USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 CYS SG : rot 70:sc= 0.672 USER MOD Set 1.2: A 50 CYS SG : rot -67:sc= 0.0188 USER MOD Set 1.3: A 52 CYS SG : rot 94:sc= 0.255 USER MOD Set 1.4: A 62 HIS : no HD1:sc= -3.78 K(o=-6,f=-4) USER MOD Set 1.5: A 66 CYS SG : rot 124:sc= -3.18 USER MOD Set 2.1: A 19 CYS SG : rot 60:sc= -5.52! USER MOD Set 2.2: A 21 ASN : amide:sc= -8.54! C(o=-22!,f=-23!) USER MOD Set 2.3: A 23 CYS SG : rot 4:sc= -1.03 USER MOD Set 2.4: A 25 MET CE :methyl -136:sc= -1.06 (180deg=-2.63!) USER MOD Set 2.5: A 35 HIS : no HD1:sc= -3.9! C(o=-22!,f=-23!) USER MOD Set 2.6: A 40 CYS SG : rot 102:sc= -1.87! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.713! USER MOD Single : A 37 GLN : amide:sc= -0.0558 K(o=-0.056,f=-1.4!) USER MOD Single : A 38 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.42) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.253 1.750 9.684 1.00 0.00 N ATOM 203 CA ILE A 17 -15.868 3.142 9.878 1.00 0.00 C ATOM 204 C ILE A 17 -14.628 3.488 9.060 1.00 0.00 C ATOM 205 O ILE A 17 -13.816 2.626 8.722 1.00 0.00 O ATOM 206 CB ILE A 17 -15.592 3.448 11.362 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.794 2.310 12.000 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.899 3.671 12.108 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.434 2.562 13.448 1.00 0.00 C ATOM 0 HA ILE A 17 -16.706 3.752 9.540 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.000 4.361 11.426 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.373 1.389 11.933 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.879 2.154 11.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.688 3.886 13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.432 4.512 11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.515 2.774 12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.869 1.714 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.828 3.465 13.520 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.345 2.689 14.033 1.00 0.00 H new ATOM 221 N PRO A 18 -14.475 4.780 8.735 1.00 0.00 N ATOM 222 CA PRO A 18 -13.335 5.271 7.955 1.00 0.00 C ATOM 223 C PRO A 18 -12.029 5.213 8.738 1.00 0.00 C ATOM 224 O PRO A 18 -12.021 5.345 9.963 1.00 0.00 O ATOM 225 CB PRO A 18 -13.712 6.723 7.651 1.00 0.00 C ATOM 226 CG PRO A 18 -14.645 7.110 8.746 1.00 0.00 C ATOM 227 CD PRO A 18 -15.404 5.862 9.104 1.00 0.00 C ATOM 0 HA PRO A 18 -13.160 4.666 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.832 7.366 7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.189 6.812 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.098 7.495 9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.323 7.899 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.653 5.834 10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.343 5.791 8.554 1.00 0.00 H new ATOM 235 N CYS A 19 -10.925 5.015 8.025 1.00 0.00 N ATOM 236 CA CYS A 19 -9.612 4.939 8.654 1.00 0.00 C ATOM 237 C CYS A 19 -9.142 6.321 9.101 1.00 0.00 C ATOM 238 O CYS A 19 -9.232 7.303 8.363 1.00 0.00 O ATOM 239 CB CYS A 19 -8.594 4.331 7.686 1.00 0.00 C ATOM 240 SG CYS A 19 -7.060 3.759 8.483 1.00 0.00 S ATOM 0 H CYS A 19 -10.914 4.904 7.011 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.694 4.300 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.057 3.491 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.342 5.072 6.928 1.00 0.00 H new ATOM 0 HG CYS A 19 -7.343 2.847 9.365 1.00 0.00 H new ATOM 245 N PRO A 20 -8.628 6.399 10.337 1.00 0.00 N ATOM 246 CA PRO A 20 -8.133 7.655 10.910 1.00 0.00 C ATOM 247 C PRO A 20 -6.849 8.131 10.240 1.00 0.00 C ATOM 248 O PRO A 20 -6.495 9.306 10.321 1.00 0.00 O ATOM 249 CB PRO A 20 -7.871 7.297 12.375 1.00 0.00 C ATOM 250 CG PRO A 20 -7.627 5.827 12.368 1.00 0.00 C ATOM 251 CD PRO A 20 -8.490 5.269 11.271 1.00 0.00 C ATOM 0 HA PRO A 20 -8.842 8.472 10.777 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.011 7.839 12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.723 7.554 13.004 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.575 5.607 12.187 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.884 5.384 13.330 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.025 4.407 10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.458 4.940 11.649 1.00 0.00 H new ATOM 259 N ASN A 21 -6.156 7.211 9.578 1.00 0.00 N ATOM 260 CA ASN A 21 -4.910 7.537 8.894 1.00 0.00 C ATOM 261 C ASN A 21 -5.170 8.439 7.691 1.00 0.00 C ATOM 262 O ASN A 21 -4.239 8.984 7.098 1.00 0.00 O ATOM 263 CB ASN A 21 -4.201 6.259 8.443 1.00 0.00 C ATOM 264 CG ASN A 21 -3.731 5.415 9.613 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.314 5.457 10.696 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.673 4.643 9.397 1.00 0.00 N ATOM 0 H ASN A 21 -6.436 6.233 9.501 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.269 8.071 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.877 5.671 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.345 6.522 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.311 4.052 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.222 4.641 8.482 1.00 0.00 H new ATOM 273 N ARG A 22 -6.442 8.592 7.338 1.00 0.00 N ATOM 274 CA ARG A 22 -6.825 9.427 6.206 1.00 0.00 C ATOM 275 C ARG A 22 -6.720 8.650 4.897 1.00 0.00 C ATOM 276 O ARG A 22 -6.589 9.238 3.822 1.00 0.00 O ATOM 277 CB ARG A 22 -5.942 10.675 6.143 1.00 0.00 C ATOM 278 CG ARG A 22 -4.807 10.568 5.138 1.00 0.00 C ATOM 279 CD ARG A 22 -3.566 11.304 5.619 1.00 0.00 C ATOM 280 NE ARG A 22 -3.548 12.695 5.173 1.00 0.00 N ATOM 281 CZ ARG A 22 -2.657 13.588 5.589 1.00 0.00 C ATOM 282 NH1 ARG A 22 -1.716 13.238 6.455 1.00 0.00 N ATOM 283 NH2 ARG A 22 -2.705 14.835 5.138 1.00 0.00 N ATOM 0 H ARG A 22 -7.224 8.149 7.819 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.862 9.731 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.561 11.535 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.524 10.864 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.566 9.518 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.127 10.979 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.524 11.272 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.676 10.794 5.251 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.258 12.997 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.675 12.280 6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.033 13.926 6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.427 15.109 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.020 15.520 5.458 1.00 0.00 H new ATOM 297 N CYS A 23 -6.777 7.326 4.994 1.00 0.00 N ATOM 298 CA CYS A 23 -6.687 6.468 3.820 1.00 0.00 C ATOM 299 C CYS A 23 -8.075 6.056 3.339 1.00 0.00 C ATOM 300 O CYS A 23 -8.970 5.756 4.130 1.00 0.00 O ATOM 301 CB CYS A 23 -5.854 5.223 4.134 1.00 0.00 C ATOM 302 SG CYS A 23 -6.813 3.848 4.848 1.00 0.00 S ATOM 0 H CYS A 23 -6.885 6.824 5.875 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.199 7.033 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.374 4.880 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.059 5.496 4.828 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.074 4.165 4.872 1.00 0.00 H new ATOM 307 N PRO A 24 -8.261 6.041 2.010 1.00 0.00 N ATOM 308 CA PRO A 24 -9.537 5.668 1.394 1.00 0.00 C ATOM 309 C PRO A 24 -9.845 4.183 1.552 1.00 0.00 C ATOM 310 O PRO A 24 -9.921 3.447 0.569 1.00 0.00 O ATOM 311 CB PRO A 24 -9.334 6.017 -0.083 1.00 0.00 C ATOM 312 CG PRO A 24 -7.860 5.947 -0.289 1.00 0.00 C ATOM 313 CD PRO A 24 -7.239 6.387 1.008 1.00 0.00 C ATOM 0 HA PRO A 24 -10.378 6.184 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.858 5.315 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.719 7.011 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.550 4.934 -0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.550 6.594 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.298 5.871 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.022 7.455 1.008 1.00 0.00 H new ATOM 321 N MET A 25 -10.022 3.749 2.796 1.00 0.00 N ATOM 322 CA MET A 25 -10.323 2.351 3.082 1.00 0.00 C ATOM 323 C MET A 25 -11.052 2.214 4.415 1.00 0.00 C ATOM 324 O MET A 25 -10.633 2.782 5.424 1.00 0.00 O ATOM 325 CB MET A 25 -9.037 1.524 3.103 1.00 0.00 C ATOM 326 CG MET A 25 -8.739 0.830 1.783 1.00 0.00 C ATOM 327 SD MET A 25 -9.382 -0.854 1.724 1.00 0.00 S ATOM 328 CE MET A 25 -8.605 -1.565 3.172 1.00 0.00 C ATOM 0 H MET A 25 -9.962 4.345 3.622 1.00 0.00 H new ATOM 0 HA MET A 25 -10.974 1.976 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.201 2.174 3.359 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.110 0.774 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.171 1.409 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.661 0.809 1.623 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.219 -2.555 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.784 -0.925 3.496 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.338 -1.649 3.974 1.00 0.00 H new ATOM 338 N LYS A 26 -12.143 1.456 4.413 1.00 0.00 N ATOM 339 CA LYS A 26 -12.930 1.243 5.622 1.00 0.00 C ATOM 340 C LYS A 26 -12.887 -0.221 6.048 1.00 0.00 C ATOM 341 O LYS A 26 -13.001 -1.123 5.217 1.00 0.00 O ATOM 342 CB LYS A 26 -14.380 1.677 5.395 1.00 0.00 C ATOM 343 CG LYS A 26 -14.588 3.178 5.497 1.00 0.00 C ATOM 344 CD LYS A 26 -15.820 3.624 4.727 1.00 0.00 C ATOM 345 CE LYS A 26 -16.056 5.120 4.871 1.00 0.00 C ATOM 346 NZ LYS A 26 -17.098 5.610 3.927 1.00 0.00 N ATOM 0 H LYS A 26 -12.503 0.978 3.587 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.497 1.848 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.701 1.340 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.018 1.180 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.690 3.462 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.710 3.695 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.702 3.373 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.693 3.080 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.359 5.343 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.123 5.654 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.230 6.634 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.798 5.420 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.995 5.119 4.115 1.00 0.00 H new ATOM 360 N LEU A 27 -12.724 -0.450 7.346 1.00 0.00 N ATOM 361 CA LEU A 27 -12.669 -1.806 7.882 1.00 0.00 C ATOM 362 C LEU A 27 -13.784 -2.036 8.897 1.00 0.00 C ATOM 363 O LEU A 27 -14.739 -2.764 8.630 1.00 0.00 O ATOM 364 CB LEU A 27 -11.309 -2.062 8.534 1.00 0.00 C ATOM 365 CG LEU A 27 -10.127 -1.289 7.948 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.259 -1.176 6.437 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.027 0.092 8.580 1.00 0.00 C ATOM 0 H LEU A 27 -12.628 0.285 8.047 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.806 -2.503 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.386 -1.820 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.090 -3.128 8.465 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.212 -1.837 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.409 -0.623 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.281 -2.173 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.182 -0.651 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.180 0.628 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.944 0.648 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.885 -0.010 9.656 1.00 0.00 H new ATOM 379 N SER A 28 -13.655 -1.409 10.062 1.00 0.00 N ATOM 380 CA SER A 28 -14.651 -1.547 11.118 1.00 0.00 C ATOM 381 C SER A 28 -14.054 -1.194 12.477 1.00 0.00 C ATOM 382 O SER A 28 -12.856 -0.936 12.593 1.00 0.00 O ATOM 383 CB SER A 28 -15.203 -2.974 11.145 1.00 0.00 C ATOM 384 OG SER A 28 -15.513 -3.375 12.468 1.00 0.00 O ATOM 0 H SER A 28 -12.871 -0.801 10.298 1.00 0.00 H new ATOM 0 HA SER A 28 -15.466 -0.854 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.097 -3.033 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.471 -3.659 10.716 1.00 0.00 H new ATOM 0 HG SER A 28 -15.865 -4.289 12.459 1.00 0.00 H new ATOM 390 N ARG A 29 -14.899 -1.186 13.503 1.00 0.00 N ATOM 391 CA ARG A 29 -14.456 -0.864 14.855 1.00 0.00 C ATOM 392 C ARG A 29 -13.767 -2.062 15.501 1.00 0.00 C ATOM 393 O ARG A 29 -13.514 -2.070 16.706 1.00 0.00 O ATOM 394 CB ARG A 29 -15.643 -0.421 15.712 1.00 0.00 C ATOM 395 CG ARG A 29 -16.339 0.826 15.191 1.00 0.00 C ATOM 396 CD ARG A 29 -17.839 0.768 15.429 1.00 0.00 C ATOM 397 NE ARG A 29 -18.172 0.847 16.849 1.00 0.00 N ATOM 398 CZ ARG A 29 -19.331 0.443 17.357 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.264 -0.066 16.564 1.00 0.00 N ATOM 400 NH2 ARG A 29 -19.559 0.547 18.660 1.00 0.00 N ATOM 0 H ARG A 29 -15.893 -1.399 13.424 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.739 -0.046 14.790 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.366 -1.235 15.765 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.297 -0.236 16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.926 1.707 15.682 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.143 0.935 14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.322 1.588 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.236 -0.159 15.015 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.476 1.234 17.486 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -20.092 -0.148 15.562 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -21.153 -0.376 16.956 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.844 0.938 19.273 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -20.450 0.236 19.048 1.00 0.00 H new ATOM 414 N ARG A 30 -13.468 -3.073 14.692 1.00 0.00 N ATOM 415 CA ARG A 30 -12.811 -4.278 15.185 1.00 0.00 C ATOM 416 C ARG A 30 -11.468 -4.487 14.492 1.00 0.00 C ATOM 417 O ARG A 30 -10.457 -4.754 15.142 1.00 0.00 O ATOM 418 CB ARG A 30 -13.705 -5.499 14.966 1.00 0.00 C ATOM 419 CG ARG A 30 -14.820 -5.629 15.991 1.00 0.00 C ATOM 420 CD ARG A 30 -16.073 -4.889 15.549 1.00 0.00 C ATOM 421 NE ARG A 30 -17.059 -4.793 16.621 1.00 0.00 N ATOM 422 CZ ARG A 30 -18.361 -4.631 16.410 1.00 0.00 C ATOM 423 NH1 ARG A 30 -18.830 -4.547 15.173 1.00 0.00 N ATOM 424 NH2 ARG A 30 -19.196 -4.552 17.439 1.00 0.00 N ATOM 0 H ARG A 30 -13.670 -3.082 13.692 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.634 -4.153 16.253 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.144 -5.444 13.970 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.090 -6.399 14.994 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.054 -6.683 16.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.482 -5.235 16.949 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.803 -3.887 15.214 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.515 -5.402 14.695 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.731 -4.854 17.585 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.191 -4.607 14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.830 -4.423 15.014 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.838 -4.616 18.392 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.195 -4.428 17.277 1.00 0.00 H new ATOM 438 N ASP A 31 -11.465 -4.364 13.169 1.00 0.00 N ATOM 439 CA ASP A 31 -10.247 -4.539 12.387 1.00 0.00 C ATOM 440 C ASP A 31 -9.492 -3.220 12.255 1.00 0.00 C ATOM 441 O ASP A 31 -8.516 -3.122 11.510 1.00 0.00 O ATOM 442 CB ASP A 31 -10.581 -5.091 11.000 1.00 0.00 C ATOM 443 CG ASP A 31 -10.914 -6.569 11.031 1.00 0.00 C ATOM 444 OD1 ASP A 31 -11.045 -7.125 12.141 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.044 -7.171 9.944 1.00 0.00 O ATOM 0 H ASP A 31 -12.293 -4.144 12.616 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.609 -5.252 12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.425 -4.540 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.735 -4.926 10.333 1.00 0.00 H new ATOM 450 N LEU A 32 -9.951 -2.206 12.981 1.00 0.00 N ATOM 451 CA LEU A 32 -9.320 -0.891 12.944 1.00 0.00 C ATOM 452 C LEU A 32 -7.890 -0.959 13.471 1.00 0.00 C ATOM 453 O LEU A 32 -6.947 -0.479 12.842 1.00 0.00 O ATOM 454 CB LEU A 32 -10.132 0.109 13.768 1.00 0.00 C ATOM 455 CG LEU A 32 -10.107 1.558 13.279 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.337 1.619 11.777 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.149 2.387 14.015 1.00 0.00 C ATOM 0 H LEU A 32 -10.758 -2.269 13.602 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.290 -0.558 11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.168 -0.227 13.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.765 0.086 14.794 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.123 1.976 13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.316 2.658 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.553 1.060 11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.307 1.183 11.539 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.117 3.415 13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.140 1.970 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.938 2.371 15.084 1.00 0.00 H new ATOM 469 N PRO A 33 -7.723 -1.570 14.654 1.00 0.00 N ATOM 470 CA PRO A 33 -6.411 -1.718 15.290 1.00 0.00 C ATOM 471 C PRO A 33 -5.512 -2.699 14.545 1.00 0.00 C ATOM 472 O PRO A 33 -4.289 -2.653 14.671 1.00 0.00 O ATOM 473 CB PRO A 33 -6.751 -2.255 16.683 1.00 0.00 C ATOM 474 CG PRO A 33 -8.063 -2.940 16.515 1.00 0.00 C ATOM 475 CD PRO A 33 -8.802 -2.165 15.460 1.00 0.00 C ATOM 0 HA PRO A 33 -5.856 -0.780 15.303 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.986 -2.946 17.038 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.816 -1.448 17.413 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.925 -3.978 16.212 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.620 -2.952 17.452 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.441 -2.812 14.860 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.444 -1.401 15.899 1.00 0.00 H new ATOM 483 N ALA A 34 -6.127 -3.585 13.769 1.00 0.00 N ATOM 484 CA ALA A 34 -5.382 -4.575 13.002 1.00 0.00 C ATOM 485 C ALA A 34 -5.036 -4.048 11.613 1.00 0.00 C ATOM 486 O ALA A 34 -4.050 -4.466 11.007 1.00 0.00 O ATOM 487 CB ALA A 34 -6.177 -5.868 12.894 1.00 0.00 C ATOM 0 H ALA A 34 -7.139 -3.637 13.655 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.449 -4.778 13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.608 -6.598 12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.368 -6.262 13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.125 -5.671 12.394 1.00 0.00 H new ATOM 493 N HIS A 35 -5.855 -3.128 11.114 1.00 0.00 N ATOM 494 CA HIS A 35 -5.636 -2.543 9.796 1.00 0.00 C ATOM 495 C HIS A 35 -4.536 -1.487 9.846 1.00 0.00 C ATOM 496 O HIS A 35 -3.783 -1.314 8.887 1.00 0.00 O ATOM 497 CB HIS A 35 -6.930 -1.923 9.268 1.00 0.00 C ATOM 498 CG HIS A 35 -6.718 -0.970 8.132 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.676 -1.368 6.813 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.536 0.371 8.124 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.477 -0.314 6.043 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.388 0.755 6.814 1.00 0.00 N ATOM 0 H HIS A 35 -6.676 -2.771 11.602 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.321 -3.339 9.121 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.599 -2.720 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.431 -1.399 10.082 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.512 1.019 8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.400 -0.324 4.966 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.234 1.710 6.489 1.00 0.00 H new ATOM 510 N LEU A 36 -4.448 -0.784 10.970 1.00 0.00 N ATOM 511 CA LEU A 36 -3.440 0.256 11.145 1.00 0.00 C ATOM 512 C LEU A 36 -2.107 -0.346 11.578 1.00 0.00 C ATOM 513 O LEU A 36 -1.177 0.377 11.936 1.00 0.00 O ATOM 514 CB LEU A 36 -3.910 1.280 12.180 1.00 0.00 C ATOM 515 CG LEU A 36 -5.208 2.019 11.851 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.677 2.832 13.048 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.019 2.915 10.636 1.00 0.00 C ATOM 0 H LEU A 36 -5.062 -0.915 11.774 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.298 0.756 10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.038 0.770 13.135 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.120 2.018 12.316 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.975 1.281 11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.602 3.351 12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.853 2.167 13.893 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.912 3.562 13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.953 3.433 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.238 3.647 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.731 2.308 9.778 1.00 0.00 H new ATOM 529 N GLN A 37 -2.021 -1.671 11.539 1.00 0.00 N ATOM 530 CA GLN A 37 -0.801 -2.369 11.925 1.00 0.00 C ATOM 531 C GLN A 37 0.021 -2.749 10.698 1.00 0.00 C ATOM 532 O GLN A 37 1.221 -2.479 10.633 1.00 0.00 O ATOM 533 CB GLN A 37 -1.139 -3.622 12.735 1.00 0.00 C ATOM 534 CG GLN A 37 0.038 -4.568 12.913 1.00 0.00 C ATOM 535 CD GLN A 37 -0.205 -5.604 13.993 1.00 0.00 C ATOM 536 OE1 GLN A 37 -0.977 -5.377 14.925 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.456 -6.750 13.873 1.00 0.00 N ATOM 0 H GLN A 37 -2.782 -2.283 11.244 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.207 -1.695 12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.505 -3.322 13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.952 -4.155 12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.239 -5.073 11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.929 -3.991 13.162 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.086 -6.895 13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.334 -7.485 14.570 1.00 0.00 H new ATOM 546 N HIS A 38 -0.632 -3.378 9.726 1.00 0.00 N ATOM 547 CA HIS A 38 0.039 -3.795 8.499 1.00 0.00 C ATOM 548 C HIS A 38 -0.959 -3.926 7.352 1.00 0.00 C ATOM 549 O HIS A 38 -0.763 -4.723 6.435 1.00 0.00 O ATOM 550 CB HIS A 38 0.762 -5.124 8.716 1.00 0.00 C ATOM 551 CG HIS A 38 -0.148 -6.243 9.121 1.00 0.00 C ATOM 552 ND1 HIS A 38 -0.074 -7.507 8.576 1.00 0.00 N ATOM 553 CD2 HIS A 38 -1.155 -6.281 10.024 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.998 -8.275 9.126 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.667 -7.555 10.009 1.00 0.00 N ATOM 0 H HIS A 38 -1.625 -3.610 9.764 1.00 0.00 H new ATOM 0 HA HIS A 38 0.770 -3.031 8.235 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.278 -5.401 7.797 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.525 -4.992 9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.493 -5.462 10.641 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.176 -9.314 8.893 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.438 -7.891 10.586 1.00 0.00 H new ATOM 563 N ASP A 39 -2.028 -3.140 7.412 1.00 0.00 N ATOM 564 CA ASP A 39 -3.056 -3.168 6.378 1.00 0.00 C ATOM 565 C ASP A 39 -3.290 -1.773 5.807 1.00 0.00 C ATOM 566 O ASP A 39 -3.735 -1.623 4.668 1.00 0.00 O ATOM 567 CB ASP A 39 -4.362 -3.727 6.942 1.00 0.00 C ATOM 568 CG ASP A 39 -5.084 -4.622 5.954 1.00 0.00 C ATOM 569 OD1 ASP A 39 -4.423 -5.137 5.029 1.00 0.00 O ATOM 570 OD2 ASP A 39 -6.311 -4.805 6.105 1.00 0.00 O ATOM 0 H ASP A 39 -2.205 -2.476 8.165 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.710 -3.817 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.150 -4.291 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.015 -2.901 7.224 1.00 0.00 H new ATOM 575 N CYS A 40 -2.989 -0.754 6.605 1.00 0.00 N ATOM 576 CA CYS A 40 -3.167 0.629 6.180 1.00 0.00 C ATOM 577 C CYS A 40 -2.129 1.015 5.131 1.00 0.00 C ATOM 578 O CYS A 40 -0.922 0.894 5.341 1.00 0.00 O ATOM 579 CB CYS A 40 -3.067 1.570 7.383 1.00 0.00 C ATOM 580 SG CYS A 40 -3.731 3.239 7.078 1.00 0.00 S ATOM 0 H CYS A 40 -2.620 -0.860 7.550 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.158 0.721 5.735 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.601 1.126 8.223 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.021 1.655 7.679 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.914 3.339 7.607 1.00 0.00 H new ATOM 585 N PRO A 41 -2.608 1.491 3.972 1.00 0.00 N ATOM 586 CA PRO A 41 -1.739 1.905 2.866 1.00 0.00 C ATOM 587 C PRO A 41 -0.966 3.180 3.183 1.00 0.00 C ATOM 588 O PRO A 41 0.237 3.267 2.935 1.00 0.00 O ATOM 589 CB PRO A 41 -2.719 2.146 1.716 1.00 0.00 C ATOM 590 CG PRO A 41 -4.013 2.466 2.381 1.00 0.00 C ATOM 591 CD PRO A 41 -4.035 1.662 3.652 1.00 0.00 C ATOM 0 HA PRO A 41 -0.977 1.158 2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.388 2.966 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.808 1.265 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.090 3.533 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.856 2.206 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.566 2.184 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.533 0.703 3.512 1.00 0.00 H new ATOM 599 N LYS A 42 -1.663 4.169 3.733 1.00 0.00 N ATOM 600 CA LYS A 42 -1.042 5.440 4.086 1.00 0.00 C ATOM 601 C LYS A 42 -0.383 5.360 5.460 1.00 0.00 C ATOM 602 O LYS A 42 -0.112 6.384 6.088 1.00 0.00 O ATOM 603 CB LYS A 42 -2.084 6.561 4.073 1.00 0.00 C ATOM 604 CG LYS A 42 -2.935 6.585 2.815 1.00 0.00 C ATOM 605 CD LYS A 42 -2.324 7.476 1.746 1.00 0.00 C ATOM 606 CE LYS A 42 -2.796 7.080 0.355 1.00 0.00 C ATOM 607 NZ LYS A 42 -4.003 7.846 -0.061 1.00 0.00 N ATOM 0 H LYS A 42 -2.659 4.114 3.944 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.273 5.659 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.735 6.451 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.576 7.520 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.042 5.572 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.936 6.941 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.591 8.515 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.237 7.412 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.993 7.250 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.019 6.013 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.293 7.547 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.777 7.665 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.783 8.862 -0.069 1.00 0.00 H new ATOM 621 N ARG A 43 -0.127 4.140 5.918 1.00 0.00 N ATOM 622 CA ARG A 43 0.501 3.928 7.217 1.00 0.00 C ATOM 623 C ARG A 43 1.744 4.799 7.369 1.00 0.00 C ATOM 624 O ARG A 43 2.196 5.064 8.483 1.00 0.00 O ATOM 625 CB ARG A 43 0.873 2.454 7.393 1.00 0.00 C ATOM 626 CG ARG A 43 1.604 1.864 6.198 1.00 0.00 C ATOM 627 CD ARG A 43 1.560 0.344 6.213 1.00 0.00 C ATOM 628 NE ARG A 43 2.682 -0.228 6.952 1.00 0.00 N ATOM 629 CZ ARG A 43 2.685 -0.397 8.270 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.630 -0.040 8.990 1.00 0.00 N ATOM 631 NH2 ARG A 43 3.744 -0.925 8.870 1.00 0.00 N ATOM 0 H ARG A 43 -0.344 3.283 5.410 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.215 4.210 7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.499 2.349 8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.035 1.878 7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.154 2.233 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.641 2.199 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.624 0.013 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.572 -0.029 5.189 1.00 0.00 H new ATOM 0 HE ARG A 43 3.509 -0.514 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.814 0.365 8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.635 -0.171 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.557 -1.202 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.745 -1.054 9.882 1.00 0.00 H new ATOM 645 N ARG A 44 2.291 5.241 6.241 1.00 0.00 N ATOM 646 CA ARG A 44 3.483 6.081 6.249 1.00 0.00 C ATOM 647 C ARG A 44 4.733 5.249 6.518 1.00 0.00 C ATOM 648 O ARG A 44 5.493 5.532 7.446 1.00 0.00 O ATOM 649 CB ARG A 44 3.352 7.180 7.305 1.00 0.00 C ATOM 650 CG ARG A 44 1.972 7.817 7.353 1.00 0.00 C ATOM 651 CD ARG A 44 1.562 8.362 5.994 1.00 0.00 C ATOM 652 NE ARG A 44 2.464 9.415 5.532 1.00 0.00 N ATOM 653 CZ ARG A 44 2.327 10.041 4.369 1.00 0.00 C ATOM 654 NH1 ARG A 44 1.330 9.724 3.554 1.00 0.00 N ATOM 655 NH2 ARG A 44 3.187 10.989 4.019 1.00 0.00 N ATOM 0 H ARG A 44 1.928 5.032 5.311 1.00 0.00 H new ATOM 0 HA ARG A 44 3.579 6.541 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.584 6.761 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.093 7.954 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.241 7.080 7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.968 8.624 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.549 7.550 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.547 8.754 6.052 1.00 0.00 H new ATOM 0 HE ARG A 44 3.241 9.684 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.665 8.997 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.228 10.207 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.954 11.237 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.081 11.469 3.125 1.00 0.00 H new ATOM 669 N LEU A 45 4.941 4.222 5.702 1.00 0.00 N ATOM 670 CA LEU A 45 6.099 3.347 5.852 1.00 0.00 C ATOM 671 C LEU A 45 6.925 3.313 4.570 1.00 0.00 C ATOM 672 O LEU A 45 6.540 2.680 3.587 1.00 0.00 O ATOM 673 CB LEU A 45 5.650 1.932 6.220 1.00 0.00 C ATOM 674 CG LEU A 45 5.420 1.667 7.709 1.00 0.00 C ATOM 675 CD1 LEU A 45 6.695 1.159 8.363 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.927 2.928 8.405 1.00 0.00 C ATOM 0 H LEU A 45 4.323 3.974 4.929 1.00 0.00 H new ATOM 0 HA LEU A 45 6.722 3.744 6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.725 1.715 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.400 1.229 5.858 1.00 0.00 H new ATOM 0 HG LEU A 45 4.654 0.898 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.513 0.976 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.006 0.231 7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.482 1.905 8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.769 2.721 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.671 3.718 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.988 3.249 7.954 1.00 0.00 H new ATOM 688 N LYS A 46 8.064 3.997 4.588 1.00 0.00 N ATOM 689 CA LYS A 46 8.947 4.043 3.429 1.00 0.00 C ATOM 690 C LYS A 46 10.371 3.652 3.814 1.00 0.00 C ATOM 691 O LYS A 46 10.882 4.073 4.852 1.00 0.00 O ATOM 692 CB LYS A 46 8.941 5.444 2.812 1.00 0.00 C ATOM 693 CG LYS A 46 9.261 5.456 1.327 1.00 0.00 C ATOM 694 CD LYS A 46 9.520 6.866 0.824 1.00 0.00 C ATOM 695 CE LYS A 46 9.932 6.869 -0.640 1.00 0.00 C ATOM 696 NZ LYS A 46 9.905 8.239 -1.221 1.00 0.00 N ATOM 0 H LYS A 46 8.397 4.527 5.393 1.00 0.00 H new ATOM 0 HA LYS A 46 8.578 3.327 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.962 5.896 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.666 6.066 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.136 4.835 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.432 5.017 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.621 7.470 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.303 7.329 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.935 6.454 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.263 6.221 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.192 8.198 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.942 8.626 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.562 8.851 -0.697 1.00 0.00 H new ATOM 710 N CYS A 47 11.007 2.846 2.971 1.00 0.00 N ATOM 711 CA CYS A 47 12.371 2.398 3.222 1.00 0.00 C ATOM 712 C CYS A 47 13.342 3.575 3.197 1.00 0.00 C ATOM 713 O CYS A 47 13.053 4.619 2.613 1.00 0.00 O ATOM 714 CB CYS A 47 12.788 1.357 2.181 1.00 0.00 C ATOM 715 SG CYS A 47 14.230 0.356 2.668 1.00 0.00 S ATOM 0 H CYS A 47 10.599 2.489 2.107 1.00 0.00 H new ATOM 0 HA CYS A 47 12.402 1.944 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.946 0.692 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.012 1.866 1.243 1.00 0.00 H new ATOM 0 HG CYS A 47 13.896 -0.443 3.638 1.00 0.00 H new ATOM 720 N GLU A 48 14.495 3.398 3.836 1.00 0.00 N ATOM 721 CA GLU A 48 15.508 4.445 3.888 1.00 0.00 C ATOM 722 C GLU A 48 16.589 4.209 2.837 1.00 0.00 C ATOM 723 O GLU A 48 17.213 5.152 2.350 1.00 0.00 O ATOM 724 CB GLU A 48 16.140 4.505 5.280 1.00 0.00 C ATOM 725 CG GLU A 48 17.604 4.911 5.267 1.00 0.00 C ATOM 726 CD GLU A 48 18.026 5.615 6.542 1.00 0.00 C ATOM 727 OE1 GLU A 48 17.283 6.505 7.003 1.00 0.00 O ATOM 728 OE2 GLU A 48 19.101 5.274 7.079 1.00 0.00 O ATOM 0 H GLU A 48 14.750 2.540 4.324 1.00 0.00 H new ATOM 0 HA GLU A 48 15.021 5.397 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.581 5.212 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.047 3.528 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.222 4.024 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.788 5.567 4.416 1.00 0.00 H new ATOM 735 N PHE A 49 16.804 2.944 2.492 1.00 0.00 N ATOM 736 CA PHE A 49 17.810 2.583 1.500 1.00 0.00 C ATOM 737 C PHE A 49 17.244 2.690 0.087 1.00 0.00 C ATOM 738 O PHE A 49 17.608 3.586 -0.674 1.00 0.00 O ATOM 739 CB PHE A 49 18.318 1.162 1.752 1.00 0.00 C ATOM 740 CG PHE A 49 18.282 0.760 3.198 1.00 0.00 C ATOM 741 CD1 PHE A 49 18.696 1.639 4.186 1.00 0.00 C ATOM 742 CD2 PHE A 49 17.833 -0.497 3.570 1.00 0.00 C ATOM 743 CE1 PHE A 49 18.664 1.271 5.518 1.00 0.00 C ATOM 744 CE2 PHE A 49 17.798 -0.871 4.901 1.00 0.00 C ATOM 745 CZ PHE A 49 18.213 0.015 5.876 1.00 0.00 C ATOM 0 H PHE A 49 16.295 2.152 2.885 1.00 0.00 H new ATOM 0 HA PHE A 49 18.642 3.281 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.716 0.462 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.341 1.080 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.048 2.623 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 49 17.506 -1.193 2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.991 1.965 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.447 -1.854 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 49 18.185 -0.273 6.916 1.00 0.00 H new ATOM 755 N CYS A 50 16.350 1.769 -0.257 1.00 0.00 N ATOM 756 CA CYS A 50 15.733 1.757 -1.577 1.00 0.00 C ATOM 757 C CYS A 50 14.708 2.880 -1.709 1.00 0.00 C ATOM 758 O CYS A 50 14.469 3.391 -2.802 1.00 0.00 O ATOM 759 CB CYS A 50 15.061 0.407 -1.837 1.00 0.00 C ATOM 760 SG CYS A 50 13.517 0.152 -0.905 1.00 0.00 S ATOM 0 H CYS A 50 16.037 1.021 0.361 1.00 0.00 H new ATOM 0 HA CYS A 50 16.517 1.915 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.848 0.319 -2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.761 -0.390 -1.584 1.00 0.00 H new ATOM 0 HG CYS A 50 13.784 0.074 0.365 1.00 0.00 H new ATOM 765 N GLY A 51 14.106 3.260 -0.586 1.00 0.00 N ATOM 766 CA GLY A 51 13.115 4.320 -0.597 1.00 0.00 C ATOM 767 C GLY A 51 11.845 3.918 -1.319 1.00 0.00 C ATOM 768 O GLY A 51 11.451 4.554 -2.297 1.00 0.00 O ATOM 0 H GLY A 51 14.287 2.852 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.874 4.598 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.538 5.203 -1.076 1.00 0.00 H new ATOM 772 N CYS A 52 11.202 2.859 -0.837 1.00 0.00 N ATOM 773 CA CYS A 52 9.969 2.371 -1.445 1.00 0.00 C ATOM 774 C CYS A 52 8.922 2.065 -0.379 1.00 0.00 C ATOM 775 O CYS A 52 9.206 1.383 0.606 1.00 0.00 O ATOM 776 CB CYS A 52 10.248 1.120 -2.279 1.00 0.00 C ATOM 777 SG CYS A 52 11.501 1.351 -3.561 1.00 0.00 S ATOM 0 H CYS A 52 11.514 2.323 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 52 9.579 3.153 -2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.568 0.317 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.319 0.795 -2.748 1.00 0.00 H new ATOM 0 HG CYS A 52 12.664 0.996 -3.101 1.00 0.00 H new ATOM 783 N ASP A 53 7.713 2.574 -0.582 1.00 0.00 N ATOM 784 CA ASP A 53 6.622 2.356 0.361 1.00 0.00 C ATOM 785 C ASP A 53 6.420 0.867 0.623 1.00 0.00 C ATOM 786 O ASP A 53 6.540 0.044 -0.286 1.00 0.00 O ATOM 787 CB ASP A 53 5.328 2.973 -0.170 1.00 0.00 C ATOM 788 CG ASP A 53 5.072 2.621 -1.622 1.00 0.00 C ATOM 789 OD1 ASP A 53 5.782 1.742 -2.154 1.00 0.00 O ATOM 790 OD2 ASP A 53 4.160 3.224 -2.227 1.00 0.00 O ATOM 0 H ASP A 53 7.463 3.141 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 53 6.886 2.840 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.490 2.631 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.376 4.057 -0.065 1.00 0.00 H new ATOM 795 N PHE A 54 6.115 0.526 1.870 1.00 0.00 N ATOM 796 CA PHE A 54 5.898 -0.864 2.252 1.00 0.00 C ATOM 797 C PHE A 54 4.881 -0.965 3.385 1.00 0.00 C ATOM 798 O PHE A 54 4.540 0.034 4.018 1.00 0.00 O ATOM 799 CB PHE A 54 7.218 -1.510 2.679 1.00 0.00 C ATOM 800 CG PHE A 54 8.104 -1.882 1.524 1.00 0.00 C ATOM 801 CD1 PHE A 54 7.754 -2.917 0.671 1.00 0.00 C ATOM 802 CD2 PHE A 54 9.286 -1.197 1.291 1.00 0.00 C ATOM 803 CE1 PHE A 54 8.568 -3.262 -0.392 1.00 0.00 C ATOM 804 CE2 PHE A 54 10.103 -1.538 0.230 1.00 0.00 C ATOM 805 CZ PHE A 54 9.743 -2.571 -0.614 1.00 0.00 C ATOM 0 H PHE A 54 6.012 1.194 2.634 1.00 0.00 H new ATOM 0 HA PHE A 54 5.504 -1.395 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.755 -0.822 3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.003 -2.404 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.835 -3.460 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.572 -0.387 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.285 -4.072 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.022 -0.997 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.379 -2.837 -1.445 1.00 0.00 H new ATOM 815 N SER A 55 4.399 -2.179 3.633 1.00 0.00 N ATOM 816 CA SER A 55 3.417 -2.411 4.686 1.00 0.00 C ATOM 817 C SER A 55 4.094 -2.909 5.960 1.00 0.00 C ATOM 818 O SER A 55 5.320 -2.955 6.047 1.00 0.00 O ATOM 819 CB SER A 55 2.370 -3.425 4.222 1.00 0.00 C ATOM 820 OG SER A 55 2.178 -3.353 2.819 1.00 0.00 O ATOM 0 H SER A 55 4.672 -3.017 3.119 1.00 0.00 H new ATOM 0 HA SER A 55 2.924 -1.464 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.686 -4.431 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.425 -3.236 4.732 1.00 0.00 H new ATOM 0 HG SER A 55 1.506 -4.012 2.547 1.00 0.00 H new ATOM 826 N GLY A 56 3.284 -3.282 6.946 1.00 0.00 N ATOM 827 CA GLY A 56 3.821 -3.772 8.202 1.00 0.00 C ATOM 828 C GLY A 56 4.444 -5.147 8.069 1.00 0.00 C ATOM 829 O GLY A 56 5.441 -5.449 8.724 1.00 0.00 O ATOM 0 H GLY A 56 2.266 -3.254 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.570 -3.071 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.024 -3.808 8.945 1.00 0.00 H new ATOM 833 N GLU A 57 3.854 -5.983 7.220 1.00 0.00 N ATOM 834 CA GLU A 57 4.357 -7.335 7.007 1.00 0.00 C ATOM 835 C GLU A 57 5.619 -7.316 6.149 1.00 0.00 C ATOM 836 O GLU A 57 6.453 -8.218 6.232 1.00 0.00 O ATOM 837 CB GLU A 57 3.287 -8.202 6.340 1.00 0.00 C ATOM 838 CG GLU A 57 3.718 -9.643 6.126 1.00 0.00 C ATOM 839 CD GLU A 57 2.596 -10.515 5.597 1.00 0.00 C ATOM 840 OE1 GLU A 57 1.660 -10.810 6.369 1.00 0.00 O ATOM 841 OE2 GLU A 57 2.653 -10.902 4.411 1.00 0.00 O ATOM 0 H GLU A 57 3.028 -5.748 6.669 1.00 0.00 H new ATOM 0 HA GLU A 57 4.605 -7.761 7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.386 -8.188 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.024 -7.763 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.553 -9.668 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.079 -10.054 7.069 1.00 0.00 H new ATOM 848 N ALA A 58 5.752 -6.282 5.324 1.00 0.00 N ATOM 849 CA ALA A 58 6.911 -6.145 4.452 1.00 0.00 C ATOM 850 C ALA A 58 7.948 -5.206 5.061 1.00 0.00 C ATOM 851 O ALA A 58 9.085 -5.604 5.316 1.00 0.00 O ATOM 852 CB ALA A 58 6.484 -5.643 3.081 1.00 0.00 C ATOM 0 H ALA A 58 5.071 -5.527 5.242 1.00 0.00 H new ATOM 0 HA ALA A 58 7.369 -7.128 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.360 -5.545 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.786 -6.351 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.000 -4.672 3.184 1.00 0.00 H new ATOM 858 N TYR A 59 7.548 -3.961 5.291 1.00 0.00 N ATOM 859 CA TYR A 59 8.444 -2.965 5.868 1.00 0.00 C ATOM 860 C TYR A 59 9.216 -3.545 7.049 1.00 0.00 C ATOM 861 O TYR A 59 10.348 -3.147 7.320 1.00 0.00 O ATOM 862 CB TYR A 59 7.653 -1.735 6.315 1.00 0.00 C ATOM 863 CG TYR A 59 8.524 -0.598 6.799 1.00 0.00 C ATOM 864 CD1 TYR A 59 8.940 -0.531 8.124 1.00 0.00 C ATOM 865 CD2 TYR A 59 8.931 0.409 5.933 1.00 0.00 C ATOM 866 CE1 TYR A 59 9.735 0.507 8.571 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.727 1.450 6.371 1.00 0.00 C ATOM 868 CZ TYR A 59 10.127 1.494 7.691 1.00 0.00 C ATOM 869 OH TYR A 59 10.919 2.529 8.131 1.00 0.00 O ATOM 0 H TYR A 59 6.610 -3.617 5.087 1.00 0.00 H new ATOM 0 HA TYR A 59 9.159 -2.669 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.042 -1.385 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.970 -2.023 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.637 -1.303 8.815 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.620 0.378 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.048 0.545 9.604 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.034 2.225 5.684 1.00 0.00 H new ATOM 0 HH TYR A 59 11.106 3.138 7.386 1.00 0.00 H new ATOM 879 N GLU A 60 8.593 -4.489 7.748 1.00 0.00 N ATOM 880 CA GLU A 60 9.221 -5.125 8.900 1.00 0.00 C ATOM 881 C GLU A 60 10.333 -6.073 8.461 1.00 0.00 C ATOM 882 O GLU A 60 11.493 -5.900 8.833 1.00 0.00 O ATOM 883 CB GLU A 60 8.178 -5.889 9.720 1.00 0.00 C ATOM 884 CG GLU A 60 7.433 -5.020 10.719 1.00 0.00 C ATOM 885 CD GLU A 60 8.180 -4.866 12.029 1.00 0.00 C ATOM 886 OE1 GLU A 60 9.366 -5.254 12.086 1.00 0.00 O ATOM 887 OE2 GLU A 60 7.579 -4.355 12.998 1.00 0.00 O ATOM 0 H GLU A 60 7.655 -4.830 7.537 1.00 0.00 H new ATOM 0 HA GLU A 60 9.659 -4.343 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.458 -6.346 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.672 -6.701 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.264 -4.035 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.453 -5.455 10.913 1.00 0.00 H new ATOM 894 N SER A 61 9.969 -7.075 7.667 1.00 0.00 N ATOM 895 CA SER A 61 10.934 -8.054 7.180 1.00 0.00 C ATOM 896 C SER A 61 11.791 -7.462 6.065 1.00 0.00 C ATOM 897 O SER A 61 12.729 -8.099 5.583 1.00 0.00 O ATOM 898 CB SER A 61 10.213 -9.305 6.675 1.00 0.00 C ATOM 899 OG SER A 61 9.363 -9.842 7.674 1.00 0.00 O ATOM 0 H SER A 61 9.013 -7.230 7.347 1.00 0.00 H new ATOM 0 HA SER A 61 11.586 -8.329 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.628 -9.059 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.945 -10.054 6.375 1.00 0.00 H new ATOM 0 HG SER A 61 8.912 -10.640 7.326 1.00 0.00 H new ATOM 905 N HIS A 62 11.462 -6.240 5.659 1.00 0.00 N ATOM 906 CA HIS A 62 12.202 -5.561 4.601 1.00 0.00 C ATOM 907 C HIS A 62 13.340 -4.727 5.183 1.00 0.00 C ATOM 908 O HIS A 62 14.223 -4.273 4.456 1.00 0.00 O ATOM 909 CB HIS A 62 11.265 -4.669 3.786 1.00 0.00 C ATOM 910 CG HIS A 62 11.934 -3.999 2.626 1.00 0.00 C ATOM 911 ND1 HIS A 62 11.906 -4.509 1.345 1.00 0.00 N ATOM 912 CD2 HIS A 62 12.651 -2.853 2.558 1.00 0.00 C ATOM 913 CE1 HIS A 62 12.578 -3.706 0.539 1.00 0.00 C ATOM 914 NE2 HIS A 62 13.040 -2.693 1.250 1.00 0.00 N ATOM 0 H HIS A 62 10.688 -5.700 6.046 1.00 0.00 H new ATOM 0 HA HIS A 62 12.630 -6.320 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.434 -5.270 3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.842 -3.907 4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.876 -2.188 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.725 -3.853 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.595 -1.918 0.887 1.00 0.00 H new ATOM 922 N GLU A 63 13.310 -4.528 6.497 1.00 0.00 N ATOM 923 CA GLU A 63 14.338 -3.747 7.174 1.00 0.00 C ATOM 924 C GLU A 63 15.687 -4.458 7.118 1.00 0.00 C ATOM 925 O GLU A 63 16.738 -3.827 7.213 1.00 0.00 O ATOM 926 CB GLU A 63 13.942 -3.495 8.631 1.00 0.00 C ATOM 927 CG GLU A 63 14.426 -4.572 9.588 1.00 0.00 C ATOM 928 CD GLU A 63 13.830 -4.430 10.975 1.00 0.00 C ATOM 929 OE1 GLU A 63 13.914 -3.323 11.547 1.00 0.00 O ATOM 930 OE2 GLU A 63 13.280 -5.427 11.488 1.00 0.00 O ATOM 0 H GLU A 63 12.586 -4.897 7.113 1.00 0.00 H new ATOM 0 HA GLU A 63 14.429 -2.791 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.344 -2.533 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.856 -3.424 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.171 -5.552 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.513 -4.529 9.657 1.00 0.00 H new ATOM 937 N GLY A 64 15.647 -5.778 6.964 1.00 0.00 N ATOM 938 CA GLY A 64 16.872 -6.554 6.898 1.00 0.00 C ATOM 939 C GLY A 64 17.172 -7.046 5.496 1.00 0.00 C ATOM 940 O GLY A 64 18.324 -7.325 5.163 1.00 0.00 O ATOM 0 H GLY A 64 14.789 -6.324 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.704 -5.945 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.794 -7.408 7.571 1.00 0.00 H new ATOM 944 N MET A 65 16.134 -7.155 4.674 1.00 0.00 N ATOM 945 CA MET A 65 16.293 -7.617 3.300 1.00 0.00 C ATOM 946 C MET A 65 15.817 -6.558 2.311 1.00 0.00 C ATOM 947 O MET A 65 14.665 -6.573 1.876 1.00 0.00 O ATOM 948 CB MET A 65 15.517 -8.918 3.084 1.00 0.00 C ATOM 949 CG MET A 65 16.308 -10.165 3.448 1.00 0.00 C ATOM 950 SD MET A 65 15.851 -11.593 2.448 1.00 0.00 S ATOM 951 CE MET A 65 17.049 -11.474 1.121 1.00 0.00 C ATOM 0 H MET A 65 15.174 -6.930 4.935 1.00 0.00 H new ATOM 0 HA MET A 65 17.353 -7.801 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 65 14.604 -8.890 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 65 15.214 -8.982 2.039 1.00 0.00 H new ATOM 0 HG2 MET A 65 17.372 -9.965 3.324 1.00 0.00 H new ATOM 0 HG3 MET A 65 16.148 -10.397 4.501 1.00 0.00 H new ATOM 0 HE1 MET A 65 16.895 -12.292 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 65 16.926 -10.522 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.056 -11.535 1.533 1.00 0.00 H new ATOM 961 N CYS A 66 16.710 -5.639 1.960 1.00 0.00 N ATOM 962 CA CYS A 66 16.382 -4.571 1.023 1.00 0.00 C ATOM 963 C CYS A 66 17.084 -4.786 -0.314 1.00 0.00 C ATOM 964 O CYS A 66 18.261 -5.142 -0.376 1.00 0.00 O ATOM 965 CB CYS A 66 16.777 -3.213 1.606 1.00 0.00 C ATOM 966 SG CYS A 66 16.527 -1.813 0.467 1.00 0.00 S ATOM 0 H CYS A 66 17.667 -5.612 2.311 1.00 0.00 H new ATOM 0 HA CYS A 66 15.305 -4.587 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.199 -3.037 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 66 17.827 -3.247 1.898 1.00 0.00 H new ATOM 0 HG CYS A 66 15.752 -0.932 1.026 1.00 0.00 H new ATOM 971 N PRO A 67 16.345 -4.566 -1.412 1.00 0.00 N ATOM 972 CA PRO A 67 16.876 -4.729 -2.769 1.00 0.00 C ATOM 973 C PRO A 67 17.900 -3.656 -3.124 1.00 0.00 C ATOM 974 O PRO A 67 18.820 -3.898 -3.904 1.00 0.00 O ATOM 975 CB PRO A 67 15.634 -4.596 -3.654 1.00 0.00 C ATOM 976 CG PRO A 67 14.682 -3.778 -2.850 1.00 0.00 C ATOM 977 CD PRO A 67 14.935 -4.141 -1.413 1.00 0.00 C ATOM 0 HA PRO A 67 17.403 -5.676 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.872 -4.110 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.212 -5.572 -3.894 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.844 -2.713 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.651 -3.991 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.771 -3.292 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.274 -4.940 -1.078 1.00 0.00 H new ATOM 985 N GLN A 68 17.733 -2.471 -2.545 1.00 0.00 N ATOM 986 CA GLN A 68 18.644 -1.362 -2.801 1.00 0.00 C ATOM 987 C GLN A 68 19.227 -0.824 -1.499 1.00 0.00 C ATOM 988 O GLN A 68 18.804 0.221 -1.004 1.00 0.00 O ATOM 989 CB GLN A 68 17.919 -0.242 -3.550 1.00 0.00 C ATOM 990 CG GLN A 68 17.994 -0.374 -5.063 1.00 0.00 C ATOM 991 CD GLN A 68 17.774 0.946 -5.776 1.00 0.00 C ATOM 992 OE1 GLN A 68 18.660 1.801 -5.810 1.00 0.00 O ATOM 993 NE2 GLN A 68 16.590 1.119 -6.350 1.00 0.00 N ATOM 0 H GLN A 68 16.976 -2.255 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 68 19.463 -1.732 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.872 -0.231 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 68 18.346 0.717 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.969 -0.775 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 68 17.247 -1.093 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.885 0.384 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.385 1.987 -6.844 1.00 0.00 H new ATOM 1002 N GLU A 69 20.199 -1.545 -0.949 1.00 0.00 N ATOM 1003 CA GLU A 69 20.838 -1.140 0.298 1.00 0.00 C ATOM 1004 C GLU A 69 21.918 -0.093 0.040 1.00 0.00 C ATOM 1005 O GLU A 69 22.131 0.807 0.852 1.00 0.00 O ATOM 1006 CB GLU A 69 21.447 -2.354 1.003 1.00 0.00 C ATOM 1007 CG GLU A 69 22.499 -1.992 2.037 1.00 0.00 C ATOM 1008 CD GLU A 69 23.114 -3.212 2.695 1.00 0.00 C ATOM 1009 OE1 GLU A 69 22.998 -4.316 2.124 1.00 0.00 O ATOM 1010 OE2 GLU A 69 23.710 -3.062 3.782 1.00 0.00 O ATOM 0 H GLU A 69 20.561 -2.412 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 69 20.076 -0.700 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.651 -2.919 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.894 -3.011 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 69 23.285 -1.406 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.049 -1.359 2.802 1.00 0.00 H new