USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 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= 0.437 USER MOD Set 1.2: A 50 CYS SG : rot -59:sc= -0.784 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -4.84! C(o=-11!,f=-11!) USER MOD Set 1.4: A 66 CYS SG : rot 117:sc= -5.81! USER MOD Set 2.1: A 19 CYS SG : rot -170:sc= -6.02! USER MOD Set 2.2: A 21 ASN : amide:sc= -6.26! C(o=-23!,f=-23!) USER MOD Set 2.3: A 23 CYS SG : rot 6:sc= -0.792 USER MOD Set 2.4: A 35 HIS : no HD1:sc= -8.98! C(o=-23!,f=-22!) USER MOD Set 2.5: A 40 CYS SG : rot 62:sc= -1.12 USER MOD Single : A 25 MET CE :methyl 176:sc= -2.96 (180deg=-3.27) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.776! USER MOD Single : A 37 GLN : amide:sc= -0.167 K(o=-0.17,f=-3.1!) USER MOD Single : A 38 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-0.039) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.368 (180deg=-2!) 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 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 202 N ILE A 17 -16.607 2.084 9.612 1.00 0.00 N ATOM 203 CA ILE A 17 -16.062 3.418 9.830 1.00 0.00 C ATOM 204 C ILE A 17 -14.794 3.635 9.011 1.00 0.00 C ATOM 205 O ILE A 17 -14.050 2.701 8.714 1.00 0.00 O ATOM 206 CB ILE A 17 -15.746 3.661 11.318 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.631 2.723 11.785 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.997 3.468 12.163 1.00 0.00 C ATOM 209 CD1 ILE A 17 -15.056 1.274 11.869 1.00 0.00 C ATOM 0 HA ILE A 17 -16.825 4.127 9.508 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.404 4.689 11.439 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.787 2.806 11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.281 3.048 12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.758 3.643 13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.764 4.173 11.843 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.366 2.450 12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.216 0.667 12.206 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.880 1.177 12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.379 0.932 10.886 1.00 0.00 H new ATOM 221 N PRO A 18 -14.539 4.899 8.639 1.00 0.00 N ATOM 222 CA PRO A 18 -13.360 5.269 7.851 1.00 0.00 C ATOM 223 C PRO A 18 -12.066 5.140 8.648 1.00 0.00 C ATOM 224 O PRO A 18 -12.069 5.235 9.876 1.00 0.00 O ATOM 225 CB PRO A 18 -13.620 6.733 7.489 1.00 0.00 C ATOM 226 CG PRO A 18 -14.526 7.233 8.561 1.00 0.00 C ATOM 227 CD PRO A 18 -15.383 6.062 8.958 1.00 0.00 C ATOM 0 HA PRO A 18 -13.228 4.619 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.692 7.304 7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.083 6.822 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.956 7.605 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.138 8.060 8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.641 6.093 10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.320 6.043 8.402 1.00 0.00 H new ATOM 235 N CYS A 19 -10.961 4.922 7.943 1.00 0.00 N ATOM 236 CA CYS A 19 -9.660 4.780 8.584 1.00 0.00 C ATOM 237 C CYS A 19 -9.168 6.121 9.121 1.00 0.00 C ATOM 238 O CYS A 19 -9.248 7.152 8.453 1.00 0.00 O ATOM 239 CB CYS A 19 -8.641 4.209 7.596 1.00 0.00 C ATOM 240 SG CYS A 19 -6.995 3.905 8.317 1.00 0.00 S ATOM 0 H CYS A 19 -10.941 4.840 6.927 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.769 4.091 9.422 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.027 3.273 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.537 4.899 6.758 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.150 3.631 7.368 1.00 0.00 H new ATOM 245 N PRO A 20 -8.647 6.108 10.357 1.00 0.00 N ATOM 246 CA PRO A 20 -8.131 7.314 11.011 1.00 0.00 C ATOM 247 C PRO A 20 -6.844 7.818 10.367 1.00 0.00 C ATOM 248 O PRO A 20 -6.467 8.976 10.535 1.00 0.00 O ATOM 249 CB PRO A 20 -7.867 6.854 12.447 1.00 0.00 C ATOM 250 CG PRO A 20 -7.644 5.385 12.338 1.00 0.00 C ATOM 251 CD PRO A 20 -8.520 4.915 11.211 1.00 0.00 C ATOM 0 HA PRO A 20 -8.830 8.148 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.997 7.356 12.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.713 7.079 13.097 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.596 5.163 12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.903 4.881 13.269 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.069 4.081 10.672 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.490 4.574 11.572 1.00 0.00 H new ATOM 259 N ASN A 21 -6.174 6.939 9.629 1.00 0.00 N ATOM 260 CA ASN A 21 -4.928 7.294 8.960 1.00 0.00 C ATOM 261 C ASN A 21 -5.186 8.262 7.809 1.00 0.00 C ATOM 262 O ASN A 21 -4.253 8.835 7.245 1.00 0.00 O ATOM 263 CB ASN A 21 -4.229 6.038 8.437 1.00 0.00 C ATOM 264 CG ASN A 21 -3.736 5.142 9.557 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.239 5.199 10.679 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.745 4.310 9.257 1.00 0.00 N ATOM 0 H ASN A 21 -6.473 5.975 9.479 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.281 7.785 9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.918 5.479 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.386 6.329 7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.371 3.684 9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.358 4.297 8.313 1.00 0.00 H new ATOM 273 N ARG A 22 -6.457 8.441 7.467 1.00 0.00 N ATOM 274 CA ARG A 22 -6.838 9.339 6.383 1.00 0.00 C ATOM 275 C ARG A 22 -6.738 8.635 5.033 1.00 0.00 C ATOM 276 O ARG A 22 -6.618 9.281 3.992 1.00 0.00 O ATOM 277 CB ARG A 22 -5.950 10.584 6.389 1.00 0.00 C ATOM 278 CG ARG A 22 -4.824 10.534 5.369 1.00 0.00 C ATOM 279 CD ARG A 22 -3.585 11.258 5.872 1.00 0.00 C ATOM 280 NE ARG A 22 -3.601 12.676 5.523 1.00 0.00 N ATOM 281 CZ ARG A 22 -3.295 13.140 4.316 1.00 0.00 C ATOM 282 NH1 ARG A 22 -2.951 12.302 3.348 1.00 0.00 N ATOM 283 NH2 ARG A 22 -3.333 14.445 4.076 1.00 0.00 N ATOM 0 H ARG A 22 -7.241 7.976 7.925 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.874 9.639 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.567 11.461 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.522 10.710 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.576 9.495 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.157 10.986 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.517 11.152 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.695 10.791 5.450 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.861 13.347 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.921 11.299 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.717 12.661 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.597 15.093 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.098 14.800 3.149 1.00 0.00 H new ATOM 297 N CYS A 23 -6.786 7.307 5.059 1.00 0.00 N ATOM 298 CA CYS A 23 -6.699 6.515 3.838 1.00 0.00 C ATOM 299 C CYS A 23 -8.085 6.067 3.381 1.00 0.00 C ATOM 300 O CYS A 23 -8.953 5.731 4.186 1.00 0.00 O ATOM 301 CB CYS A 23 -5.804 5.294 4.060 1.00 0.00 C ATOM 302 SG CYS A 23 -6.688 3.828 4.685 1.00 0.00 S ATOM 0 H CYS A 23 -6.885 6.757 5.912 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.263 7.140 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.317 5.038 3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.016 5.558 4.765 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.965 4.071 4.714 1.00 0.00 H new ATOM 307 N PRO A 24 -8.298 6.063 2.057 1.00 0.00 N ATOM 308 CA PRO A 24 -9.575 5.658 1.462 1.00 0.00 C ATOM 309 C PRO A 24 -9.834 4.163 1.607 1.00 0.00 C ATOM 310 O PRO A 24 -9.904 3.436 0.617 1.00 0.00 O ATOM 311 CB PRO A 24 -9.413 6.031 -0.014 1.00 0.00 C ATOM 312 CG PRO A 24 -7.942 6.008 -0.251 1.00 0.00 C ATOM 313 CD PRO A 24 -7.308 6.452 1.038 1.00 0.00 C ATOM 0 HA PRO A 24 -10.422 6.142 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.929 5.322 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.832 7.015 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.607 5.008 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.668 6.673 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.348 5.963 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.124 7.526 1.046 1.00 0.00 H new ATOM 321 N MET A 25 -9.977 3.710 2.849 1.00 0.00 N ATOM 322 CA MET A 25 -10.231 2.300 3.123 1.00 0.00 C ATOM 323 C MET A 25 -10.958 2.127 4.453 1.00 0.00 C ATOM 324 O MET A 25 -10.520 2.640 5.483 1.00 0.00 O ATOM 325 CB MET A 25 -8.916 1.517 3.142 1.00 0.00 C ATOM 326 CG MET A 25 -8.698 0.666 1.901 1.00 0.00 C ATOM 327 SD MET A 25 -9.087 -1.073 2.175 1.00 0.00 S ATOM 328 CE MET A 25 -10.639 -0.938 3.060 1.00 0.00 C ATOM 0 H MET A 25 -9.921 4.298 3.680 1.00 0.00 H new ATOM 0 HA MET A 25 -10.867 1.910 2.328 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.087 2.217 3.243 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.898 0.874 4.022 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.316 1.049 1.089 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.660 0.756 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.044 -1.934 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.472 -0.438 4.014 1.00 0.00 H new ATOM 0 HE3 MET A 25 -11.347 -0.360 2.467 1.00 0.00 H new ATOM 338 N LYS A 26 -12.071 1.402 4.424 1.00 0.00 N ATOM 339 CA LYS A 26 -12.859 1.161 5.626 1.00 0.00 C ATOM 340 C LYS A 26 -12.796 -0.308 6.032 1.00 0.00 C ATOM 341 O LYS A 26 -12.817 -1.199 5.182 1.00 0.00 O ATOM 342 CB LYS A 26 -14.314 1.576 5.399 1.00 0.00 C ATOM 343 CG LYS A 26 -14.543 3.073 5.506 1.00 0.00 C ATOM 344 CD LYS A 26 -15.699 3.525 4.629 1.00 0.00 C ATOM 345 CE LYS A 26 -15.534 4.972 4.190 1.00 0.00 C ATOM 346 NZ LYS A 26 -14.715 5.086 2.952 1.00 0.00 N ATOM 0 H LYS A 26 -12.448 0.971 3.580 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.438 1.761 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.630 1.238 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.946 1.067 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.747 3.337 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.636 3.602 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.764 2.883 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.636 3.414 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.516 5.413 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.064 5.543 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.626 6.087 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.770 4.688 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.177 4.562 2.181 1.00 0.00 H new ATOM 360 N LEU A 27 -12.719 -0.554 7.335 1.00 0.00 N ATOM 361 CA LEU A 27 -12.654 -1.916 7.854 1.00 0.00 C ATOM 362 C LEU A 27 -13.769 -2.168 8.864 1.00 0.00 C ATOM 363 O LEU A 27 -14.711 -2.912 8.591 1.00 0.00 O ATOM 364 CB LEU A 27 -11.294 -2.171 8.506 1.00 0.00 C ATOM 365 CG LEU A 27 -10.117 -1.378 7.935 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.186 -1.339 6.417 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.098 0.033 8.507 1.00 0.00 C ATOM 0 H LEU A 27 -12.700 0.172 8.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.784 -2.603 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.376 -1.947 9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.066 -3.233 8.421 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.192 -1.878 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.341 -0.771 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.151 -2.355 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.116 -0.863 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.254 0.583 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.026 0.543 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.999 -0.015 9.591 1.00 0.00 H new ATOM 379 N SER A 28 -13.657 -1.541 10.031 1.00 0.00 N ATOM 380 CA SER A 28 -14.655 -1.698 11.082 1.00 0.00 C ATOM 381 C SER A 28 -14.075 -1.320 12.442 1.00 0.00 C ATOM 382 O SER A 28 -12.888 -1.019 12.561 1.00 0.00 O ATOM 383 CB SER A 28 -15.168 -3.139 11.117 1.00 0.00 C ATOM 384 OG SER A 28 -15.655 -3.476 12.404 1.00 0.00 O ATOM 0 H SER A 28 -12.885 -0.920 10.272 1.00 0.00 H new ATOM 0 HA SER A 28 -15.487 -1.029 10.862 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.962 -3.264 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.365 -3.821 10.839 1.00 0.00 H new ATOM 0 HG SER A 28 -15.978 -4.401 12.399 1.00 0.00 H new ATOM 390 N ARG A 29 -14.923 -1.337 13.465 1.00 0.00 N ATOM 391 CA ARG A 29 -14.497 -0.996 14.817 1.00 0.00 C ATOM 392 C ARG A 29 -13.788 -2.174 15.478 1.00 0.00 C ATOM 393 O ARG A 29 -13.560 -2.174 16.688 1.00 0.00 O ATOM 394 CB ARG A 29 -15.700 -0.571 15.662 1.00 0.00 C ATOM 395 CG ARG A 29 -16.140 0.863 15.418 1.00 0.00 C ATOM 396 CD ARG A 29 -15.067 1.855 15.840 1.00 0.00 C ATOM 397 NE ARG A 29 -15.637 3.131 16.262 1.00 0.00 N ATOM 398 CZ ARG A 29 -15.021 3.976 17.081 1.00 0.00 C ATOM 399 NH1 ARG A 29 -13.821 3.682 17.563 1.00 0.00 N ATOM 400 NH2 ARG A 29 -15.605 5.119 17.419 1.00 0.00 N ATOM 0 H ARG A 29 -15.909 -1.583 13.383 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.796 -0.164 14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.535 -1.239 15.452 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.453 -0.692 16.717 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.368 1.000 14.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.058 1.062 15.970 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.483 1.431 16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.381 2.021 15.010 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.559 3.388 15.909 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.369 2.805 17.305 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.350 4.333 18.192 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.528 5.349 17.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.131 5.767 18.048 1.00 0.00 H new ATOM 414 N ARG A 30 -13.444 -3.176 14.676 1.00 0.00 N ATOM 415 CA ARG A 30 -12.763 -4.361 15.183 1.00 0.00 C ATOM 416 C ARG A 30 -11.409 -4.543 14.503 1.00 0.00 C ATOM 417 O ARG A 30 -10.399 -4.787 15.164 1.00 0.00 O ATOM 418 CB ARG A 30 -13.627 -5.605 14.965 1.00 0.00 C ATOM 419 CG ARG A 30 -14.672 -5.818 16.047 1.00 0.00 C ATOM 420 CD ARG A 30 -15.647 -6.923 15.670 1.00 0.00 C ATOM 421 NE ARG A 30 -16.296 -6.666 14.387 1.00 0.00 N ATOM 422 CZ ARG A 30 -17.195 -7.479 13.843 1.00 0.00 C ATOM 423 NH1 ARG A 30 -17.550 -8.594 14.467 1.00 0.00 N ATOM 424 NH2 ARG A 30 -17.741 -7.176 12.672 1.00 0.00 N ATOM 0 H ARG A 30 -13.626 -3.191 13.672 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.598 -4.225 16.252 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.127 -5.525 14.000 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.981 -6.482 14.918 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.179 -6.071 16.986 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.219 -4.890 16.214 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.117 -7.874 15.624 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.405 -7.018 16.447 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.045 -5.816 13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.133 -8.830 15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.241 -9.216 14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.470 -6.319 12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.431 -7.800 12.254 1.00 0.00 H new ATOM 438 N ASP A 31 -11.397 -4.423 13.180 1.00 0.00 N ATOM 439 CA ASP A 31 -10.167 -4.573 12.411 1.00 0.00 C ATOM 440 C ASP A 31 -9.476 -3.227 12.222 1.00 0.00 C ATOM 441 O ASP A 31 -8.536 -3.104 11.435 1.00 0.00 O ATOM 442 CB ASP A 31 -10.467 -5.202 11.049 1.00 0.00 C ATOM 443 CG ASP A 31 -10.734 -6.691 11.144 1.00 0.00 C ATOM 444 OD1 ASP A 31 -9.957 -7.390 11.827 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.720 -7.157 10.536 1.00 0.00 O ATOM 0 H ASP A 31 -12.224 -4.222 12.618 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.497 -5.229 12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.332 -4.708 10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.625 -5.029 10.379 1.00 0.00 H new ATOM 450 N LEU A 32 -9.946 -2.219 12.949 1.00 0.00 N ATOM 451 CA LEU A 32 -9.374 -0.880 12.861 1.00 0.00 C ATOM 452 C LEU A 32 -7.925 -0.875 13.337 1.00 0.00 C ATOM 453 O LEU A 32 -7.027 -0.369 12.664 1.00 0.00 O ATOM 454 CB LEU A 32 -10.199 0.104 13.693 1.00 0.00 C ATOM 455 CG LEU A 32 -10.254 1.540 13.173 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.559 1.558 11.684 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.292 2.346 13.941 1.00 0.00 C ATOM 0 H LEU A 32 -10.722 -2.304 13.606 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.395 -0.570 11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.218 -0.275 13.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.795 0.121 14.705 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.278 1.999 13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.594 2.589 11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.780 1.017 11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.522 1.080 11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.317 3.366 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.273 1.887 13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.030 2.363 14.999 1.00 0.00 H new ATOM 469 N PRO A 33 -7.689 -1.455 14.523 1.00 0.00 N ATOM 470 CA PRO A 33 -6.350 -1.532 15.114 1.00 0.00 C ATOM 471 C PRO A 33 -5.436 -2.489 14.355 1.00 0.00 C ATOM 472 O PRO A 33 -4.213 -2.371 14.412 1.00 0.00 O ATOM 473 CB PRO A 33 -6.615 -2.055 16.528 1.00 0.00 C ATOM 474 CG PRO A 33 -7.901 -2.800 16.421 1.00 0.00 C ATOM 475 CD PRO A 33 -8.712 -2.079 15.379 1.00 0.00 C ATOM 0 HA PRO A 33 -5.838 -0.570 15.090 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.808 -2.704 16.868 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.689 -1.237 17.245 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.728 -3.837 16.133 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.422 -2.818 17.378 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.344 -2.766 14.815 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.371 -1.334 15.826 1.00 0.00 H new ATOM 483 N ALA A 34 -6.039 -3.437 13.644 1.00 0.00 N ATOM 484 CA ALA A 34 -5.279 -4.412 12.872 1.00 0.00 C ATOM 485 C ALA A 34 -5.120 -3.962 11.423 1.00 0.00 C ATOM 486 O ALA A 34 -4.613 -4.706 10.584 1.00 0.00 O ATOM 487 CB ALA A 34 -5.954 -5.774 12.932 1.00 0.00 C ATOM 0 H ALA A 34 -7.051 -3.550 13.587 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.285 -4.491 13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.376 -6.493 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.010 -6.107 13.968 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.960 -5.700 12.519 1.00 0.00 H new ATOM 493 N HIS A 35 -5.559 -2.740 11.137 1.00 0.00 N ATOM 494 CA HIS A 35 -5.465 -2.191 9.789 1.00 0.00 C ATOM 495 C HIS A 35 -4.337 -1.168 9.696 1.00 0.00 C ATOM 496 O HIS A 35 -3.572 -1.157 8.730 1.00 0.00 O ATOM 497 CB HIS A 35 -6.790 -1.544 9.386 1.00 0.00 C ATOM 498 CG HIS A 35 -6.698 -0.715 8.142 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.389 -1.243 6.906 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.879 0.612 7.947 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.381 -0.277 6.006 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.676 0.859 6.611 1.00 0.00 N ATOM 0 H HIS A 35 -5.983 -2.112 11.820 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.246 -3.010 9.104 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.536 -2.325 9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.143 -0.917 10.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.135 1.341 8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.169 -0.396 4.954 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.742 1.771 6.160 1.00 0.00 H new ATOM 510 N LEU A 36 -4.240 -0.309 10.705 1.00 0.00 N ATOM 511 CA LEU A 36 -3.205 0.719 10.737 1.00 0.00 C ATOM 512 C LEU A 36 -1.844 0.112 11.061 1.00 0.00 C ATOM 513 O LEU A 36 -0.822 0.797 11.015 1.00 0.00 O ATOM 514 CB LEU A 36 -3.557 1.792 11.769 1.00 0.00 C ATOM 515 CG LEU A 36 -5.045 2.100 11.937 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.251 3.186 12.982 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.657 2.515 10.606 1.00 0.00 C ATOM 0 H LEU A 36 -4.865 -0.304 11.511 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.151 1.177 9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.159 1.482 12.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.045 2.714 11.494 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.547 1.195 12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.316 3.392 13.088 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.849 2.851 13.938 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.735 4.094 12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.717 2.730 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.151 3.406 10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.542 1.706 9.885 1.00 0.00 H new ATOM 529 N GLN A 37 -1.839 -1.176 11.387 1.00 0.00 N ATOM 530 CA GLN A 37 -0.602 -1.876 11.717 1.00 0.00 C ATOM 531 C GLN A 37 0.158 -2.264 10.453 1.00 0.00 C ATOM 532 O GLN A 37 1.206 -1.695 10.147 1.00 0.00 O ATOM 533 CB GLN A 37 -0.904 -3.123 12.548 1.00 0.00 C ATOM 534 CG GLN A 37 0.287 -4.056 12.700 1.00 0.00 C ATOM 535 CD GLN A 37 1.260 -3.592 13.766 1.00 0.00 C ATOM 536 OE1 GLN A 37 1.339 -2.402 14.075 1.00 0.00 O ATOM 537 NE2 GLN A 37 2.007 -4.530 14.336 1.00 0.00 N ATOM 0 H GLN A 37 -2.677 -1.756 11.430 1.00 0.00 H new ATOM 0 HA GLN A 37 0.023 -1.201 12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.244 -2.817 13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.726 -3.669 12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.069 -5.056 12.949 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.808 -4.132 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.909 -5.504 14.050 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.679 -4.277 15.060 1.00 0.00 H new ATOM 546 N HIS A 38 -0.378 -3.236 9.721 1.00 0.00 N ATOM 547 CA HIS A 38 0.250 -3.700 8.489 1.00 0.00 C ATOM 548 C HIS A 38 -0.798 -3.971 7.414 1.00 0.00 C ATOM 549 O HIS A 38 -0.544 -4.703 6.457 1.00 0.00 O ATOM 550 CB HIS A 38 1.066 -4.966 8.753 1.00 0.00 C ATOM 551 CG HIS A 38 0.235 -6.133 9.193 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.383 -7.400 8.671 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.755 -6.218 10.112 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.482 -8.215 9.249 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.184 -7.523 10.128 1.00 0.00 N ATOM 0 H HIS A 38 -1.245 -3.717 9.960 1.00 0.00 H new ATOM 0 HA HIS A 38 0.917 -2.915 8.132 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.606 -5.236 7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.814 -4.754 9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.137 -5.411 10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.596 -9.268 9.038 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.924 -7.897 10.722 1.00 0.00 H new ATOM 563 N ASP A 39 -1.975 -3.377 7.578 1.00 0.00 N ATOM 564 CA ASP A 39 -3.061 -3.554 6.622 1.00 0.00 C ATOM 565 C ASP A 39 -3.549 -2.206 6.098 1.00 0.00 C ATOM 566 O ASP A 39 -4.577 -2.125 5.426 1.00 0.00 O ATOM 567 CB ASP A 39 -4.220 -4.313 7.269 1.00 0.00 C ATOM 568 CG ASP A 39 -4.387 -5.709 6.699 1.00 0.00 C ATOM 569 OD1 ASP A 39 -4.157 -5.886 5.484 1.00 0.00 O ATOM 570 OD2 ASP A 39 -4.747 -6.624 7.469 1.00 0.00 O ATOM 0 H ASP A 39 -2.201 -2.768 8.365 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.681 -4.135 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.052 -4.380 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.143 -3.752 7.125 1.00 0.00 H new ATOM 575 N CYS A 40 -2.804 -1.151 6.411 1.00 0.00 N ATOM 576 CA CYS A 40 -3.161 0.193 5.974 1.00 0.00 C ATOM 577 C CYS A 40 -2.130 0.736 4.989 1.00 0.00 C ATOM 578 O CYS A 40 -0.921 0.625 5.192 1.00 0.00 O ATOM 579 CB CYS A 40 -3.274 1.130 7.179 1.00 0.00 C ATOM 580 SG CYS A 40 -3.634 2.862 6.742 1.00 0.00 S ATOM 0 H CYS A 40 -1.949 -1.201 6.966 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.126 0.141 5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.059 0.762 7.839 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.341 1.095 7.742 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.780 2.926 6.131 1.00 0.00 H new ATOM 585 N PRO A 41 -2.618 1.338 3.894 1.00 0.00 N ATOM 586 CA PRO A 41 -1.757 1.910 2.855 1.00 0.00 C ATOM 587 C PRO A 41 -1.023 3.159 3.333 1.00 0.00 C ATOM 588 O PRO A 41 0.080 3.457 2.876 1.00 0.00 O ATOM 589 CB PRO A 41 -2.739 2.264 1.735 1.00 0.00 C ATOM 590 CG PRO A 41 -4.045 2.461 2.424 1.00 0.00 C ATOM 591 CD PRO A 41 -4.048 1.506 3.586 1.00 0.00 C ATOM 0 HA PRO A 41 -0.972 1.218 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.430 3.166 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.799 1.467 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.155 3.491 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.877 2.258 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.597 1.910 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.517 0.557 3.325 1.00 0.00 H new ATOM 599 N LYS A 42 -1.642 3.886 4.257 1.00 0.00 N ATOM 600 CA LYS A 42 -1.048 5.102 4.800 1.00 0.00 C ATOM 601 C LYS A 42 -0.628 4.900 6.252 1.00 0.00 C ATOM 602 O LYS A 42 -0.607 5.847 7.039 1.00 0.00 O ATOM 603 CB LYS A 42 -2.037 6.265 4.700 1.00 0.00 C ATOM 604 CG LYS A 42 -2.659 6.419 3.323 1.00 0.00 C ATOM 605 CD LYS A 42 -1.941 7.476 2.501 1.00 0.00 C ATOM 606 CE LYS A 42 -2.011 7.167 1.014 1.00 0.00 C ATOM 607 NZ LYS A 42 -0.960 7.893 0.247 1.00 0.00 N ATOM 0 H LYS A 42 -2.556 3.654 4.646 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.160 5.337 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.830 6.120 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.524 7.190 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.625 5.464 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.710 6.689 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.387 8.452 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.898 7.535 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.897 6.094 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.994 7.441 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.041 7.656 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.084 8.918 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.021 7.612 0.594 1.00 0.00 H new ATOM 621 N ARG A 43 -0.292 3.662 6.600 1.00 0.00 N ATOM 622 CA ARG A 43 0.128 3.338 7.958 1.00 0.00 C ATOM 623 C ARG A 43 0.948 4.475 8.560 1.00 0.00 C ATOM 624 O ARG A 43 0.935 4.689 9.772 1.00 0.00 O ATOM 625 CB ARG A 43 0.946 2.045 7.966 1.00 0.00 C ATOM 626 CG ARG A 43 2.119 2.061 7.000 1.00 0.00 C ATOM 627 CD ARG A 43 1.780 1.349 5.700 1.00 0.00 C ATOM 628 NE ARG A 43 2.967 1.105 4.884 1.00 0.00 N ATOM 629 CZ ARG A 43 2.927 0.904 3.572 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.766 0.918 2.930 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.050 0.689 2.898 1.00 0.00 N ATOM 0 H ARG A 43 -0.302 2.867 5.961 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.767 3.198 8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.319 1.867 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.292 1.210 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.403 3.092 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.981 1.582 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.292 0.400 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.068 1.949 5.133 1.00 0.00 H new ATOM 0 HE ARG A 43 3.876 1.088 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.901 1.084 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.739 0.763 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.945 0.678 3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.018 0.535 1.890 1.00 0.00 H new ATOM 645 N ARG A 44 1.659 5.202 7.704 1.00 0.00 N ATOM 646 CA ARG A 44 2.486 6.316 8.152 1.00 0.00 C ATOM 647 C ARG A 44 3.583 5.834 9.097 1.00 0.00 C ATOM 648 O ARG A 44 3.765 6.383 10.185 1.00 0.00 O ATOM 649 CB ARG A 44 1.625 7.371 8.849 1.00 0.00 C ATOM 650 CG ARG A 44 0.829 8.239 7.888 1.00 0.00 C ATOM 651 CD ARG A 44 1.580 9.514 7.537 1.00 0.00 C ATOM 652 NE ARG A 44 2.733 9.253 6.680 1.00 0.00 N ATOM 653 CZ ARG A 44 3.781 10.063 6.591 1.00 0.00 C ATOM 654 NH1 ARG A 44 3.822 11.181 7.304 1.00 0.00 N ATOM 655 NH2 ARG A 44 4.793 9.756 5.789 1.00 0.00 N ATOM 0 H ARG A 44 1.679 5.040 6.697 1.00 0.00 H new ATOM 0 HA ARG A 44 2.956 6.762 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.936 6.873 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.268 8.010 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.618 7.677 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.132 8.493 8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.904 10.206 7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.913 10.002 8.453 1.00 0.00 H new ATOM 0 HE ARG A 44 2.733 8.401 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.047 11.420 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.629 11.801 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.766 8.897 5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.598 10.379 5.722 1.00 0.00 H new ATOM 669 N LEU A 45 4.310 4.806 8.675 1.00 0.00 N ATOM 670 CA LEU A 45 5.389 4.249 9.484 1.00 0.00 C ATOM 671 C LEU A 45 6.663 4.094 8.660 1.00 0.00 C ATOM 672 O LEU A 45 6.783 3.177 7.848 1.00 0.00 O ATOM 673 CB LEU A 45 4.973 2.894 10.061 1.00 0.00 C ATOM 674 CG LEU A 45 3.678 2.879 10.872 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.088 1.477 10.911 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.925 3.394 12.283 1.00 0.00 C ATOM 0 H LEU A 45 4.172 4.341 7.778 1.00 0.00 H new ATOM 0 HA LEU A 45 5.590 4.940 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.871 2.187 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.780 2.529 10.696 1.00 0.00 H new ATOM 0 HG LEU A 45 2.961 3.540 10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.166 1.486 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.873 1.144 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.802 0.795 11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.992 3.376 12.846 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.660 2.759 12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.301 4.416 12.237 1.00 0.00 H new ATOM 688 N LYS A 46 7.614 4.997 8.876 1.00 0.00 N ATOM 689 CA LYS A 46 8.882 4.961 8.157 1.00 0.00 C ATOM 690 C LYS A 46 10.030 4.604 9.096 1.00 0.00 C ATOM 691 O LYS A 46 9.951 4.832 10.303 1.00 0.00 O ATOM 692 CB LYS A 46 9.153 6.312 7.492 1.00 0.00 C ATOM 693 CG LYS A 46 10.426 6.337 6.662 1.00 0.00 C ATOM 694 CD LYS A 46 10.463 7.540 5.735 1.00 0.00 C ATOM 695 CE LYS A 46 11.031 8.765 6.435 1.00 0.00 C ATOM 696 NZ LYS A 46 10.076 9.328 7.430 1.00 0.00 N ATOM 0 H LYS A 46 7.530 5.763 9.544 1.00 0.00 H new ATOM 0 HA LYS A 46 8.813 4.192 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.308 6.569 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.216 7.081 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.292 6.359 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.497 5.421 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.068 7.307 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.456 7.757 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.962 8.498 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.274 9.526 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.151 10.365 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.106 9.052 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.304 8.961 8.376 1.00 0.00 H new ATOM 710 N CYS A 47 11.096 4.045 8.533 1.00 0.00 N ATOM 711 CA CYS A 47 12.261 3.658 9.319 1.00 0.00 C ATOM 712 C CYS A 47 13.040 4.887 9.779 1.00 0.00 C ATOM 713 O CYS A 47 12.942 5.956 9.178 1.00 0.00 O ATOM 714 CB CYS A 47 13.172 2.739 8.502 1.00 0.00 C ATOM 715 SG CYS A 47 14.612 2.109 9.422 1.00 0.00 S ATOM 0 H CYS A 47 11.177 3.850 7.535 1.00 0.00 H new ATOM 0 HA CYS A 47 11.911 3.121 10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.587 1.893 8.141 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.524 3.281 7.624 1.00 0.00 H new ATOM 0 HG CYS A 47 14.214 1.259 10.322 1.00 0.00 H new ATOM 720 N GLU A 48 13.813 4.725 10.848 1.00 0.00 N ATOM 721 CA GLU A 48 14.608 5.821 11.389 1.00 0.00 C ATOM 722 C GLU A 48 16.061 5.714 10.936 1.00 0.00 C ATOM 723 O GLU A 48 16.758 6.720 10.806 1.00 0.00 O ATOM 724 CB GLU A 48 14.537 5.828 12.917 1.00 0.00 C ATOM 725 CG GLU A 48 15.806 6.331 13.583 1.00 0.00 C ATOM 726 CD GLU A 48 15.539 7.000 14.918 1.00 0.00 C ATOM 727 OE1 GLU A 48 15.202 8.203 14.921 1.00 0.00 O ATOM 728 OE2 GLU A 48 15.667 6.322 15.958 1.00 0.00 O ATOM 0 H GLU A 48 13.906 3.846 11.356 1.00 0.00 H new ATOM 0 HA GLU A 48 14.195 6.756 11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.700 6.452 13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.329 4.817 13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.490 5.495 13.730 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.304 7.038 12.920 1.00 0.00 H new ATOM 735 N PHE A 49 16.512 4.486 10.699 1.00 0.00 N ATOM 736 CA PHE A 49 17.882 4.246 10.263 1.00 0.00 C ATOM 737 C PHE A 49 18.065 4.641 8.800 1.00 0.00 C ATOM 738 O PHE A 49 18.842 5.541 8.481 1.00 0.00 O ATOM 739 CB PHE A 49 18.250 2.773 10.454 1.00 0.00 C ATOM 740 CG PHE A 49 18.720 2.449 11.843 1.00 0.00 C ATOM 741 CD1 PHE A 49 18.495 3.330 12.889 1.00 0.00 C ATOM 742 CD2 PHE A 49 19.388 1.263 12.104 1.00 0.00 C ATOM 743 CE1 PHE A 49 18.926 3.034 14.168 1.00 0.00 C ATOM 744 CE2 PHE A 49 19.821 0.961 13.381 1.00 0.00 C ATOM 745 CZ PHE A 49 19.591 1.849 14.414 1.00 0.00 C ATOM 0 H PHE A 49 15.948 3.642 10.802 1.00 0.00 H new ATOM 0 HA PHE A 49 18.543 4.861 10.873 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.382 2.156 10.219 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.032 2.507 9.743 1.00 0.00 H new ATOM 0 HD1 PHE A 49 17.977 4.259 12.702 1.00 0.00 H new ATOM 0 HD2 PHE A 49 19.572 0.566 11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.743 3.729 14.974 1.00 0.00 H new ATOM 0 HE2 PHE A 49 20.338 0.032 13.571 1.00 0.00 H new ATOM 0 HZ PHE A 49 19.931 1.617 15.413 1.00 0.00 H new ATOM 755 N CYS A 50 17.343 3.962 7.915 1.00 0.00 N ATOM 756 CA CYS A 50 17.424 4.239 6.487 1.00 0.00 C ATOM 757 C CYS A 50 16.447 5.343 6.090 1.00 0.00 C ATOM 758 O CYS A 50 16.807 6.278 5.376 1.00 0.00 O ATOM 759 CB CYS A 50 17.132 2.971 5.682 1.00 0.00 C ATOM 760 SG CYS A 50 15.433 2.344 5.874 1.00 0.00 S ATOM 0 H CYS A 50 16.694 3.215 8.163 1.00 0.00 H new ATOM 0 HA CYS A 50 18.436 4.577 6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.316 3.173 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.832 2.192 5.985 1.00 0.00 H new ATOM 0 HG CYS A 50 15.207 2.079 7.126 1.00 0.00 H new ATOM 765 N GLY A 51 15.209 5.226 6.560 1.00 0.00 N ATOM 766 CA GLY A 51 14.199 6.219 6.244 1.00 0.00 C ATOM 767 C GLY A 51 13.336 5.815 5.066 1.00 0.00 C ATOM 768 O GLY A 51 13.211 6.561 4.094 1.00 0.00 O ATOM 0 H GLY A 51 14.887 4.462 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.565 6.378 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.685 7.170 6.025 1.00 0.00 H new ATOM 772 N CYS A 52 12.740 4.631 5.150 1.00 0.00 N ATOM 773 CA CYS A 52 11.886 4.127 4.080 1.00 0.00 C ATOM 774 C CYS A 52 10.581 3.572 4.642 1.00 0.00 C ATOM 775 O CYS A 52 10.581 2.845 5.636 1.00 0.00 O ATOM 776 CB CYS A 52 12.615 3.043 3.285 1.00 0.00 C ATOM 777 SG CYS A 52 13.676 3.681 1.968 1.00 0.00 S ATOM 0 H CYS A 52 12.832 4.002 5.948 1.00 0.00 H new ATOM 0 HA CYS A 52 11.650 4.958 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.221 2.451 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.877 2.370 2.848 1.00 0.00 H new ATOM 0 HG CYS A 52 14.251 2.689 1.355 1.00 0.00 H new ATOM 783 N ASP A 53 9.471 3.920 4.001 1.00 0.00 N ATOM 784 CA ASP A 53 8.159 3.458 4.436 1.00 0.00 C ATOM 785 C ASP A 53 8.172 1.955 4.698 1.00 0.00 C ATOM 786 O ASP A 53 8.819 1.194 3.978 1.00 0.00 O ATOM 787 CB ASP A 53 7.100 3.796 3.385 1.00 0.00 C ATOM 788 CG ASP A 53 5.711 3.914 3.980 1.00 0.00 C ATOM 789 OD1 ASP A 53 5.604 4.038 5.219 1.00 0.00 O ATOM 790 OD2 ASP A 53 4.731 3.883 3.208 1.00 0.00 O ATOM 0 H ASP A 53 9.454 4.521 3.177 1.00 0.00 H new ATOM 0 HA ASP A 53 7.911 3.969 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.364 4.734 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.098 3.025 2.615 1.00 0.00 H new ATOM 795 N PHE A 54 7.453 1.534 5.734 1.00 0.00 N ATOM 796 CA PHE A 54 7.384 0.122 6.092 1.00 0.00 C ATOM 797 C PHE A 54 6.034 -0.214 6.718 1.00 0.00 C ATOM 798 O PHE A 54 5.231 0.674 7.005 1.00 0.00 O ATOM 799 CB PHE A 54 8.512 -0.236 7.062 1.00 0.00 C ATOM 800 CG PHE A 54 9.825 -0.500 6.383 1.00 0.00 C ATOM 801 CD1 PHE A 54 9.947 -1.519 5.453 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.938 0.273 6.674 1.00 0.00 C ATOM 803 CE1 PHE A 54 11.155 -1.764 4.827 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.148 0.033 6.051 1.00 0.00 C ATOM 805 CZ PHE A 54 12.256 -0.986 5.126 1.00 0.00 C ATOM 0 H PHE A 54 6.911 2.150 6.340 1.00 0.00 H new ATOM 0 HA PHE A 54 7.499 -0.465 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.638 0.578 7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.223 -1.119 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.089 -2.129 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.859 1.072 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.238 -2.563 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.008 0.642 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.200 -1.174 4.637 1.00 0.00 H new ATOM 815 N SER A 55 5.790 -1.504 6.928 1.00 0.00 N ATOM 816 CA SER A 55 4.535 -1.959 7.516 1.00 0.00 C ATOM 817 C SER A 55 4.653 -2.065 9.033 1.00 0.00 C ATOM 818 O SER A 55 5.704 -1.780 9.606 1.00 0.00 O ATOM 819 CB SER A 55 4.134 -3.314 6.928 1.00 0.00 C ATOM 820 OG SER A 55 3.921 -3.221 5.530 1.00 0.00 O ATOM 0 H SER A 55 6.445 -2.252 6.700 1.00 0.00 H new ATOM 0 HA SER A 55 3.764 -1.226 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.914 -4.048 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.226 -3.671 7.414 1.00 0.00 H new ATOM 0 HG SER A 55 3.668 -4.100 5.179 1.00 0.00 H new ATOM 826 N GLY A 56 3.566 -2.477 9.678 1.00 0.00 N ATOM 827 CA GLY A 56 3.567 -2.613 11.123 1.00 0.00 C ATOM 828 C GLY A 56 4.498 -3.710 11.601 1.00 0.00 C ATOM 829 O GLY A 56 5.594 -3.435 12.087 1.00 0.00 O ATOM 0 H GLY A 56 2.684 -2.719 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.864 -1.666 11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.554 -2.825 11.466 1.00 0.00 H new ATOM 833 N GLU A 57 4.059 -4.958 11.464 1.00 0.00 N ATOM 834 CA GLU A 57 4.860 -6.100 11.888 1.00 0.00 C ATOM 835 C GLU A 57 6.242 -6.065 11.242 1.00 0.00 C ATOM 836 O GLU A 57 7.237 -6.444 11.859 1.00 0.00 O ATOM 837 CB GLU A 57 4.152 -7.409 11.532 1.00 0.00 C ATOM 838 CG GLU A 57 4.298 -7.802 10.072 1.00 0.00 C ATOM 839 CD GLU A 57 3.861 -9.230 9.806 1.00 0.00 C ATOM 840 OE1 GLU A 57 2.648 -9.509 9.912 1.00 0.00 O ATOM 841 OE2 GLU A 57 4.732 -10.068 9.492 1.00 0.00 O ATOM 0 H GLU A 57 3.154 -5.203 11.063 1.00 0.00 H new ATOM 0 HA GLU A 57 4.982 -6.044 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.550 -8.209 12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.092 -7.316 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.707 -7.124 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.338 -7.682 9.769 1.00 0.00 H new ATOM 848 N ALA A 58 6.295 -5.607 9.996 1.00 0.00 N ATOM 849 CA ALA A 58 7.554 -5.521 9.266 1.00 0.00 C ATOM 850 C ALA A 58 8.513 -4.546 9.940 1.00 0.00 C ATOM 851 O ALA A 58 9.608 -4.925 10.356 1.00 0.00 O ATOM 852 CB ALA A 58 7.301 -5.104 7.825 1.00 0.00 C ATOM 0 H ALA A 58 5.480 -5.290 9.471 1.00 0.00 H new ATOM 0 HA ALA A 58 8.017 -6.508 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.250 -5.044 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.659 -5.840 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.813 -4.129 7.809 1.00 0.00 H new ATOM 858 N TYR A 59 8.095 -3.289 10.045 1.00 0.00 N ATOM 859 CA TYR A 59 8.920 -2.259 10.666 1.00 0.00 C ATOM 860 C TYR A 59 9.633 -2.803 11.900 1.00 0.00 C ATOM 861 O TYR A 59 10.805 -2.507 12.132 1.00 0.00 O ATOM 862 CB TYR A 59 8.061 -1.052 11.050 1.00 0.00 C ATOM 863 CG TYR A 59 8.825 0.025 11.786 1.00 0.00 C ATOM 864 CD1 TYR A 59 10.207 0.120 11.678 1.00 0.00 C ATOM 865 CD2 TYR A 59 8.166 0.945 12.591 1.00 0.00 C ATOM 866 CE1 TYR A 59 10.910 1.102 12.350 1.00 0.00 C ATOM 867 CE2 TYR A 59 8.860 1.931 13.265 1.00 0.00 C ATOM 868 CZ TYR A 59 10.232 2.005 13.142 1.00 0.00 C ATOM 869 OH TYR A 59 10.927 2.985 13.813 1.00 0.00 O ATOM 0 H TYR A 59 7.190 -2.959 9.708 1.00 0.00 H new ATOM 0 HA TYR A 59 9.673 -1.946 9.942 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.626 -0.624 10.147 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.233 -1.389 11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.741 -0.585 11.058 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.092 0.889 12.692 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.984 1.162 12.255 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.331 2.640 13.885 1.00 0.00 H new ATOM 0 HH TYR A 59 10.301 3.538 14.325 1.00 0.00 H new ATOM 879 N GLU A 60 8.917 -3.599 12.687 1.00 0.00 N ATOM 880 CA GLU A 60 9.482 -4.184 13.897 1.00 0.00 C ATOM 881 C GLU A 60 10.697 -5.047 13.569 1.00 0.00 C ATOM 882 O GLU A 60 11.762 -4.890 14.166 1.00 0.00 O ATOM 883 CB GLU A 60 8.429 -5.024 14.623 1.00 0.00 C ATOM 884 CG GLU A 60 7.534 -4.213 15.546 1.00 0.00 C ATOM 885 CD GLU A 60 6.599 -3.290 14.789 1.00 0.00 C ATOM 886 OE1 GLU A 60 7.097 -2.364 14.114 1.00 0.00 O ATOM 887 OE2 GLU A 60 5.370 -3.493 14.870 1.00 0.00 O ATOM 0 H GLU A 60 7.945 -3.853 12.509 1.00 0.00 H new ATOM 0 HA GLU A 60 9.801 -3.370 14.548 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.809 -5.532 13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.931 -5.797 15.205 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.947 -4.891 16.165 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.154 -3.623 16.221 1.00 0.00 H new ATOM 894 N SER A 61 10.529 -5.957 12.615 1.00 0.00 N ATOM 895 CA SER A 61 11.611 -6.848 12.210 1.00 0.00 C ATOM 896 C SER A 61 12.696 -6.079 11.462 1.00 0.00 C ATOM 897 O SER A 61 13.838 -6.530 11.366 1.00 0.00 O ATOM 898 CB SER A 61 11.068 -7.974 11.328 1.00 0.00 C ATOM 899 OG SER A 61 12.081 -8.493 10.484 1.00 0.00 O ATOM 0 H SER A 61 9.655 -6.097 12.108 1.00 0.00 H new ATOM 0 HA SER A 61 12.050 -7.280 13.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.669 -8.771 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.242 -7.600 10.723 1.00 0.00 H new ATOM 0 HG SER A 61 11.710 -9.212 9.931 1.00 0.00 H new ATOM 905 N HIS A 62 12.331 -4.915 10.934 1.00 0.00 N ATOM 906 CA HIS A 62 13.273 -4.082 10.194 1.00 0.00 C ATOM 907 C HIS A 62 14.104 -3.227 11.146 1.00 0.00 C ATOM 908 O HIS A 62 15.157 -2.711 10.772 1.00 0.00 O ATOM 909 CB HIS A 62 12.526 -3.187 9.205 1.00 0.00 C ATOM 910 CG HIS A 62 13.431 -2.346 8.358 1.00 0.00 C ATOM 911 ND1 HIS A 62 13.981 -2.789 7.174 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.881 -1.080 8.529 1.00 0.00 C ATOM 913 CE1 HIS A 62 14.730 -1.834 6.654 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.686 -0.786 7.457 1.00 0.00 N ATOM 0 H HIS A 62 11.390 -4.527 11.005 1.00 0.00 H new ATOM 0 HA HIS A 62 13.946 -4.738 9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.910 -3.810 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.849 -2.535 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.649 -0.424 9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.284 -1.899 5.729 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.171 0.098 7.305 1.00 0.00 H new ATOM 922 N GLU A 63 13.623 -3.081 12.376 1.00 0.00 N ATOM 923 CA GLU A 63 14.322 -2.286 13.380 1.00 0.00 C ATOM 924 C GLU A 63 15.700 -2.872 13.674 1.00 0.00 C ATOM 925 O GLU A 63 16.625 -2.152 14.049 1.00 0.00 O ATOM 926 CB GLU A 63 13.500 -2.214 14.669 1.00 0.00 C ATOM 927 CG GLU A 63 14.314 -1.814 15.888 1.00 0.00 C ATOM 928 CD GLU A 63 14.777 -0.371 15.831 1.00 0.00 C ATOM 929 OE1 GLU A 63 14.947 0.153 14.711 1.00 0.00 O ATOM 930 OE2 GLU A 63 14.969 0.234 16.907 1.00 0.00 O ATOM 0 H GLU A 63 12.753 -3.502 12.702 1.00 0.00 H new ATOM 0 HA GLU A 63 14.451 -1.279 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.689 -1.499 14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.041 -3.185 14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.715 -1.964 16.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.182 -2.468 15.971 1.00 0.00 H new ATOM 937 N GLY A 64 15.828 -4.184 13.502 1.00 0.00 N ATOM 938 CA GLY A 64 17.095 -4.845 13.754 1.00 0.00 C ATOM 939 C GLY A 64 17.869 -5.121 12.480 1.00 0.00 C ATOM 940 O GLY A 64 19.084 -5.309 12.513 1.00 0.00 O ATOM 0 H GLY A 64 15.077 -4.801 13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.700 -4.225 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.914 -5.785 14.276 1.00 0.00 H new ATOM 944 N MET A 65 17.162 -5.146 11.355 1.00 0.00 N ATOM 945 CA MET A 65 17.791 -5.402 10.064 1.00 0.00 C ATOM 946 C MET A 65 17.528 -4.254 9.094 1.00 0.00 C ATOM 947 O MET A 65 16.595 -4.306 8.292 1.00 0.00 O ATOM 948 CB MET A 65 17.273 -6.714 9.471 1.00 0.00 C ATOM 949 CG MET A 65 17.889 -7.951 10.104 1.00 0.00 C ATOM 950 SD MET A 65 19.676 -8.033 9.873 1.00 0.00 S ATOM 951 CE MET A 65 19.779 -8.971 8.351 1.00 0.00 C ATOM 0 H MET A 65 16.155 -4.992 11.311 1.00 0.00 H new ATOM 0 HA MET A 65 18.867 -5.482 10.222 1.00 0.00 H new ATOM 0 HB2 MET A 65 16.190 -6.755 9.591 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.476 -6.724 8.400 1.00 0.00 H new ATOM 0 HG2 MET A 65 17.664 -7.959 11.170 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.430 -8.841 9.674 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.825 -9.105 8.076 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.313 -9.946 8.492 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.262 -8.433 7.557 1.00 0.00 H new ATOM 961 N CYS A 66 18.357 -3.218 9.173 1.00 0.00 N ATOM 962 CA CYS A 66 18.214 -2.057 8.303 1.00 0.00 C ATOM 963 C CYS A 66 19.402 -1.940 7.352 1.00 0.00 C ATOM 964 O CYS A 66 20.558 -2.111 7.739 1.00 0.00 O ATOM 965 CB CYS A 66 18.088 -0.781 9.138 1.00 0.00 C ATOM 966 SG CYS A 66 17.982 0.746 8.150 1.00 0.00 S ATOM 0 H CYS A 66 19.135 -3.159 9.831 1.00 0.00 H new ATOM 0 HA CYS A 66 17.308 -2.187 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.201 -0.857 9.766 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.947 -0.710 9.806 1.00 0.00 H new ATOM 0 HG CYS A 66 16.834 1.319 8.358 1.00 0.00 H new ATOM 971 N PRO A 67 19.112 -1.641 6.077 1.00 0.00 N ATOM 972 CA PRO A 67 20.142 -1.494 5.045 1.00 0.00 C ATOM 973 C PRO A 67 20.991 -0.244 5.247 1.00 0.00 C ATOM 974 O PRO A 67 22.159 -0.208 4.863 1.00 0.00 O ATOM 975 CB PRO A 67 19.333 -1.387 3.749 1.00 0.00 C ATOM 976 CG PRO A 67 18.006 -0.860 4.174 1.00 0.00 C ATOM 977 CD PRO A 67 17.756 -1.424 5.546 1.00 0.00 C ATOM 0 HA PRO A 67 20.850 -2.323 5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.815 -0.718 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.236 -2.357 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.007 0.230 4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.224 -1.165 3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.187 -0.732 6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.188 -2.353 5.501 1.00 0.00 H new ATOM 985 N GLN A 68 20.396 0.779 5.852 1.00 0.00 N ATOM 986 CA GLN A 68 21.099 2.031 6.105 1.00 0.00 C ATOM 987 C GLN A 68 21.028 2.407 7.581 1.00 0.00 C ATOM 988 O GLN A 68 20.162 3.179 7.993 1.00 0.00 O ATOM 989 CB GLN A 68 20.508 3.153 5.251 1.00 0.00 C ATOM 990 CG GLN A 68 21.174 3.300 3.892 1.00 0.00 C ATOM 991 CD GLN A 68 22.649 3.630 3.998 1.00 0.00 C ATOM 992 OE1 GLN A 68 23.024 4.766 4.290 1.00 0.00 O ATOM 993 NE2 GLN A 68 23.497 2.635 3.762 1.00 0.00 N ATOM 0 H GLN A 68 19.429 0.765 6.176 1.00 0.00 H new ATOM 0 HA GLN A 68 22.146 1.892 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.444 2.966 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.595 4.095 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 68 21.052 2.374 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 68 20.670 4.084 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 68 23.143 1.709 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 68 24.502 2.797 3.820 1.00 0.00 H new ATOM 1002 N GLU A 69 21.943 1.856 8.372 1.00 0.00 N ATOM 1003 CA GLU A 69 21.982 2.134 9.803 1.00 0.00 C ATOM 1004 C GLU A 69 23.036 3.190 10.124 1.00 0.00 C ATOM 1005 O GLU A 69 24.181 2.864 10.437 1.00 0.00 O ATOM 1006 CB GLU A 69 22.273 0.852 10.586 1.00 0.00 C ATOM 1007 CG GLU A 69 22.389 1.068 12.086 1.00 0.00 C ATOM 1008 CD GLU A 69 23.801 1.408 12.520 1.00 0.00 C ATOM 1009 OE1 GLU A 69 24.741 0.719 12.071 1.00 0.00 O ATOM 1010 OE2 GLU A 69 23.967 2.362 13.308 1.00 0.00 O ATOM 0 H GLU A 69 22.667 1.215 8.047 1.00 0.00 H new ATOM 0 HA GLU A 69 21.006 2.519 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.480 0.130 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 69 23.201 0.414 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.717 1.872 12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.060 0.168 12.605 1.00 0.00 H new