USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=14 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 176:sc= -0.138 USER MOD Set 1.2: A 33 CYS SG : rot 140:sc= 0.204 USER MOD Set 1.3: A 53 CYS SG : rot -173:sc= -0.468 USER MOD Set 1.4: A 56 CYS SG : rot 180:sc= -4.14! USER MOD Set 2.1: A 14 CYS SG : rot 179:sc= -1.3! USER MOD Set 2.2: A 17 CYS SG : rot -59:sc= 0.554 USER MOD Set 2.3: A 38 CYS SG : rot -137:sc= -0.151 USER MOD Set 2.4: A 41 CYS SG : rot 93:sc= -4.07! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0915 X(o=-0.091,f=-0.091) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.49 F(o=-2.3!,f=-1.5) USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.0926 F(o=-1.5,f=-0.093) USER MOD Single : A 47 THR OG1 : rot 131:sc= 0.376 USER MOD Single : A 50 ASN : amide:sc= -3.33 K(o=-3.3,f=-6.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 61:sc= 0.0168 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.238 0.774 -1.627 1.00 0.00 N ATOM 166 CA VAL A 12 -13.809 0.361 -1.700 1.00 0.00 C ATOM 167 C VAL A 12 -13.625 -0.971 -0.971 1.00 0.00 C ATOM 168 O VAL A 12 -14.095 -1.155 0.135 1.00 0.00 O ATOM 169 CB VAL A 12 -12.934 1.430 -1.042 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.485 1.255 -1.498 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.432 2.817 -1.451 1.00 0.00 C ATOM 0 HA VAL A 12 -13.517 0.246 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.989 1.328 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.862 2.016 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.129 0.266 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.430 1.357 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.810 3.580 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.377 2.918 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.465 2.943 -1.127 1.00 0.00 H new ATOM 181 N GLU A 13 -12.945 -1.901 -1.581 1.00 0.00 N ATOM 182 CA GLU A 13 -12.731 -3.221 -0.926 1.00 0.00 C ATOM 183 C GLU A 13 -11.389 -3.801 -1.376 1.00 0.00 C ATOM 184 O GLU A 13 -11.087 -3.850 -2.552 1.00 0.00 O ATOM 185 CB GLU A 13 -13.858 -4.177 -1.324 1.00 0.00 C ATOM 186 CG GLU A 13 -14.222 -3.950 -2.792 1.00 0.00 C ATOM 187 CD GLU A 13 -15.097 -5.104 -3.286 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.774 -5.701 -2.465 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.075 -5.369 -4.475 1.00 0.00 O ATOM 0 H GLU A 13 -12.528 -1.804 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.728 -3.093 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.545 -5.210 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.730 -4.012 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.752 -3.004 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.317 -3.882 -3.396 1.00 0.00 H new ATOM 196 N CYS A 14 -10.581 -4.242 -0.451 1.00 0.00 N ATOM 197 CA CYS A 14 -9.261 -4.818 -0.831 1.00 0.00 C ATOM 198 C CYS A 14 -9.452 -5.824 -1.972 1.00 0.00 C ATOM 199 O CYS A 14 -10.101 -6.834 -1.792 1.00 0.00 O ATOM 200 CB CYS A 14 -8.652 -5.542 0.376 1.00 0.00 C ATOM 201 SG CYS A 14 -7.195 -6.479 -0.156 1.00 0.00 S ATOM 0 H CYS A 14 -10.778 -4.228 0.550 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.597 -4.016 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.373 -4.821 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.387 -6.213 0.820 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.667 -7.079 0.869 1.00 0.00 H new ATOM 206 N PRO A 15 -8.876 -5.529 -3.111 1.00 0.00 N ATOM 207 CA PRO A 15 -8.961 -6.409 -4.289 1.00 0.00 C ATOM 208 C PRO A 15 -7.944 -7.550 -4.162 1.00 0.00 C ATOM 209 O PRO A 15 -8.001 -8.533 -4.874 1.00 0.00 O ATOM 210 CB PRO A 15 -8.594 -5.487 -5.454 1.00 0.00 C ATOM 211 CG PRO A 15 -7.777 -4.320 -4.844 1.00 0.00 C ATOM 212 CD PRO A 15 -8.100 -4.294 -3.337 1.00 0.00 C ATOM 0 HA PRO A 15 -9.939 -6.873 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.009 -6.021 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.489 -5.116 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.710 -4.467 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.044 -3.373 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.191 -4.279 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.675 -3.408 -3.068 1.00 0.00 H new ATOM 220 N LEU A 16 -7.009 -7.416 -3.259 1.00 0.00 N ATOM 221 CA LEU A 16 -5.973 -8.474 -3.074 1.00 0.00 C ATOM 222 C LEU A 16 -6.611 -9.739 -2.494 1.00 0.00 C ATOM 223 O LEU A 16 -6.341 -10.840 -2.932 1.00 0.00 O ATOM 224 CB LEU A 16 -4.913 -7.963 -2.101 1.00 0.00 C ATOM 225 CG LEU A 16 -3.586 -7.778 -2.831 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.095 -9.134 -3.342 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.779 -6.821 -4.011 1.00 0.00 C ATOM 0 H LEU A 16 -6.918 -6.613 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.522 -8.709 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.233 -7.017 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.791 -8.668 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.848 -7.360 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.147 -9.005 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.956 -9.812 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.832 -9.553 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.831 -6.690 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.516 -7.235 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.128 -5.856 -3.643 1.00 0.00 H new ATOM 239 N CYS A 17 -7.453 -9.588 -1.512 1.00 0.00 N ATOM 240 CA CYS A 17 -8.111 -10.771 -0.895 1.00 0.00 C ATOM 241 C CYS A 17 -9.625 -10.581 -0.961 1.00 0.00 C ATOM 242 O CYS A 17 -10.391 -11.436 -0.563 1.00 0.00 O ATOM 243 CB CYS A 17 -7.671 -10.897 0.569 1.00 0.00 C ATOM 244 SG CYS A 17 -8.449 -9.592 1.561 1.00 0.00 S ATOM 0 H CYS A 17 -7.715 -8.689 -1.107 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.828 -11.676 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.949 -11.876 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.586 -10.822 0.640 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.109 -8.429 1.091 1.00 0.00 H new ATOM 249 N MET A 18 -10.056 -9.456 -1.457 1.00 0.00 N ATOM 250 CA MET A 18 -11.511 -9.188 -1.550 1.00 0.00 C ATOM 251 C MET A 18 -12.090 -9.037 -0.143 1.00 0.00 C ATOM 252 O MET A 18 -12.565 -9.985 0.449 1.00 0.00 O ATOM 253 CB MET A 18 -12.198 -10.349 -2.269 1.00 0.00 C ATOM 254 CG MET A 18 -13.274 -9.803 -3.209 1.00 0.00 C ATOM 255 SD MET A 18 -12.542 -9.452 -4.826 1.00 0.00 S ATOM 256 CE MET A 18 -12.698 -11.119 -5.512 1.00 0.00 C ATOM 0 H MET A 18 -9.456 -8.707 -1.804 1.00 0.00 H new ATOM 0 HA MET A 18 -11.679 -8.268 -2.110 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.465 -10.925 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.645 -11.027 -1.542 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.082 -10.527 -3.313 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.711 -8.896 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.299 -11.134 -6.526 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.140 -11.821 -4.892 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.749 -11.408 -5.531 1.00 0.00 H new ATOM 266 N GLU A 19 -12.048 -7.850 0.399 1.00 0.00 N ATOM 267 CA GLU A 19 -12.592 -7.638 1.768 1.00 0.00 C ATOM 268 C GLU A 19 -13.151 -6.218 1.882 1.00 0.00 C ATOM 269 O GLU A 19 -12.917 -5.390 1.023 1.00 0.00 O ATOM 270 CB GLU A 19 -11.472 -7.829 2.793 1.00 0.00 C ATOM 271 CG GLU A 19 -11.701 -9.129 3.565 1.00 0.00 C ATOM 272 CD GLU A 19 -10.766 -9.178 4.774 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.973 -8.262 4.922 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.858 -10.129 5.532 1.00 0.00 O ATOM 0 H GLU A 19 -11.660 -7.019 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.389 -8.357 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.506 -7.858 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.447 -6.984 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.739 -9.192 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.519 -9.986 2.917 1.00 0.00 H new ATOM 281 N PRO A 20 -13.876 -5.980 2.943 1.00 0.00 N ATOM 282 CA PRO A 20 -14.491 -4.669 3.209 1.00 0.00 C ATOM 283 C PRO A 20 -13.451 -3.682 3.744 1.00 0.00 C ATOM 284 O PRO A 20 -12.952 -3.823 4.843 1.00 0.00 O ATOM 285 CB PRO A 20 -15.548 -4.975 4.271 1.00 0.00 C ATOM 286 CG PRO A 20 -15.107 -6.291 4.957 1.00 0.00 C ATOM 287 CD PRO A 20 -14.152 -6.999 3.977 1.00 0.00 C ATOM 0 HA PRO A 20 -14.911 -4.208 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.618 -4.163 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.534 -5.084 3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.608 -6.086 5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.969 -6.919 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.237 -7.320 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.610 -7.889 3.547 1.00 0.00 H new ATOM 295 N LEU A 21 -13.125 -2.681 2.975 1.00 0.00 N ATOM 296 CA LEU A 21 -12.124 -1.681 3.432 1.00 0.00 C ATOM 297 C LEU A 21 -12.793 -0.691 4.387 1.00 0.00 C ATOM 298 O LEU A 21 -13.837 -0.143 4.098 1.00 0.00 O ATOM 299 CB LEU A 21 -11.574 -0.933 2.217 1.00 0.00 C ATOM 300 CG LEU A 21 -10.373 -1.696 1.660 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.080 -1.226 0.235 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.157 -1.432 2.545 1.00 0.00 C ATOM 0 H LEU A 21 -13.511 -2.513 2.046 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.308 -2.185 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.346 -0.838 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.279 0.078 2.500 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.593 -2.763 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.223 -1.772 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.950 -1.411 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.858 -0.159 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.297 -1.974 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.939 -0.364 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.366 -1.769 3.560 1.00 0.00 H new ATOM 314 N GLU A 22 -12.201 -0.462 5.528 1.00 0.00 N ATOM 315 CA GLU A 22 -12.805 0.489 6.504 1.00 0.00 C ATOM 316 C GLU A 22 -12.658 1.922 5.986 1.00 0.00 C ATOM 317 O GLU A 22 -12.515 2.156 4.803 1.00 0.00 O ATOM 318 CB GLU A 22 -12.094 0.360 7.852 1.00 0.00 C ATOM 319 CG GLU A 22 -12.129 -1.099 8.313 1.00 0.00 C ATOM 320 CD GLU A 22 -13.563 -1.483 8.685 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.369 -1.633 7.781 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.831 -1.619 9.868 1.00 0.00 O ATOM 0 H GLU A 22 -11.326 -0.892 5.826 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.863 0.255 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.062 0.700 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.578 0.998 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.761 -1.751 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.470 -1.236 9.171 1.00 0.00 H new ATOM 329 N ILE A 23 -12.698 2.884 6.869 1.00 0.00 N ATOM 330 CA ILE A 23 -12.567 4.303 6.434 1.00 0.00 C ATOM 331 C ILE A 23 -11.089 4.716 6.443 1.00 0.00 C ATOM 332 O ILE A 23 -10.593 5.294 5.496 1.00 0.00 O ATOM 333 CB ILE A 23 -13.358 5.199 7.393 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.853 5.075 7.088 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.925 6.658 7.219 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.145 5.649 5.701 1.00 0.00 C ATOM 0 H ILE A 23 -12.816 2.747 7.873 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.960 4.411 5.423 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.164 4.886 8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.157 4.029 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.433 5.607 7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.491 7.290 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.861 6.750 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.115 6.974 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.210 5.559 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.857 6.700 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.577 5.098 4.952 1.00 0.00 H new ATOM 348 N ASP A 24 -10.387 4.439 7.507 1.00 0.00 N ATOM 349 CA ASP A 24 -8.950 4.832 7.574 1.00 0.00 C ATOM 350 C ASP A 24 -8.093 3.830 6.796 1.00 0.00 C ATOM 351 O ASP A 24 -6.936 4.075 6.517 1.00 0.00 O ATOM 352 CB ASP A 24 -8.498 4.862 9.035 1.00 0.00 C ATOM 353 CG ASP A 24 -7.910 6.236 9.361 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.519 6.926 8.433 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.860 6.577 10.532 1.00 0.00 O ATOM 0 H ASP A 24 -10.745 3.958 8.332 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.831 5.821 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.342 4.651 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.754 4.085 9.212 1.00 0.00 H new ATOM 360 N ASP A 25 -8.646 2.702 6.448 1.00 0.00 N ATOM 361 CA ASP A 25 -7.855 1.689 5.692 1.00 0.00 C ATOM 362 C ASP A 25 -7.815 2.068 4.211 1.00 0.00 C ATOM 363 O ASP A 25 -6.939 1.650 3.477 1.00 0.00 O ATOM 364 CB ASP A 25 -8.508 0.315 5.847 1.00 0.00 C ATOM 365 CG ASP A 25 -8.477 -0.104 7.317 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.790 0.548 8.085 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.141 -1.072 7.651 1.00 0.00 O ATOM 0 H ASP A 25 -9.609 2.437 6.653 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.839 1.658 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.537 0.348 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.982 -0.420 5.238 1.00 0.00 H new ATOM 372 N ILE A 26 -8.757 2.851 3.763 1.00 0.00 N ATOM 373 CA ILE A 26 -8.775 3.250 2.328 1.00 0.00 C ATOM 374 C ILE A 26 -7.472 3.974 1.976 1.00 0.00 C ATOM 375 O ILE A 26 -6.686 3.502 1.179 1.00 0.00 O ATOM 376 CB ILE A 26 -9.961 4.182 2.077 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.262 3.381 2.166 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.839 4.804 0.685 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.445 4.342 2.293 1.00 0.00 C ATOM 0 H ILE A 26 -9.515 3.232 4.329 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.870 2.360 1.706 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.967 4.973 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.379 2.758 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.231 2.710 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.685 5.468 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.912 5.373 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.833 4.015 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.372 3.772 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.328 4.946 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.479 4.994 1.420 1.00 0.00 H new ATOM 391 N ASN A 27 -7.242 5.119 2.559 1.00 0.00 N ATOM 392 CA ASN A 27 -5.992 5.873 2.252 1.00 0.00 C ATOM 393 C ASN A 27 -4.771 5.027 2.622 1.00 0.00 C ATOM 394 O ASN A 27 -3.685 5.242 2.122 1.00 0.00 O ATOM 395 CB ASN A 27 -5.970 7.173 3.060 1.00 0.00 C ATOM 396 CG ASN A 27 -7.310 7.897 2.907 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.062 8.014 3.855 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.641 8.393 1.748 1.00 0.00 N ATOM 0 H ASN A 27 -7.864 5.565 3.233 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.964 6.101 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.781 6.956 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.158 7.813 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.531 8.879 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.010 8.295 0.952 1.00 0.00 H new ATOM 405 N PHE A 28 -4.936 4.071 3.496 1.00 0.00 N ATOM 406 CA PHE A 28 -3.776 3.222 3.894 1.00 0.00 C ATOM 407 C PHE A 28 -3.464 2.218 2.783 1.00 0.00 C ATOM 408 O PHE A 28 -4.260 1.357 2.468 1.00 0.00 O ATOM 409 CB PHE A 28 -4.102 2.463 5.182 1.00 0.00 C ATOM 410 CG PHE A 28 -2.990 1.484 5.480 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.850 1.908 6.176 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.097 0.151 5.059 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.818 1.001 6.450 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.064 -0.754 5.333 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.926 -0.330 6.029 1.00 0.00 C ATOM 0 H PHE A 28 -5.820 3.842 3.950 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.911 3.863 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.218 3.162 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.049 1.934 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.767 2.934 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.976 -0.178 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.061 1.328 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.146 -1.780 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.131 -1.030 6.241 1.00 0.00 H new ATOM 425 N PHE A 29 -2.306 2.321 2.193 1.00 0.00 N ATOM 426 CA PHE A 29 -1.929 1.372 1.107 1.00 0.00 C ATOM 427 C PHE A 29 -0.464 0.974 1.277 1.00 0.00 C ATOM 428 O PHE A 29 0.316 1.714 1.842 1.00 0.00 O ATOM 429 CB PHE A 29 -2.112 2.043 -0.258 1.00 0.00 C ATOM 430 CG PHE A 29 -1.865 3.527 -0.130 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.608 4.000 0.273 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.898 4.429 -0.404 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.390 5.379 0.399 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.681 5.805 -0.275 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.427 6.280 0.126 1.00 0.00 C ATOM 0 H PHE A 29 -1.601 3.024 2.417 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.565 0.489 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.422 1.610 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.120 1.863 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.190 3.304 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.865 4.063 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.578 5.747 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.480 6.500 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.259 7.342 0.225 1.00 0.00 H new ATOM 445 N PRO A 30 -0.130 -0.184 0.776 1.00 0.00 N ATOM 446 CA PRO A 30 1.242 -0.704 0.849 1.00 0.00 C ATOM 447 C PRO A 30 2.111 -0.004 -0.195 1.00 0.00 C ATOM 448 O PRO A 30 3.318 -0.130 -0.199 1.00 0.00 O ATOM 449 CB PRO A 30 1.080 -2.193 0.535 1.00 0.00 C ATOM 450 CG PRO A 30 -0.254 -2.334 -0.236 1.00 0.00 C ATOM 451 CD PRO A 30 -1.085 -1.078 0.090 1.00 0.00 C ATOM 0 HA PRO A 30 1.726 -0.539 1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.915 -2.557 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.064 -2.784 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.075 -2.413 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.783 -3.238 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.483 -0.618 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.936 -1.317 0.728 1.00 0.00 H new ATOM 459 N CYS A 31 1.501 0.740 -1.080 1.00 0.00 N ATOM 460 CA CYS A 31 2.285 1.454 -2.125 1.00 0.00 C ATOM 461 C CYS A 31 1.637 2.815 -2.409 1.00 0.00 C ATOM 462 O CYS A 31 0.450 2.999 -2.228 1.00 0.00 O ATOM 463 CB CYS A 31 2.305 0.617 -3.402 1.00 0.00 C ATOM 464 SG CYS A 31 3.083 1.567 -4.727 1.00 0.00 S ATOM 0 H CYS A 31 0.492 0.883 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 31 3.306 1.607 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.853 -0.310 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.289 0.341 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 31 3.172 0.831 -5.795 1.00 0.00 H new ATOM 469 N THR A 32 2.415 3.775 -2.838 1.00 0.00 N ATOM 470 CA THR A 32 1.851 5.129 -3.117 1.00 0.00 C ATOM 471 C THR A 32 1.403 5.247 -4.579 1.00 0.00 C ATOM 472 O THR A 32 1.417 6.322 -5.147 1.00 0.00 O ATOM 473 CB THR A 32 2.922 6.185 -2.837 1.00 0.00 C ATOM 474 OG1 THR A 32 4.103 5.546 -2.375 1.00 0.00 O ATOM 475 CG2 THR A 32 2.415 7.159 -1.772 1.00 0.00 C ATOM 0 H THR A 32 3.416 3.680 -3.007 1.00 0.00 H new ATOM 0 HA THR A 32 0.985 5.283 -2.474 1.00 0.00 H new ATOM 0 HB THR A 32 3.140 6.735 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.791 6.220 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.179 7.911 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.508 7.648 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.196 6.613 -0.854 1.00 0.00 H new ATOM 483 N CYS A 33 0.998 4.172 -5.200 1.00 0.00 N ATOM 484 CA CYS A 33 0.551 4.279 -6.621 1.00 0.00 C ATOM 485 C CYS A 33 -0.979 4.233 -6.680 1.00 0.00 C ATOM 486 O CYS A 33 -1.573 4.368 -7.731 1.00 0.00 O ATOM 487 CB CYS A 33 1.150 3.141 -7.456 1.00 0.00 C ATOM 488 SG CYS A 33 0.282 1.589 -7.122 1.00 0.00 S ATOM 0 H CYS A 33 0.957 3.237 -4.794 1.00 0.00 H new ATOM 0 HA CYS A 33 0.898 5.226 -7.034 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.080 3.383 -8.516 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.209 3.030 -7.224 1.00 0.00 H new ATOM 0 HG CYS A 33 0.124 0.933 -8.233 1.00 0.00 H new ATOM 493 N GLY A 34 -1.622 4.060 -5.556 1.00 0.00 N ATOM 494 CA GLY A 34 -3.111 4.026 -5.549 1.00 0.00 C ATOM 495 C GLY A 34 -3.612 2.635 -5.159 1.00 0.00 C ATOM 496 O GLY A 34 -4.503 2.501 -4.349 1.00 0.00 O ATOM 0 H GLY A 34 -1.180 3.941 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.494 4.767 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.492 4.293 -6.535 1.00 0.00 H new ATOM 500 N TYR A 35 -3.063 1.597 -5.726 1.00 0.00 N ATOM 501 CA TYR A 35 -3.540 0.230 -5.369 1.00 0.00 C ATOM 502 C TYR A 35 -3.654 0.113 -3.847 1.00 0.00 C ATOM 503 O TYR A 35 -2.692 -0.178 -3.164 1.00 0.00 O ATOM 504 CB TYR A 35 -2.553 -0.818 -5.893 1.00 0.00 C ATOM 505 CG TYR A 35 -3.298 -2.092 -6.219 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.495 -2.035 -6.940 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.790 -3.329 -5.801 1.00 0.00 C ATOM 508 CE1 TYR A 35 -5.185 -3.214 -7.247 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.481 -4.508 -6.109 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.679 -4.451 -6.830 1.00 0.00 C ATOM 511 OH TYR A 35 -5.359 -5.612 -7.132 1.00 0.00 O ATOM 0 H TYR A 35 -2.312 1.634 -6.415 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.516 0.059 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.046 -0.443 -6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.784 -1.015 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.887 -1.081 -7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.867 -3.374 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.108 -3.169 -7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.089 -5.462 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.871 -6.381 -6.770 1.00 0.00 H new ATOM 521 N GLN A 36 -4.825 0.335 -3.309 1.00 0.00 N ATOM 522 CA GLN A 36 -5.000 0.235 -1.831 1.00 0.00 C ATOM 523 C GLN A 36 -5.540 -1.153 -1.487 1.00 0.00 C ATOM 524 O GLN A 36 -6.313 -1.728 -2.227 1.00 0.00 O ATOM 525 CB GLN A 36 -5.992 1.298 -1.337 1.00 0.00 C ATOM 526 CG GLN A 36 -6.025 2.484 -2.306 1.00 0.00 C ATOM 527 CD GLN A 36 -7.020 3.530 -1.798 1.00 0.00 C ATOM 528 OE1 GLN A 36 -6.585 4.539 -1.097 1.00 0.00 O flip ATOM 529 NE2 GLN A 36 -8.205 3.426 -2.043 1.00 0.00 N flip ATOM 0 H GLN A 36 -5.667 0.581 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.037 0.397 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.988 0.863 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.704 1.640 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.031 2.924 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.313 2.146 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.545 2.636 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.860 4.128 -1.700 1.00 0.00 H new ATOM 538 N ILE A 37 -5.141 -1.700 -0.372 1.00 0.00 N ATOM 539 CA ILE A 37 -5.638 -3.051 0.007 1.00 0.00 C ATOM 540 C ILE A 37 -6.038 -3.059 1.484 1.00 0.00 C ATOM 541 O ILE A 37 -6.152 -2.027 2.114 1.00 0.00 O ATOM 542 CB ILE A 37 -4.540 -4.088 -0.228 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.363 -3.803 0.706 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.065 -4.018 -1.681 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.319 -4.911 0.563 1.00 0.00 C ATOM 0 H ILE A 37 -4.495 -1.271 0.290 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.506 -3.297 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.935 -5.083 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.919 -2.837 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.709 -3.746 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.282 -4.759 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.903 -4.222 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.671 -3.023 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.480 -4.708 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.767 -5.869 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.965 -4.946 -0.467 1.00 0.00 H new ATOM 557 N CYS A 38 -6.252 -4.220 2.037 1.00 0.00 N ATOM 558 CA CYS A 38 -6.644 -4.310 3.469 1.00 0.00 C ATOM 559 C CYS A 38 -5.383 -4.447 4.328 1.00 0.00 C ATOM 560 O CYS A 38 -4.288 -4.576 3.819 1.00 0.00 O ATOM 561 CB CYS A 38 -7.565 -5.523 3.668 1.00 0.00 C ATOM 562 SG CYS A 38 -6.596 -7.054 3.647 1.00 0.00 S ATOM 0 H CYS A 38 -6.171 -5.115 1.555 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.180 -3.409 3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.097 -5.434 4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.318 -5.550 2.881 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.224 -7.956 2.952 1.00 0.00 H new ATOM 567 N ARG A 39 -5.526 -4.420 5.624 1.00 0.00 N ATOM 568 CA ARG A 39 -4.331 -4.547 6.505 1.00 0.00 C ATOM 569 C ARG A 39 -3.963 -6.024 6.664 1.00 0.00 C ATOM 570 O ARG A 39 -2.879 -6.361 7.098 1.00 0.00 O ATOM 571 CB ARG A 39 -4.645 -3.950 7.878 1.00 0.00 C ATOM 572 CG ARG A 39 -4.628 -2.423 7.788 1.00 0.00 C ATOM 573 CD ARG A 39 -3.215 -1.911 8.080 1.00 0.00 C ATOM 574 NE ARG A 39 -2.813 -2.313 9.457 1.00 0.00 N ATOM 575 CZ ARG A 39 -2.781 -1.425 10.413 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.514 -0.348 10.330 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.014 -1.614 11.453 1.00 0.00 N ATOM 0 H ARG A 39 -6.416 -4.316 6.110 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.493 -4.012 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.621 -4.294 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.912 -4.290 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.945 -2.103 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.335 -1.998 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.513 -2.317 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.183 -0.826 7.983 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.563 -3.282 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.113 -0.200 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.488 0.345 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.441 -2.455 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.988 -0.921 12.201 1.00 0.00 H new ATOM 591 N PHE A 40 -4.858 -6.910 6.320 1.00 0.00 N ATOM 592 CA PHE A 40 -4.559 -8.364 6.456 1.00 0.00 C ATOM 593 C PHE A 40 -3.743 -8.837 5.250 1.00 0.00 C ATOM 594 O PHE A 40 -3.159 -9.903 5.264 1.00 0.00 O ATOM 595 CB PHE A 40 -5.872 -9.148 6.517 1.00 0.00 C ATOM 596 CG PHE A 40 -6.450 -9.065 7.911 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.725 -9.562 9.000 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.711 -8.491 8.113 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.261 -9.487 10.291 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.248 -8.416 9.404 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.521 -8.914 10.494 1.00 0.00 C ATOM 0 H PHE A 40 -5.783 -6.690 5.951 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.987 -8.532 7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.581 -8.745 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.698 -10.189 6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.752 -10.004 8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.270 -8.106 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.701 -9.872 11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.221 -7.975 9.560 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.933 -8.855 11.490 1.00 0.00 H new ATOM 611 N CYS A 41 -3.700 -8.058 4.203 1.00 0.00 N ATOM 612 CA CYS A 41 -2.927 -8.467 2.997 1.00 0.00 C ATOM 613 C CYS A 41 -1.496 -7.935 3.095 1.00 0.00 C ATOM 614 O CYS A 41 -0.545 -8.624 2.782 1.00 0.00 O ATOM 615 CB CYS A 41 -3.601 -7.907 1.744 1.00 0.00 C ATOM 616 SG CYS A 41 -4.829 -9.093 1.143 1.00 0.00 S ATOM 0 H CYS A 41 -4.168 -7.155 4.132 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.900 -9.555 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.079 -6.954 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.856 -7.715 0.972 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.990 -8.813 1.656 1.00 0.00 H new ATOM 621 N TRP A 42 -1.335 -6.713 3.524 1.00 0.00 N ATOM 622 CA TRP A 42 0.036 -6.137 3.640 1.00 0.00 C ATOM 623 C TRP A 42 0.782 -6.838 4.775 1.00 0.00 C ATOM 624 O TRP A 42 1.984 -6.720 4.908 1.00 0.00 O ATOM 625 CB TRP A 42 -0.064 -4.640 3.939 1.00 0.00 C ATOM 626 CG TRP A 42 1.289 -4.104 4.283 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.274 -3.849 3.392 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.822 -3.752 5.594 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.378 -3.363 4.070 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.148 -3.283 5.430 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.289 -3.792 6.894 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.916 -2.870 6.520 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.059 -3.378 7.992 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.370 -2.916 7.805 1.00 0.00 C ATOM 0 H TRP A 42 -2.093 -6.088 3.799 1.00 0.00 H new ATOM 0 HA TRP A 42 0.576 -6.282 2.704 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.466 -4.112 3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.754 -4.470 4.765 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.209 -4.000 2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.254 -3.096 3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.280 -4.144 7.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.926 -2.517 6.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.640 -3.415 8.987 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.957 -2.596 8.653 1.00 0.00 H new ATOM 645 N HIS A 43 0.077 -7.568 5.594 1.00 0.00 N ATOM 646 CA HIS A 43 0.742 -8.280 6.722 1.00 0.00 C ATOM 647 C HIS A 43 1.239 -9.647 6.243 1.00 0.00 C ATOM 648 O HIS A 43 1.935 -10.347 6.951 1.00 0.00 O ATOM 649 CB HIS A 43 -0.259 -8.478 7.862 1.00 0.00 C ATOM 650 CG HIS A 43 -0.214 -7.293 8.783 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.546 -5.974 8.598 1.00 0.00 N flip ATOM 652 CD2 HIS A 43 0.219 -7.395 10.095 1.00 0.00 C flip ATOM 653 CE1 HIS A 43 -0.324 -5.266 9.777 1.00 0.00 C flip ATOM 654 NE2 HIS A 43 0.136 -6.170 10.646 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.932 -7.703 5.531 1.00 0.00 H new ATOM 0 HA HIS A 43 1.586 -7.688 7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.264 -8.600 7.459 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.023 -9.389 8.413 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.901 -5.573 7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.561 -8.294 10.586 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.488 -4.213 9.951 1.00 0.00 H new ATOM 662 N ARG A 44 0.883 -10.034 5.049 1.00 0.00 N ATOM 663 CA ARG A 44 1.331 -11.358 4.532 1.00 0.00 C ATOM 664 C ARG A 44 2.369 -11.155 3.426 1.00 0.00 C ATOM 665 O ARG A 44 3.218 -11.994 3.199 1.00 0.00 O ATOM 666 CB ARG A 44 0.127 -12.119 3.970 1.00 0.00 C ATOM 667 CG ARG A 44 0.260 -13.605 4.309 1.00 0.00 C ATOM 668 CD ARG A 44 -0.229 -14.446 3.129 1.00 0.00 C ATOM 669 NE ARG A 44 -1.442 -13.817 2.537 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.623 -14.310 2.794 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.833 -14.952 3.910 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.593 -14.161 1.935 1.00 0.00 N ATOM 0 H ARG A 44 0.302 -9.492 4.410 1.00 0.00 H new ATOM 0 HA ARG A 44 1.778 -11.931 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.797 -11.721 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.070 -11.985 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.299 -13.845 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.322 -13.838 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.556 -14.526 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.457 -15.459 3.461 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.350 -13.002 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.074 -15.069 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.756 -15.337 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.429 -13.659 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.516 -14.546 2.136 1.00 0.00 H new ATOM 686 N ILE A 45 2.312 -10.050 2.735 1.00 0.00 N ATOM 687 CA ILE A 45 3.299 -9.804 1.646 1.00 0.00 C ATOM 688 C ILE A 45 4.637 -9.377 2.258 1.00 0.00 C ATOM 689 O ILE A 45 5.647 -10.028 2.077 1.00 0.00 O ATOM 690 CB ILE A 45 2.779 -8.699 0.725 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.595 -9.233 -0.086 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.894 -8.262 -0.227 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.582 -8.110 -0.318 1.00 0.00 C ATOM 0 H ILE A 45 1.626 -9.308 2.877 1.00 0.00 H new ATOM 0 HA ILE A 45 3.440 -10.718 1.069 1.00 0.00 H new ATOM 0 HB ILE A 45 2.458 -7.846 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.943 -9.625 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.122 -10.059 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.524 -7.475 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.739 -7.886 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.215 -9.114 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.260 -8.493 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.224 -7.739 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.059 -7.298 -0.866 1.00 0.00 H new ATOM 705 N ARG A 46 4.652 -8.292 2.981 1.00 0.00 N ATOM 706 CA ARG A 46 5.925 -7.831 3.604 1.00 0.00 C ATOM 707 C ARG A 46 6.420 -8.886 4.596 1.00 0.00 C ATOM 708 O ARG A 46 7.551 -8.851 5.042 1.00 0.00 O ATOM 709 CB ARG A 46 5.683 -6.511 4.341 1.00 0.00 C ATOM 710 CG ARG A 46 6.896 -5.596 4.165 1.00 0.00 C ATOM 711 CD ARG A 46 6.757 -4.380 5.082 1.00 0.00 C ATOM 712 NE ARG A 46 7.834 -4.407 6.111 1.00 0.00 N ATOM 713 CZ ARG A 46 7.528 -4.504 7.376 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.600 -3.453 8.146 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.149 -5.651 7.870 1.00 0.00 N ATOM 0 H ARG A 46 3.839 -7.705 3.168 1.00 0.00 H new ATOM 0 HA ARG A 46 6.676 -7.682 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.788 -6.025 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.508 -6.701 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.811 -6.139 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.974 -5.274 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.821 -3.462 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.779 -4.384 5.564 1.00 0.00 H new ATOM 0 HE ARG A 46 8.812 -4.350 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.895 -2.557 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.361 -3.528 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.092 -6.472 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.910 -5.726 8.859 1.00 0.00 H new ATOM 729 N THR A 47 5.584 -9.825 4.947 1.00 0.00 N ATOM 730 CA THR A 47 6.010 -10.880 5.911 1.00 0.00 C ATOM 731 C THR A 47 6.349 -12.162 5.150 1.00 0.00 C ATOM 732 O THR A 47 7.500 -12.519 4.996 1.00 0.00 O ATOM 733 CB THR A 47 4.872 -11.157 6.898 1.00 0.00 C ATOM 734 OG1 THR A 47 4.694 -10.027 7.740 1.00 0.00 O ATOM 735 CG2 THR A 47 5.218 -12.381 7.748 1.00 0.00 C ATOM 0 H THR A 47 4.625 -9.907 4.608 1.00 0.00 H new ATOM 0 HA THR A 47 6.890 -10.540 6.456 1.00 0.00 H new ATOM 0 HB THR A 47 3.951 -11.349 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.745 -9.782 7.763 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.408 -12.577 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.355 -13.247 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.139 -12.192 8.300 1.00 0.00 H new ATOM 743 N ASP A 48 5.355 -12.862 4.676 1.00 0.00 N ATOM 744 CA ASP A 48 5.622 -14.122 3.928 1.00 0.00 C ATOM 745 C ASP A 48 6.308 -13.794 2.600 1.00 0.00 C ATOM 746 O ASP A 48 7.215 -14.481 2.175 1.00 0.00 O ATOM 747 CB ASP A 48 4.300 -14.841 3.652 1.00 0.00 C ATOM 748 CG ASP A 48 4.574 -16.320 3.371 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.812 -17.049 4.320 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.542 -16.697 2.212 1.00 0.00 O ATOM 0 H ASP A 48 4.370 -12.616 4.775 1.00 0.00 H new ATOM 0 HA ASP A 48 6.270 -14.765 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.633 -14.740 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.796 -14.385 2.800 1.00 0.00 H new ATOM 755 N GLU A 49 5.881 -12.752 1.941 1.00 0.00 N ATOM 756 CA GLU A 49 6.508 -12.385 0.641 1.00 0.00 C ATOM 757 C GLU A 49 7.651 -11.396 0.885 1.00 0.00 C ATOM 758 O GLU A 49 8.287 -11.411 1.919 1.00 0.00 O ATOM 759 CB GLU A 49 5.457 -11.741 -0.267 1.00 0.00 C ATOM 760 CG GLU A 49 5.666 -12.214 -1.707 1.00 0.00 C ATOM 761 CD GLU A 49 4.510 -11.723 -2.579 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.997 -10.651 -2.302 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.156 -12.429 -3.510 1.00 0.00 O ATOM 0 H GLU A 49 5.125 -12.139 2.247 1.00 0.00 H new ATOM 0 HA GLU A 49 6.902 -13.281 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.456 -12.007 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.533 -10.655 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.612 -11.834 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.723 -13.302 -1.739 1.00 0.00 H new ATOM 770 N ASN A 50 7.917 -10.539 -0.063 1.00 0.00 N ATOM 771 CA ASN A 50 9.019 -9.551 0.113 1.00 0.00 C ATOM 772 C ASN A 50 8.431 -8.195 0.506 1.00 0.00 C ATOM 773 O ASN A 50 8.824 -7.598 1.488 1.00 0.00 O ATOM 774 CB ASN A 50 9.795 -9.407 -1.198 1.00 0.00 C ATOM 775 CG ASN A 50 8.819 -9.451 -2.375 1.00 0.00 C ATOM 776 OD1 ASN A 50 8.327 -8.429 -2.810 1.00 0.00 O ATOM 777 ND2 ASN A 50 8.515 -10.601 -2.911 1.00 0.00 N ATOM 0 H ASN A 50 7.419 -10.480 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 50 9.692 -9.898 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.348 -8.467 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.528 -10.209 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.864 -10.642 -3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.928 -11.459 -2.546 1.00 0.00 H new ATOM 784 N GLY A 51 7.491 -7.702 -0.254 1.00 0.00 N ATOM 785 CA GLY A 51 6.881 -6.385 0.080 1.00 0.00 C ATOM 786 C GLY A 51 6.858 -5.497 -1.165 1.00 0.00 C ATOM 787 O GLY A 51 7.201 -4.332 -1.115 1.00 0.00 O ATOM 0 H GLY A 51 7.120 -8.154 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.868 -6.527 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.450 -5.901 0.874 1.00 0.00 H new ATOM 791 N LEU A 52 6.455 -6.035 -2.285 1.00 0.00 N ATOM 792 CA LEU A 52 6.411 -5.213 -3.528 1.00 0.00 C ATOM 793 C LEU A 52 4.954 -4.938 -3.907 1.00 0.00 C ATOM 794 O LEU A 52 4.038 -5.517 -3.357 1.00 0.00 O ATOM 795 CB LEU A 52 7.092 -5.969 -4.673 1.00 0.00 C ATOM 796 CG LEU A 52 8.607 -5.976 -4.462 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.275 -6.760 -5.594 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.132 -4.539 -4.465 1.00 0.00 C ATOM 0 H LEU A 52 6.156 -7.004 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 52 6.931 -4.271 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.718 -6.992 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.851 -5.498 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 52 8.836 -6.445 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.355 -6.766 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.903 -7.785 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.043 -6.289 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.212 -4.546 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.902 -4.070 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.657 -3.976 -3.661 1.00 0.00 H new ATOM 810 N CYS A 53 4.734 -4.057 -4.843 1.00 0.00 N ATOM 811 CA CYS A 53 3.338 -3.741 -5.260 1.00 0.00 C ATOM 812 C CYS A 53 2.893 -4.716 -6.357 1.00 0.00 C ATOM 813 O CYS A 53 3.571 -4.868 -7.354 1.00 0.00 O ATOM 814 CB CYS A 53 3.290 -2.317 -5.808 1.00 0.00 C ATOM 815 SG CYS A 53 1.600 -1.682 -5.716 1.00 0.00 S ATOM 0 H CYS A 53 5.461 -3.541 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 53 2.673 -3.833 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.961 -1.675 -5.237 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.638 -2.303 -6.841 1.00 0.00 H new ATOM 0 HG CYS A 53 1.537 -0.528 -6.312 1.00 0.00 H new ATOM 820 N PRO A 54 1.762 -5.346 -6.148 1.00 0.00 N ATOM 821 CA PRO A 54 1.201 -6.306 -7.114 1.00 0.00 C ATOM 822 C PRO A 54 0.492 -5.562 -8.247 1.00 0.00 C ATOM 823 O PRO A 54 -0.159 -6.158 -9.083 1.00 0.00 O ATOM 824 CB PRO A 54 0.197 -7.106 -6.281 1.00 0.00 C ATOM 825 CG PRO A 54 -0.181 -6.211 -5.076 1.00 0.00 C ATOM 826 CD PRO A 54 0.939 -5.164 -4.935 1.00 0.00 C ATOM 0 HA PRO A 54 1.957 -6.935 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.685 -7.356 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.633 -8.047 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.144 -5.728 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.273 -6.805 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.534 -4.154 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.524 -5.326 -4.029 1.00 0.00 H new ATOM 834 N ALA A 55 0.608 -4.262 -8.279 1.00 0.00 N ATOM 835 CA ALA A 55 -0.065 -3.482 -9.355 1.00 0.00 C ATOM 836 C ALA A 55 0.975 -2.681 -10.142 1.00 0.00 C ATOM 837 O ALA A 55 0.914 -2.590 -11.352 1.00 0.00 O ATOM 838 CB ALA A 55 -1.079 -2.524 -8.727 1.00 0.00 C ATOM 0 H ALA A 55 1.139 -3.708 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.577 -4.166 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.573 -1.952 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.823 -3.095 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.564 -1.842 -8.050 1.00 0.00 H new ATOM 844 N CYS A 56 1.928 -2.092 -9.469 1.00 0.00 N ATOM 845 CA CYS A 56 2.960 -1.294 -10.191 1.00 0.00 C ATOM 846 C CYS A 56 4.347 -1.915 -9.968 1.00 0.00 C ATOM 847 O CYS A 56 5.304 -1.579 -10.638 1.00 0.00 O ATOM 848 CB CYS A 56 2.930 0.154 -9.680 1.00 0.00 C ATOM 849 SG CYS A 56 3.782 0.271 -8.088 1.00 0.00 S ATOM 0 H CYS A 56 2.036 -2.129 -8.455 1.00 0.00 H new ATOM 0 HA CYS A 56 2.747 -1.298 -11.260 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.407 0.813 -10.405 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.898 0.489 -9.574 1.00 0.00 H new ATOM 0 HG CYS A 56 3.751 1.501 -7.668 1.00 0.00 H new ATOM 854 N ARG A 57 4.453 -2.828 -9.041 1.00 0.00 N ATOM 855 CA ARG A 57 5.765 -3.493 -8.775 1.00 0.00 C ATOM 856 C ARG A 57 6.732 -2.537 -8.065 1.00 0.00 C ATOM 857 O ARG A 57 7.931 -2.623 -8.237 1.00 0.00 O ATOM 858 CB ARG A 57 6.384 -3.948 -10.098 1.00 0.00 C ATOM 859 CG ARG A 57 6.448 -5.476 -10.129 1.00 0.00 C ATOM 860 CD ARG A 57 6.121 -5.971 -11.539 1.00 0.00 C ATOM 861 NE ARG A 57 5.002 -6.951 -11.475 1.00 0.00 N ATOM 862 CZ ARG A 57 5.228 -8.216 -11.706 1.00 0.00 C ATOM 863 NH1 ARG A 57 6.279 -8.795 -11.192 1.00 0.00 N ATOM 864 NH2 ARG A 57 4.405 -8.900 -12.452 1.00 0.00 N ATOM 0 H ARG A 57 3.683 -3.145 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 57 5.590 -4.353 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.791 -3.581 -10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.384 -3.529 -10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.441 -5.815 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.742 -5.895 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.846 -5.130 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.000 -6.436 -11.986 1.00 0.00 H new ATOM 0 HE ARG A 57 4.059 -6.634 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.923 -8.259 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.456 -9.783 -11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.585 -8.447 -12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.582 -9.888 -12.632 1.00 0.00 H new ATOM 878 N LYS A 58 6.234 -1.642 -7.255 1.00 0.00 N ATOM 879 CA LYS A 58 7.148 -0.713 -6.531 1.00 0.00 C ATOM 880 C LYS A 58 7.291 -1.187 -5.084 1.00 0.00 C ATOM 881 O LYS A 58 6.438 -1.886 -4.576 1.00 0.00 O ATOM 882 CB LYS A 58 6.578 0.707 -6.543 1.00 0.00 C ATOM 883 CG LYS A 58 6.837 1.350 -7.907 1.00 0.00 C ATOM 884 CD LYS A 58 6.685 2.868 -7.791 1.00 0.00 C ATOM 885 CE LYS A 58 5.950 3.402 -9.021 1.00 0.00 C ATOM 886 NZ LYS A 58 5.995 4.891 -9.018 1.00 0.00 N ATOM 0 H LYS A 58 5.240 -1.514 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 58 8.120 -0.707 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.508 0.682 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.040 1.302 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.839 1.099 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.136 0.959 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.133 3.121 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.665 3.337 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.411 3.015 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.915 3.059 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.495 5.255 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.536 5.250 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.985 5.208 -9.041 1.00 0.00 H new ATOM 900 N PRO A 59 8.370 -0.795 -4.462 1.00 0.00 N ATOM 901 CA PRO A 59 8.656 -1.171 -3.068 1.00 0.00 C ATOM 902 C PRO A 59 7.814 -0.333 -2.100 1.00 0.00 C ATOM 903 O PRO A 59 7.917 0.877 -2.061 1.00 0.00 O ATOM 904 CB PRO A 59 10.148 -0.859 -2.913 1.00 0.00 C ATOM 905 CG PRO A 59 10.492 0.180 -4.007 1.00 0.00 C ATOM 906 CD PRO A 59 9.400 0.060 -5.086 1.00 0.00 C ATOM 0 HA PRO A 59 8.418 -2.211 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.361 -0.463 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.748 -1.761 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.517 1.187 -3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.478 -0.014 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.998 1.036 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.790 -0.388 -6.000 1.00 0.00 H new ATOM 914 N TYR A 60 6.980 -0.974 -1.324 1.00 0.00 N ATOM 915 CA TYR A 60 6.121 -0.228 -0.355 1.00 0.00 C ATOM 916 C TYR A 60 6.923 0.911 0.286 1.00 0.00 C ATOM 917 O TYR A 60 8.137 0.882 0.294 1.00 0.00 O ATOM 918 CB TYR A 60 5.643 -1.186 0.743 1.00 0.00 C ATOM 919 CG TYR A 60 4.842 -2.319 0.135 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.389 -2.238 -1.189 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.549 -3.452 0.904 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.646 -3.287 -1.740 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.807 -4.502 0.351 1.00 0.00 C ATOM 924 CZ TYR A 60 3.355 -4.419 -0.970 1.00 0.00 C ATOM 925 OH TYR A 60 2.619 -5.454 -1.513 1.00 0.00 O ATOM 0 H TYR A 60 6.856 -1.986 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 60 5.264 0.188 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.500 -1.586 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.032 -0.646 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.614 -1.365 -1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.896 -3.516 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.297 -3.224 -2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.583 -5.376 0.944 1.00 0.00 H new ATOM 0 HH TYR A 60 3.096 -5.825 -2.285 1.00 0.00 H new ATOM 935 N PRO A 61 6.213 1.882 0.808 1.00 0.00 N ATOM 936 CA PRO A 61 6.829 3.050 1.463 1.00 0.00 C ATOM 937 C PRO A 61 7.312 2.684 2.870 1.00 0.00 C ATOM 938 O PRO A 61 7.835 3.510 3.591 1.00 0.00 O ATOM 939 CB PRO A 61 5.689 4.071 1.523 1.00 0.00 C ATOM 940 CG PRO A 61 4.373 3.263 1.432 1.00 0.00 C ATOM 941 CD PRO A 61 4.733 1.906 0.795 1.00 0.00 C ATOM 0 HA PRO A 61 7.704 3.427 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.729 4.644 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.764 4.785 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.935 3.123 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.635 3.791 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.316 1.075 1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.342 1.826 -0.219 1.00 0.00 H new