USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 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 -123:sc= -0.292 USER MOD Set 1.2: A 33 CYS SG : rot 170:sc= 0.491 USER MOD Set 1.3: A 53 CYS SG : rot 166:sc= 0.904 USER MOD Set 1.4: A 56 CYS SG : rot -63:sc= -2.96! USER MOD Set 2.1: A 14 CYS SG : rot 161:sc= -1.34! USER MOD Set 2.2: A 17 CYS SG : rot -59:sc= 0.71 USER MOD Set 2.3: A 38 CYS SG : rot -141:sc= 0.704 USER MOD Set 2.4: A 41 CYS SG : rot 150:sc= -2.78! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot -68:sc= 1.12 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.35! K(o=-2.3!,f=-0.34) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -43:sc= 0.972 USER MOD Single : A 50 ASN : amide:sc= -0.0235 K(o=-0.024,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 31:sc= -1.65! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.310 0.326 -1.770 1.00 0.00 N ATOM 166 CA VAL A 12 -13.981 -0.211 -2.178 1.00 0.00 C ATOM 167 C VAL A 12 -13.702 -1.510 -1.419 1.00 0.00 C ATOM 168 O VAL A 12 -14.141 -1.693 -0.300 1.00 0.00 O ATOM 169 CB VAL A 12 -12.893 0.813 -1.847 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.601 0.444 -2.577 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.345 2.206 -2.293 1.00 0.00 C ATOM 0 HA VAL A 12 -13.983 -0.407 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.717 0.814 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.828 1.175 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.274 -0.546 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.779 0.440 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.569 2.934 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.524 2.203 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.264 2.474 -1.773 1.00 0.00 H new ATOM 181 N GLU A 13 -12.975 -2.416 -2.016 1.00 0.00 N ATOM 182 CA GLU A 13 -12.671 -3.700 -1.324 1.00 0.00 C ATOM 183 C GLU A 13 -11.228 -4.114 -1.622 1.00 0.00 C ATOM 184 O GLU A 13 -10.663 -3.747 -2.633 1.00 0.00 O ATOM 185 CB GLU A 13 -13.626 -4.789 -1.817 1.00 0.00 C ATOM 186 CG GLU A 13 -13.279 -5.155 -3.260 1.00 0.00 C ATOM 187 CD GLU A 13 -14.291 -6.178 -3.783 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.074 -7.359 -3.571 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.266 -5.761 -4.386 1.00 0.00 O ATOM 0 H GLU A 13 -12.579 -2.322 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.797 -3.568 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.551 -5.670 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.656 -4.439 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.291 -4.263 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.271 -5.566 -3.310 1.00 0.00 H new ATOM 196 N CYS A 14 -10.629 -4.874 -0.747 1.00 0.00 N ATOM 197 CA CYS A 14 -9.223 -5.310 -0.973 1.00 0.00 C ATOM 198 C CYS A 14 -9.165 -6.260 -2.179 1.00 0.00 C ATOM 199 O CYS A 14 -9.841 -7.267 -2.197 1.00 0.00 O ATOM 200 CB CYS A 14 -8.719 -6.044 0.274 1.00 0.00 C ATOM 201 SG CYS A 14 -6.996 -6.540 0.028 1.00 0.00 S ATOM 0 H CYS A 14 -11.054 -5.212 0.116 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.598 -4.439 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.801 -5.397 1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.337 -6.921 0.467 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.446 -6.784 1.180 1.00 0.00 H new ATOM 206 N PRO A 15 -8.357 -5.917 -3.153 1.00 0.00 N ATOM 207 CA PRO A 15 -8.190 -6.736 -4.369 1.00 0.00 C ATOM 208 C PRO A 15 -7.221 -7.894 -4.104 1.00 0.00 C ATOM 209 O PRO A 15 -7.081 -8.798 -4.905 1.00 0.00 O ATOM 210 CB PRO A 15 -7.589 -5.754 -5.378 1.00 0.00 C ATOM 211 CG PRO A 15 -6.919 -4.631 -4.548 1.00 0.00 C ATOM 212 CD PRO A 15 -7.545 -4.685 -3.142 1.00 0.00 C ATOM 0 HA PRO A 15 -9.121 -7.186 -4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.860 -6.252 -6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.361 -5.347 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.840 -4.779 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.086 -3.657 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.780 -4.720 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.158 -3.806 -2.945 1.00 0.00 H new ATOM 220 N LEU A 16 -6.540 -7.861 -2.992 1.00 0.00 N ATOM 221 CA LEU A 16 -5.563 -8.942 -2.671 1.00 0.00 C ATOM 222 C LEU A 16 -6.268 -10.118 -1.984 1.00 0.00 C ATOM 223 O LEU A 16 -5.967 -11.266 -2.243 1.00 0.00 O ATOM 224 CB LEU A 16 -4.493 -8.380 -1.730 1.00 0.00 C ATOM 225 CG LEU A 16 -3.407 -7.657 -2.534 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.448 -8.684 -3.138 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.046 -6.832 -3.657 1.00 0.00 C ATOM 0 H LEU A 16 -6.618 -7.128 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.109 -9.297 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.949 -7.691 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.048 -9.188 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.858 -6.990 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.676 -8.169 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.983 -9.262 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.000 -9.354 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.266 -6.322 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.603 -7.492 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.723 -6.094 -3.226 1.00 0.00 H new ATOM 239 N CYS A 17 -7.194 -9.847 -1.104 1.00 0.00 N ATOM 240 CA CYS A 17 -7.898 -10.962 -0.400 1.00 0.00 C ATOM 241 C CYS A 17 -9.409 -10.810 -0.578 1.00 0.00 C ATOM 242 O CYS A 17 -10.171 -11.730 -0.351 1.00 0.00 O ATOM 243 CB CYS A 17 -7.552 -10.927 1.092 1.00 0.00 C ATOM 244 SG CYS A 17 -8.354 -9.502 1.873 1.00 0.00 S ATOM 0 H CYS A 17 -7.494 -8.908 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.578 -11.914 -0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.879 -11.849 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.472 -10.865 1.223 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.947 -8.408 1.302 1.00 0.00 H new ATOM 249 N MET A 18 -9.845 -9.654 -0.982 1.00 0.00 N ATOM 250 CA MET A 18 -11.300 -9.425 -1.178 1.00 0.00 C ATOM 251 C MET A 18 -11.972 -9.218 0.180 1.00 0.00 C ATOM 252 O MET A 18 -12.198 -10.153 0.923 1.00 0.00 O ATOM 253 CB MET A 18 -11.923 -10.632 -1.882 1.00 0.00 C ATOM 254 CG MET A 18 -13.195 -10.195 -2.613 1.00 0.00 C ATOM 255 SD MET A 18 -14.479 -11.450 -2.392 1.00 0.00 S ATOM 256 CE MET A 18 -14.100 -12.424 -3.870 1.00 0.00 C ATOM 0 H MET A 18 -9.251 -8.851 -1.187 1.00 0.00 H new ATOM 0 HA MET A 18 -11.446 -8.537 -1.793 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.213 -11.060 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.157 -11.410 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.539 -9.236 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.988 -10.055 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.786 -13.269 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.210 -11.799 -4.756 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.076 -12.792 -3.810 1.00 0.00 H new ATOM 266 N GLU A 19 -12.290 -7.998 0.511 1.00 0.00 N ATOM 267 CA GLU A 19 -12.942 -7.725 1.821 1.00 0.00 C ATOM 268 C GLU A 19 -13.536 -6.313 1.802 1.00 0.00 C ATOM 269 O GLU A 19 -13.232 -5.529 0.926 1.00 0.00 O ATOM 270 CB GLU A 19 -11.897 -7.827 2.935 1.00 0.00 C ATOM 271 CG GLU A 19 -11.861 -9.258 3.473 1.00 0.00 C ATOM 272 CD GLU A 19 -12.085 -9.241 4.987 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.315 -8.589 5.673 1.00 0.00 O ATOM 274 OE2 GLU A 19 -13.025 -9.879 5.433 1.00 0.00 O ATOM 0 H GLU A 19 -12.126 -7.176 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.735 -8.452 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.915 -7.546 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.138 -7.131 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.630 -9.859 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.901 -9.720 3.242 1.00 0.00 H new ATOM 281 N PRO A 20 -14.366 -6.031 2.773 1.00 0.00 N ATOM 282 CA PRO A 20 -15.018 -4.716 2.895 1.00 0.00 C ATOM 283 C PRO A 20 -14.034 -3.686 3.452 1.00 0.00 C ATOM 284 O PRO A 20 -13.645 -3.739 4.602 1.00 0.00 O ATOM 285 CB PRO A 20 -16.161 -4.969 3.878 1.00 0.00 C ATOM 286 CG PRO A 20 -15.772 -6.230 4.685 1.00 0.00 C ATOM 287 CD PRO A 20 -14.731 -6.989 3.838 1.00 0.00 C ATOM 0 HA PRO A 20 -15.367 -4.319 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.302 -4.113 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.102 -5.121 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.358 -5.957 5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.646 -6.853 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.863 -7.273 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.147 -7.907 3.423 1.00 0.00 H new ATOM 295 N LEU A 21 -13.629 -2.752 2.640 1.00 0.00 N ATOM 296 CA LEU A 21 -12.668 -1.717 3.113 1.00 0.00 C ATOM 297 C LEU A 21 -13.405 -0.694 3.978 1.00 0.00 C ATOM 298 O LEU A 21 -14.577 -0.839 4.267 1.00 0.00 O ATOM 299 CB LEU A 21 -12.045 -1.011 1.908 1.00 0.00 C ATOM 300 CG LEU A 21 -10.877 -1.842 1.377 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.556 -1.417 -0.057 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.650 -1.615 2.262 1.00 0.00 C ATOM 0 H LEU A 21 -13.922 -2.660 1.667 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.883 -2.192 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.793 -0.874 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.698 -0.018 2.194 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.147 -2.898 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.723 -2.010 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.430 -1.576 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.286 -0.361 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.815 -2.207 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.382 -0.559 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.878 -1.918 3.284 1.00 0.00 H new ATOM 314 N GLU A 22 -12.728 0.340 4.394 1.00 0.00 N ATOM 315 CA GLU A 22 -13.388 1.372 5.241 1.00 0.00 C ATOM 316 C GLU A 22 -12.754 2.737 4.963 1.00 0.00 C ATOM 317 O GLU A 22 -11.784 2.844 4.239 1.00 0.00 O ATOM 318 CB GLU A 22 -13.204 1.012 6.717 1.00 0.00 C ATOM 319 CG GLU A 22 -14.566 0.993 7.413 1.00 0.00 C ATOM 320 CD GLU A 22 -14.854 2.373 8.005 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.071 2.819 8.828 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.855 2.961 7.627 1.00 0.00 O ATOM 0 H GLU A 22 -11.745 0.515 4.184 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.452 1.412 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.724 0.037 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.548 1.736 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.346 0.720 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.574 0.239 8.200 1.00 0.00 H new ATOM 329 N ILE A 23 -13.294 3.780 5.532 1.00 0.00 N ATOM 330 CA ILE A 23 -12.722 5.137 5.300 1.00 0.00 C ATOM 331 C ILE A 23 -11.248 5.146 5.712 1.00 0.00 C ATOM 332 O ILE A 23 -10.393 5.615 4.986 1.00 0.00 O ATOM 333 CB ILE A 23 -13.499 6.162 6.134 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.849 6.436 5.469 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.706 7.467 6.226 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.623 7.114 4.115 1.00 0.00 C ATOM 0 H ILE A 23 -14.107 3.751 6.148 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.801 5.394 4.244 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.655 5.765 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.396 5.503 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.459 7.073 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.264 8.191 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.743 7.275 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.545 7.866 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.585 7.309 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.094 8.055 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.029 6.461 3.476 1.00 0.00 H new ATOM 348 N ASP A 24 -10.945 4.638 6.873 1.00 0.00 N ATOM 349 CA ASP A 24 -9.528 4.623 7.335 1.00 0.00 C ATOM 350 C ASP A 24 -8.732 3.585 6.537 1.00 0.00 C ATOM 351 O ASP A 24 -7.617 3.831 6.125 1.00 0.00 O ATOM 352 CB ASP A 24 -9.482 4.265 8.822 1.00 0.00 C ATOM 353 CG ASP A 24 -8.838 5.411 9.603 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.982 6.545 9.178 1.00 0.00 O ATOM 355 OD2 ASP A 24 -8.212 5.135 10.613 1.00 0.00 O ATOM 0 H ASP A 24 -11.618 4.232 7.523 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.089 5.609 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.490 4.079 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.914 3.347 8.968 1.00 0.00 H new ATOM 360 N ASP A 25 -9.292 2.426 6.323 1.00 0.00 N ATOM 361 CA ASP A 25 -8.559 1.376 5.559 1.00 0.00 C ATOM 362 C ASP A 25 -8.448 1.788 4.089 1.00 0.00 C ATOM 363 O ASP A 25 -7.750 1.167 3.312 1.00 0.00 O ATOM 364 CB ASP A 25 -9.315 0.050 5.660 1.00 0.00 C ATOM 365 CG ASP A 25 -9.389 -0.384 7.125 1.00 0.00 C ATOM 366 OD1 ASP A 25 -9.344 0.484 7.982 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.489 -1.576 7.366 1.00 0.00 O ATOM 0 H ASP A 25 -10.223 2.161 6.643 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.559 1.259 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.319 0.160 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.811 -0.714 5.068 1.00 0.00 H new ATOM 372 N ILE A 26 -9.129 2.831 3.697 1.00 0.00 N ATOM 373 CA ILE A 26 -9.056 3.273 2.276 1.00 0.00 C ATOM 374 C ILE A 26 -7.865 4.220 2.098 1.00 0.00 C ATOM 375 O ILE A 26 -7.474 4.539 0.993 1.00 0.00 O ATOM 376 CB ILE A 26 -10.361 3.988 1.899 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.431 2.940 1.585 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.140 4.870 0.667 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.820 3.558 1.753 1.00 0.00 C ATOM 0 H ILE A 26 -9.731 3.394 4.298 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.922 2.408 1.626 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.683 4.614 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.306 2.572 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.321 2.083 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.072 5.373 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.374 5.615 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.816 4.251 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.581 2.810 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.943 3.904 2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.928 4.401 1.071 1.00 0.00 H new ATOM 391 N ASN A 27 -7.283 4.670 3.175 1.00 0.00 N ATOM 392 CA ASN A 27 -6.118 5.591 3.057 1.00 0.00 C ATOM 393 C ASN A 27 -4.853 4.870 3.527 1.00 0.00 C ATOM 394 O ASN A 27 -3.836 5.482 3.785 1.00 0.00 O ATOM 395 CB ASN A 27 -6.356 6.830 3.921 1.00 0.00 C ATOM 396 CG ASN A 27 -7.495 7.656 3.324 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.550 7.132 3.025 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.325 8.936 3.132 1.00 0.00 N ATOM 0 H ASN A 27 -7.563 4.441 4.129 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.997 5.896 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.603 6.534 4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.447 7.429 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.077 9.496 2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.440 9.376 3.383 1.00 0.00 H new ATOM 405 N PHE A 28 -4.910 3.570 3.632 1.00 0.00 N ATOM 406 CA PHE A 28 -3.713 2.803 4.079 1.00 0.00 C ATOM 407 C PHE A 28 -3.220 1.926 2.926 1.00 0.00 C ATOM 408 O PHE A 28 -3.794 0.899 2.626 1.00 0.00 O ATOM 409 CB PHE A 28 -4.090 1.920 5.272 1.00 0.00 C ATOM 410 CG PHE A 28 -2.976 0.937 5.544 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.875 1.324 6.317 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.043 -0.361 5.024 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.841 0.415 6.570 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.009 -1.271 5.276 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.909 -0.883 6.049 1.00 0.00 C ATOM 0 H PHE A 28 -5.735 3.006 3.427 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.923 3.493 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.268 2.537 6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.017 1.386 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.823 2.325 6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.893 -0.661 4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.008 0.714 7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.060 -2.272 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.112 -1.585 6.244 1.00 0.00 H new ATOM 425 N PHE A 29 -2.163 2.326 2.274 1.00 0.00 N ATOM 426 CA PHE A 29 -1.640 1.515 1.136 1.00 0.00 C ATOM 427 C PHE A 29 -0.211 1.065 1.432 1.00 0.00 C ATOM 428 O PHE A 29 0.558 1.799 2.020 1.00 0.00 O ATOM 429 CB PHE A 29 -1.622 2.359 -0.144 1.00 0.00 C ATOM 430 CG PHE A 29 -1.485 3.819 0.209 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.220 4.366 0.471 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.627 4.623 0.280 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.105 5.723 0.802 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.512 5.976 0.611 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.250 6.526 0.872 1.00 0.00 C ATOM 0 H PHE A 29 -1.639 3.177 2.479 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.287 0.648 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.794 2.050 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.539 2.197 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.661 3.744 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.599 4.198 0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.867 6.149 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.394 6.596 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.160 7.571 1.128 1.00 0.00 H new ATOM 445 N PRO A 30 0.114 -0.119 0.984 1.00 0.00 N ATOM 446 CA PRO A 30 1.457 -0.677 1.156 1.00 0.00 C ATOM 447 C PRO A 30 2.382 -0.040 0.120 1.00 0.00 C ATOM 448 O PRO A 30 3.584 -0.023 0.267 1.00 0.00 O ATOM 449 CB PRO A 30 1.269 -2.173 0.889 1.00 0.00 C ATOM 450 CG PRO A 30 -0.018 -2.302 0.041 1.00 0.00 C ATOM 451 CD PRO A 30 -0.825 -1.008 0.269 1.00 0.00 C ATOM 0 HA PRO A 30 1.896 -0.496 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.128 -2.585 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.177 -2.727 1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.224 -2.427 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.595 -3.177 0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.149 -0.569 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.722 -1.196 0.858 1.00 0.00 H new ATOM 459 N CYS A 31 1.812 0.495 -0.928 1.00 0.00 N ATOM 460 CA CYS A 31 2.634 1.145 -1.986 1.00 0.00 C ATOM 461 C CYS A 31 2.173 2.597 -2.167 1.00 0.00 C ATOM 462 O CYS A 31 1.030 2.927 -1.924 1.00 0.00 O ATOM 463 CB CYS A 31 2.458 0.385 -3.299 1.00 0.00 C ATOM 464 SG CYS A 31 3.296 1.280 -4.624 1.00 0.00 S ATOM 0 H CYS A 31 0.806 0.509 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 31 3.685 1.132 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.868 -0.621 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.398 0.277 -3.531 1.00 0.00 H new ATOM 0 HG CYS A 31 2.448 1.543 -5.574 1.00 0.00 H new ATOM 469 N THR A 32 3.056 3.469 -2.581 1.00 0.00 N ATOM 470 CA THR A 32 2.664 4.899 -2.763 1.00 0.00 C ATOM 471 C THR A 32 2.164 5.145 -4.190 1.00 0.00 C ATOM 472 O THR A 32 2.587 6.075 -4.848 1.00 0.00 O ATOM 473 CB THR A 32 3.874 5.800 -2.498 1.00 0.00 C ATOM 474 OG1 THR A 32 3.541 7.143 -2.822 1.00 0.00 O ATOM 475 CG2 THR A 32 5.051 5.344 -3.361 1.00 0.00 C ATOM 0 H THR A 32 4.029 3.254 -2.800 1.00 0.00 H new ATOM 0 HA THR A 32 1.863 5.129 -2.061 1.00 0.00 H new ATOM 0 HB THR A 32 4.151 5.736 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.410 7.223 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.911 5.986 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.306 4.313 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.776 5.407 -4.414 1.00 0.00 H new ATOM 483 N CYS A 33 1.260 4.338 -4.674 1.00 0.00 N ATOM 484 CA CYS A 33 0.742 4.561 -6.054 1.00 0.00 C ATOM 485 C CYS A 33 -0.785 4.679 -6.016 1.00 0.00 C ATOM 486 O CYS A 33 -1.386 5.301 -6.869 1.00 0.00 O ATOM 487 CB CYS A 33 1.163 3.407 -6.968 1.00 0.00 C ATOM 488 SG CYS A 33 0.222 1.916 -6.562 1.00 0.00 S ATOM 0 H CYS A 33 0.860 3.541 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 33 1.161 5.486 -6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.996 3.679 -8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.230 3.215 -6.856 1.00 0.00 H new ATOM 0 HG CYS A 33 0.429 1.011 -7.472 1.00 0.00 H new ATOM 493 N GLY A 34 -1.420 4.104 -5.027 1.00 0.00 N ATOM 494 CA GLY A 34 -2.906 4.211 -4.939 1.00 0.00 C ATOM 495 C GLY A 34 -3.540 2.820 -4.850 1.00 0.00 C ATOM 496 O GLY A 34 -4.745 2.686 -4.778 1.00 0.00 O ATOM 0 H GLY A 34 -0.976 3.568 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.183 4.800 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.291 4.737 -5.813 1.00 0.00 H new ATOM 500 N TYR A 35 -2.747 1.785 -4.853 1.00 0.00 N ATOM 501 CA TYR A 35 -3.322 0.412 -4.765 1.00 0.00 C ATOM 502 C TYR A 35 -3.458 0.022 -3.291 1.00 0.00 C ATOM 503 O TYR A 35 -3.066 -1.053 -2.884 1.00 0.00 O ATOM 504 CB TYR A 35 -2.389 -0.577 -5.471 1.00 0.00 C ATOM 505 CG TYR A 35 -3.196 -1.715 -6.054 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.126 -1.464 -7.070 1.00 0.00 C ATOM 507 CD2 TYR A 35 -3.009 -3.022 -5.584 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.869 -2.517 -7.618 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.754 -4.075 -6.131 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.682 -3.823 -7.147 1.00 0.00 C ATOM 511 OH TYR A 35 -5.412 -4.863 -7.686 1.00 0.00 O ATOM 0 H TYR A 35 -1.730 1.829 -4.912 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.301 0.390 -5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.836 -0.069 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.654 -0.964 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.271 -0.457 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.291 -3.217 -4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.585 -2.322 -8.403 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.612 -5.082 -5.768 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.159 -5.702 -7.247 1.00 0.00 H new ATOM 521 N GLN A 36 -4.003 0.895 -2.486 1.00 0.00 N ATOM 522 CA GLN A 36 -4.150 0.580 -1.038 1.00 0.00 C ATOM 523 C GLN A 36 -5.004 -0.678 -0.860 1.00 0.00 C ATOM 524 O GLN A 36 -6.022 -0.850 -1.500 1.00 0.00 O ATOM 525 CB GLN A 36 -4.780 1.781 -0.308 1.00 0.00 C ATOM 526 CG GLN A 36 -6.311 1.695 -0.315 1.00 0.00 C ATOM 527 CD GLN A 36 -6.839 1.923 -1.731 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.087 0.983 -2.460 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.026 3.143 -2.154 1.00 0.00 N ATOM 0 H GLN A 36 -4.352 1.811 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.168 0.388 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.420 1.814 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.463 2.708 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.631 0.718 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.729 2.440 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.818 3.932 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.380 3.307 -3.096 1.00 0.00 H new ATOM 538 N ILE A 37 -4.590 -1.558 0.008 1.00 0.00 N ATOM 539 CA ILE A 37 -5.365 -2.808 0.234 1.00 0.00 C ATOM 540 C ILE A 37 -5.780 -2.883 1.705 1.00 0.00 C ATOM 541 O ILE A 37 -5.771 -1.895 2.413 1.00 0.00 O ATOM 542 CB ILE A 37 -4.484 -4.010 -0.111 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.197 -3.944 0.715 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.132 -3.974 -1.600 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.584 -5.341 0.816 1.00 0.00 C ATOM 0 H ILE A 37 -3.745 -1.464 0.572 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.255 -2.814 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.019 -4.932 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.489 -3.257 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.411 -3.556 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.504 -4.830 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.047 -4.013 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.594 -3.053 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.667 -5.295 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.292 -6.015 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.355 -5.711 -0.183 1.00 0.00 H new ATOM 557 N CYS A 38 -6.136 -4.046 2.175 1.00 0.00 N ATOM 558 CA CYS A 38 -6.540 -4.179 3.600 1.00 0.00 C ATOM 559 C CYS A 38 -5.274 -4.265 4.463 1.00 0.00 C ATOM 560 O CYS A 38 -4.193 -4.507 3.965 1.00 0.00 O ATOM 561 CB CYS A 38 -7.414 -5.432 3.772 1.00 0.00 C ATOM 562 SG CYS A 38 -6.383 -6.921 3.822 1.00 0.00 S ATOM 0 H CYS A 38 -6.164 -4.910 1.633 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.124 -3.314 3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.996 -5.354 4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.126 -5.502 2.949 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.975 -7.881 3.175 1.00 0.00 H new ATOM 567 N ARG A 39 -5.391 -4.044 5.742 1.00 0.00 N ATOM 568 CA ARG A 39 -4.182 -4.086 6.615 1.00 0.00 C ATOM 569 C ARG A 39 -3.771 -5.535 6.899 1.00 0.00 C ATOM 570 O ARG A 39 -2.738 -5.785 7.488 1.00 0.00 O ATOM 571 CB ARG A 39 -4.482 -3.369 7.931 1.00 0.00 C ATOM 572 CG ARG A 39 -3.855 -1.974 7.899 1.00 0.00 C ATOM 573 CD ARG A 39 -4.247 -1.207 9.161 1.00 0.00 C ATOM 574 NE ARG A 39 -5.298 -0.204 8.827 1.00 0.00 N ATOM 575 CZ ARG A 39 -6.451 -0.238 9.438 1.00 0.00 C ATOM 576 NH1 ARG A 39 -7.021 -1.385 9.696 1.00 0.00 N ATOM 577 NH2 ARG A 39 -7.035 0.873 9.792 1.00 0.00 N ATOM 0 H ARG A 39 -6.267 -3.837 6.221 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.360 -3.587 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.559 -3.293 8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.084 -3.941 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.770 -2.053 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.191 -1.434 7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.616 -1.898 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.374 -0.708 9.582 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.116 0.509 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.565 -2.255 9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.922 -1.411 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.591 1.769 9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.936 0.846 10.269 1.00 0.00 H new ATOM 591 N PHE A 40 -4.558 -6.490 6.491 1.00 0.00 N ATOM 592 CA PHE A 40 -4.184 -7.911 6.750 1.00 0.00 C ATOM 593 C PHE A 40 -3.430 -8.475 5.541 1.00 0.00 C ATOM 594 O PHE A 40 -2.815 -9.520 5.617 1.00 0.00 O ATOM 595 CB PHE A 40 -5.443 -8.742 7.007 1.00 0.00 C ATOM 596 CG PHE A 40 -5.254 -9.549 8.269 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.064 -10.257 8.475 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.267 -9.587 9.234 1.00 0.00 C ATOM 599 CE1 PHE A 40 -3.885 -11.003 9.647 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.089 -10.334 10.406 1.00 0.00 C ATOM 601 CZ PHE A 40 -4.899 -11.041 10.612 1.00 0.00 C ATOM 0 H PHE A 40 -5.438 -6.352 5.993 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.541 -7.957 7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.311 -8.089 7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.635 -9.404 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.283 -10.228 7.729 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.185 -9.041 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.966 -11.548 9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.871 -10.364 11.151 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.763 -11.616 11.516 1.00 0.00 H new ATOM 611 N CYS A 41 -3.463 -7.789 4.431 1.00 0.00 N ATOM 612 CA CYS A 41 -2.735 -8.286 3.227 1.00 0.00 C ATOM 613 C CYS A 41 -1.313 -7.719 3.233 1.00 0.00 C ATOM 614 O CYS A 41 -0.425 -8.233 2.584 1.00 0.00 O ATOM 615 CB CYS A 41 -3.462 -7.836 1.956 1.00 0.00 C ATOM 616 SG CYS A 41 -4.659 -9.102 1.461 1.00 0.00 S ATOM 0 H CYS A 41 -3.961 -6.908 4.305 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.698 -9.375 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.971 -6.889 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.743 -7.667 1.154 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.660 -8.539 0.851 1.00 0.00 H new ATOM 621 N TRP A 42 -1.094 -6.662 3.969 1.00 0.00 N ATOM 622 CA TRP A 42 0.267 -6.059 4.027 1.00 0.00 C ATOM 623 C TRP A 42 1.083 -6.754 5.120 1.00 0.00 C ATOM 624 O TRP A 42 2.283 -6.904 5.012 1.00 0.00 O ATOM 625 CB TRP A 42 0.146 -4.563 4.343 1.00 0.00 C ATOM 626 CG TRP A 42 1.485 -4.019 4.733 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.542 -3.880 3.899 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.927 -3.541 6.037 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.603 -3.349 4.609 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.274 -3.122 5.930 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.296 -3.430 7.289 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.971 -2.614 7.028 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.994 -2.919 8.395 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.329 -2.513 8.265 1.00 0.00 C ATOM 0 H TRP A 42 -1.801 -6.190 4.533 1.00 0.00 H new ATOM 0 HA TRP A 42 0.768 -6.186 3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.235 -4.028 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.569 -4.409 5.151 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.555 -4.141 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.518 -3.149 4.205 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.267 -3.740 7.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.999 -2.301 6.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.499 -2.838 9.352 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.861 -2.123 9.120 1.00 0.00 H new ATOM 645 N HIS A 43 0.438 -7.181 6.171 1.00 0.00 N ATOM 646 CA HIS A 43 1.175 -7.865 7.269 1.00 0.00 C ATOM 647 C HIS A 43 1.634 -9.247 6.793 1.00 0.00 C ATOM 648 O HIS A 43 2.340 -9.950 7.490 1.00 0.00 O ATOM 649 CB HIS A 43 0.253 -8.023 8.481 1.00 0.00 C ATOM 650 CG HIS A 43 0.666 -7.055 9.555 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.613 -7.375 10.516 1.00 0.00 N ATOM 652 CD2 HIS A 43 0.272 -5.768 9.831 1.00 0.00 C ATOM 653 CE1 HIS A 43 1.755 -6.303 11.317 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.961 -5.296 10.943 1.00 0.00 N ATOM 0 H HIS A 43 -0.567 -7.085 6.316 1.00 0.00 H new ATOM 0 HA HIS A 43 2.044 -7.270 7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.782 -7.841 8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.303 -9.044 8.858 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.461 -5.208 9.270 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.429 -6.262 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.878 -4.378 11.379 1.00 0.00 H new ATOM 662 N ARG A 44 1.240 -9.643 5.613 1.00 0.00 N ATOM 663 CA ARG A 44 1.654 -10.979 5.098 1.00 0.00 C ATOM 664 C ARG A 44 2.533 -10.802 3.858 1.00 0.00 C ATOM 665 O ARG A 44 3.445 -11.566 3.616 1.00 0.00 O ATOM 666 CB ARG A 44 0.412 -11.791 4.726 1.00 0.00 C ATOM 667 CG ARG A 44 -0.383 -12.120 5.991 1.00 0.00 C ATOM 668 CD ARG A 44 -0.526 -13.638 6.123 1.00 0.00 C ATOM 669 NE ARG A 44 -1.852 -14.064 5.592 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.958 -15.173 4.911 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.089 -15.450 3.977 1.00 0.00 N ATOM 672 NH2 ARG A 44 -2.929 -16.006 5.164 1.00 0.00 N ATOM 0 H ARG A 44 0.650 -9.099 4.984 1.00 0.00 H new ATOM 0 HA ARG A 44 2.216 -11.504 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.209 -11.227 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.704 -12.710 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.123 -11.714 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.367 -11.654 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.274 -14.138 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.430 -13.933 7.168 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.677 -13.489 5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.328 -14.800 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.171 -16.316 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.607 -15.792 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.010 -16.872 4.631 1.00 0.00 H new ATOM 686 N ILE A 45 2.262 -9.800 3.065 1.00 0.00 N ATOM 687 CA ILE A 45 3.078 -9.579 1.839 1.00 0.00 C ATOM 688 C ILE A 45 4.475 -9.090 2.231 1.00 0.00 C ATOM 689 O ILE A 45 5.430 -9.258 1.498 1.00 0.00 O ATOM 690 CB ILE A 45 2.397 -8.527 0.960 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.151 -9.136 0.313 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.365 -8.067 -0.132 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.494 -8.101 -0.603 1.00 0.00 C ATOM 0 H ILE A 45 1.511 -9.126 3.214 1.00 0.00 H new ATOM 0 HA ILE A 45 3.166 -10.515 1.288 1.00 0.00 H new ATOM 0 HB ILE A 45 2.110 -7.672 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.422 -10.023 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.448 -9.455 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.879 -7.318 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.254 -7.635 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.653 -8.920 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.394 -8.534 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.209 -7.226 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.198 -7.804 -1.380 1.00 0.00 H new ATOM 705 N ARG A 46 4.601 -8.482 3.377 1.00 0.00 N ATOM 706 CA ARG A 46 5.934 -7.977 3.812 1.00 0.00 C ATOM 707 C ARG A 46 6.730 -9.115 4.458 1.00 0.00 C ATOM 708 O ARG A 46 7.943 -9.151 4.390 1.00 0.00 O ATOM 709 CB ARG A 46 5.738 -6.850 4.829 1.00 0.00 C ATOM 710 CG ARG A 46 7.088 -6.203 5.145 1.00 0.00 C ATOM 711 CD ARG A 46 7.457 -5.219 4.034 1.00 0.00 C ATOM 712 NE ARG A 46 8.407 -5.869 3.088 1.00 0.00 N ATOM 713 CZ ARG A 46 9.686 -5.627 3.176 1.00 0.00 C ATOM 714 NH1 ARG A 46 10.104 -4.423 3.453 1.00 0.00 N ATOM 715 NH2 ARG A 46 10.546 -6.590 2.988 1.00 0.00 N ATOM 0 H ARG A 46 3.838 -8.312 4.032 1.00 0.00 H new ATOM 0 HA ARG A 46 6.481 -7.601 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.050 -6.104 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.290 -7.244 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.039 -5.685 6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.858 -6.969 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.560 -4.901 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.909 -4.324 4.462 1.00 0.00 H new ATOM 0 HE ARG A 46 8.057 -6.504 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.431 -3.671 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.104 -4.234 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.218 -7.532 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.546 -6.401 3.057 1.00 0.00 H new ATOM 729 N THR A 47 6.059 -10.041 5.086 1.00 0.00 N ATOM 730 CA THR A 47 6.781 -11.171 5.739 1.00 0.00 C ATOM 731 C THR A 47 6.481 -12.475 4.994 1.00 0.00 C ATOM 732 O THR A 47 6.692 -13.555 5.510 1.00 0.00 O ATOM 733 CB THR A 47 6.319 -11.296 7.193 1.00 0.00 C ATOM 734 OG1 THR A 47 7.063 -12.319 7.839 1.00 0.00 O ATOM 735 CG2 THR A 47 4.830 -11.642 7.231 1.00 0.00 C ATOM 0 H THR A 47 5.043 -10.065 5.176 1.00 0.00 H new ATOM 0 HA THR A 47 7.854 -10.979 5.711 1.00 0.00 H new ATOM 0 HB THR A 47 6.481 -10.349 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.143 -13.092 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.503 -11.731 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.261 -10.855 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.663 -12.588 6.716 1.00 0.00 H new ATOM 743 N ASP A 48 5.994 -12.388 3.787 1.00 0.00 N ATOM 744 CA ASP A 48 5.686 -13.627 3.017 1.00 0.00 C ATOM 745 C ASP A 48 6.005 -13.402 1.538 1.00 0.00 C ATOM 746 O ASP A 48 6.850 -14.064 0.968 1.00 0.00 O ATOM 747 CB ASP A 48 4.205 -13.976 3.172 1.00 0.00 C ATOM 748 CG ASP A 48 3.992 -15.458 2.855 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.179 -16.268 3.747 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.647 -15.757 1.724 1.00 0.00 O ATOM 0 H ASP A 48 5.796 -11.514 3.301 1.00 0.00 H new ATOM 0 HA ASP A 48 6.292 -14.448 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.874 -13.760 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.604 -13.360 2.503 1.00 0.00 H new ATOM 755 N GLU A 49 5.336 -12.475 0.910 1.00 0.00 N ATOM 756 CA GLU A 49 5.607 -12.211 -0.530 1.00 0.00 C ATOM 757 C GLU A 49 6.854 -11.336 -0.662 1.00 0.00 C ATOM 758 O GLU A 49 7.678 -11.274 0.231 1.00 0.00 O ATOM 759 CB GLU A 49 4.409 -11.489 -1.152 1.00 0.00 C ATOM 760 CG GLU A 49 4.229 -11.949 -2.600 1.00 0.00 C ATOM 761 CD GLU A 49 2.781 -12.396 -2.816 1.00 0.00 C ATOM 762 OE1 GLU A 49 1.963 -12.119 -1.955 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.516 -13.006 -3.839 1.00 0.00 O ATOM 0 H GLU A 49 4.615 -11.890 1.331 1.00 0.00 H new ATOM 0 HA GLU A 49 5.770 -13.156 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.507 -11.699 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.564 -10.411 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.476 -11.137 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.911 -12.770 -2.820 1.00 0.00 H new ATOM 770 N ASN A 50 7.000 -10.658 -1.766 1.00 0.00 N ATOM 771 CA ASN A 50 8.194 -9.787 -1.955 1.00 0.00 C ATOM 772 C ASN A 50 7.905 -8.395 -1.388 1.00 0.00 C ATOM 773 O ASN A 50 8.611 -7.445 -1.660 1.00 0.00 O ATOM 774 CB ASN A 50 8.513 -9.676 -3.449 1.00 0.00 C ATOM 775 CG ASN A 50 9.127 -10.989 -3.941 1.00 0.00 C ATOM 776 OD1 ASN A 50 9.455 -11.854 -3.152 1.00 0.00 O ATOM 777 ND2 ASN A 50 9.297 -11.177 -5.222 1.00 0.00 N ATOM 0 H ASN A 50 6.343 -10.669 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 50 9.047 -10.221 -1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.605 -9.455 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.204 -8.851 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.705 -12.049 -5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.022 -10.452 -5.885 1.00 0.00 H new ATOM 784 N GLY A 51 6.870 -8.267 -0.601 1.00 0.00 N ATOM 785 CA GLY A 51 6.538 -6.934 -0.020 1.00 0.00 C ATOM 786 C GLY A 51 6.512 -5.892 -1.138 1.00 0.00 C ATOM 787 O GLY A 51 6.850 -4.739 -0.939 1.00 0.00 O ATOM 0 H GLY A 51 6.242 -9.026 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.570 -6.973 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.276 -6.658 0.734 1.00 0.00 H new ATOM 791 N LEU A 52 6.118 -6.289 -2.315 1.00 0.00 N ATOM 792 CA LEU A 52 6.078 -5.326 -3.448 1.00 0.00 C ATOM 793 C LEU A 52 4.628 -4.985 -3.797 1.00 0.00 C ATOM 794 O LEU A 52 3.694 -5.525 -3.237 1.00 0.00 O ATOM 795 CB LEU A 52 6.761 -5.947 -4.668 1.00 0.00 C ATOM 796 CG LEU A 52 8.263 -6.081 -4.408 1.00 0.00 C ATOM 797 CD1 LEU A 52 8.981 -6.387 -5.724 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.804 -4.771 -3.830 1.00 0.00 C ATOM 0 H LEU A 52 5.822 -7.239 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 52 6.599 -4.414 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.330 -6.926 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.589 -5.327 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 52 8.436 -6.890 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.051 -6.483 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.599 -7.320 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.805 -5.577 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.874 -4.869 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.631 -3.961 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.293 -4.548 -2.893 1.00 0.00 H new ATOM 810 N CYS A 53 4.444 -4.086 -4.721 1.00 0.00 N ATOM 811 CA CYS A 53 3.067 -3.683 -5.128 1.00 0.00 C ATOM 812 C CYS A 53 2.596 -4.573 -6.288 1.00 0.00 C ATOM 813 O CYS A 53 3.246 -4.639 -7.311 1.00 0.00 O ATOM 814 CB CYS A 53 3.096 -2.224 -5.588 1.00 0.00 C ATOM 815 SG CYS A 53 1.416 -1.651 -5.936 1.00 0.00 S ATOM 0 H CYS A 53 5.195 -3.607 -5.218 1.00 0.00 H new ATOM 0 HA CYS A 53 2.384 -3.795 -4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.549 -1.600 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.714 -2.128 -6.481 1.00 0.00 H new ATOM 0 HG CYS A 53 1.410 -0.354 -6.025 1.00 0.00 H new ATOM 820 N PRO A 54 1.479 -5.230 -6.097 1.00 0.00 N ATOM 821 CA PRO A 54 0.902 -6.120 -7.119 1.00 0.00 C ATOM 822 C PRO A 54 0.165 -5.309 -8.190 1.00 0.00 C ATOM 823 O PRO A 54 -0.489 -5.857 -9.054 1.00 0.00 O ATOM 824 CB PRO A 54 -0.080 -6.986 -6.328 1.00 0.00 C ATOM 825 CG PRO A 54 -0.433 -6.187 -5.049 1.00 0.00 C ATOM 826 CD PRO A 54 0.689 -5.153 -4.851 1.00 0.00 C ATOM 0 HA PRO A 54 1.656 -6.705 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.974 -7.195 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.367 -7.948 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.399 -5.694 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.506 -6.849 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.285 -4.152 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.298 -5.389 -3.978 1.00 0.00 H new ATOM 834 N ALA A 55 0.259 -4.007 -8.138 1.00 0.00 N ATOM 835 CA ALA A 55 -0.448 -3.173 -9.152 1.00 0.00 C ATOM 836 C ALA A 55 0.564 -2.353 -9.955 1.00 0.00 C ATOM 837 O ALA A 55 0.352 -2.055 -11.114 1.00 0.00 O ATOM 838 CB ALA A 55 -1.420 -2.227 -8.444 1.00 0.00 C ATOM 0 H ALA A 55 0.792 -3.487 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.997 -3.826 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.938 -1.617 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.149 -2.809 -7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.867 -1.580 -7.763 1.00 0.00 H new ATOM 844 N CYS A 56 1.660 -1.978 -9.354 1.00 0.00 N ATOM 845 CA CYS A 56 2.669 -1.171 -10.099 1.00 0.00 C ATOM 846 C CYS A 56 4.081 -1.702 -9.808 1.00 0.00 C ATOM 847 O CYS A 56 5.068 -1.036 -10.050 1.00 0.00 O ATOM 848 CB CYS A 56 2.541 0.305 -9.680 1.00 0.00 C ATOM 849 SG CYS A 56 3.491 0.632 -8.170 1.00 0.00 S ATOM 0 H CYS A 56 1.900 -2.193 -8.386 1.00 0.00 H new ATOM 0 HA CYS A 56 2.491 -1.251 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.897 0.948 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.492 0.551 -9.515 1.00 0.00 H new ATOM 0 HG CYS A 56 2.999 -0.064 -7.188 1.00 0.00 H new ATOM 854 N ARG A 57 4.178 -2.897 -9.291 1.00 0.00 N ATOM 855 CA ARG A 57 5.516 -3.480 -8.981 1.00 0.00 C ATOM 856 C ARG A 57 6.417 -2.419 -8.338 1.00 0.00 C ATOM 857 O ARG A 57 7.306 -1.878 -8.964 1.00 0.00 O ATOM 858 CB ARG A 57 6.168 -3.991 -10.267 1.00 0.00 C ATOM 859 CG ARG A 57 6.740 -5.391 -10.024 1.00 0.00 C ATOM 860 CD ARG A 57 6.455 -6.282 -11.233 1.00 0.00 C ATOM 861 NE ARG A 57 7.426 -5.970 -12.319 1.00 0.00 N ATOM 862 CZ ARG A 57 8.394 -6.804 -12.589 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.629 -6.477 -12.324 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.124 -7.963 -13.124 1.00 0.00 N ATOM 0 H ARG A 57 3.384 -3.498 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 57 5.386 -4.309 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.435 -4.020 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.960 -3.312 -10.581 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.814 -5.330 -9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.296 -5.825 -9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.533 -7.332 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.436 -6.121 -11.584 1.00 0.00 H new ATOM 0 HE ARG A 57 7.335 -5.105 -12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.838 -5.570 -11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.385 -7.128 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.158 -8.217 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.879 -8.615 -13.335 1.00 0.00 H new ATOM 878 N LYS A 58 6.197 -2.133 -7.085 1.00 0.00 N ATOM 879 CA LYS A 58 7.037 -1.124 -6.378 1.00 0.00 C ATOM 880 C LYS A 58 7.176 -1.544 -4.913 1.00 0.00 C ATOM 881 O LYS A 58 6.267 -2.113 -4.346 1.00 0.00 O ATOM 882 CB LYS A 58 6.369 0.250 -6.455 1.00 0.00 C ATOM 883 CG LYS A 58 6.875 0.991 -7.693 1.00 0.00 C ATOM 884 CD LYS A 58 7.776 2.151 -7.261 1.00 0.00 C ATOM 885 CE LYS A 58 6.975 3.454 -7.275 1.00 0.00 C ATOM 886 NZ LYS A 58 7.309 4.228 -8.503 1.00 0.00 N ATOM 0 H LYS A 58 5.465 -2.558 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 58 8.020 -1.067 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.286 0.138 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.591 0.826 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.428 0.308 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.033 1.367 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.171 1.966 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.631 2.230 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.907 3.237 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.203 4.044 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.765 5.114 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.326 4.446 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.070 3.665 -9.344 1.00 0.00 H new ATOM 900 N PRO A 59 8.312 -1.257 -4.341 1.00 0.00 N ATOM 901 CA PRO A 59 8.593 -1.611 -2.941 1.00 0.00 C ATOM 902 C PRO A 59 7.837 -0.681 -1.989 1.00 0.00 C ATOM 903 O PRO A 59 7.987 0.524 -2.030 1.00 0.00 O ATOM 904 CB PRO A 59 10.107 -1.427 -2.819 1.00 0.00 C ATOM 905 CG PRO A 59 10.519 -0.462 -3.956 1.00 0.00 C ATOM 906 CD PRO A 59 9.412 -0.549 -5.024 1.00 0.00 C ATOM 0 HA PRO A 59 8.275 -2.621 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.372 -1.016 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.624 -2.382 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.619 0.557 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.485 -0.745 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.102 0.441 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.750 -1.093 -5.906 1.00 0.00 H new ATOM 914 N TYR A 60 7.019 -1.237 -1.136 1.00 0.00 N ATOM 915 CA TYR A 60 6.243 -0.392 -0.184 1.00 0.00 C ATOM 916 C TYR A 60 7.151 0.695 0.409 1.00 0.00 C ATOM 917 O TYR A 60 8.235 0.403 0.874 1.00 0.00 O ATOM 918 CB TYR A 60 5.702 -1.271 0.947 1.00 0.00 C ATOM 919 CG TYR A 60 4.833 -2.372 0.376 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.340 -2.277 -0.933 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.522 -3.489 1.161 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.537 -3.300 -1.454 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.719 -4.510 0.639 1.00 0.00 C ATOM 924 CZ TYR A 60 3.227 -4.415 -0.669 1.00 0.00 C ATOM 925 OH TYR A 60 2.435 -5.422 -1.182 1.00 0.00 O ATOM 0 H TYR A 60 6.855 -2.241 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 60 5.416 0.080 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.529 -1.704 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.124 -0.665 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.579 -1.416 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.902 -3.563 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.157 -3.227 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.479 -5.371 1.245 1.00 0.00 H new ATOM 0 HH TYR A 60 2.569 -5.482 -2.151 1.00 0.00 H new ATOM 935 N PRO A 61 6.680 1.920 0.377 1.00 0.00 N ATOM 936 CA PRO A 61 7.430 3.069 0.910 1.00 0.00 C ATOM 937 C PRO A 61 7.277 3.145 2.431 1.00 0.00 C ATOM 938 O PRO A 61 6.344 3.732 2.943 1.00 0.00 O ATOM 939 CB PRO A 61 6.766 4.273 0.236 1.00 0.00 C ATOM 940 CG PRO A 61 5.349 3.815 -0.182 1.00 0.00 C ATOM 941 CD PRO A 61 5.363 2.276 -0.196 1.00 0.00 C ATOM 0 HA PRO A 61 8.501 3.012 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.714 5.121 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.341 4.598 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.601 4.188 0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.090 4.208 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.546 1.865 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.250 1.886 -1.207 1.00 0.00 H new