USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot 30:sc= -0.339 USER MOD Set 1.2: A 33 CYS SG : rot -93:sc= -1.09 USER MOD Set 1.3: A 53 CYS SG : rot 127:sc= 0.812 USER MOD Set 1.4: A 56 CYS SG : rot -65:sc= -3.97! USER MOD Set 2.1: A 14 CYS SG : rot -144:sc= 0.397 USER MOD Set 2.2: A 17 CYS SG : rot 148:sc= -2.39! USER MOD Set 2.3: A 38 CYS SG : rot -135:sc= -0.63 USER MOD Set 2.4: A 41 CYS SG : rot 84:sc= -1.7! USER MOD Single : A 18 MET CE :methyl -146:sc= -0.478 (180deg=-2.58!) USER MOD Single : A 27 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.567 K(o=-0.57,f=-4.3!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 164:sc= 1.27 USER MOD Single : A 50 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.89) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -100:sc= -0.216 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.719 0.924 -0.587 1.00 0.00 N ATOM 166 CA VAL A 12 -14.620 0.208 -1.294 1.00 0.00 C ATOM 167 C VAL A 12 -14.427 -1.172 -0.659 1.00 0.00 C ATOM 168 O VAL A 12 -14.834 -1.412 0.459 1.00 0.00 O ATOM 169 CB VAL A 12 -13.322 1.011 -1.172 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.400 0.666 -2.343 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.643 2.507 -1.201 1.00 0.00 C ATOM 0 HA VAL A 12 -14.877 0.095 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.828 0.764 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.475 1.237 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.172 -0.400 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.895 0.915 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.719 3.079 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.136 2.755 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.302 2.754 -0.369 1.00 0.00 H new ATOM 181 N GLU A 13 -13.813 -2.083 -1.364 1.00 0.00 N ATOM 182 CA GLU A 13 -13.602 -3.444 -0.794 1.00 0.00 C ATOM 183 C GLU A 13 -12.302 -4.038 -1.340 1.00 0.00 C ATOM 184 O GLU A 13 -12.086 -4.091 -2.534 1.00 0.00 O ATOM 185 CB GLU A 13 -14.775 -4.345 -1.186 1.00 0.00 C ATOM 186 CG GLU A 13 -15.088 -4.159 -2.673 1.00 0.00 C ATOM 187 CD GLU A 13 -16.517 -4.625 -2.958 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.698 -5.807 -3.197 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.407 -3.791 -2.933 1.00 0.00 O ATOM 0 H GLU A 13 -13.449 -1.944 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.538 -3.374 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.530 -5.388 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.651 -4.101 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.974 -3.111 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.382 -4.728 -3.278 1.00 0.00 H new ATOM 196 N CYS A 14 -11.437 -4.493 -0.475 1.00 0.00 N ATOM 197 CA CYS A 14 -10.155 -5.091 -0.945 1.00 0.00 C ATOM 198 C CYS A 14 -10.451 -6.092 -2.069 1.00 0.00 C ATOM 199 O CYS A 14 -10.971 -7.158 -1.813 1.00 0.00 O ATOM 200 CB CYS A 14 -9.474 -5.821 0.215 1.00 0.00 C ATOM 201 SG CYS A 14 -7.688 -5.896 -0.082 1.00 0.00 S ATOM 0 H CYS A 14 -11.563 -4.476 0.537 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.498 -4.303 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.676 -5.303 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.880 -6.828 0.313 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.222 -7.028 0.356 1.00 0.00 H new ATOM 206 N PRO A 15 -10.117 -5.718 -3.279 1.00 0.00 N ATOM 207 CA PRO A 15 -10.340 -6.570 -4.461 1.00 0.00 C ATOM 208 C PRO A 15 -9.241 -7.632 -4.565 1.00 0.00 C ATOM 209 O PRO A 15 -9.375 -8.614 -5.268 1.00 0.00 O ATOM 210 CB PRO A 15 -10.251 -5.587 -5.631 1.00 0.00 C ATOM 211 CG PRO A 15 -9.431 -4.375 -5.122 1.00 0.00 C ATOM 212 CD PRO A 15 -9.493 -4.415 -3.584 1.00 0.00 C ATOM 0 HA PRO A 15 -11.287 -7.108 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.767 -6.050 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.245 -5.276 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.399 -4.432 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.844 -3.441 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.499 -4.337 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.083 -3.589 -3.188 1.00 0.00 H new ATOM 220 N LEU A 16 -8.152 -7.433 -3.876 1.00 0.00 N ATOM 221 CA LEU A 16 -7.033 -8.416 -3.934 1.00 0.00 C ATOM 222 C LEU A 16 -7.352 -9.632 -3.060 1.00 0.00 C ATOM 223 O LEU A 16 -6.909 -10.732 -3.329 1.00 0.00 O ATOM 224 CB LEU A 16 -5.756 -7.741 -3.436 1.00 0.00 C ATOM 225 CG LEU A 16 -5.336 -6.671 -4.441 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.349 -5.298 -3.768 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.928 -6.981 -4.946 1.00 0.00 C ATOM 0 H LEU A 16 -7.988 -6.628 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.898 -8.753 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.924 -7.293 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.962 -8.478 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.033 -6.665 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.049 -4.537 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.354 -5.079 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.654 -5.298 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.623 -6.220 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.233 -6.986 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.922 -7.958 -5.429 1.00 0.00 H new ATOM 239 N CYS A 17 -8.120 -9.449 -2.023 1.00 0.00 N ATOM 240 CA CYS A 17 -8.471 -10.599 -1.141 1.00 0.00 C ATOM 241 C CYS A 17 -9.980 -10.590 -0.887 1.00 0.00 C ATOM 242 O CYS A 17 -10.499 -11.378 -0.121 1.00 0.00 O ATOM 243 CB CYS A 17 -7.712 -10.481 0.191 1.00 0.00 C ATOM 244 SG CYS A 17 -8.536 -9.289 1.284 1.00 0.00 S ATOM 0 H CYS A 17 -8.521 -8.553 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.189 -11.535 -1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.663 -11.456 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.685 -10.165 0.005 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.371 -9.649 2.522 1.00 0.00 H new ATOM 249 N MET A 18 -10.682 -9.693 -1.519 1.00 0.00 N ATOM 250 CA MET A 18 -12.150 -9.615 -1.313 1.00 0.00 C ATOM 251 C MET A 18 -12.442 -9.359 0.166 1.00 0.00 C ATOM 252 O MET A 18 -12.691 -10.271 0.928 1.00 0.00 O ATOM 253 CB MET A 18 -12.801 -10.928 -1.747 1.00 0.00 C ATOM 254 CG MET A 18 -13.668 -10.677 -2.980 1.00 0.00 C ATOM 255 SD MET A 18 -15.388 -11.097 -2.604 1.00 0.00 S ATOM 256 CE MET A 18 -15.081 -12.773 -1.999 1.00 0.00 C ATOM 0 H MET A 18 -10.299 -9.009 -2.171 1.00 0.00 H new ATOM 0 HA MET A 18 -12.558 -8.799 -1.910 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.035 -11.670 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.408 -11.332 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.595 -9.632 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.311 -11.277 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 18 -15.919 -13.416 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.168 -13.161 -2.450 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.971 -12.754 -0.915 1.00 0.00 H new ATOM 266 N GLU A 19 -12.409 -8.121 0.577 1.00 0.00 N ATOM 267 CA GLU A 19 -12.682 -7.801 2.007 1.00 0.00 C ATOM 268 C GLU A 19 -13.299 -6.402 2.111 1.00 0.00 C ATOM 269 O GLU A 19 -13.227 -5.624 1.181 1.00 0.00 O ATOM 270 CB GLU A 19 -11.374 -7.842 2.799 1.00 0.00 C ATOM 271 CG GLU A 19 -11.455 -8.941 3.860 1.00 0.00 C ATOM 272 CD GLU A 19 -10.485 -10.069 3.503 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.893 -10.968 2.785 1.00 0.00 O ATOM 274 OE2 GLU A 19 -9.353 -10.016 3.953 1.00 0.00 O ATOM 0 H GLU A 19 -12.205 -7.317 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.377 -8.535 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.536 -8.030 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.193 -6.877 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.210 -8.533 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.472 -9.328 3.921 1.00 0.00 H new ATOM 281 N PRO A 20 -13.894 -6.130 3.245 1.00 0.00 N ATOM 282 CA PRO A 20 -14.544 -4.835 3.515 1.00 0.00 C ATOM 283 C PRO A 20 -13.507 -3.766 3.878 1.00 0.00 C ATOM 284 O PRO A 20 -12.779 -3.896 4.842 1.00 0.00 O ATOM 285 CB PRO A 20 -15.450 -5.135 4.714 1.00 0.00 C ATOM 286 CG PRO A 20 -14.853 -6.381 5.410 1.00 0.00 C ATOM 287 CD PRO A 20 -13.975 -7.092 4.365 1.00 0.00 C ATOM 0 HA PRO A 20 -15.087 -4.446 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.483 -4.287 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.473 -5.324 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.263 -6.093 6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.644 -7.042 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.987 -7.322 4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.418 -8.036 4.048 1.00 0.00 H new ATOM 295 N LEU A 21 -13.441 -2.704 3.118 1.00 0.00 N ATOM 296 CA LEU A 21 -12.459 -1.626 3.426 1.00 0.00 C ATOM 297 C LEU A 21 -13.112 -0.595 4.350 1.00 0.00 C ATOM 298 O LEU A 21 -14.190 -0.103 4.081 1.00 0.00 O ATOM 299 CB LEU A 21 -12.026 -0.942 2.126 1.00 0.00 C ATOM 300 CG LEU A 21 -10.847 -1.701 1.513 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.584 -1.181 0.098 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.602 -1.483 2.373 1.00 0.00 C ATOM 0 H LEU A 21 -14.025 -2.538 2.298 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.587 -2.057 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.859 -0.915 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.742 0.092 2.324 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.082 -2.765 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.744 -1.722 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.472 -1.333 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.349 -0.118 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.761 -2.023 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.369 -0.419 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.788 -1.852 3.382 1.00 0.00 H new ATOM 314 N GLU A 22 -12.469 -0.264 5.438 1.00 0.00 N ATOM 315 CA GLU A 22 -13.059 0.735 6.375 1.00 0.00 C ATOM 316 C GLU A 22 -12.587 2.138 5.985 1.00 0.00 C ATOM 317 O GLU A 22 -12.215 2.388 4.856 1.00 0.00 O ATOM 318 CB GLU A 22 -12.611 0.424 7.805 1.00 0.00 C ATOM 319 CG GLU A 22 -13.009 -1.009 8.165 1.00 0.00 C ATOM 320 CD GLU A 22 -14.507 -1.062 8.470 1.00 0.00 C ATOM 321 OE1 GLU A 22 -15.157 -0.039 8.337 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.980 -2.128 8.835 1.00 0.00 O ATOM 0 H GLU A 22 -11.563 -0.641 5.718 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.147 0.688 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.531 0.546 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.069 1.126 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.771 -1.682 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.439 -1.350 9.029 1.00 0.00 H new ATOM 329 N ILE A 23 -12.605 3.057 6.912 1.00 0.00 N ATOM 330 CA ILE A 23 -12.163 4.445 6.595 1.00 0.00 C ATOM 331 C ILE A 23 -10.640 4.549 6.755 1.00 0.00 C ATOM 332 O ILE A 23 -9.961 5.113 5.921 1.00 0.00 O ATOM 333 CB ILE A 23 -12.867 5.424 7.547 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.269 5.736 7.009 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.070 6.729 7.649 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.124 4.467 7.027 1.00 0.00 C ATOM 0 H ILE A 23 -12.907 2.907 7.875 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.424 4.693 5.566 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.937 4.968 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.738 6.510 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.201 6.125 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.579 7.414 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.071 6.517 8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.992 7.186 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.119 4.693 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.659 3.706 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -15.204 4.097 8.049 1.00 0.00 H new ATOM 348 N ASP A 24 -10.099 4.015 7.817 1.00 0.00 N ATOM 349 CA ASP A 24 -8.622 4.096 8.018 1.00 0.00 C ATOM 350 C ASP A 24 -7.927 2.978 7.236 1.00 0.00 C ATOM 351 O ASP A 24 -6.756 2.714 7.425 1.00 0.00 O ATOM 352 CB ASP A 24 -8.299 3.947 9.507 1.00 0.00 C ATOM 353 CG ASP A 24 -8.303 5.325 10.170 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.475 6.141 9.801 1.00 0.00 O ATOM 355 OD2 ASP A 24 -9.135 5.541 11.037 1.00 0.00 O ATOM 0 H ASP A 24 -10.613 3.528 8.552 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.266 5.062 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.033 3.299 9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.325 3.474 9.633 1.00 0.00 H new ATOM 360 N ASP A 25 -8.634 2.322 6.359 1.00 0.00 N ATOM 361 CA ASP A 25 -8.006 1.227 5.568 1.00 0.00 C ATOM 362 C ASP A 25 -7.922 1.645 4.097 1.00 0.00 C ATOM 363 O ASP A 25 -7.319 0.971 3.284 1.00 0.00 O ATOM 364 CB ASP A 25 -8.852 -0.042 5.694 1.00 0.00 C ATOM 365 CG ASP A 25 -8.799 -0.549 7.136 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.501 0.246 8.012 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.054 -1.725 7.340 1.00 0.00 O ATOM 0 H ASP A 25 -9.618 2.496 6.156 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.003 1.032 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.883 0.166 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.481 -0.809 5.014 1.00 0.00 H new ATOM 372 N ILE A 26 -8.522 2.751 3.749 1.00 0.00 N ATOM 373 CA ILE A 26 -8.477 3.213 2.333 1.00 0.00 C ATOM 374 C ILE A 26 -7.152 3.933 2.070 1.00 0.00 C ATOM 375 O ILE A 26 -6.240 3.383 1.485 1.00 0.00 O ATOM 376 CB ILE A 26 -9.639 4.176 2.077 1.00 0.00 C ATOM 377 CG1 ILE A 26 -10.960 3.403 2.119 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.474 4.827 0.702 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.130 4.388 2.168 1.00 0.00 C ATOM 0 H ILE A 26 -9.042 3.355 4.385 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.560 2.354 1.668 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.644 4.949 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.047 2.763 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.984 2.751 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.302 5.512 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.534 5.378 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.468 4.055 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.069 3.836 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.046 5.009 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.110 5.022 1.281 1.00 0.00 H new ATOM 391 N ASN A 27 -7.041 5.161 2.497 1.00 0.00 N ATOM 392 CA ASN A 27 -5.778 5.923 2.272 1.00 0.00 C ATOM 393 C ASN A 27 -4.577 5.068 2.680 1.00 0.00 C ATOM 394 O ASN A 27 -3.469 5.287 2.232 1.00 0.00 O ATOM 395 CB ASN A 27 -5.799 7.201 3.114 1.00 0.00 C ATOM 396 CG ASN A 27 -5.245 8.363 2.289 1.00 0.00 C ATOM 397 OD1 ASN A 27 -4.178 8.871 2.575 1.00 0.00 O ATOM 398 ND2 ASN A 27 -5.927 8.807 1.270 1.00 0.00 N ATOM 0 H ASN A 27 -7.772 5.671 2.993 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.696 6.179 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.817 7.421 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.203 7.065 4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.565 9.581 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.822 8.380 1.031 1.00 0.00 H new ATOM 405 N PHE A 28 -4.784 4.099 3.528 1.00 0.00 N ATOM 406 CA PHE A 28 -3.648 3.240 3.963 1.00 0.00 C ATOM 407 C PHE A 28 -3.233 2.311 2.819 1.00 0.00 C ATOM 408 O PHE A 28 -3.740 1.215 2.683 1.00 0.00 O ATOM 409 CB PHE A 28 -4.074 2.400 5.170 1.00 0.00 C ATOM 410 CG PHE A 28 -3.035 1.338 5.437 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.730 1.706 5.788 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.374 -0.017 5.328 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.765 0.720 6.030 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.410 -1.002 5.572 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.105 -0.634 5.922 1.00 0.00 C ATOM 0 H PHE A 28 -5.688 3.865 3.938 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.805 3.874 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.192 3.037 6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.042 1.937 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.468 2.750 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.380 -0.302 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.241 1.004 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.673 -2.046 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.361 -1.394 6.109 1.00 0.00 H new ATOM 425 N PHE A 29 -2.306 2.733 2.003 1.00 0.00 N ATOM 426 CA PHE A 29 -1.855 1.862 0.883 1.00 0.00 C ATOM 427 C PHE A 29 -0.370 1.543 1.062 1.00 0.00 C ATOM 428 O PHE A 29 0.397 2.394 1.468 1.00 0.00 O ATOM 429 CB PHE A 29 -2.052 2.580 -0.455 1.00 0.00 C ATOM 430 CG PHE A 29 -1.689 4.037 -0.308 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.346 4.422 -0.191 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.700 5.004 -0.292 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.018 5.777 -0.057 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.372 6.357 -0.158 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.032 6.744 -0.041 1.00 0.00 C ATOM 0 H PHE A 29 -1.843 3.640 2.064 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.441 0.943 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.432 2.116 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.088 2.484 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.434 3.675 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.734 4.706 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.016 6.076 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.153 7.103 -0.145 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.779 7.789 0.062 1.00 0.00 H new ATOM 445 N PRO A 30 -0.004 0.330 0.748 1.00 0.00 N ATOM 446 CA PRO A 30 1.390 -0.122 0.856 1.00 0.00 C ATOM 447 C PRO A 30 2.208 0.415 -0.322 1.00 0.00 C ATOM 448 O PRO A 30 3.387 0.163 -0.434 1.00 0.00 O ATOM 449 CB PRO A 30 1.280 -1.647 0.803 1.00 0.00 C ATOM 450 CG PRO A 30 -0.068 -1.964 0.111 1.00 0.00 C ATOM 451 CD PRO A 30 -0.940 -0.702 0.254 1.00 0.00 C ATOM 0 HA PRO A 30 1.891 0.227 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.113 -2.077 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.312 -2.074 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.084 -2.214 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.550 -2.824 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.384 -0.414 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.761 -0.862 0.952 1.00 0.00 H new ATOM 459 N CYS A 31 1.586 1.155 -1.200 1.00 0.00 N ATOM 460 CA CYS A 31 2.329 1.706 -2.370 1.00 0.00 C ATOM 461 C CYS A 31 1.787 3.096 -2.712 1.00 0.00 C ATOM 462 O CYS A 31 0.695 3.458 -2.326 1.00 0.00 O ATOM 463 CB CYS A 31 2.148 0.776 -3.569 1.00 0.00 C ATOM 464 SG CYS A 31 3.411 1.140 -4.812 1.00 0.00 S ATOM 0 H CYS A 31 0.597 1.402 -1.158 1.00 0.00 H new ATOM 0 HA CYS A 31 3.389 1.782 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.225 -0.264 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.154 0.906 -3.997 1.00 0.00 H new ATOM 0 HG CYS A 31 4.484 1.581 -4.225 1.00 0.00 H new ATOM 469 N THR A 32 2.545 3.880 -3.432 1.00 0.00 N ATOM 470 CA THR A 32 2.070 5.248 -3.790 1.00 0.00 C ATOM 471 C THR A 32 1.294 5.205 -5.109 1.00 0.00 C ATOM 472 O THR A 32 0.593 6.134 -5.453 1.00 0.00 O ATOM 473 CB THR A 32 3.274 6.182 -3.942 1.00 0.00 C ATOM 474 OG1 THR A 32 2.847 7.410 -4.515 1.00 0.00 O ATOM 475 CG2 THR A 32 4.319 5.528 -4.848 1.00 0.00 C ATOM 0 H THR A 32 3.469 3.633 -3.786 1.00 0.00 H new ATOM 0 HA THR A 32 1.415 5.615 -3.000 1.00 0.00 H new ATOM 0 HB THR A 32 3.715 6.371 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.615 8.010 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.175 6.194 -4.955 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.645 4.586 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.882 5.337 -5.828 1.00 0.00 H new ATOM 483 N CYS A 33 1.413 4.139 -5.854 1.00 0.00 N ATOM 484 CA CYS A 33 0.677 4.060 -7.147 1.00 0.00 C ATOM 485 C CYS A 33 -0.825 4.192 -6.887 1.00 0.00 C ATOM 486 O CYS A 33 -1.548 4.783 -7.664 1.00 0.00 O ATOM 487 CB CYS A 33 0.967 2.722 -7.831 1.00 0.00 C ATOM 488 SG CYS A 33 0.325 1.363 -6.824 1.00 0.00 S ATOM 0 H CYS A 33 1.984 3.325 -5.625 1.00 0.00 H new ATOM 0 HA CYS A 33 1.006 4.870 -7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.508 2.702 -8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.041 2.603 -7.976 1.00 0.00 H new ATOM 0 HG CYS A 33 1.263 0.926 -6.037 1.00 0.00 H new ATOM 493 N GLY A 34 -1.301 3.656 -5.795 1.00 0.00 N ATOM 494 CA GLY A 34 -2.755 3.763 -5.487 1.00 0.00 C ATOM 495 C GLY A 34 -3.369 2.366 -5.381 1.00 0.00 C ATOM 496 O GLY A 34 -4.572 2.204 -5.437 1.00 0.00 O ATOM 0 H GLY A 34 -0.746 3.150 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.899 4.305 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.260 4.333 -6.267 1.00 0.00 H new ATOM 500 N TYR A 35 -2.561 1.355 -5.221 1.00 0.00 N ATOM 501 CA TYR A 35 -3.113 -0.023 -5.103 1.00 0.00 C ATOM 502 C TYR A 35 -3.418 -0.313 -3.632 1.00 0.00 C ATOM 503 O TYR A 35 -3.156 -1.390 -3.134 1.00 0.00 O ATOM 504 CB TYR A 35 -2.090 -1.034 -5.632 1.00 0.00 C ATOM 505 CG TYR A 35 -2.804 -2.238 -6.205 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.948 -2.068 -6.997 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.318 -3.528 -5.950 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.603 -3.184 -7.530 1.00 0.00 C ATOM 509 CE2 TYR A 35 -2.974 -4.643 -6.484 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.116 -4.471 -7.274 1.00 0.00 C ATOM 511 OH TYR A 35 -4.763 -5.571 -7.801 1.00 0.00 O ATOM 0 H TYR A 35 -1.545 1.423 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.028 -0.106 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.470 -0.569 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.423 -1.345 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.324 -1.075 -7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.436 -3.662 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.485 -3.052 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.599 -5.636 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.114 -6.288 -7.959 1.00 0.00 H new ATOM 521 N GLN A 36 -3.961 0.651 -2.935 1.00 0.00 N ATOM 522 CA GLN A 36 -4.283 0.452 -1.487 1.00 0.00 C ATOM 523 C GLN A 36 -4.854 -0.949 -1.278 1.00 0.00 C ATOM 524 O GLN A 36 -5.285 -1.602 -2.208 1.00 0.00 O ATOM 525 CB GLN A 36 -5.314 1.489 -0.996 1.00 0.00 C ATOM 526 CG GLN A 36 -5.887 2.291 -2.168 1.00 0.00 C ATOM 527 CD GLN A 36 -7.015 3.195 -1.667 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.109 2.735 -1.407 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.792 4.471 -1.520 1.00 0.00 N ATOM 0 H GLN A 36 -4.197 1.571 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.362 0.577 -0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.122 0.982 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.843 2.166 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.103 2.892 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.263 1.615 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.873 4.857 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.536 5.084 -1.187 1.00 0.00 H new ATOM 538 N ILE A 37 -4.855 -1.417 -0.062 1.00 0.00 N ATOM 539 CA ILE A 37 -5.390 -2.777 0.213 1.00 0.00 C ATOM 540 C ILE A 37 -5.862 -2.855 1.664 1.00 0.00 C ATOM 541 O ILE A 37 -5.916 -1.863 2.364 1.00 0.00 O ATOM 542 CB ILE A 37 -4.286 -3.809 -0.023 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.948 -3.253 0.475 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.183 -4.110 -1.518 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.904 -3.309 2.003 1.00 0.00 C ATOM 0 H ILE A 37 -4.507 -0.915 0.755 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.230 -2.982 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.524 -4.724 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.124 -3.831 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.821 -2.225 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.397 -4.845 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.133 -4.506 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.945 -3.194 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.951 -2.913 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.719 -2.712 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.011 -4.343 2.332 1.00 0.00 H new ATOM 557 N CYS A 38 -6.201 -4.025 2.124 1.00 0.00 N ATOM 558 CA CYS A 38 -6.664 -4.163 3.531 1.00 0.00 C ATOM 559 C CYS A 38 -5.457 -4.441 4.432 1.00 0.00 C ATOM 560 O CYS A 38 -4.362 -4.676 3.962 1.00 0.00 O ATOM 561 CB CYS A 38 -7.675 -5.313 3.626 1.00 0.00 C ATOM 562 SG CYS A 38 -6.818 -6.906 3.537 1.00 0.00 S ATOM 0 H CYS A 38 -6.178 -4.892 1.587 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.148 -3.242 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.231 -5.242 4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.401 -5.237 2.817 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.451 -7.694 2.720 1.00 0.00 H new ATOM 567 N ARG A 39 -5.642 -4.409 5.724 1.00 0.00 N ATOM 568 CA ARG A 39 -4.498 -4.665 6.645 1.00 0.00 C ATOM 569 C ARG A 39 -4.160 -6.160 6.642 1.00 0.00 C ATOM 570 O ARG A 39 -3.091 -6.564 7.054 1.00 0.00 O ATOM 571 CB ARG A 39 -4.872 -4.223 8.060 1.00 0.00 C ATOM 572 CG ARG A 39 -4.564 -2.734 8.223 1.00 0.00 C ATOM 573 CD ARG A 39 -5.620 -2.091 9.122 1.00 0.00 C ATOM 574 NE ARG A 39 -4.947 -1.343 10.220 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.872 -0.042 10.173 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.706 0.542 10.121 1.00 0.00 N ATOM 577 NH2 ARG A 39 -5.961 0.675 10.176 1.00 0.00 N ATOM 0 H ARG A 39 -6.534 -4.217 6.181 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.629 -4.100 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.930 -4.409 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.314 -4.804 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.573 -2.602 8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.554 -2.245 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.248 -1.417 8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.275 -2.857 9.537 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.545 -1.849 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.854 -0.019 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.646 1.560 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.872 0.218 10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.902 1.693 10.139 1.00 0.00 H new ATOM 591 N PHE A 40 -5.061 -6.981 6.178 1.00 0.00 N ATOM 592 CA PHE A 40 -4.788 -8.446 6.145 1.00 0.00 C ATOM 593 C PHE A 40 -3.976 -8.782 4.890 1.00 0.00 C ATOM 594 O PHE A 40 -3.402 -9.846 4.777 1.00 0.00 O ATOM 595 CB PHE A 40 -6.112 -9.211 6.119 1.00 0.00 C ATOM 596 CG PHE A 40 -6.880 -8.928 7.387 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.259 -9.099 8.632 1.00 0.00 C ATOM 598 CD2 PHE A 40 -8.209 -8.494 7.321 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.969 -8.835 9.809 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.919 -8.231 8.499 1.00 0.00 C ATOM 601 CZ PHE A 40 -8.299 -8.401 9.743 1.00 0.00 C ATOM 0 H PHE A 40 -5.974 -6.701 5.820 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.223 -8.733 7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.700 -8.913 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.925 -10.281 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.234 -9.434 8.683 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.687 -8.362 6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.491 -8.966 10.769 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.945 -7.897 8.448 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.846 -8.197 10.651 1.00 0.00 H new ATOM 611 N CYS A 41 -3.920 -7.877 3.950 1.00 0.00 N ATOM 612 CA CYS A 41 -3.139 -8.135 2.707 1.00 0.00 C ATOM 613 C CYS A 41 -1.704 -7.646 2.904 1.00 0.00 C ATOM 614 O CYS A 41 -0.764 -8.215 2.384 1.00 0.00 O ATOM 615 CB CYS A 41 -3.776 -7.386 1.531 1.00 0.00 C ATOM 616 SG CYS A 41 -4.981 -8.455 0.703 1.00 0.00 S ATOM 0 H CYS A 41 -4.382 -6.969 3.990 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.138 -9.204 2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.265 -6.479 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.005 -7.076 0.825 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.116 -8.399 1.334 1.00 0.00 H new ATOM 621 N TRP A 42 -1.532 -6.593 3.652 1.00 0.00 N ATOM 622 CA TRP A 42 -0.163 -6.056 3.890 1.00 0.00 C ATOM 623 C TRP A 42 0.529 -6.886 4.974 1.00 0.00 C ATOM 624 O TRP A 42 1.735 -6.850 5.121 1.00 0.00 O ATOM 625 CB TRP A 42 -0.274 -4.599 4.343 1.00 0.00 C ATOM 626 CG TRP A 42 1.081 -4.073 4.688 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.031 -3.719 3.791 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.651 -3.830 6.006 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.149 -3.276 4.476 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.963 -3.325 5.844 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.163 -3.997 7.314 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.762 -2.998 6.941 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.963 -3.668 8.420 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.260 -3.170 8.233 1.00 0.00 C ATOM 0 H TRP A 42 -2.284 -6.079 4.111 1.00 0.00 H new ATOM 0 HA TRP A 42 0.423 -6.110 2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.718 -3.995 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.934 -4.526 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.933 -3.773 2.717 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.005 -2.953 4.026 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.166 -4.381 7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.761 -2.615 6.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.577 -3.799 9.420 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.871 -2.919 9.088 1.00 0.00 H new ATOM 645 N HIS A 43 -0.225 -7.633 5.734 1.00 0.00 N ATOM 646 CA HIS A 43 0.388 -8.468 6.807 1.00 0.00 C ATOM 647 C HIS A 43 0.878 -9.791 6.212 1.00 0.00 C ATOM 648 O HIS A 43 1.370 -10.652 6.913 1.00 0.00 O ATOM 649 CB HIS A 43 -0.658 -8.753 7.888 1.00 0.00 C ATOM 650 CG HIS A 43 -0.393 -7.889 9.090 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.088 -8.408 10.282 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.544 -6.540 9.301 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.208 -7.385 11.149 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.164 -6.225 10.602 1.00 0.00 N ATOM 0 H HIS A 43 -1.240 -7.701 5.658 1.00 0.00 H new ATOM 0 HA HIS A 43 1.231 -7.934 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.658 -8.557 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.626 -9.805 8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.903 -5.832 8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.562 -7.490 12.164 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.169 -5.305 11.043 1.00 0.00 H new ATOM 662 N ARG A 44 0.743 -9.964 4.925 1.00 0.00 N ATOM 663 CA ARG A 44 1.196 -11.234 4.292 1.00 0.00 C ATOM 664 C ARG A 44 2.244 -10.930 3.219 1.00 0.00 C ATOM 665 O ARG A 44 3.103 -11.739 2.930 1.00 0.00 O ATOM 666 CB ARG A 44 -0.003 -11.936 3.649 1.00 0.00 C ATOM 667 CG ARG A 44 0.448 -13.258 3.025 1.00 0.00 C ATOM 668 CD ARG A 44 -0.773 -14.142 2.765 1.00 0.00 C ATOM 669 NE ARG A 44 -1.046 -14.978 3.968 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.275 -15.196 4.348 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.817 -14.445 5.268 1.00 0.00 N ATOM 672 NH2 ARG A 44 -2.962 -16.168 3.812 1.00 0.00 N ATOM 0 H ARG A 44 0.338 -9.280 4.285 1.00 0.00 H new ATOM 0 HA ARG A 44 1.635 -11.881 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.773 -12.120 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.446 -11.295 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.979 -13.070 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.144 -13.768 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.640 -13.524 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.596 -14.779 1.899 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.271 -15.380 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.280 -13.688 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.778 -14.616 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.538 -16.758 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.923 -16.338 4.110 1.00 0.00 H new ATOM 686 N ILE A 45 2.177 -9.771 2.623 1.00 0.00 N ATOM 687 CA ILE A 45 3.166 -9.419 1.566 1.00 0.00 C ATOM 688 C ILE A 45 4.500 -9.035 2.214 1.00 0.00 C ATOM 689 O ILE A 45 5.553 -9.460 1.782 1.00 0.00 O ATOM 690 CB ILE A 45 2.638 -8.241 0.747 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.344 -8.653 0.041 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.679 -7.835 -0.297 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.340 -7.500 0.098 1.00 0.00 C ATOM 0 H ILE A 45 1.480 -9.053 2.822 1.00 0.00 H new ATOM 0 HA ILE A 45 3.318 -10.278 0.913 1.00 0.00 H new ATOM 0 HB ILE A 45 2.441 -7.398 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.552 -8.917 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.924 -9.539 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.301 -6.995 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.602 -7.543 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.877 -8.677 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.581 -7.794 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.124 -7.257 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.761 -6.626 -0.399 1.00 0.00 H new ATOM 705 N ARG A 46 4.466 -8.234 3.243 1.00 0.00 N ATOM 706 CA ARG A 46 5.736 -7.826 3.910 1.00 0.00 C ATOM 707 C ARG A 46 6.075 -8.818 5.026 1.00 0.00 C ATOM 708 O ARG A 46 6.753 -8.488 5.978 1.00 0.00 O ATOM 709 CB ARG A 46 5.574 -6.425 4.506 1.00 0.00 C ATOM 710 CG ARG A 46 6.954 -5.826 4.786 1.00 0.00 C ATOM 711 CD ARG A 46 6.802 -4.352 5.171 1.00 0.00 C ATOM 712 NE ARG A 46 7.781 -4.016 6.242 1.00 0.00 N ATOM 713 CZ ARG A 46 8.815 -3.265 5.971 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.671 -2.197 5.234 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.992 -3.582 6.436 1.00 0.00 N ATOM 0 H ARG A 46 3.616 -7.845 3.651 1.00 0.00 H new ATOM 0 HA ARG A 46 6.542 -7.819 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.022 -5.787 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.994 -6.475 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.444 -6.374 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.588 -5.919 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.968 -3.718 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.787 -4.158 5.517 1.00 0.00 H new ATOM 0 HE ARG A 46 7.644 -4.373 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.751 -1.949 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.478 -1.611 5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.105 -4.417 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.799 -2.995 6.224 1.00 0.00 H new ATOM 729 N THR A 47 5.608 -10.032 4.917 1.00 0.00 N ATOM 730 CA THR A 47 5.904 -11.042 5.971 1.00 0.00 C ATOM 731 C THR A 47 6.518 -12.288 5.327 1.00 0.00 C ATOM 732 O THR A 47 7.661 -12.624 5.569 1.00 0.00 O ATOM 733 CB THR A 47 4.608 -11.425 6.691 1.00 0.00 C ATOM 734 OG1 THR A 47 3.956 -10.248 7.144 1.00 0.00 O ATOM 735 CG2 THR A 47 4.929 -12.324 7.887 1.00 0.00 C ATOM 0 H THR A 47 5.034 -10.368 4.143 1.00 0.00 H new ATOM 0 HA THR A 47 6.607 -10.621 6.689 1.00 0.00 H new ATOM 0 HB THR A 47 3.956 -11.962 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.027 -10.457 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.005 -12.595 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.429 -13.228 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.582 -11.791 8.578 1.00 0.00 H new ATOM 743 N ASP A 48 5.767 -12.977 4.511 1.00 0.00 N ATOM 744 CA ASP A 48 6.308 -14.201 3.855 1.00 0.00 C ATOM 745 C ASP A 48 6.782 -13.860 2.439 1.00 0.00 C ATOM 746 O ASP A 48 7.322 -14.694 1.739 1.00 0.00 O ATOM 747 CB ASP A 48 5.212 -15.268 3.782 1.00 0.00 C ATOM 748 CG ASP A 48 5.082 -15.960 5.140 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.651 -15.458 6.096 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.418 -16.981 5.202 1.00 0.00 O ATOM 0 H ASP A 48 4.803 -12.745 4.271 1.00 0.00 H new ATOM 0 HA ASP A 48 7.148 -14.580 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.263 -14.811 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.453 -16.000 3.011 1.00 0.00 H new ATOM 755 N GLU A 49 6.582 -12.642 2.011 1.00 0.00 N ATOM 756 CA GLU A 49 7.021 -12.253 0.640 1.00 0.00 C ATOM 757 C GLU A 49 8.184 -11.264 0.738 1.00 0.00 C ATOM 758 O GLU A 49 8.971 -11.306 1.663 1.00 0.00 O ATOM 759 CB GLU A 49 5.854 -11.596 -0.100 1.00 0.00 C ATOM 760 CG GLU A 49 5.863 -12.037 -1.564 1.00 0.00 C ATOM 761 CD GLU A 49 4.425 -12.139 -2.076 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.778 -13.128 -1.772 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.995 -11.227 -2.761 1.00 0.00 O ATOM 0 H GLU A 49 6.134 -11.901 2.551 1.00 0.00 H new ATOM 0 HA GLU A 49 7.344 -13.140 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.910 -11.874 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.934 -10.511 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.425 -11.323 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.364 -13.000 -1.662 1.00 0.00 H new ATOM 770 N ASN A 50 8.300 -10.371 -0.208 1.00 0.00 N ATOM 771 CA ASN A 50 9.414 -9.382 -0.163 1.00 0.00 C ATOM 772 C ASN A 50 8.873 -8.020 0.279 1.00 0.00 C ATOM 773 O ASN A 50 9.548 -7.261 0.945 1.00 0.00 O ATOM 774 CB ASN A 50 10.041 -9.253 -1.554 1.00 0.00 C ATOM 775 CG ASN A 50 11.497 -8.802 -1.413 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.878 -8.249 -0.401 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.332 -9.017 -2.392 1.00 0.00 N ATOM 0 H ASN A 50 7.673 -10.284 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 50 10.169 -9.721 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.993 -10.208 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.482 -8.534 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.304 -8.721 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.013 -9.481 -3.242 1.00 0.00 H new ATOM 784 N GLY A 51 7.661 -7.705 -0.085 1.00 0.00 N ATOM 785 CA GLY A 51 7.082 -6.392 0.318 1.00 0.00 C ATOM 786 C GLY A 51 7.035 -5.457 -0.893 1.00 0.00 C ATOM 787 O GLY A 51 7.090 -4.251 -0.760 1.00 0.00 O ATOM 0 H GLY A 51 7.047 -8.298 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.079 -6.534 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.683 -5.946 1.111 1.00 0.00 H new ATOM 791 N LEU A 52 6.934 -6.004 -2.074 1.00 0.00 N ATOM 792 CA LEU A 52 6.884 -5.141 -3.288 1.00 0.00 C ATOM 793 C LEU A 52 5.427 -4.910 -3.696 1.00 0.00 C ATOM 794 O LEU A 52 4.513 -5.474 -3.128 1.00 0.00 O ATOM 795 CB LEU A 52 7.634 -5.823 -4.437 1.00 0.00 C ATOM 796 CG LEU A 52 9.142 -5.630 -4.262 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.865 -6.108 -5.523 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.451 -4.148 -4.035 1.00 0.00 C ATOM 0 H LEU A 52 6.884 -7.007 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 52 7.355 -4.183 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.395 -6.886 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.313 -5.405 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 52 9.481 -6.207 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.939 -5.971 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.650 -7.164 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.521 -5.530 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.526 -4.015 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.111 -3.570 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.937 -3.802 -3.138 1.00 0.00 H new ATOM 810 N CYS A 53 5.205 -4.078 -4.676 1.00 0.00 N ATOM 811 CA CYS A 53 3.810 -3.802 -5.125 1.00 0.00 C ATOM 812 C CYS A 53 3.422 -4.780 -6.241 1.00 0.00 C ATOM 813 O CYS A 53 4.056 -4.810 -7.277 1.00 0.00 O ATOM 814 CB CYS A 53 3.725 -2.368 -5.652 1.00 0.00 C ATOM 815 SG CYS A 53 2.027 -2.004 -6.166 1.00 0.00 S ATOM 0 H CYS A 53 5.931 -3.576 -5.187 1.00 0.00 H new ATOM 0 HA CYS A 53 3.127 -3.927 -4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.039 -1.667 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.405 -2.239 -6.494 1.00 0.00 H new ATOM 0 HG CYS A 53 1.620 -0.917 -5.580 1.00 0.00 H new ATOM 820 N PRO A 54 2.388 -5.552 -6.003 1.00 0.00 N ATOM 821 CA PRO A 54 1.892 -6.537 -6.980 1.00 0.00 C ATOM 822 C PRO A 54 1.001 -5.861 -8.030 1.00 0.00 C ATOM 823 O PRO A 54 0.215 -6.509 -8.692 1.00 0.00 O ATOM 824 CB PRO A 54 1.066 -7.501 -6.124 1.00 0.00 C ATOM 825 CG PRO A 54 0.658 -6.718 -4.852 1.00 0.00 C ATOM 826 CD PRO A 54 1.622 -5.522 -4.738 1.00 0.00 C ATOM 0 HA PRO A 54 2.694 -7.028 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.186 -7.845 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.647 -8.386 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.375 -6.377 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.724 -7.353 -3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.080 -4.583 -4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.278 -5.620 -3.873 1.00 0.00 H new ATOM 834 N ALA A 55 1.105 -4.568 -8.186 1.00 0.00 N ATOM 835 CA ALA A 55 0.248 -3.874 -9.188 1.00 0.00 C ATOM 836 C ALA A 55 1.095 -2.930 -10.046 1.00 0.00 C ATOM 837 O ALA A 55 0.789 -2.689 -11.197 1.00 0.00 O ATOM 838 CB ALA A 55 -0.832 -3.068 -8.461 1.00 0.00 C ATOM 0 H ALA A 55 1.743 -3.966 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.217 -4.619 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.460 -2.559 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.445 -3.740 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.360 -2.330 -7.812 1.00 0.00 H new ATOM 844 N CYS A 56 2.149 -2.383 -9.503 1.00 0.00 N ATOM 845 CA CYS A 56 2.988 -1.449 -10.305 1.00 0.00 C ATOM 846 C CYS A 56 4.477 -1.740 -10.068 1.00 0.00 C ATOM 847 O CYS A 56 5.338 -0.995 -10.494 1.00 0.00 O ATOM 848 CB CYS A 56 2.648 0.002 -9.911 1.00 0.00 C ATOM 849 SG CYS A 56 3.632 0.536 -8.480 1.00 0.00 S ATOM 0 H CYS A 56 2.463 -2.541 -8.546 1.00 0.00 H new ATOM 0 HA CYS A 56 2.780 -1.589 -11.366 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.837 0.666 -10.755 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.586 0.080 -9.676 1.00 0.00 H new ATOM 0 HG CYS A 56 3.310 -0.177 -7.442 1.00 0.00 H new ATOM 854 N ARG A 57 4.788 -2.811 -9.392 1.00 0.00 N ATOM 855 CA ARG A 57 6.221 -3.136 -9.135 1.00 0.00 C ATOM 856 C ARG A 57 6.896 -1.956 -8.429 1.00 0.00 C ATOM 857 O ARG A 57 7.517 -1.118 -9.053 1.00 0.00 O ATOM 858 CB ARG A 57 6.931 -3.407 -10.464 1.00 0.00 C ATOM 859 CG ARG A 57 5.957 -4.079 -11.435 1.00 0.00 C ATOM 860 CD ARG A 57 5.455 -5.390 -10.830 1.00 0.00 C ATOM 861 NE ARG A 57 5.948 -6.534 -11.645 1.00 0.00 N ATOM 862 CZ ARG A 57 6.598 -7.510 -11.074 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.899 -7.464 -10.982 1.00 0.00 N ATOM 864 NH2 ARG A 57 5.946 -8.534 -10.595 1.00 0.00 N ATOM 0 H ARG A 57 4.115 -3.474 -9.007 1.00 0.00 H new ATOM 0 HA ARG A 57 6.282 -4.022 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.299 -2.473 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.798 -4.047 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.117 -3.416 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.451 -4.272 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.804 -5.485 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.365 -5.395 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 57 5.777 -6.555 -12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.409 -6.664 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.406 -8.228 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.929 -8.570 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.453 -9.298 -10.148 1.00 0.00 H new ATOM 878 N LYS A 58 6.783 -1.886 -7.131 1.00 0.00 N ATOM 879 CA LYS A 58 7.420 -0.764 -6.381 1.00 0.00 C ATOM 880 C LYS A 58 7.578 -1.170 -4.914 1.00 0.00 C ATOM 881 O LYS A 58 6.763 -1.894 -4.383 1.00 0.00 O ATOM 882 CB LYS A 58 6.539 0.482 -6.476 1.00 0.00 C ATOM 883 CG LYS A 58 7.400 1.687 -6.853 1.00 0.00 C ATOM 884 CD LYS A 58 6.846 2.336 -8.122 1.00 0.00 C ATOM 885 CE LYS A 58 6.454 3.785 -7.827 1.00 0.00 C ATOM 886 NZ LYS A 58 7.411 4.706 -8.499 1.00 0.00 N ATOM 0 H LYS A 58 6.276 -2.558 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 58 8.398 -0.544 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.758 0.332 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.040 0.661 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.409 2.410 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.432 1.374 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.593 2.305 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.979 1.779 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.440 3.977 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.457 3.962 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.144 5.691 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.372 4.528 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.387 4.543 -9.526 1.00 0.00 H new ATOM 900 N PRO A 59 8.629 -0.697 -4.303 1.00 0.00 N ATOM 901 CA PRO A 59 8.923 -1.008 -2.896 1.00 0.00 C ATOM 902 C PRO A 59 7.999 -0.221 -1.964 1.00 0.00 C ATOM 903 O PRO A 59 8.013 0.994 -1.937 1.00 0.00 O ATOM 904 CB PRO A 59 10.383 -0.577 -2.729 1.00 0.00 C ATOM 905 CG PRO A 59 10.665 0.449 -3.852 1.00 0.00 C ATOM 906 CD PRO A 59 9.613 0.197 -4.948 1.00 0.00 C ATOM 0 HA PRO A 59 8.767 -2.058 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.547 -0.133 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.053 -1.433 -2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.594 1.468 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.674 0.325 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.150 1.127 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.057 -0.268 -5.828 1.00 0.00 H new ATOM 914 N TYR A 60 7.194 -0.910 -1.202 1.00 0.00 N ATOM 915 CA TYR A 60 6.265 -0.211 -0.270 1.00 0.00 C ATOM 916 C TYR A 60 7.015 0.920 0.441 1.00 0.00 C ATOM 917 O TYR A 60 8.101 0.712 0.946 1.00 0.00 O ATOM 918 CB TYR A 60 5.748 -1.208 0.773 1.00 0.00 C ATOM 919 CG TYR A 60 4.766 -2.175 0.143 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.404 -2.047 -1.205 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.213 -3.202 0.919 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.493 -2.944 -1.774 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.303 -4.099 0.348 1.00 0.00 C ATOM 924 CZ TYR A 60 2.941 -3.970 -0.998 1.00 0.00 C ATOM 925 OH TYR A 60 2.043 -4.854 -1.559 1.00 0.00 O ATOM 0 H TYR A 60 7.140 -1.928 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 60 5.426 0.201 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.584 -1.759 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.265 -0.671 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.828 -1.256 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.489 -3.302 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.215 -2.845 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.879 -4.892 0.947 1.00 0.00 H new ATOM 0 HH TYR A 60 1.131 -4.593 -1.315 1.00 0.00 H new ATOM 935 N PRO A 61 6.416 2.087 0.466 1.00 0.00 N ATOM 936 CA PRO A 61 7.011 3.264 1.120 1.00 0.00 C ATOM 937 C PRO A 61 6.751 3.221 2.630 1.00 0.00 C ATOM 938 O PRO A 61 6.419 4.218 3.240 1.00 0.00 O ATOM 939 CB PRO A 61 6.269 4.440 0.478 1.00 0.00 C ATOM 940 CG PRO A 61 4.928 3.874 -0.052 1.00 0.00 C ATOM 941 CD PRO A 61 5.100 2.346 -0.156 1.00 0.00 C ATOM 0 HA PRO A 61 8.092 3.325 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.095 5.233 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.855 4.873 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.109 4.126 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.685 4.303 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.302 1.819 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.077 2.012 -1.193 1.00 0.00 H new