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 47 CYS SG : rot 90:sc= -0.481 USER MOD Set 1.2: A 50 CYS SG : rot -64:sc= -0.79 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -9.81! C(o=-13!,f=-12!) USER MOD Set 1.4: A 66 CYS SG : rot 116:sc= -1.95 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.391 K(o=-2.1,f=-1.5) USER MOD Set 2.2: A 38 HIS : no HE2:sc= -1.68! C(o=-2.1!,f=-5.1!) USER MOD Set 3.1: A 19 CYS SG : rot 161:sc= -6.28! USER MOD Set 3.2: A 21 ASN : amide:sc= -3.97! C(o=-24!,f=-23!) USER MOD Set 3.3: A 23 CYS SG : rot -92:sc= -0.903 USER MOD Set 3.4: A 25 MET CE :methyl -165:sc= -2.51 (180deg=-3.24!) USER MOD Set 3.5: A 35 HIS : no HD1:sc= -9.76! C(o=-24!,f=-22!) USER MOD Set 3.6: A 40 CYS SG : rot 68:sc= -0.578 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -1.61 (180deg=-2.71!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.779! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= -1.4 (180deg=-1.56) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -20:sc= 1.01 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.815 2.105 9.412 1.00 0.00 N ATOM 203 CA ILE A 17 -16.143 3.352 9.756 1.00 0.00 C ATOM 204 C ILE A 17 -14.862 3.528 8.947 1.00 0.00 C ATOM 205 O ILE A 17 -14.130 2.575 8.682 1.00 0.00 O ATOM 206 CB ILE A 17 -15.801 3.412 11.257 1.00 0.00 C ATOM 207 CG1 ILE A 17 -15.397 2.027 11.766 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.984 3.950 12.049 1.00 0.00 C ATOM 209 CD1 ILE A 17 -13.985 1.634 11.393 1.00 0.00 C ATOM 0 HA ILE A 17 -16.835 4.159 9.517 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.958 4.089 11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.497 2.004 12.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.089 1.286 11.366 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.727 3.986 13.108 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.229 4.953 11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.845 3.296 11.907 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.768 0.641 11.787 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.885 1.624 10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.283 2.353 11.815 1.00 0.00 H new ATOM 221 N PRO A 18 -14.583 4.777 8.545 1.00 0.00 N ATOM 222 CA PRO A 18 -13.389 5.108 7.762 1.00 0.00 C ATOM 223 C PRO A 18 -12.107 4.979 8.578 1.00 0.00 C ATOM 224 O PRO A 18 -12.136 5.005 9.808 1.00 0.00 O ATOM 225 CB PRO A 18 -13.622 6.567 7.360 1.00 0.00 C ATOM 226 CG PRO A 18 -14.532 7.108 8.408 1.00 0.00 C ATOM 227 CD PRO A 18 -15.411 5.962 8.825 1.00 0.00 C ATOM 0 HA PRO A 18 -13.257 4.434 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.685 7.122 7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.072 6.638 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.965 7.494 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.127 7.935 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.679 6.025 9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.343 5.944 8.260 1.00 0.00 H new ATOM 235 N CYS A 19 -10.982 4.841 7.884 1.00 0.00 N ATOM 236 CA CYS A 19 -9.688 4.707 8.544 1.00 0.00 C ATOM 237 C CYS A 19 -9.223 6.048 9.105 1.00 0.00 C ATOM 238 O CYS A 19 -9.309 7.087 8.449 1.00 0.00 O ATOM 239 CB CYS A 19 -8.647 4.163 7.564 1.00 0.00 C ATOM 240 SG CYS A 19 -7.010 3.869 8.307 1.00 0.00 S ATOM 0 H CYS A 19 -10.940 4.819 6.865 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.800 4.006 9.371 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.015 3.229 7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.539 4.866 6.738 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.331 3.057 7.553 1.00 0.00 H new ATOM 245 N PRO A 20 -8.718 6.026 10.347 1.00 0.00 N ATOM 246 CA PRO A 20 -8.229 7.231 11.024 1.00 0.00 C ATOM 247 C PRO A 20 -6.940 7.761 10.404 1.00 0.00 C ATOM 248 O PRO A 20 -6.597 8.931 10.568 1.00 0.00 O ATOM 249 CB PRO A 20 -7.977 6.755 12.457 1.00 0.00 C ATOM 250 CG PRO A 20 -7.731 5.291 12.332 1.00 0.00 C ATOM 251 CD PRO A 20 -8.586 4.824 11.187 1.00 0.00 C ATOM 0 HA PRO A 20 -8.939 8.055 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.120 7.264 12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.834 6.959 13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.677 5.087 12.141 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.994 4.771 13.253 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.117 4.004 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.556 4.465 11.530 1.00 0.00 H new ATOM 259 N ASN A 21 -6.231 6.892 9.691 1.00 0.00 N ATOM 260 CA ASN A 21 -4.979 7.273 9.047 1.00 0.00 C ATOM 261 C ASN A 21 -5.237 8.210 7.870 1.00 0.00 C ATOM 262 O ASN A 21 -4.301 8.713 7.248 1.00 0.00 O ATOM 263 CB ASN A 21 -4.228 6.029 8.568 1.00 0.00 C ATOM 264 CG ASN A 21 -3.626 5.240 9.714 1.00 0.00 C ATOM 265 OD1 ASN A 21 -3.995 5.429 10.873 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.694 4.350 9.394 1.00 0.00 N ATOM 0 H ASN A 21 -6.502 5.920 9.545 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.367 7.798 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.910 5.389 8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.436 6.328 7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.253 3.789 10.123 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.419 4.227 8.419 1.00 0.00 H new ATOM 273 N ARG A 22 -6.511 8.440 7.572 1.00 0.00 N ATOM 274 CA ARG A 22 -6.892 9.316 6.470 1.00 0.00 C ATOM 275 C ARG A 22 -6.665 8.629 5.127 1.00 0.00 C ATOM 276 O ARG A 22 -6.269 9.267 4.150 1.00 0.00 O ATOM 277 CB ARG A 22 -6.096 10.620 6.529 1.00 0.00 C ATOM 278 CG ARG A 22 -5.936 11.173 7.936 1.00 0.00 C ATOM 279 CD ARG A 22 -4.510 11.011 8.440 1.00 0.00 C ATOM 280 NE ARG A 22 -4.077 12.158 9.233 1.00 0.00 N ATOM 281 CZ ARG A 22 -2.861 12.272 9.758 1.00 0.00 C ATOM 282 NH1 ARG A 22 -1.964 11.314 9.572 1.00 0.00 N ATOM 283 NH2 ARG A 22 -2.542 13.346 10.468 1.00 0.00 N ATOM 0 H ARG A 22 -7.297 8.032 8.078 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.954 9.542 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.108 10.453 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.592 11.367 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.209 12.228 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.622 10.660 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.439 10.106 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.838 10.882 7.592 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.744 12.913 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.206 10.488 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.031 11.403 9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.230 14.085 10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.609 13.433 10.870 1.00 0.00 H new ATOM 297 N CYS A 23 -6.918 7.325 5.084 1.00 0.00 N ATOM 298 CA CYS A 23 -6.741 6.551 3.862 1.00 0.00 C ATOM 299 C CYS A 23 -8.085 6.068 3.324 1.00 0.00 C ATOM 300 O CYS A 23 -9.009 5.761 4.077 1.00 0.00 O ATOM 301 CB CYS A 23 -5.822 5.355 4.119 1.00 0.00 C ATOM 302 SG CYS A 23 -6.693 3.856 4.681 1.00 0.00 S ATOM 0 H CYS A 23 -7.247 6.782 5.883 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.282 7.199 3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.278 5.125 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.081 5.634 4.868 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.722 3.833 5.980 1.00 0.00 H new ATOM 307 N PRO A 24 -8.197 5.997 1.989 1.00 0.00 N ATOM 308 CA PRO A 24 -9.423 5.552 1.321 1.00 0.00 C ATOM 309 C PRO A 24 -9.683 4.062 1.519 1.00 0.00 C ATOM 310 O PRO A 24 -9.679 3.289 0.562 1.00 0.00 O ATOM 311 CB PRO A 24 -9.153 5.855 -0.155 1.00 0.00 C ATOM 312 CG PRO A 24 -7.669 5.836 -0.280 1.00 0.00 C ATOM 313 CD PRO A 24 -7.136 6.347 1.030 1.00 0.00 C ATOM 0 HA PRO A 24 -10.307 6.051 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.614 5.110 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.562 6.824 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.307 4.828 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.339 6.464 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.188 5.876 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.960 7.422 1.000 1.00 0.00 H new ATOM 321 N MET A 25 -9.909 3.667 2.768 1.00 0.00 N ATOM 322 CA MET A 25 -10.172 2.269 3.090 1.00 0.00 C ATOM 323 C MET A 25 -10.872 2.146 4.440 1.00 0.00 C ATOM 324 O MET A 25 -10.423 2.711 5.438 1.00 0.00 O ATOM 325 CB MET A 25 -8.867 1.472 3.105 1.00 0.00 C ATOM 326 CG MET A 25 -8.601 0.718 1.812 1.00 0.00 C ATOM 327 SD MET A 25 -9.153 -0.998 1.883 1.00 0.00 S ATOM 328 CE MET A 25 -8.325 -1.558 3.369 1.00 0.00 C ATOM 0 H MET A 25 -9.915 4.294 3.572 1.00 0.00 H new ATOM 0 HA MET A 25 -10.828 1.862 2.321 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.037 2.152 3.297 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.894 0.762 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.106 1.225 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.533 0.744 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.344 -2.647 3.407 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.291 -1.213 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.836 -1.155 4.244 1.00 0.00 H new ATOM 338 N LYS A 26 -11.974 1.404 4.465 1.00 0.00 N ATOM 339 CA LYS A 26 -12.736 1.205 5.692 1.00 0.00 C ATOM 340 C LYS A 26 -12.717 -0.262 6.112 1.00 0.00 C ATOM 341 O LYS A 26 -12.718 -1.160 5.269 1.00 0.00 O ATOM 342 CB LYS A 26 -14.180 1.673 5.501 1.00 0.00 C ATOM 343 CG LYS A 26 -14.297 3.012 4.793 1.00 0.00 C ATOM 344 CD LYS A 26 -15.456 3.831 5.337 1.00 0.00 C ATOM 345 CE LYS A 26 -15.547 5.188 4.656 1.00 0.00 C ATOM 346 NZ LYS A 26 -14.213 5.674 4.208 1.00 0.00 N ATOM 0 H LYS A 26 -12.360 0.930 3.648 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.270 1.797 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.724 0.921 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.662 1.744 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.368 3.570 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.436 2.849 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.388 3.286 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.333 3.969 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.216 5.120 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.985 5.911 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.257 6.698 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.507 5.479 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.942 5.185 3.331 1.00 0.00 H new ATOM 360 N LEU A 27 -12.701 -0.497 7.419 1.00 0.00 N ATOM 361 CA LEU A 27 -12.684 -1.855 7.952 1.00 0.00 C ATOM 362 C LEU A 27 -13.802 -2.056 8.969 1.00 0.00 C ATOM 363 O LEU A 27 -14.777 -2.759 8.705 1.00 0.00 O ATOM 364 CB LEU A 27 -11.330 -2.153 8.600 1.00 0.00 C ATOM 365 CG LEU A 27 -10.129 -1.407 8.018 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.169 -1.435 6.498 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.094 0.027 8.526 1.00 0.00 C ATOM 0 H LEU A 27 -12.699 0.235 8.129 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.844 -2.545 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.398 -1.918 9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.140 -3.223 8.522 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.219 -1.910 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.307 -0.899 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.145 -2.468 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.085 -0.957 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.233 0.543 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.008 0.541 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.017 0.026 9.613 1.00 0.00 H new ATOM 379 N SER A 28 -13.656 -1.430 10.133 1.00 0.00 N ATOM 380 CA SER A 28 -14.653 -1.541 11.191 1.00 0.00 C ATOM 381 C SER A 28 -14.043 -1.209 12.549 1.00 0.00 C ATOM 382 O SER A 28 -12.846 -0.943 12.656 1.00 0.00 O ATOM 383 CB SER A 28 -15.246 -2.951 11.216 1.00 0.00 C ATOM 384 OG SER A 28 -15.781 -3.257 12.493 1.00 0.00 O ATOM 0 H SER A 28 -12.857 -0.841 10.367 1.00 0.00 H new ATOM 0 HA SER A 28 -15.448 -0.824 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.028 -3.033 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.476 -3.678 10.957 1.00 0.00 H new ATOM 0 HG SER A 28 -16.155 -4.163 12.482 1.00 0.00 H new ATOM 390 N ARG A 29 -14.875 -1.228 13.585 1.00 0.00 N ATOM 391 CA ARG A 29 -14.419 -0.928 14.937 1.00 0.00 C ATOM 392 C ARG A 29 -13.792 -2.159 15.585 1.00 0.00 C ATOM 393 O ARG A 29 -13.685 -2.243 16.809 1.00 0.00 O ATOM 394 CB ARG A 29 -15.585 -0.427 15.792 1.00 0.00 C ATOM 395 CG ARG A 29 -15.887 1.050 15.604 1.00 0.00 C ATOM 396 CD ARG A 29 -15.542 1.853 16.848 1.00 0.00 C ATOM 397 NE ARG A 29 -16.448 1.562 17.956 1.00 0.00 N ATOM 398 CZ ARG A 29 -17.684 2.042 18.040 1.00 0.00 C ATOM 399 NH1 ARG A 29 -18.158 2.831 17.087 1.00 0.00 N ATOM 400 NH2 ARG A 29 -18.447 1.731 19.080 1.00 0.00 N ATOM 0 H ARG A 29 -15.868 -1.448 13.514 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.662 -0.147 14.873 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.477 -1.005 15.550 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.360 -0.612 16.842 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.321 1.433 14.754 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.943 1.179 15.368 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.518 1.632 17.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.584 2.917 16.616 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.114 0.957 18.706 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.574 3.071 16.286 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.107 3.198 17.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.085 1.124 19.815 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.396 2.099 19.145 1.00 0.00 H new ATOM 414 N ARG A 30 -13.379 -3.112 14.756 1.00 0.00 N ATOM 415 CA ARG A 30 -12.765 -4.339 15.247 1.00 0.00 C ATOM 416 C ARG A 30 -11.397 -4.557 14.607 1.00 0.00 C ATOM 417 O ARG A 30 -10.414 -4.831 15.295 1.00 0.00 O ATOM 418 CB ARG A 30 -13.670 -5.539 14.961 1.00 0.00 C ATOM 419 CG ARG A 30 -13.409 -6.729 15.870 1.00 0.00 C ATOM 420 CD ARG A 30 -14.258 -7.928 15.476 1.00 0.00 C ATOM 421 NE ARG A 30 -15.597 -7.864 16.054 1.00 0.00 N ATOM 422 CZ ARG A 30 -16.487 -8.845 15.957 1.00 0.00 C ATOM 423 NH1 ARG A 30 -16.182 -9.960 15.308 1.00 0.00 N ATOM 424 NH2 ARG A 30 -17.686 -8.712 16.511 1.00 0.00 N ATOM 0 H ARG A 30 -13.459 -3.058 13.741 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.632 -4.242 16.324 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.710 -5.232 15.068 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.533 -5.847 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.354 -6.998 15.825 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.624 -6.453 16.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.334 -7.977 14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.766 -8.844 15.803 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.864 -7.020 16.560 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.262 -10.066 14.881 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.868 -10.712 15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.924 -7.856 17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.369 -9.466 16.436 1.00 0.00 H new ATOM 438 N ASP A 31 -11.342 -4.433 13.285 1.00 0.00 N ATOM 439 CA ASP A 31 -10.095 -4.616 12.551 1.00 0.00 C ATOM 440 C ASP A 31 -9.375 -3.284 12.365 1.00 0.00 C ATOM 441 O ASP A 31 -8.370 -3.203 11.657 1.00 0.00 O ATOM 442 CB ASP A 31 -10.369 -5.256 11.189 1.00 0.00 C ATOM 443 CG ASP A 31 -10.773 -6.713 11.305 1.00 0.00 C ATOM 444 OD1 ASP A 31 -9.879 -7.562 11.503 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.983 -7.004 11.198 1.00 0.00 O ATOM 0 H ASP A 31 -12.146 -4.207 12.700 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.453 -5.278 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.159 -4.702 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.477 -5.178 10.568 1.00 0.00 H new ATOM 450 N LEU A 32 -9.895 -2.241 13.003 1.00 0.00 N ATOM 451 CA LEU A 32 -9.302 -0.912 12.907 1.00 0.00 C ATOM 452 C LEU A 32 -7.846 -0.931 13.362 1.00 0.00 C ATOM 453 O LEU A 32 -6.950 -0.437 12.677 1.00 0.00 O ATOM 454 CB LEU A 32 -10.099 0.085 13.750 1.00 0.00 C ATOM 455 CG LEU A 32 -10.138 1.523 13.231 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.404 1.542 11.733 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.194 2.329 13.972 1.00 0.00 C ATOM 0 H LEU A 32 -10.726 -2.290 13.592 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.333 -0.602 11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.123 -0.278 13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.681 0.095 14.757 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.166 1.982 13.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.428 2.573 11.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.612 1.001 11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.363 1.066 11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.207 3.350 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.172 1.872 13.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.960 2.344 15.036 1.00 0.00 H new ATOM 469 N PRO A 33 -7.603 -1.517 14.544 1.00 0.00 N ATOM 470 CA PRO A 33 -6.256 -1.617 15.115 1.00 0.00 C ATOM 471 C PRO A 33 -5.369 -2.586 14.341 1.00 0.00 C ATOM 472 O PRO A 33 -4.143 -2.511 14.411 1.00 0.00 O ATOM 473 CB PRO A 33 -6.510 -2.139 16.531 1.00 0.00 C ATOM 474 CG PRO A 33 -7.809 -2.863 16.441 1.00 0.00 C ATOM 475 CD PRO A 33 -8.623 -2.127 15.413 1.00 0.00 C ATOM 0 HA PRO A 33 -5.728 -0.664 15.085 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.709 -2.802 16.858 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.561 -1.322 17.251 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.657 -3.902 16.148 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.317 -2.875 17.405 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.273 -2.802 14.857 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.263 -1.373 15.872 1.00 0.00 H new ATOM 483 N ALA A 34 -5.997 -3.496 13.603 1.00 0.00 N ATOM 484 CA ALA A 34 -5.264 -4.478 12.814 1.00 0.00 C ATOM 485 C ALA A 34 -5.120 -4.022 11.366 1.00 0.00 C ATOM 486 O ALA A 34 -4.672 -4.782 10.507 1.00 0.00 O ATOM 487 CB ALA A 34 -5.958 -5.831 12.878 1.00 0.00 C ATOM 0 H ALA A 34 -7.012 -3.573 13.535 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.264 -4.575 13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.400 -6.555 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.003 -6.168 13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.970 -5.740 12.482 1.00 0.00 H new ATOM 493 N HIS A 35 -5.504 -2.778 11.101 1.00 0.00 N ATOM 494 CA HIS A 35 -5.418 -2.221 9.756 1.00 0.00 C ATOM 495 C HIS A 35 -4.300 -1.187 9.666 1.00 0.00 C ATOM 496 O HIS A 35 -3.527 -1.175 8.708 1.00 0.00 O ATOM 497 CB HIS A 35 -6.750 -1.584 9.359 1.00 0.00 C ATOM 498 CG HIS A 35 -6.668 -0.747 8.119 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.353 -1.265 6.881 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.864 0.579 7.932 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.357 -0.294 5.986 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.665 0.836 6.598 1.00 0.00 N ATOM 0 H HIS A 35 -5.878 -2.136 11.800 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.193 -3.035 9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.489 -2.371 9.208 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.107 -0.965 10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.128 1.301 8.691 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.145 -0.405 4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.742 1.750 6.152 1.00 0.00 H new ATOM 510 N LEU A 36 -4.221 -0.320 10.670 1.00 0.00 N ATOM 511 CA LEU A 36 -3.198 0.719 10.705 1.00 0.00 C ATOM 512 C LEU A 36 -1.832 0.127 11.038 1.00 0.00 C ATOM 513 O LEU A 36 -0.824 0.833 11.042 1.00 0.00 O ATOM 514 CB LEU A 36 -3.566 1.791 11.731 1.00 0.00 C ATOM 515 CG LEU A 36 -5.059 2.077 11.898 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.277 3.237 12.856 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.699 2.370 10.549 1.00 0.00 C ATOM 0 H LEU A 36 -4.853 -0.316 11.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.145 1.175 9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.163 1.492 12.699 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.068 2.719 11.451 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.534 1.191 12.319 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.345 3.426 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.854 2.989 13.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.788 4.129 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.761 2.571 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.220 3.240 10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.575 1.509 9.893 1.00 0.00 H new ATOM 529 N GLN A 37 -1.807 -1.172 11.315 1.00 0.00 N ATOM 530 CA GLN A 37 -0.565 -1.858 11.648 1.00 0.00 C ATOM 531 C GLN A 37 0.193 -2.256 10.385 1.00 0.00 C ATOM 532 O GLN A 37 1.227 -1.673 10.060 1.00 0.00 O ATOM 533 CB GLN A 37 -0.853 -3.099 12.496 1.00 0.00 C ATOM 534 CG GLN A 37 0.318 -4.063 12.581 1.00 0.00 C ATOM 535 CD GLN A 37 -0.023 -5.330 13.342 1.00 0.00 C ATOM 536 OE1 GLN A 37 -0.682 -5.285 14.381 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.425 -6.469 12.827 1.00 0.00 N ATOM 0 H GLN A 37 -2.633 -1.771 11.315 1.00 0.00 H new ATOM 0 HA GLN A 37 0.057 -1.171 12.222 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.128 -2.785 13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.714 -3.622 12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.642 -4.325 11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.158 -3.567 13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.968 -6.460 11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.226 -7.353 13.295 1.00 0.00 H new ATOM 546 N HIS A 38 -0.329 -3.253 9.678 1.00 0.00 N ATOM 547 CA HIS A 38 0.298 -3.729 8.450 1.00 0.00 C ATOM 548 C HIS A 38 -0.750 -4.004 7.375 1.00 0.00 C ATOM 549 O HIS A 38 -0.503 -4.754 6.431 1.00 0.00 O ATOM 550 CB HIS A 38 1.109 -4.996 8.724 1.00 0.00 C ATOM 551 CG HIS A 38 0.268 -6.172 9.115 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.442 -7.432 8.583 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.757 -6.275 9.993 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.440 -8.259 9.116 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.180 -7.581 9.975 1.00 0.00 N ATOM 0 H HIS A 38 -1.184 -3.747 9.934 1.00 0.00 H new ATOM 0 HA HIS A 38 0.968 -2.949 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.683 -5.250 7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.827 -4.793 9.518 1.00 0.00 H new ATOM 0 HD1 HIS A 38 1.142 -7.686 7.886 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.166 -5.478 10.596 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.539 -9.310 8.888 1.00 0.00 H new ATOM 563 N ASP A 39 -1.919 -3.392 7.527 1.00 0.00 N ATOM 564 CA ASP A 39 -3.005 -3.571 6.570 1.00 0.00 C ATOM 565 C ASP A 39 -3.511 -2.223 6.065 1.00 0.00 C ATOM 566 O ASP A 39 -4.546 -2.145 5.402 1.00 0.00 O ATOM 567 CB ASP A 39 -4.153 -4.354 7.208 1.00 0.00 C ATOM 568 CG ASP A 39 -4.290 -5.751 6.636 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.346 -6.210 5.959 1.00 0.00 O ATOM 570 OD2 ASP A 39 -5.341 -6.385 6.863 1.00 0.00 O ATOM 0 H ASP A 39 -2.139 -2.768 8.303 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.619 -4.136 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.990 -4.420 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.086 -3.811 7.059 1.00 0.00 H new ATOM 575 N CYS A 40 -2.776 -1.163 6.383 1.00 0.00 N ATOM 576 CA CYS A 40 -3.150 0.182 5.964 1.00 0.00 C ATOM 577 C CYS A 40 -2.120 0.756 4.995 1.00 0.00 C ATOM 578 O CYS A 40 -0.911 0.647 5.199 1.00 0.00 O ATOM 579 CB CYS A 40 -3.286 1.099 7.181 1.00 0.00 C ATOM 580 SG CYS A 40 -3.626 2.840 6.766 1.00 0.00 S ATOM 0 H CYS A 40 -1.917 -1.210 6.930 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.111 0.122 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.089 0.725 7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.367 1.049 7.765 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.813 2.938 6.244 1.00 0.00 H new ATOM 585 N PRO A 41 -2.609 1.381 3.914 1.00 0.00 N ATOM 586 CA PRO A 41 -1.749 1.985 2.892 1.00 0.00 C ATOM 587 C PRO A 41 -1.025 3.226 3.403 1.00 0.00 C ATOM 588 O PRO A 41 0.124 3.480 3.040 1.00 0.00 O ATOM 589 CB PRO A 41 -2.731 2.360 1.779 1.00 0.00 C ATOM 590 CG PRO A 41 -4.040 2.532 2.469 1.00 0.00 C ATOM 591 CD PRO A 41 -4.040 1.548 3.607 1.00 0.00 C ATOM 0 HA PRO A 41 -0.958 1.306 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.426 3.277 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.784 1.581 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.157 3.552 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.869 2.341 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.594 1.927 4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.503 0.603 3.321 1.00 0.00 H new ATOM 599 N LYS A 42 -1.703 3.995 4.248 1.00 0.00 N ATOM 600 CA LYS A 42 -1.124 5.209 4.811 1.00 0.00 C ATOM 601 C LYS A 42 -0.749 5.004 6.276 1.00 0.00 C ATOM 602 O LYS A 42 -0.833 5.929 7.083 1.00 0.00 O ATOM 603 CB LYS A 42 -2.107 6.375 4.684 1.00 0.00 C ATOM 604 CG LYS A 42 -2.721 6.504 3.301 1.00 0.00 C ATOM 605 CD LYS A 42 -1.953 7.493 2.440 1.00 0.00 C ATOM 606 CE LYS A 42 -1.989 7.099 0.972 1.00 0.00 C ATOM 607 NZ LYS A 42 -1.018 7.887 0.162 1.00 0.00 N ATOM 0 H LYS A 42 -2.655 3.799 4.558 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.219 5.443 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.904 6.248 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.591 7.303 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.732 5.529 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.758 6.827 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.378 8.489 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.918 7.545 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.765 6.037 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.995 7.249 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.073 7.589 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.247 8.899 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.055 7.724 0.519 1.00 0.00 H new ATOM 621 N ARG A 43 -0.334 3.787 6.610 1.00 0.00 N ATOM 622 CA ARG A 43 0.055 3.461 7.977 1.00 0.00 C ATOM 623 C ARG A 43 0.779 4.634 8.631 1.00 0.00 C ATOM 624 O ARG A 43 0.738 4.801 9.850 1.00 0.00 O ATOM 625 CB ARG A 43 0.951 2.221 7.994 1.00 0.00 C ATOM 626 CG ARG A 43 2.059 2.257 6.955 1.00 0.00 C ATOM 627 CD ARG A 43 1.740 1.359 5.770 1.00 0.00 C ATOM 628 NE ARG A 43 2.949 0.887 5.099 1.00 0.00 N ATOM 629 CZ ARG A 43 2.942 0.256 3.930 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.796 0.023 3.305 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.084 -0.142 3.384 1.00 0.00 N ATOM 0 H ARG A 43 -0.258 3.010 5.953 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.851 3.253 8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.396 2.118 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.336 1.336 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.202 3.281 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.997 1.941 7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.157 0.503 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.120 1.904 5.058 1.00 0.00 H new ATOM 0 HE ARG A 43 3.848 1.051 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.917 0.329 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.794 -0.462 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.967 0.037 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.079 -0.627 2.486 1.00 0.00 H new ATOM 645 N ARG A 44 1.443 5.444 7.812 1.00 0.00 N ATOM 646 CA ARG A 44 2.178 6.600 8.310 1.00 0.00 C ATOM 647 C ARG A 44 3.302 6.167 9.247 1.00 0.00 C ATOM 648 O ARG A 44 3.473 6.729 10.330 1.00 0.00 O ATOM 649 CB ARG A 44 1.232 7.557 9.039 1.00 0.00 C ATOM 650 CG ARG A 44 0.321 8.340 8.107 1.00 0.00 C ATOM 651 CD ARG A 44 0.832 9.755 7.889 1.00 0.00 C ATOM 652 NE ARG A 44 1.253 10.385 9.138 1.00 0.00 N ATOM 653 CZ ARG A 44 2.137 11.374 9.201 1.00 0.00 C ATOM 654 NH1 ARG A 44 2.691 11.844 8.093 1.00 0.00 N ATOM 655 NH2 ARG A 44 2.468 11.895 10.376 1.00 0.00 N ATOM 0 H ARG A 44 1.487 5.320 6.800 1.00 0.00 H new ATOM 0 HA ARG A 44 2.618 7.115 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.620 6.987 9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.822 8.258 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.250 7.826 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.685 8.376 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.671 9.734 7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.049 10.356 7.426 1.00 0.00 H new ATOM 0 HE ARG A 44 0.846 10.047 10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.439 11.446 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.370 12.604 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.043 11.536 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.147 12.655 10.424 1.00 0.00 H new ATOM 669 N LEU A 45 4.064 5.165 8.824 1.00 0.00 N ATOM 670 CA LEU A 45 5.172 4.656 9.625 1.00 0.00 C ATOM 671 C LEU A 45 6.502 4.853 8.903 1.00 0.00 C ATOM 672 O LEU A 45 6.827 4.121 7.968 1.00 0.00 O ATOM 673 CB LEU A 45 4.963 3.173 9.936 1.00 0.00 C ATOM 674 CG LEU A 45 4.182 2.859 11.213 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.555 1.476 11.129 1.00 0.00 C ATOM 676 CD2 LEU A 45 5.088 2.963 12.431 1.00 0.00 C ATOM 0 H LEU A 45 3.935 4.689 7.931 1.00 0.00 H new ATOM 0 HA LEU A 45 5.200 5.217 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.443 2.715 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.940 2.695 10.005 1.00 0.00 H new ATOM 0 HG LEU A 45 3.382 3.592 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.004 1.270 12.046 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.873 1.436 10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.338 0.729 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.516 2.736 13.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.909 2.253 12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.489 3.974 12.501 1.00 0.00 H new ATOM 688 N LYS A 46 7.267 5.845 9.344 1.00 0.00 N ATOM 689 CA LYS A 46 8.563 6.137 8.744 1.00 0.00 C ATOM 690 C LYS A 46 9.695 5.852 9.726 1.00 0.00 C ATOM 691 O LYS A 46 9.531 5.999 10.938 1.00 0.00 O ATOM 692 CB LYS A 46 8.622 7.598 8.293 1.00 0.00 C ATOM 693 CG LYS A 46 9.999 8.036 7.826 1.00 0.00 C ATOM 694 CD LYS A 46 10.821 8.604 8.971 1.00 0.00 C ATOM 695 CE LYS A 46 10.597 10.100 9.130 1.00 0.00 C ATOM 696 NZ LYS A 46 9.150 10.435 9.238 1.00 0.00 N ATOM 0 H LYS A 46 7.012 6.461 10.116 1.00 0.00 H new ATOM 0 HA LYS A 46 8.687 5.489 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.908 7.748 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.307 8.237 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.523 7.187 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.897 8.787 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.556 8.095 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.879 8.410 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.119 10.453 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.029 10.625 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.042 11.451 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.671 10.198 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.724 9.889 10.014 1.00 0.00 H new ATOM 710 N CYS A 47 10.844 5.445 9.197 1.00 0.00 N ATOM 711 CA CYS A 47 12.003 5.140 10.026 1.00 0.00 C ATOM 712 C CYS A 47 12.850 6.389 10.258 1.00 0.00 C ATOM 713 O CYS A 47 13.438 6.933 9.324 1.00 0.00 O ATOM 714 CB CYS A 47 12.852 4.049 9.371 1.00 0.00 C ATOM 715 SG CYS A 47 14.108 3.322 10.473 1.00 0.00 S ATOM 0 H CYS A 47 10.997 5.319 8.196 1.00 0.00 H new ATOM 0 HA CYS A 47 11.644 4.781 10.991 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.194 3.256 9.015 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.350 4.467 8.496 1.00 0.00 H new ATOM 0 HG CYS A 47 13.598 2.303 11.099 1.00 0.00 H new ATOM 720 N GLU A 48 12.905 6.835 11.509 1.00 0.00 N ATOM 721 CA GLU A 48 13.679 8.020 11.862 1.00 0.00 C ATOM 722 C GLU A 48 15.177 7.735 11.781 1.00 0.00 C ATOM 723 O GLU A 48 16.001 8.609 12.050 1.00 0.00 O ATOM 724 CB GLU A 48 13.314 8.493 13.271 1.00 0.00 C ATOM 725 CG GLU A 48 13.488 7.424 14.336 1.00 0.00 C ATOM 726 CD GLU A 48 13.301 7.964 15.741 1.00 0.00 C ATOM 727 OE1 GLU A 48 13.182 9.198 15.890 1.00 0.00 O ATOM 728 OE2 GLU A 48 13.275 7.154 16.690 1.00 0.00 O ATOM 0 H GLU A 48 12.424 6.395 12.294 1.00 0.00 H new ATOM 0 HA GLU A 48 13.437 8.807 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.932 9.354 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.278 8.832 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.771 6.622 14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.483 6.987 14.248 1.00 0.00 H new ATOM 735 N PHE A 49 15.520 6.507 11.410 1.00 0.00 N ATOM 736 CA PHE A 49 16.917 6.106 11.295 1.00 0.00 C ATOM 737 C PHE A 49 17.399 6.219 9.851 1.00 0.00 C ATOM 738 O PHE A 49 18.421 6.848 9.573 1.00 0.00 O ATOM 739 CB PHE A 49 17.101 4.671 11.794 1.00 0.00 C ATOM 740 CG PHE A 49 16.675 4.474 13.221 1.00 0.00 C ATOM 741 CD1 PHE A 49 15.348 4.630 13.589 1.00 0.00 C ATOM 742 CD2 PHE A 49 17.601 4.132 14.193 1.00 0.00 C ATOM 743 CE1 PHE A 49 14.953 4.449 14.901 1.00 0.00 C ATOM 744 CE2 PHE A 49 17.211 3.949 15.507 1.00 0.00 C ATOM 745 CZ PHE A 49 15.886 4.109 15.861 1.00 0.00 C ATOM 0 H PHE A 49 14.850 5.772 11.184 1.00 0.00 H new ATOM 0 HA PHE A 49 17.513 6.778 11.913 1.00 0.00 H new ATOM 0 HB2 PHE A 49 16.530 3.997 11.156 1.00 0.00 H new ATOM 0 HB3 PHE A 49 18.150 4.392 11.694 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.614 4.896 12.842 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.639 4.007 13.922 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.916 4.573 15.175 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.942 3.681 16.256 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.580 3.968 16.887 1.00 0.00 H new ATOM 755 N CYS A 50 16.656 5.606 8.936 1.00 0.00 N ATOM 756 CA CYS A 50 17.005 5.636 7.521 1.00 0.00 C ATOM 757 C CYS A 50 16.075 6.568 6.751 1.00 0.00 C ATOM 758 O CYS A 50 16.454 7.135 5.727 1.00 0.00 O ATOM 759 CB CYS A 50 16.940 4.227 6.928 1.00 0.00 C ATOM 760 SG CYS A 50 15.292 3.456 7.025 1.00 0.00 S ATOM 0 H CYS A 50 15.807 5.082 9.150 1.00 0.00 H new ATOM 0 HA CYS A 50 18.024 6.013 7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.249 4.269 5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.658 3.592 7.447 1.00 0.00 H new ATOM 0 HG CYS A 50 14.964 3.287 8.272 1.00 0.00 H new ATOM 765 N GLY A 51 14.852 6.722 7.251 1.00 0.00 N ATOM 766 CA GLY A 51 13.886 7.585 6.598 1.00 0.00 C ATOM 767 C GLY A 51 13.150 6.885 5.473 1.00 0.00 C ATOM 768 O GLY A 51 12.901 7.477 4.422 1.00 0.00 O ATOM 0 H GLY A 51 14.514 6.264 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.165 7.940 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.397 8.463 6.203 1.00 0.00 H new ATOM 772 N CYS A 52 12.802 5.622 5.693 1.00 0.00 N ATOM 773 CA CYS A 52 12.091 4.840 4.688 1.00 0.00 C ATOM 774 C CYS A 52 10.802 4.260 5.261 1.00 0.00 C ATOM 775 O CYS A 52 10.830 3.492 6.223 1.00 0.00 O ATOM 776 CB CYS A 52 12.983 3.713 4.164 1.00 0.00 C ATOM 777 SG CYS A 52 14.394 4.282 3.186 1.00 0.00 S ATOM 0 H CYS A 52 13.000 5.118 6.557 1.00 0.00 H new ATOM 0 HA CYS A 52 11.833 5.504 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.351 3.133 5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.380 3.040 3.554 1.00 0.00 H new ATOM 0 HG CYS A 52 15.089 3.257 2.790 1.00 0.00 H new ATOM 783 N ASP A 53 9.675 4.633 4.666 1.00 0.00 N ATOM 784 CA ASP A 53 8.375 4.151 5.118 1.00 0.00 C ATOM 785 C ASP A 53 8.384 2.633 5.275 1.00 0.00 C ATOM 786 O ASP A 53 9.052 1.924 4.523 1.00 0.00 O ATOM 787 CB ASP A 53 7.282 4.568 4.133 1.00 0.00 C ATOM 788 CG ASP A 53 7.025 6.062 4.151 1.00 0.00 C ATOM 789 OD1 ASP A 53 7.683 6.767 4.945 1.00 0.00 O ATOM 790 OD2 ASP A 53 6.167 6.525 3.372 1.00 0.00 O ATOM 0 H ASP A 53 9.635 5.268 3.869 1.00 0.00 H new ATOM 0 HA ASP A 53 8.166 4.598 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.569 4.264 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.359 4.041 4.374 1.00 0.00 H new ATOM 795 N PHE A 54 7.638 2.142 6.259 1.00 0.00 N ATOM 796 CA PHE A 54 7.561 0.709 6.517 1.00 0.00 C ATOM 797 C PHE A 54 6.185 0.326 7.054 1.00 0.00 C ATOM 798 O PHE A 54 5.366 1.190 7.367 1.00 0.00 O ATOM 799 CB PHE A 54 8.644 0.289 7.512 1.00 0.00 C ATOM 800 CG PHE A 54 10.030 0.305 6.933 1.00 0.00 C ATOM 801 CD1 PHE A 54 10.372 -0.549 5.897 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.990 1.175 7.423 1.00 0.00 C ATOM 803 CE1 PHE A 54 11.646 -0.536 5.362 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.266 1.193 6.893 1.00 0.00 C ATOM 805 CZ PHE A 54 12.594 0.336 5.860 1.00 0.00 C ATOM 0 H PHE A 54 7.078 2.715 6.891 1.00 0.00 H new ATOM 0 HA PHE A 54 7.722 0.187 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.612 0.955 8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.422 -0.714 7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.635 -1.233 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.738 1.848 8.229 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.900 -1.207 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.005 1.875 7.285 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.590 0.348 5.443 1.00 0.00 H new ATOM 815 N SER A 55 5.938 -0.976 7.158 1.00 0.00 N ATOM 816 CA SER A 55 4.660 -1.475 7.653 1.00 0.00 C ATOM 817 C SER A 55 4.767 -1.884 9.119 1.00 0.00 C ATOM 818 O SER A 55 5.840 -1.815 9.717 1.00 0.00 O ATOM 819 CB SER A 55 4.193 -2.665 6.813 1.00 0.00 C ATOM 820 OG SER A 55 4.643 -2.552 5.474 1.00 0.00 O ATOM 0 H SER A 55 6.606 -1.704 6.906 1.00 0.00 H new ATOM 0 HA SER A 55 3.928 -0.671 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.568 -3.591 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.105 -2.722 6.831 1.00 0.00 H new ATOM 0 HG SER A 55 4.333 -3.325 4.958 1.00 0.00 H new ATOM 826 N GLY A 56 3.646 -2.309 9.692 1.00 0.00 N ATOM 827 CA GLY A 56 3.634 -2.723 11.083 1.00 0.00 C ATOM 828 C GLY A 56 4.383 -4.021 11.308 1.00 0.00 C ATOM 829 O GLY A 56 5.053 -4.189 12.327 1.00 0.00 O ATOM 0 H GLY A 56 2.745 -2.374 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.079 -1.939 11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.602 -2.840 11.415 1.00 0.00 H new ATOM 833 N GLU A 57 4.269 -4.941 10.356 1.00 0.00 N ATOM 834 CA GLU A 57 4.940 -6.232 10.457 1.00 0.00 C ATOM 835 C GLU A 57 6.390 -6.129 9.995 1.00 0.00 C ATOM 836 O GLU A 57 7.264 -6.835 10.497 1.00 0.00 O ATOM 837 CB GLU A 57 4.201 -7.283 9.626 1.00 0.00 C ATOM 838 CG GLU A 57 4.050 -6.904 8.162 1.00 0.00 C ATOM 839 CD GLU A 57 3.294 -7.949 7.364 1.00 0.00 C ATOM 840 OE1 GLU A 57 2.581 -8.766 7.984 1.00 0.00 O ATOM 841 OE2 GLU A 57 3.416 -7.950 6.122 1.00 0.00 O ATOM 0 H GLU A 57 3.719 -4.817 9.506 1.00 0.00 H new ATOM 0 HA GLU A 57 4.931 -6.536 11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.736 -8.230 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.212 -7.444 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.529 -5.950 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.038 -6.762 7.724 1.00 0.00 H new ATOM 848 N ALA A 58 6.638 -5.245 9.034 1.00 0.00 N ATOM 849 CA ALA A 58 7.981 -5.048 8.504 1.00 0.00 C ATOM 850 C ALA A 58 8.842 -4.246 9.475 1.00 0.00 C ATOM 851 O ALA A 58 9.973 -4.628 9.777 1.00 0.00 O ATOM 852 CB ALA A 58 7.919 -4.352 7.152 1.00 0.00 C ATOM 0 H ALA A 58 5.925 -4.654 8.607 1.00 0.00 H new ATOM 0 HA ALA A 58 8.441 -6.028 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.930 -4.212 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.348 -4.964 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.435 -3.382 7.264 1.00 0.00 H new ATOM 858 N TYR A 59 8.300 -3.134 9.958 1.00 0.00 N ATOM 859 CA TYR A 59 9.020 -2.277 10.892 1.00 0.00 C ATOM 860 C TYR A 59 9.609 -3.093 12.039 1.00 0.00 C ATOM 861 O TYR A 59 10.762 -2.902 12.422 1.00 0.00 O ATOM 862 CB TYR A 59 8.090 -1.196 11.446 1.00 0.00 C ATOM 863 CG TYR A 59 8.808 -0.128 12.240 1.00 0.00 C ATOM 864 CD1 TYR A 59 9.287 -0.388 13.518 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.007 1.142 11.712 1.00 0.00 C ATOM 866 CE1 TYR A 59 9.943 0.585 14.247 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.663 2.121 12.434 1.00 0.00 C ATOM 868 CZ TYR A 59 10.129 1.837 13.700 1.00 0.00 C ATOM 869 OH TYR A 59 10.781 2.810 14.423 1.00 0.00 O ATOM 0 H TYR A 59 7.365 -2.805 9.718 1.00 0.00 H new ATOM 0 HA TYR A 59 9.838 -1.801 10.351 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.559 -0.726 10.618 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.339 -1.665 12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.144 -1.368 13.949 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.643 1.368 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.308 0.366 15.240 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.810 3.103 12.009 1.00 0.00 H new ATOM 0 HH TYR A 59 10.830 3.633 13.894 1.00 0.00 H new ATOM 879 N GLU A 60 8.807 -4.004 12.580 1.00 0.00 N ATOM 880 CA GLU A 60 9.248 -4.850 13.683 1.00 0.00 C ATOM 881 C GLU A 60 10.604 -5.479 13.378 1.00 0.00 C ATOM 882 O GLU A 60 11.545 -5.363 14.163 1.00 0.00 O ATOM 883 CB GLU A 60 8.216 -5.946 13.959 1.00 0.00 C ATOM 884 CG GLU A 60 7.063 -5.490 14.837 1.00 0.00 C ATOM 885 CD GLU A 60 7.515 -5.074 16.223 1.00 0.00 C ATOM 886 OE1 GLU A 60 8.452 -5.706 16.756 1.00 0.00 O ATOM 887 OE2 GLU A 60 6.933 -4.117 16.776 1.00 0.00 O ATOM 0 H GLU A 60 7.849 -4.175 12.273 1.00 0.00 H new ATOM 0 HA GLU A 60 9.348 -4.224 14.569 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.819 -6.306 13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.714 -6.790 14.437 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.555 -4.653 14.358 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.335 -6.297 14.923 1.00 0.00 H new ATOM 894 N SER A 61 10.696 -6.145 12.231 1.00 0.00 N ATOM 895 CA SER A 61 11.936 -6.796 11.823 1.00 0.00 C ATOM 896 C SER A 61 12.968 -5.767 11.373 1.00 0.00 C ATOM 897 O SER A 61 14.174 -6.002 11.458 1.00 0.00 O ATOM 898 CB SER A 61 11.665 -7.792 10.693 1.00 0.00 C ATOM 899 OG SER A 61 11.182 -7.131 9.536 1.00 0.00 O ATOM 0 H SER A 61 9.927 -6.248 11.568 1.00 0.00 H new ATOM 0 HA SER A 61 12.336 -7.333 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.581 -8.331 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.937 -8.533 11.023 1.00 0.00 H new ATOM 0 HG SER A 61 10.817 -6.257 9.787 1.00 0.00 H new ATOM 905 N HIS A 62 12.485 -4.625 10.894 1.00 0.00 N ATOM 906 CA HIS A 62 13.365 -3.557 10.431 1.00 0.00 C ATOM 907 C HIS A 62 14.161 -2.967 11.591 1.00 0.00 C ATOM 908 O HIS A 62 15.198 -2.337 11.387 1.00 0.00 O ATOM 909 CB HIS A 62 12.552 -2.460 9.744 1.00 0.00 C ATOM 910 CG HIS A 62 13.396 -1.407 9.095 1.00 0.00 C ATOM 911 ND1 HIS A 62 14.013 -1.584 7.874 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.722 -0.158 9.502 1.00 0.00 C ATOM 913 CE1 HIS A 62 14.684 -0.490 7.560 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.524 0.391 8.531 1.00 0.00 N ATOM 0 H HIS A 62 11.490 -4.415 10.816 1.00 0.00 H new ATOM 0 HA HIS A 62 14.066 -3.983 9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.909 -2.914 8.990 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.899 -1.989 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.410 0.318 10.420 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.265 -0.341 6.662 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.930 1.326 8.556 1.00 0.00 H new ATOM 922 N GLU A 63 13.666 -3.175 12.808 1.00 0.00 N ATOM 923 CA GLU A 63 14.331 -2.661 14.000 1.00 0.00 C ATOM 924 C GLU A 63 15.657 -3.379 14.235 1.00 0.00 C ATOM 925 O GLU A 63 15.723 -4.607 14.213 1.00 0.00 O ATOM 926 CB GLU A 63 13.428 -2.822 15.224 1.00 0.00 C ATOM 927 CG GLU A 63 14.079 -2.378 16.523 1.00 0.00 C ATOM 928 CD GLU A 63 14.514 -0.926 16.491 1.00 0.00 C ATOM 929 OE1 GLU A 63 13.646 -0.050 16.291 1.00 0.00 O ATOM 930 OE2 GLU A 63 15.723 -0.665 16.667 1.00 0.00 O ATOM 0 H GLU A 63 12.808 -3.695 12.994 1.00 0.00 H new ATOM 0 HA GLU A 63 14.534 -1.601 13.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.515 -2.247 15.070 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.134 -3.868 15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.379 -2.525 17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.945 -3.008 16.725 1.00 0.00 H new ATOM 937 N GLY A 64 16.713 -2.602 14.458 1.00 0.00 N ATOM 938 CA GLY A 64 18.023 -3.180 14.694 1.00 0.00 C ATOM 939 C GLY A 64 18.736 -3.544 13.406 1.00 0.00 C ATOM 940 O GLY A 64 19.961 -3.461 13.322 1.00 0.00 O ATOM 0 H GLY A 64 16.684 -1.583 14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.633 -2.473 15.256 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.918 -4.072 15.312 1.00 0.00 H new ATOM 944 N MET A 65 17.967 -3.950 12.401 1.00 0.00 N ATOM 945 CA MET A 65 18.534 -4.329 11.111 1.00 0.00 C ATOM 946 C MET A 65 18.528 -3.147 10.147 1.00 0.00 C ATOM 947 O MET A 65 19.113 -3.213 9.065 1.00 0.00 O ATOM 948 CB MET A 65 17.750 -5.497 10.509 1.00 0.00 C ATOM 949 CG MET A 65 16.598 -5.061 9.618 1.00 0.00 C ATOM 950 SD MET A 65 15.619 -6.451 9.018 1.00 0.00 S ATOM 951 CE MET A 65 16.617 -6.994 7.633 1.00 0.00 C ATOM 0 H MET A 65 16.951 -4.025 12.454 1.00 0.00 H new ATOM 0 HA MET A 65 19.567 -4.639 11.272 1.00 0.00 H new ATOM 0 HB2 MET A 65 18.431 -6.121 9.930 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.360 -6.116 11.316 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.953 -4.380 10.173 1.00 0.00 H new ATOM 0 HG3 MET A 65 16.992 -4.505 8.767 1.00 0.00 H new ATOM 0 HE1 MET A 65 16.142 -7.851 7.156 1.00 0.00 H new ATOM 0 HE2 MET A 65 16.710 -6.182 6.911 1.00 0.00 H new ATOM 0 HE3 MET A 65 17.607 -7.279 7.988 1.00 0.00 H new ATOM 961 N CYS A 66 17.864 -2.067 10.546 1.00 0.00 N ATOM 962 CA CYS A 66 17.782 -0.870 9.717 1.00 0.00 C ATOM 963 C CYS A 66 19.077 -0.657 8.939 1.00 0.00 C ATOM 964 O CYS A 66 20.179 -0.832 9.460 1.00 0.00 O ATOM 965 CB CYS A 66 17.487 0.356 10.583 1.00 0.00 C ATOM 966 SG CYS A 66 17.617 1.942 9.696 1.00 0.00 S ATOM 0 H CYS A 66 17.375 -1.996 11.438 1.00 0.00 H new ATOM 0 HA CYS A 66 16.969 -1.007 9.004 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.482 0.263 10.994 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.177 0.366 11.427 1.00 0.00 H new ATOM 0 HG CYS A 66 16.451 2.516 9.660 1.00 0.00 H new ATOM 971 N PRO A 67 18.943 -0.270 7.662 1.00 0.00 N ATOM 972 CA PRO A 67 20.092 -0.024 6.785 1.00 0.00 C ATOM 973 C PRO A 67 20.869 1.226 7.184 1.00 0.00 C ATOM 974 O PRO A 67 22.093 1.269 7.068 1.00 0.00 O ATOM 975 CB PRO A 67 19.452 0.162 5.406 1.00 0.00 C ATOM 976 CG PRO A 67 18.066 0.627 5.692 1.00 0.00 C ATOM 977 CD PRO A 67 17.661 -0.043 6.975 1.00 0.00 C ATOM 0 HA PRO A 67 20.818 -0.836 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.000 0.892 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.448 -0.771 4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.031 1.712 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.389 0.358 4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.995 0.587 7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.133 -0.979 6.790 1.00 0.00 H new ATOM 985 N GLN A 68 20.149 2.239 7.655 1.00 0.00 N ATOM 986 CA GLN A 68 20.773 3.490 8.071 1.00 0.00 C ATOM 987 C GLN A 68 20.427 3.814 9.521 1.00 0.00 C ATOM 988 O GLN A 68 19.820 4.846 9.808 1.00 0.00 O ATOM 989 CB GLN A 68 20.327 4.634 7.160 1.00 0.00 C ATOM 990 CG GLN A 68 21.227 4.835 5.951 1.00 0.00 C ATOM 991 CD GLN A 68 21.079 6.212 5.335 1.00 0.00 C ATOM 992 OE1 GLN A 68 20.039 6.857 5.471 1.00 0.00 O ATOM 993 NE2 GLN A 68 22.121 6.671 4.653 1.00 0.00 N ATOM 0 H GLN A 68 19.134 2.218 7.758 1.00 0.00 H new ATOM 0 HA GLN A 68 21.854 3.372 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.311 4.440 6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.298 5.558 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 68 22.265 4.683 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 68 20.995 4.079 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 68 22.964 6.103 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 68 22.079 7.592 4.217 1.00 0.00 H new ATOM 1002 N GLU A 69 20.817 2.927 10.430 1.00 0.00 N ATOM 1003 CA GLU A 69 20.546 3.119 11.850 1.00 0.00 C ATOM 1004 C GLU A 69 20.895 4.541 12.282 1.00 0.00 C ATOM 1005 O GLU A 69 20.023 5.308 12.692 1.00 0.00 O ATOM 1006 CB GLU A 69 21.340 2.112 12.685 1.00 0.00 C ATOM 1007 CG GLU A 69 21.530 0.769 11.999 1.00 0.00 C ATOM 1008 CD GLU A 69 21.664 -0.375 12.985 1.00 0.00 C ATOM 1009 OE1 GLU A 69 21.776 -0.102 14.198 1.00 0.00 O ATOM 1010 OE2 GLU A 69 21.658 -1.543 12.543 1.00 0.00 O ATOM 0 H GLU A 69 21.322 2.068 10.209 1.00 0.00 H new ATOM 0 HA GLU A 69 19.481 2.957 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.318 2.535 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.828 1.956 13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.683 0.579 11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.420 0.809 11.371 1.00 0.00 H new