.868 -1.511 13.362 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.746 -0.131 14.747 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.366 -1.367 15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.317 -0.374 16.680 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.949 1.581 15.654 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.150 0.829 14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.354 1.359 14.738 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.217 -0.354 15.081 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.579 0.106 17.320 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.331 2.986 15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.497 4.005 17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.789 1.421 19.159 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.318 3.122 19.086 1.00 0.00 H new ATOM 414 N ARG A 30 -13.443 -3.163 14.642 1.00 0.00 N ATOM 415 CA ARG A 30 -12.769 -4.359 15.134 1.00 0.00 C ATOM 416 C ARG A 30 -11.423 -4.548 14.442 1.00 0.00 C ATOM 417 O ARG A 30 -10.411 -4.810 15.092 1.00 0.00 O ATOM 418 CB ARG A 30 -13.647 -5.592 14.912 1.00 0.00 C ATOM 419 CG ARG A 30 -14.648 -5.836 16.030 1.00 0.00 C ATOM 420 CD ARG A 30 -13.990 -6.488 17.235 1.00 0.00 C ATOM 421 NE ARG A 30 -13.237 -5.526 18.035 1.00 0.00 N ATOM 422 CZ ARG A 30 -13.800 -4.681 18.891 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.115 -4.680 19.059 1.00 0.00 N ATOM 424 NH2 ARG A 30 -13.047 -3.835 19.583 1.00 0.00 N ATOM 0 H ARG A 30 -13.656 -3.179 13.645 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.594 -4.234 16.202 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.186 -5.479 13.971 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.008 -6.469 14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.099 -4.890 16.328 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.454 -6.473 15.665 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.754 -6.956 17.856 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.322 -7.281 16.898 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.223 -5.502 17.931 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.697 -5.329 18.530 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.545 -4.030 19.717 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.035 -3.833 19.458 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.481 -3.186 20.240 1.00 0.00 H new ATOM 438 N ASP A 31 -11.420 -4.415 13.120 1.00 0.00 N ATOM 439 CA ASP A 31 -10.198 -4.572 12.339 1.00 0.00 C ATOM 440 C ASP A 31 -9.470 -3.239 12.197 1.00 0.00 C ATOM 441 O ASP A 31 -8.525 -3.115 11.417 1.00 0.00 O ATOM 442 CB ASP A 31 -10.520 -5.140 10.956 1.00 0.00 C ATOM 443 CG ASP A 31 -11.018 -6.571 11.020 1.00 0.00 C ATOM 444 OD1 ASP A 31 -10.535 -7.328 11.887 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.890 -6.933 10.202 1.00 0.00 O ATOM 0 H ASP A 31 -12.249 -4.199 12.567 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.546 -5.268 12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.275 -4.517 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.628 -5.096 10.332 1.00 0.00 H new ATOM 450 N LEU A 32 -9.915 -2.243 12.956 1.00 0.00 N ATOM 451 CA LEU A 32 -9.307 -0.918 12.914 1.00 0.00 C ATOM 452 C LEU A 32 -7.869 -0.963 13.423 1.00 0.00 C ATOM 453 O LEU A 32 -6.943 -0.461 12.785 1.00 0.00 O ATOM 454 CB LEU A 32 -10.125 0.067 13.751 1.00 0.00 C ATOM 455 CG LEU A 32 -10.123 1.518 13.271 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.293 1.581 11.761 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.220 2.312 13.966 1.00 0.00 C ATOM 0 H LEU A 32 -10.695 -2.328 13.608 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.296 -0.583 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.157 -0.283 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.749 0.043 14.774 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.162 1.963 13.527 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.289 2.622 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.473 1.049 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.239 1.118 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.203 3.343 13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.189 1.867 13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.054 2.296 15.043 1.00 0.00 H new ATOM 469 N PRO A 33 -7.676 -1.581 14.598 1.00 0.00 N ATOM 470 CA PRO A 33 -6.353 -1.708 15.217 1.00 0.00 C ATOM 471 C PRO A 33 -5.446 -2.667 14.452 1.00 0.00 C ATOM 472 O PRO A 33 -4.222 -2.539 14.488 1.00 0.00 O ATOM 473 CB PRO A 33 -6.665 -2.263 16.609 1.00 0.00 C ATOM 474 CG PRO A 33 -7.966 -2.971 16.452 1.00 0.00 C ATOM 475 CD PRO A 33 -8.734 -2.202 15.412 1.00 0.00 C ATOM 0 HA PRO A 33 -5.816 -0.759 15.232 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.883 -2.942 16.949 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.736 -1.464 17.347 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.813 -4.004 16.139 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.510 -3.001 17.396 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.368 -2.857 14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.385 -1.454 15.864 1.00 0.00 H new ATOM 483 N ALA A 34 -6.054 -3.625 13.761 1.00 0.00 N ATOM 484 CA ALA A 34 -5.300 -4.603 12.986 1.00 0.00 C ATOM 485 C ALA A 34 -4.977 -4.070 11.594 1.00 0.00 C ATOM 486 O ALA A 34 -4.026 -4.516 10.952 1.00 0.00 O ATOM 487 CB ALA A 34 -6.076 -5.908 12.886 1.00 0.00 C ATOM 0 H ALA A 34 -7.066 -3.745 13.722 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.358 -4.791 13.502 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.502 -6.629 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.251 -6.305 13.886 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.032 -5.726 12.395 1.00 0.00 H new ATOM 493 N HIS A 35 -5.775 -3.112 11.133 1.00 0.00 N ATOM 494 CA HIS A 35 -5.574 -2.518 9.816 1.00 0.00 C ATOM 495 C HIS A 35 -4.491 -1.444 9.864 1.00 0.00 C ATOM 496 O HIS A 35 -3.716 -1.286 8.920 1.00 0.00 O ATOM 497 CB HIS A 35 -6.882 -1.917 9.299 1.00 0.00 C ATOM 498 CG HIS A 35 -6.688 -0.909 8.208 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.507 -1.256 6.886 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.648 0.444 8.250 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.363 -0.160 6.162 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.445 0.885 6.965 1.00 0.00 N ATOM 0 H HIS A 35 -6.566 -2.731 11.652 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.251 -3.305 9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.521 -2.720 8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.409 -1.445 10.129 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.756 1.061 9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.205 -0.125 5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.370 1.861 6.678 1.00 0.00 H new ATOM 510 N LEU A 36 -4.444 -0.708 10.969 1.00 0.00 N ATOM 511 CA LEU A 36 -3.456 0.352 11.141 1.00 0.00 C ATOM 512 C LEU A 36 -2.108 -0.223 11.562 1.00 0.00 C ATOM 513 O LEU A 36 -1.177 0.518 11.874 1.00 0.00 O ATOM 514 CB LEU A 36 -3.940 1.363 12.181 1.00 0.00 C ATOM 515 CG LEU A 36 -5.280 2.038 11.890 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.762 2.816 13.104 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.165 2.953 10.679 1.00 0.00 C ATOM 0 H LEU A 36 -5.078 -0.826 11.759 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.331 0.857 10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.013 0.857 13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.181 2.138 12.285 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.013 1.263 11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.717 3.289 12.877 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.885 2.136 13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.030 3.582 13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.129 3.425 10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.417 3.722 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.867 2.369 9.808 1.00 0.00 H new ATOM 529 N GLN A 37 -2.011 -1.549 11.566 1.00 0.00 N ATOM 530 CA GLN A 37 -0.775 -2.223 11.947 1.00 0.00 C ATOM 531 C GLN A 37 0.065 -2.557 10.718 1.00 0.00 C ATOM 532 O GLN A 37 1.210 -2.122 10.600 1.00 0.00 O ATOM 533 CB GLN A 37 -1.087 -3.500 12.729 1.00 0.00 C ATOM 534 CG GLN A 37 0.116 -4.412 12.908 1.00 0.00 C ATOM 535 CD GLN A 37 -0.095 -5.451 13.992 1.00 0.00 C ATOM 536 OE1 GLN A 37 -0.589 -6.548 13.728 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.278 -5.111 15.220 1.00 0.00 N ATOM 0 H GLN A 37 -2.773 -2.177 11.310 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.203 -1.547 12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.477 -3.229 13.710 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.875 -4.049 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.329 -4.915 11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.991 -3.809 13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.683 -4.191 15.394 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.159 -5.770 15.990 1.00 0.00 H new ATOM 546 N HIS A 38 -0.513 -3.332 9.806 1.00 0.00 N ATOM 547 CA HIS A 38 0.183 -3.724 8.585 1.00 0.00 C ATOM 548 C HIS A 38 -0.803 -3.924 7.438 1.00 0.00 C ATOM 549 O HIS A 38 -0.565 -4.724 6.534 1.00 0.00 O ATOM 550 CB HIS A 38 0.980 -5.008 8.817 1.00 0.00 C ATOM 551 CG HIS A 38 0.141 -6.158 9.282 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.305 -7.446 8.816 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.873 -6.209 10.177 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.573 -8.239 9.404 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.299 -7.513 10.235 1.00 0.00 N ATOM 0 H HIS A 38 -1.460 -3.701 9.889 1.00 0.00 H new ATOM 0 HA HIS A 38 0.870 -2.922 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.482 -5.287 7.891 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.758 -4.815 9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.273 -5.379 10.740 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.679 -9.300 9.234 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.054 -7.864 10.824 1.00 0.00 H new ATOM 563 N ASP A 39 -1.911 -3.192 7.482 1.00 0.00 N ATOM 564 CA ASP A 39 -2.933 -3.288 6.447 1.00 0.00 C ATOM 565 C ASP A 39 -3.224 -1.919 5.841 1.00 0.00 C ATOM 566 O ASP A 39 -3.718 -1.817 4.717 1.00 0.00 O ATOM 567 CB ASP A 39 -4.217 -3.888 7.022 1.00 0.00 C ATOM 568 CG ASP A 39 -4.838 -4.919 6.101 1.00 0.00 C ATOM 569 OD1 ASP A 39 -4.079 -5.680 5.464 1.00 0.00 O ATOM 570 OD2 ASP A 39 -6.083 -4.966 6.017 1.00 0.00 O ATOM 0 H ASP A 39 -2.124 -2.525 8.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.557 -3.941 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.999 -4.350 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.936 -3.090 7.207 1.00 0.00 H new ATOM 575 N CYS A 40 -2.914 -0.867 6.592 1.00 0.00 N ATOM 576 CA CYS A 40 -3.143 0.497 6.130 1.00 0.00 C ATOM 577 C CYS A 40 -2.115 0.893 5.074 1.00 0.00 C ATOM 578 O CYS A 40 -0.907 0.739 5.259 1.00 0.00 O ATOM 579 CB CYS A 40 -3.083 1.472 7.307 1.00 0.00 C ATOM 580 SG CYS A 40 -3.603 3.169 6.894 1.00 0.00 S ATOM 0 H CYS A 40 -2.503 -0.933 7.523 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.135 0.541 5.680 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.716 1.095 8.110 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.063 1.499 7.691 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.751 3.135 6.285 1.00 0.00 H new ATOM 585 N PRO A 41 -2.603 1.417 3.940 1.00 0.00 N ATOM 586 CA PRO A 41 -1.744 1.848 2.833 1.00 0.00 C ATOM 587 C PRO A 41 -0.937 3.094 3.177 1.00 0.00 C ATOM 588 O PRO A 41 0.272 3.147 2.948 1.00 0.00 O ATOM 589 CB PRO A 41 -2.739 2.148 1.709 1.00 0.00 C ATOM 590 CG PRO A 41 -4.013 2.474 2.408 1.00 0.00 C ATOM 591 CD PRO A 41 -4.031 1.630 3.652 1.00 0.00 C ATOM 0 HA PRO A 41 -1.002 1.092 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.401 2.981 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.859 1.290 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.062 3.534 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.873 2.254 1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.536 2.137 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.553 0.687 3.490 1.00 0.00 H new ATOM 599 N LYS A 42 -1.612 4.098 3.727 1.00 0.00 N ATOM 600 CA LYS A 42 -0.957 5.345 4.104 1.00 0.00 C ATOM 601 C LYS A 42 -0.276 5.213 5.463 1.00 0.00 C ATOM 602 O LYS A 42 0.049 6.212 6.104 1.00 0.00 O ATOM 603 CB LYS A 42 -1.974 6.488 4.141 1.00 0.00 C ATOM 604 CG LYS A 42 -2.886 6.530 2.927 1.00 0.00 C ATOM 605 CD LYS A 42 -2.319 7.419 1.834 1.00 0.00 C ATOM 606 CE LYS A 42 -3.187 7.390 0.585 1.00 0.00 C ATOM 607 NZ LYS A 42 -2.803 6.281 -0.332 1.00 0.00 N ATOM 0 H LYS A 42 -2.613 4.072 3.922 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.196 5.567 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.583 6.392 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.441 7.435 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.025 5.520 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.869 6.897 3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.241 8.443 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.310 7.092 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.233 7.278 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.100 8.342 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.418 6.295 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.813 6.401 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.910 5.371 0.160 1.00 0.00 H new ATOM 621 N ARG A 43 -0.062 3.974 5.894 1.00 0.00 N ATOM 622 CA ARG A 43 0.581 3.712 7.176 1.00 0.00 C ATOM 623 C ARG A 43 1.704 4.712 7.436 1.00 0.00 C ATOM 624 O ARG A 43 2.041 4.997 8.585 1.00 0.00 O ATOM 625 CB ARG A 43 1.135 2.286 7.211 1.00 0.00 C ATOM 626 CG ARG A 43 1.831 1.872 5.925 1.00 0.00 C ATOM 627 CD ARG A 43 2.029 0.366 5.860 1.00 0.00 C ATOM 628 NE ARG A 43 3.199 0.001 5.065 1.00 0.00 N ATOM 629 CZ ARG A 43 3.480 -1.244 4.699 1.00 0.00 C ATOM 630 NH1 ARG A 43 2.680 -2.240 5.054 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.564 -1.496 3.976 1.00 0.00 N ATOM 0 H ARG A 43 -0.324 3.136 5.374 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.169 3.823 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.838 2.199 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.318 1.593 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.241 2.200 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.798 2.371 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.140 -0.029 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.141 -0.098 5.432 1.00 0.00 H new ATOM 0 HE ARG A 43 3.835 0.744 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.846 -2.051 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.899 -3.195 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.182 -0.733 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.779 -2.453 3.695 1.00 0.00 H new ATOM 645 N ARG A 44 2.279 5.241 6.360 1.00 0.00 N ATOM 646 CA ARG A 44 3.365 6.207 6.472 1.00 0.00 C ATOM 647 C ARG A 44 4.411 5.735 7.477 1.00 0.00 C ATOM 648 O ARG A 44 4.720 6.436 8.442 1.00 0.00 O ATOM 649 CB ARG A 44 2.819 7.573 6.891 1.00 0.00 C ATOM 650 CG ARG A 44 2.020 8.270 5.801 1.00 0.00 C ATOM 651 CD ARG A 44 0.942 9.168 6.389 1.00 0.00 C ATOM 652 NE ARG A 44 1.506 10.358 7.021 1.00 0.00 N ATOM 653 CZ ARG A 44 1.908 11.428 6.345 1.00 0.00 C ATOM 654 NH1 ARG A 44 1.810 11.457 5.023 1.00 0.00 N ATOM 655 NH2 ARG A 44 2.411 12.472 6.991 1.00 0.00 N ATOM 0 H ARG A 44 2.011 5.017 5.402 1.00 0.00 H new ATOM 0 HA ARG A 44 3.840 6.297 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.187 7.448 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.651 8.213 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.691 8.864 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.560 7.525 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.251 9.469 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.364 8.607 7.123 1.00 0.00 H new ATOM 0 HE ARG A 44 1.596 10.368 8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.425 10.656 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.120 12.280 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.489 12.453 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.720 13.293 6.471 1.00 0.00 H new ATOM 669 N LEU A 45 4.952 4.545 7.245 1.00 0.00 N ATOM 670 CA LEU A 45 5.964 3.979 8.131 1.00 0.00 C ATOM 671 C LEU A 45 7.244 3.663 7.363 1.00 0.00 C ATOM 672 O LEU A 45 7.254 2.813 6.473 1.00 0.00 O ATOM 673 CB LEU A 45 5.432 2.710 8.801 1.00 0.00 C ATOM 674 CG LEU A 45 4.407 2.920 9.916 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.904 1.583 10.437 1.00 0.00 C ATOM 676 CD2 LEU A 45 5.009 3.743 11.046 1.00 0.00 C ATOM 0 H LEU A 45 4.707 3.953 6.451 1.00 0.00 H new ATOM 0 HA LEU A 45 6.195 4.718 8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.981 2.080 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.278 2.158 9.211 1.00 0.00 H new ATOM 0 HG LEU A 45 3.559 3.469 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.175 1.752 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.434 1.029 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.742 1.008 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.265 3.883 11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.874 3.222 11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.319 4.715 10.663 1.00 0.00 H new ATOM 688 N LYS A 46 8.324 4.352 7.716 1.00 0.00 N ATOM 689 CA LYS A 46 9.612 4.145 7.064 1.00 0.00 C ATOM 690 C LYS A 46 10.704 3.871 8.092 1.00 0.00 C ATOM 691 O LYS A 46 10.691 4.427 9.190 1.00 0.00 O ATOM 692 CB LYS A 46 9.984 5.367 6.222 1.00 0.00 C ATOM 693 CG LYS A 46 11.476 5.504 5.975 1.00 0.00 C ATOM 694 CD LYS A 46 11.793 6.740 5.150 1.00 0.00 C ATOM 695 CE LYS A 46 11.640 6.471 3.661 1.00 0.00 C ATOM 696 NZ LYS A 46 10.210 6.445 3.246 1.00 0.00 N ATOM 0 H LYS A 46 8.333 5.059 8.451 1.00 0.00 H new ATOM 0 HA LYS A 46 9.525 3.276 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.469 5.307 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.623 6.266 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.000 5.558 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.843 4.617 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.131 7.554 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.812 7.067 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.168 7.240 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.107 5.518 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.098 6.964 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.905 5.460 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.627 6.893 3.982 1.00 0.00 H new ATOM 710 N CYS A 47 11.650 3.011 7.729 1.00 0.00 N ATOM 711 CA CYS A 47 12.751 2.663 8.619 1.00 0.00 C ATOM 712 C CYS A 47 13.660 3.866 8.855 1.00 0.00 C ATOM 713 O CYS A 47 14.002 4.590 7.921 1.00 0.00 O ATOM 714 CB CYS A 47 13.562 1.505 8.034 1.00 0.00 C ATOM 715 SG CYS A 47 14.920 0.933 9.104 1.00 0.00 S ATOM 0 H CYS A 47 11.676 2.542 6.824 1.00 0.00 H new ATOM 0 HA CYS A 47 12.328 2.355 9.575 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.891 0.668 7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.976 1.814 7.074 1.00 0.00 H new ATOM 0 HG CYS A 47 14.444 0.156 10.031 1.00 0.00 H new ATOM 720 N GLU A 48 14.047 4.072 10.110 1.00 0.00 N ATOM 721 CA GLU A 48 14.915 5.187 10.469 1.00 0.00 C ATOM 722 C GLU A 48 16.377 4.852 10.183 1.00 0.00 C ATOM 723 O GLU A 48 17.286 5.532 10.660 1.00 0.00 O ATOM 724 CB GLU A 48 14.742 5.543 11.946 1.00 0.00 C ATOM 725 CG GLU A 48 15.120 4.416 12.893 1.00 0.00 C ATOM 726 CD GLU A 48 15.647 4.922 14.222 1.00 0.00 C ATOM 727 OE1 GLU A 48 14.827 5.165 15.132 1.00 0.00 O ATOM 728 OE2 GLU A 48 16.880 5.075 14.351 1.00 0.00 O ATOM 0 H GLU A 48 13.773 3.481 10.895 1.00 0.00 H new ATOM 0 HA GLU A 48 14.631 6.046 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.352 6.417 12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.704 5.823 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.248 3.786 13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.877 3.789 12.422 1.00 0.00 H new ATOM 735 N PHE A 49 16.594 3.799 9.402 1.00 0.00 N ATOM 736 CA PHE A 49 17.944 3.372 9.054 1.00 0.00 C ATOM 737 C PHE A 49 18.102 3.246 7.541 1.00 0.00 C ATOM 738 O PHE A 49 18.881 3.972 6.924 1.00 0.00 O ATOM 739 CB PHE A 49 18.269 2.036 9.724 1.00 0.00 C ATOM 740 CG PHE A 49 18.518 2.151 11.201 1.00 0.00 C ATOM 741 CD1 PHE A 49 17.474 2.039 12.105 1.00 0.00 C ATOM 742 CD2 PHE A 49 19.798 2.373 11.685 1.00 0.00 C ATOM 743 CE1 PHE A 49 17.701 2.144 13.464 1.00 0.00 C ATOM 744 CE2 PHE A 49 20.030 2.478 13.043 1.00 0.00 C ATOM 745 CZ PHE A 49 18.981 2.365 13.934 1.00 0.00 C ATOM 0 H PHE A 49 15.853 3.226 8.998 1.00 0.00 H new ATOM 0 HA PHE A 49 18.641 4.129 9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.444 1.344 9.556 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.149 1.604 9.248 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.471 1.868 11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 49 20.622 2.465 10.993 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.878 2.053 14.158 1.00 0.00 H new ATOM 0 HE2 PHE A 49 21.032 2.649 13.408 1.00 0.00 H new ATOM 0 HZ PHE A 49 19.161 2.449 14.996 1.00 0.00 H new ATOM 755 N CYS A 50 17.356 2.318 6.950 1.00 0.00 N ATOM 756 CA CYS A 50 17.411 2.095 5.511 1.00 0.00 C ATOM 757 C CYS A 50 16.354 2.926 4.790 1.00 0.00 C ATOM 758 O CYS A 50 16.125 2.756 3.593 1.00 0.00 O ATOM 759 CB CYS A 50 17.211 0.611 5.196 1.00 0.00 C ATOM 760 SG CYS A 50 15.565 -0.029 5.643 1.00 0.00 S ATOM 0 H CYS A 50 16.706 1.708 7.446 1.00 0.00 H new ATOM 0 HA CYS A 50 18.394 2.406 5.158 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.374 0.452 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.969 0.033 5.724 1.00 0.00 H new ATOM 0 HG CYS A 50 15.373 0.122 6.920 1.00 0.00 H new ATOM 765 N GLY A 51 15.712 3.826 5.528 1.00 0.00 N ATOM 766 CA GLY A 51 14.687 4.671 4.943 1.00 0.00 C ATOM 767 C GLY A 51 13.846 3.936 3.918 1.00 0.00 C ATOM 768 O GLY A 51 13.806 4.318 2.748 1.00 0.00 O ATOM 0 H GLY A 51 15.883 3.985 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.040 5.052 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.157 5.534 4.471 1.00 0.00 H new ATOM 772 N CYS A 52 13.172 2.878 4.357 1.00 0.00 N ATOM 773 CA CYS A 52 12.329 2.086 3.469 1.00 0.00 C ATOM 774 C CYS A 52 10.963 1.833 4.099 1.00 0.00 C ATOM 775 O CYS A 52 10.855 1.622 5.307 1.00 0.00 O ATOM 776 CB CYS A 52 13.008 0.755 3.141 1.00 0.00 C ATOM 777 SG CYS A 52 14.180 0.844 1.767 1.00 0.00 S ATOM 0 H CYS A 52 13.193 2.549 5.322 1.00 0.00 H new ATOM 0 HA CYS A 52 12.185 2.649 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.531 0.398 4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.242 0.017 2.904 1.00 0.00 H new ATOM 0 HG CYS A 52 15.204 1.564 2.116 1.00 0.00 H new ATOM 783 N ASP A 53 9.923 1.856 3.273 1.00 0.00 N ATOM 784 CA ASP A 53 8.564 1.629 3.749 1.00 0.00 C ATOM 785 C ASP A 53 8.430 0.243 4.372 1.00 0.00 C ATOM 786 O ASP A 53 8.986 -0.732 3.867 1.00 0.00 O ATOM 787 CB ASP A 53 7.566 1.784 2.600 1.00 0.00 C ATOM 788 CG ASP A 53 7.477 3.211 2.098 1.00 0.00 C ATOM 789 OD1 ASP A 53 6.849 4.043 2.785 1.00 0.00 O ATOM 790 OD2 ASP A 53 8.035 3.497 1.018 1.00 0.00 O ATOM 0 H ASP A 53 9.995 2.030 2.270 1.00 0.00 H new ATOM 0 HA ASP A 53 8.344 2.374 4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.859 1.131 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.581 1.457 2.932 1.00 0.00 H new ATOM 795 N PHE A 54 7.690 0.164 5.473 1.00 0.00 N ATOM 796 CA PHE A 54 7.486 -1.102 6.167 1.00 0.00 C ATOM 797 C PHE A 54 6.120 -1.135 6.846 1.00 0.00 C ATOM 798 O PHE A 54 5.373 -0.157 6.810 1.00 0.00 O ATOM 799 CB PHE A 54 8.589 -1.324 7.204 1.00 0.00 C ATOM 800 CG PHE A 54 9.860 -1.868 6.619 1.00 0.00 C ATOM 801 CD1 PHE A 54 9.945 -3.193 6.223 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.972 -1.055 6.466 1.00 0.00 C ATOM 803 CE1 PHE A 54 11.114 -3.696 5.685 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.144 -1.553 5.928 1.00 0.00 C ATOM 805 CZ PHE A 54 12.214 -2.875 5.536 1.00 0.00 C ATOM 0 H PHE A 54 7.222 0.961 5.904 1.00 0.00 H new ATOM 0 HA PHE A 54 7.525 -1.903 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.803 -0.379 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.226 -2.012 7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.088 -3.840 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.922 -0.020 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.167 -4.731 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.004 -0.909 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.128 -3.266 5.114 1.00 0.00 H new ATOM 815 N SER A 55 5.800 -2.267 7.465 1.00 0.00 N ATOM 816 CA SER A 55 4.522 -2.431 8.149 1.00 0.00 C ATOM 817 C SER A 55 4.701 -2.344 9.661 1.00 0.00 C ATOM 818 O SER A 55 5.798 -2.087 10.155 1.00 0.00 O ATOM 819 CB SER A 55 3.888 -3.772 7.775 1.00 0.00 C ATOM 820 OG SER A 55 4.244 -4.155 6.458 1.00 0.00 O ATOM 0 H SER A 55 6.408 -3.085 7.507 1.00 0.00 H new ATOM 0 HA SER A 55 3.861 -1.624 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.210 -4.539 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.803 -3.700 7.855 1.00 0.00 H new ATOM 0 HG SER A 55 3.828 -5.016 6.244 1.00 0.00 H new ATOM 826 N GLY A 56 3.612 -2.560 10.393 1.00 0.00 N ATOM 827 CA GLY A 56 3.668 -2.502 11.842 1.00 0.00 C ATOM 828 C GLY A 56 4.332 -3.724 12.446 1.00 0.00 C ATOM 829 O GLY A 56 5.398 -3.623 13.052 1.00 0.00 O ATOM 0 H GLY A 56 2.692 -2.774 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.213 -1.608 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.657 -2.409 12.238 1.00 0.00 H new ATOM 833 N GLU A 57 3.698 -4.881 12.282 1.00 0.00 N ATOM 834 CA GLU A 57 4.234 -6.127 12.819 1.00 0.00 C ATOM 835 C GLU A 57 5.598 -6.439 12.212 1.00 0.00 C ATOM 836 O GLU A 57 6.438 -7.081 12.842 1.00 0.00 O ATOM 837 CB GLU A 57 3.267 -7.282 12.549 1.00 0.00 C ATOM 838 CG GLU A 57 2.896 -7.434 11.083 1.00 0.00 C ATOM 839 CD GLU A 57 3.837 -8.359 10.336 1.00 0.00 C ATOM 840 OE1 GLU A 57 4.728 -8.949 10.983 1.00 0.00 O ATOM 841 OE2 GLU A 57 3.683 -8.493 9.104 1.00 0.00 O ATOM 0 H GLU A 57 2.814 -4.982 11.783 1.00 0.00 H new ATOM 0 HA GLU A 57 4.354 -6.007 13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.717 -8.211 12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.358 -7.128 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.879 -7.818 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.902 -6.453 10.607 1.00 0.00 H new ATOM 848 N ALA A 58 5.812 -5.979 10.983 1.00 0.00 N ATOM 849 CA ALA A 58 7.074 -6.207 10.291 1.00 0.00 C ATOM 850 C ALA A 58 8.163 -5.277 10.814 1.00 0.00 C ATOM 851 O ALA A 58 9.228 -5.728 11.238 1.00 0.00 O ATOM 852 CB ALA A 58 6.894 -6.022 8.791 1.00 0.00 C ATOM 0 H ALA A 58 5.127 -5.446 10.447 1.00 0.00 H new ATOM 0 HA ALA A 58 7.386 -7.233 10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.844 -6.195 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.153 -6.732 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.555 -5.006 8.588 1.00 0.00 H new ATOM 858 N TYR A 59 7.891 -3.977 10.781 1.00 0.00 N ATOM 859 CA TYR A 59 8.849 -2.983 11.249 1.00 0.00 C ATOM 860 C TYR A 59 9.456 -3.398 12.586 1.00 0.00 C ATOM 861 O TYR A 59 10.652 -3.226 12.817 1.00 0.00 O ATOM 862 CB TYR A 59 8.174 -1.617 11.385 1.00 0.00 C ATOM 863 CG TYR A 59 9.074 -0.552 11.968 1.00 0.00 C ATOM 864 CD1 TYR A 59 9.506 -0.624 13.286 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.494 0.527 11.199 1.00 0.00 C ATOM 866 CE1 TYR A 59 10.328 0.348 13.823 1.00 0.00 C ATOM 867 CE2 TYR A 59 10.318 1.503 11.727 1.00 0.00 C ATOM 868 CZ TYR A 59 10.732 1.409 13.039 1.00 0.00 C ATOM 869 OH TYR A 59 11.552 2.378 13.569 1.00 0.00 O ATOM 0 H TYR A 59 7.014 -3.587 10.435 1.00 0.00 H new ATOM 0 HA TYR A 59 9.650 -2.913 10.513 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.830 -1.292 10.403 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.290 -1.719 12.015 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.194 -1.454 13.902 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.171 0.604 10.171 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.652 0.278 14.851 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.636 2.335 11.116 1.00 0.00 H new ATOM 0 HH TYR A 59 11.744 3.054 12.886 1.00 0.00 H new ATOM 879 N GLU A 60 8.620 -3.948 13.462 1.00 0.00 N ATOM 880 CA GLU A 60 9.074 -4.388 14.776 1.00 0.00 C ATOM 881 C GLU A 60 10.238 -5.367 14.650 1.00 0.00 C ATOM 882 O GLU A 60 11.295 -5.172 15.250 1.00 0.00 O ATOM 883 CB GLU A 60 7.924 -5.042 15.545 1.00 0.00 C ATOM 884 CG GLU A 60 6.863 -4.057 16.007 1.00 0.00 C ATOM 885 CD GLU A 60 7.330 -3.199 17.167 1.00 0.00 C ATOM 886 OE1 GLU A 60 8.515 -3.305 17.545 1.00 0.00 O ATOM 887 OE2 GLU A 60 6.508 -2.422 17.697 1.00 0.00 O ATOM 0 H GLU A 60 7.627 -4.099 13.286 1.00 0.00 H new ATOM 0 HA GLU A 60 9.417 -3.512 15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.457 -5.796 14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.328 -5.562 16.414 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.583 -3.413 15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.968 -4.605 16.302 1.00 0.00 H new ATOM 894 N SER A 61 10.034 -6.421 13.866 1.00 0.00 N ATOM 895 CA SER A 61 11.064 -7.434 13.665 1.00 0.00 C ATOM 896 C SER A 61 12.232 -6.868 12.862 1.00 0.00 C ATOM 897 O SER A 61 13.353 -7.374 12.934 1.00 0.00 O ATOM 898 CB SER A 61 10.478 -8.650 12.946 1.00 0.00 C ATOM 899 OG SER A 61 11.488 -9.376 12.266 1.00 0.00 O ATOM 0 H SER A 61 9.166 -6.596 13.360 1.00 0.00 H new ATOM 0 HA SER A 61 11.433 -7.742 14.643 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.982 -9.299 13.668 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.718 -8.325 12.235 1.00 0.00 H new ATOM 0 HG SER A 61 11.088 -10.149 11.816 1.00 0.00 H new ATOM 905 N HIS A 62 11.962 -5.815 12.097 1.00 0.00 N ATOM 906 CA HIS A 62 12.990 -5.179 11.281 1.00 0.00 C ATOM 907 C HIS A 62 13.967 -4.395 12.151 1.00 0.00 C ATOM 908 O HIS A 62 15.100 -4.135 11.748 1.00 0.00 O ATOM 909 CB HIS A 62 12.349 -4.251 10.249 1.00 0.00 C ATOM 910 CG HIS A 62 13.326 -3.685 9.264 1.00 0.00 C ATOM 911 ND1 HIS A 62 13.582 -4.265 8.040 1.00 0.00 N ATOM 912 CD2 HIS A 62 14.110 -2.583 9.328 1.00 0.00 C ATOM 913 CE1 HIS A 62 14.482 -3.546 7.394 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.819 -2.520 8.154 1.00 0.00 N ATOM 0 H HIS A 62 11.040 -5.384 12.025 1.00 0.00 H new ATOM 0 HA HIS A 62 13.543 -5.962 10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.577 -4.800 9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.853 -3.431 10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.167 -1.884 10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.875 -3.761 6.411 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.496 -1.798 7.909 1.00 0.00 H new ATOM 922 N GLU A 63 13.519 -4.021 13.345 1.00 0.00 N ATOM 923 CA GLU A 63 14.354 -3.265 14.271 1.00 0.00 C ATOM 924 C GLU A 63 15.683 -3.976 14.510 1.00 0.00 C ATOM 925 O GLU A 63 16.703 -3.338 14.770 1.00 0.00 O ATOM 926 CB GLU A 63 13.625 -3.062 15.601 1.00 0.00 C ATOM 927 CG GLU A 63 14.233 -1.972 16.469 1.00 0.00 C ATOM 928 CD GLU A 63 13.931 -2.163 17.942 1.00 0.00 C ATOM 929 OE1 GLU A 63 14.223 -3.256 18.471 1.00 0.00 O ATOM 930 OE2 GLU A 63 13.401 -1.220 18.566 1.00 0.00 O ATOM 0 H GLU A 63 12.583 -4.229 13.694 1.00 0.00 H new ATOM 0 HA GLU A 63 14.558 -2.292 13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.582 -2.815 15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.630 -4.001 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.313 -1.956 16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.853 -1.002 16.147 1.00 0.00 H new ATOM 937 N GLY A 64 15.662 -5.302 14.420 1.00 0.00 N ATOM 938 CA GLY A 64 16.870 -6.079 14.630 1.00 0.00 C ATOM 939 C GLY A 64 17.562 -6.437 13.330 1.00 0.00 C ATOM 940 O GLY A 64 18.754 -6.741 13.317 1.00 0.00 O ATOM 0 H GLY A 64 14.830 -5.852 14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.557 -5.514 15.260 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.621 -6.993 15.169 1.00 0.00 H new ATOM 944 N MET A 65 16.811 -6.404 12.233 1.00 0.00 N ATOM 945 CA MET A 65 17.361 -6.728 10.922 1.00 0.00 C ATOM 946 C MET A 65 17.122 -5.589 9.936 1.00 0.00 C ATOM 947 O MET A 65 15.986 -5.325 9.540 1.00 0.00 O ATOM 948 CB MET A 65 16.736 -8.019 10.389 1.00 0.00 C ATOM 949 CG MET A 65 15.218 -8.035 10.463 1.00 0.00 C ATOM 950 SD MET A 65 14.536 -9.702 10.365 1.00 0.00 S ATOM 951 CE MET A 65 14.655 -10.217 12.077 1.00 0.00 C ATOM 0 H MET A 65 15.822 -6.156 12.226 1.00 0.00 H new ATOM 0 HA MET A 65 18.436 -6.871 11.031 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.043 -8.160 9.353 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.128 -8.864 10.955 1.00 0.00 H new ATOM 0 HG2 MET A 65 14.899 -7.570 11.396 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.812 -7.432 9.651 1.00 0.00 H new ATOM 0 HE1 MET A 65 15.423 -10.984 12.174 1.00 0.00 H new ATOM 0 HE2 MET A 65 14.918 -9.360 12.697 1.00 0.00 H new ATOM 0 HE3 MET A 65 13.696 -10.620 12.403 1.00 0.00 H new ATOM 961 N CYS A 66 18.199 -4.917 9.542 1.00 0.00 N ATOM 962 CA CYS A 66 18.107 -3.806 8.603 1.00 0.00 C ATOM 963 C CYS A 66 19.255 -3.847 7.599 1.00 0.00 C ATOM 964 O CYS A 66 20.409 -4.093 7.948 1.00 0.00 O ATOM 965 CB CYS A 66 18.118 -2.474 9.354 1.00 0.00 C ATOM 966 SG CYS A 66 18.139 -1.009 8.271 1.00 0.00 S ATOM 0 H CYS A 66 19.146 -5.123 9.859 1.00 0.00 H new ATOM 0 HA CYS A 66 17.168 -3.900 8.058 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.239 -2.425 9.997 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.992 -2.444 10.005 1.00 0.00 H new ATOM 0 HG CYS A 66 17.037 -0.338 8.427 1.00 0.00 H new ATOM 971 N PRO A 67 18.932 -3.598 6.321 1.00 0.00 N ATOM 972 CA PRO A 67 19.922 -3.600 5.240 1.00 0.00 C ATOM 973 C PRO A 67 20.880 -2.417 5.330 1.00 0.00 C ATOM 974 O PRO A 67 22.059 -2.536 4.999 1.00 0.00 O ATOM 975 CB PRO A 67 19.066 -3.499 3.975 1.00 0.00 C ATOM 976 CG PRO A 67 17.808 -2.837 4.420 1.00 0.00 C ATOM 977 CD PRO A 67 17.576 -3.297 5.833 1.00 0.00 C ATOM 0 HA PRO A 67 20.558 -4.485 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.568 -2.916 3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.867 -4.484 3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.900 -1.752 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.973 -3.114 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.095 -2.525 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.932 -4.176 5.869 1.00 0.00 H new ATOM 985 N GLN A 68 20.366 -1.277 5.780 1.00 0.00 N ATOM 986 CA GLN A 68 21.177 -0.073 5.913 1.00 0.00 C ATOM 987 C GLN A 68 21.110 0.474 7.335 1.00 0.00 C ATOM 988 O GLN A 68 20.553 1.545 7.572 1.00 0.00 O ATOM 989 CB GLN A 68 20.711 0.994 4.921 1.00 0.00 C ATOM 990 CG GLN A 68 21.393 0.904 3.566 1.00 0.00 C ATOM 991 CD GLN A 68 22.762 1.555 3.558 1.00 0.00 C ATOM 992 OE1 GLN A 68 23.368 1.766 4.609 1.00 0.00 O ATOM 993 NE2 GLN A 68 23.258 1.876 2.369 1.00 0.00 N ATOM 0 H GLN A 68 19.392 -1.162 6.059 1.00 0.00 H new ATOM 0 HA GLN A 68 22.212 -0.336 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.634 0.904 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.896 1.980 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 68 21.491 -0.144 3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 68 20.764 1.381 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 68 22.721 1.683 1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 68 24.176 2.316 2.301 1.00 0.00 H new ATOM 1002 N GLU A 69 21.682 -0.270 8.278 1.00 0.00 N ATOM 1003 CA GLU A 69 21.686 0.142 9.677 1.00 0.00 C ATOM 1004 C GLU A 69 22.723 1.234 9.920 1.00 0.00 C ATOM 1005 O GLU A 69 23.721 1.015 10.606 1.00 0.00 O ATOM 1006 CB GLU A 69 21.970 -1.058 10.583 1.00 0.00 C ATOM 1007 CG GLU A 69 21.386 -0.918 11.979 1.00 0.00 C ATOM 1008 CD GLU A 69 21.613 -2.151 12.832 1.00 0.00 C ATOM 1009 OE1 GLU A 69 21.516 -3.272 12.293 1.00 0.00 O ATOM 1010 OE2 GLU A 69 21.888 -1.992 14.040 1.00 0.00 O ATOM 0 H GLU A 69 22.148 -1.160 8.098 1.00 0.00 H new ATOM 0 HA GLU A 69 20.701 0.543 9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.566 -1.957 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 69 23.048 -1.196 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.832 -0.053 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.316 -0.725 11.904 1.00 0.00 H new