USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 378 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 18 CYS SG : rot 150:sc= 0.92 USER MOD Set 1.2: A 21 CYS SG : rot -70:sc= -0.36 USER MOD Set 1.3: A 45 HIS : no HE2:sc= -4.64! C(o=-4.8!,f=-5!) USER MOD Set 1.4: A 48 CYS SG : rot -170:sc= -0.727 USER MOD Set 2.1: A 35 CYS SG : rot 113:sc= -1.52! USER MOD Set 2.2: A 36 HIS : no HE2:sc= -5.34! C(o=-12!,f=-17!) USER MOD Set 2.3: A 37 CYS SG : rot -170:sc= 0.446 USER MOD Set 2.4: A 42 HIS : no HD1:sc= -2.83 K(o=-12,f=-25!) USER MOD Set 2.5: A 61 CYS SG : rot 121:sc= 1.07 USER MOD Set 2.6: A 64 CYS SG : rot -65:sc= -3.38 USER MOD Single : A 22 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-2.7!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 33:sc= 0.581 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.3!) USER MOD Single : A 51 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -35:sc= -0.5 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 78:sc= 1.15 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0.048 (180deg=0.0477) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ASP A 16 -9.541 -9.016 -6.303 1.00 0.00 N ATOM 178 CA ASP A 16 -8.428 -8.076 -6.225 1.00 0.00 C ATOM 179 C ASP A 16 -8.904 -6.648 -6.474 1.00 0.00 C ATOM 180 O ASP A 16 -9.210 -6.274 -7.606 1.00 0.00 O ATOM 181 CB ASP A 16 -7.344 -8.449 -7.237 1.00 0.00 C ATOM 182 CG ASP A 16 -7.013 -9.929 -7.212 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.729 -10.708 -7.875 1.00 0.00 O ATOM 184 OD2 ASP A 16 -6.039 -10.307 -6.528 1.00 0.00 O ATOM 0 HA ASP A 16 -8.009 -8.131 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.674 -8.170 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.442 -7.874 -7.027 1.00 0.00 H new ATOM 189 N ILE A 17 -8.965 -5.856 -5.409 1.00 0.00 N ATOM 190 CA ILE A 17 -9.404 -4.470 -5.512 1.00 0.00 C ATOM 191 C ILE A 17 -8.581 -3.563 -4.603 1.00 0.00 C ATOM 192 O ILE A 17 -7.959 -4.025 -3.647 1.00 0.00 O ATOM 193 CB ILE A 17 -10.894 -4.323 -5.153 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.221 -5.134 -3.897 1.00 0.00 C ATOM 195 CG2 ILE A 17 -11.766 -4.766 -6.318 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.101 -4.338 -2.616 1.00 0.00 C ATOM 0 H ILE A 17 -8.716 -6.151 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.258 -4.169 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.101 -3.273 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.236 -5.523 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.553 -5.994 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.816 -4.656 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.549 -4.149 -7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.559 -5.810 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.347 -4.976 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.080 -3.971 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.789 -3.493 -2.647 1.00 0.00 H new ATOM 208 N CYS A 18 -8.584 -2.270 -4.907 1.00 0.00 N ATOM 209 CA CYS A 18 -7.840 -1.296 -4.118 1.00 0.00 C ATOM 210 C CYS A 18 -7.989 -1.578 -2.625 1.00 0.00 C ATOM 211 O CYS A 18 -8.886 -2.311 -2.208 1.00 0.00 O ATOM 212 CB CYS A 18 -8.322 0.122 -4.431 1.00 0.00 C ATOM 213 SG CYS A 18 -7.197 1.434 -3.854 1.00 0.00 S ATOM 0 H CYS A 18 -9.094 -1.872 -5.695 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.786 -1.380 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.455 0.220 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.301 0.271 -3.975 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.291 2.464 -4.642 1.00 0.00 H new ATOM 218 N ARG A 19 -7.104 -0.991 -1.827 1.00 0.00 N ATOM 219 CA ARG A 19 -7.136 -1.179 -0.381 1.00 0.00 C ATOM 220 C ARG A 19 -7.399 0.143 0.333 1.00 0.00 C ATOM 221 O ARG A 19 -8.012 0.172 1.401 1.00 0.00 O ATOM 222 CB ARG A 19 -5.817 -1.781 0.106 1.00 0.00 C ATOM 223 CG ARG A 19 -4.687 -0.769 0.208 1.00 0.00 C ATOM 224 CD ARG A 19 -3.399 -1.419 0.687 1.00 0.00 C ATOM 225 NE ARG A 19 -2.425 -0.432 1.145 1.00 0.00 N ATOM 226 CZ ARG A 19 -1.454 -0.704 2.010 1.00 0.00 C ATOM 227 NH1 ARG A 19 -1.327 -1.927 2.507 1.00 0.00 N ATOM 228 NH2 ARG A 19 -0.606 0.248 2.379 1.00 0.00 N ATOM 0 H ARG A 19 -6.356 -0.381 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.949 -1.866 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.974 -2.237 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.519 -2.579 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.522 -0.306 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.971 0.028 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.622 -2.111 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.966 -2.006 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.494 0.518 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.976 -2.662 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.580 -2.133 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.699 1.190 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.139 0.038 3.043 1.00 0.00 H new ATOM 242 N ILE A 20 -6.931 1.235 -0.262 1.00 0.00 N ATOM 243 CA ILE A 20 -7.116 2.560 0.317 1.00 0.00 C ATOM 244 C ILE A 20 -8.544 3.055 0.112 1.00 0.00 C ATOM 245 O ILE A 20 -9.119 3.702 0.987 1.00 0.00 O ATOM 246 CB ILE A 20 -6.138 3.582 -0.291 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.692 3.155 -0.030 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.398 4.968 0.279 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.697 3.777 -0.984 1.00 0.00 C ATOM 0 H ILE A 20 -6.421 1.228 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.915 2.469 1.384 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.297 3.618 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.421 3.424 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.623 2.070 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.699 5.679 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.419 5.272 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.263 4.948 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.693 3.430 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.943 3.488 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.737 4.863 -0.895 1.00 0.00 H new ATOM 261 N CYS A 21 -9.111 2.744 -1.048 1.00 0.00 N ATOM 262 CA CYS A 21 -10.472 3.155 -1.369 1.00 0.00 C ATOM 263 C CYS A 21 -11.395 1.945 -1.477 1.00 0.00 C ATOM 264 O CYS A 21 -12.603 2.051 -1.264 1.00 0.00 O ATOM 265 CB CYS A 21 -10.493 3.945 -2.679 1.00 0.00 C ATOM 266 SG CYS A 21 -10.305 2.916 -4.171 1.00 0.00 S ATOM 0 H CYS A 21 -8.648 2.208 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.832 3.793 -0.562 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.433 4.494 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.693 4.685 -2.658 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.093 2.450 -4.227 1.00 0.00 H new ATOM 271 N HIS A 22 -10.817 0.795 -1.810 1.00 0.00 N ATOM 272 CA HIS A 22 -11.587 -0.436 -1.945 1.00 0.00 C ATOM 273 C HIS A 22 -12.584 -0.330 -3.095 1.00 0.00 C ATOM 274 O HIS A 22 -13.782 -0.552 -2.914 1.00 0.00 O ATOM 275 CB HIS A 22 -12.324 -0.748 -0.643 1.00 0.00 C ATOM 276 CG HIS A 22 -11.413 -0.945 0.529 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.522 -0.221 1.697 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.373 -1.792 0.709 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.587 -0.613 2.544 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.876 -1.566 1.969 1.00 0.00 N ATOM 0 H HIS A 22 -9.819 0.690 -1.991 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.892 -1.247 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.015 0.065 -0.423 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.924 -1.647 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.003 -2.512 -0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.431 -0.221 3.538 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.087 -2.054 2.392 1.00 0.00 H new ATOM 288 N CYS A 23 -12.083 0.012 -4.277 1.00 0.00 N ATOM 289 CA CYS A 23 -12.930 0.150 -5.456 1.00 0.00 C ATOM 290 C CYS A 23 -12.341 -0.610 -6.640 1.00 0.00 C ATOM 291 O CYS A 23 -11.161 -0.957 -6.642 1.00 0.00 O ATOM 292 CB CYS A 23 -13.102 1.626 -5.816 1.00 0.00 C ATOM 293 SG CYS A 23 -14.080 2.568 -4.622 1.00 0.00 S ATOM 0 H CYS A 23 -11.094 0.199 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.906 -0.276 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.117 2.084 -5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.576 1.697 -6.795 1.00 0.00 H new ATOM 0 HG CYS A 23 -14.167 3.805 -5.012 1.00 0.00 H new ATOM 299 N GLU A 24 -13.173 -0.865 -7.646 1.00 0.00 N ATOM 300 CA GLU A 24 -12.734 -1.586 -8.835 1.00 0.00 C ATOM 301 C GLU A 24 -11.578 -0.859 -9.516 1.00 0.00 C ATOM 302 O GLU A 24 -11.536 0.370 -9.550 1.00 0.00 O ATOM 303 CB GLU A 24 -13.896 -1.750 -9.817 1.00 0.00 C ATOM 304 CG GLU A 24 -14.696 -3.025 -9.605 1.00 0.00 C ATOM 305 CD GLU A 24 -15.620 -3.333 -10.767 1.00 0.00 C ATOM 306 OE1 GLU A 24 -16.774 -2.858 -10.750 1.00 0.00 O ATOM 307 OE2 GLU A 24 -15.187 -4.050 -11.694 1.00 0.00 O ATOM 0 H GLU A 24 -14.153 -0.583 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.388 -2.572 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.563 -0.893 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.505 -1.741 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.010 -3.860 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.284 -2.933 -8.692 1.00 0.00 H new ATOM 314 N GLY A 25 -10.639 -1.630 -10.057 1.00 0.00 N ATOM 315 CA GLY A 25 -9.494 -1.043 -10.729 1.00 0.00 C ATOM 316 C GLY A 25 -9.892 -0.207 -11.929 1.00 0.00 C ATOM 317 O GLY A 25 -10.635 -0.668 -12.796 1.00 0.00 O ATOM 0 H GLY A 25 -10.651 -2.650 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.942 -0.421 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.819 -1.836 -11.050 1.00 0.00 H new ATOM 321 N ASP A 26 -9.398 1.025 -11.980 1.00 0.00 N ATOM 322 CA ASP A 26 -9.707 1.927 -13.083 1.00 0.00 C ATOM 323 C ASP A 26 -8.620 1.871 -14.152 1.00 0.00 C ATOM 324 O ASP A 26 -7.499 1.438 -13.889 1.00 0.00 O ATOM 325 CB ASP A 26 -9.861 3.360 -12.570 1.00 0.00 C ATOM 326 CG ASP A 26 -11.027 3.510 -11.614 1.00 0.00 C ATOM 327 OD1 ASP A 26 -12.119 2.987 -11.922 1.00 0.00 O ATOM 328 OD2 ASP A 26 -10.849 4.150 -10.557 1.00 0.00 O ATOM 0 H ASP A 26 -8.782 1.422 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.648 1.606 -13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.942 3.664 -12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.000 4.033 -13.416 1.00 0.00 H new ATOM 333 N ASP A 27 -8.962 2.310 -15.359 1.00 0.00 N ATOM 334 CA ASP A 27 -8.015 2.309 -16.469 1.00 0.00 C ATOM 335 C ASP A 27 -6.770 3.118 -16.121 1.00 0.00 C ATOM 336 O ASP A 27 -5.647 2.695 -16.395 1.00 0.00 O ATOM 337 CB ASP A 27 -8.672 2.876 -17.727 1.00 0.00 C ATOM 338 CG ASP A 27 -9.382 1.812 -18.541 1.00 0.00 C ATOM 339 OD1 ASP A 27 -10.132 1.012 -17.944 1.00 0.00 O ATOM 340 OD2 ASP A 27 -9.185 1.777 -19.774 1.00 0.00 O ATOM 0 H ASP A 27 -9.887 2.671 -15.594 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.715 1.278 -16.658 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.386 3.649 -17.443 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.913 3.355 -18.345 1.00 0.00 H new ATOM 345 N GLU A 28 -6.977 4.284 -15.517 1.00 0.00 N ATOM 346 CA GLU A 28 -5.870 5.153 -15.134 1.00 0.00 C ATOM 347 C GLU A 28 -5.380 4.822 -13.727 1.00 0.00 C ATOM 348 O GLU A 28 -4.204 4.998 -13.411 1.00 0.00 O ATOM 349 CB GLU A 28 -6.296 6.621 -15.206 1.00 0.00 C ATOM 350 CG GLU A 28 -6.403 7.155 -16.624 1.00 0.00 C ATOM 351 CD GLU A 28 -7.429 8.263 -16.755 1.00 0.00 C ATOM 352 OE1 GLU A 28 -7.072 9.435 -16.516 1.00 0.00 O ATOM 353 OE2 GLU A 28 -8.591 7.958 -17.097 1.00 0.00 O ATOM 0 H GLU A 28 -7.900 4.649 -15.282 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.051 4.985 -15.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.260 6.736 -14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.578 7.226 -14.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.429 7.527 -16.942 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.667 6.339 -17.296 1.00 0.00 H new ATOM 360 N SER A 29 -6.292 4.343 -12.887 1.00 0.00 N ATOM 361 CA SER A 29 -5.955 3.992 -11.513 1.00 0.00 C ATOM 362 C SER A 29 -6.188 2.505 -11.259 1.00 0.00 C ATOM 363 O SER A 29 -6.896 2.111 -10.332 1.00 0.00 O ATOM 364 CB SER A 29 -6.785 4.824 -10.533 1.00 0.00 C ATOM 365 OG SER A 29 -6.291 6.149 -10.444 1.00 0.00 O ATOM 0 H SER A 29 -7.270 4.189 -13.134 1.00 0.00 H new ATOM 0 HA SER A 29 -4.898 4.208 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.826 4.841 -10.856 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.765 4.358 -9.548 1.00 0.00 H new ATOM 0 HG SER A 29 -6.839 6.661 -9.813 1.00 0.00 H new ATOM 371 N PRO A 30 -5.578 1.659 -12.103 1.00 0.00 N ATOM 372 CA PRO A 30 -5.703 0.203 -11.991 1.00 0.00 C ATOM 373 C PRO A 30 -4.985 -0.348 -10.764 1.00 0.00 C ATOM 374 O PRO A 30 -4.377 0.402 -9.999 1.00 0.00 O ATOM 375 CB PRO A 30 -5.042 -0.309 -13.273 1.00 0.00 C ATOM 376 CG PRO A 30 -4.086 0.766 -13.661 1.00 0.00 C ATOM 377 CD PRO A 30 -4.720 2.059 -13.230 1.00 0.00 C ATOM 0 HA PRO A 30 -6.741 -0.110 -11.876 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.527 -1.254 -13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.780 -0.484 -14.056 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.121 0.624 -13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.906 0.759 -14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.972 2.791 -12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.299 2.511 -14.035 1.00 0.00 H new ATOM 385 N LEU A 31 -5.058 -1.662 -10.582 1.00 0.00 N ATOM 386 CA LEU A 31 -4.414 -2.314 -9.447 1.00 0.00 C ATOM 387 C LEU A 31 -3.010 -2.784 -9.814 1.00 0.00 C ATOM 388 O LEU A 31 -2.839 -3.825 -10.450 1.00 0.00 O ATOM 389 CB LEU A 31 -5.254 -3.502 -8.972 1.00 0.00 C ATOM 390 CG LEU A 31 -6.727 -3.210 -8.685 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.494 -4.505 -8.464 1.00 0.00 C ATOM 392 CD2 LEU A 31 -6.864 -2.294 -7.478 1.00 0.00 C ATOM 0 H LEU A 31 -5.557 -2.297 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.334 -1.587 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.200 -4.285 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.800 -3.903 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.153 -2.703 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.541 -4.278 -8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.424 -5.126 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.068 -5.040 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.919 -2.097 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.422 -2.774 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.349 -1.354 -7.675 1.00 0.00 H new ATOM 404 N ILE A 32 -2.009 -2.011 -9.408 1.00 0.00 N ATOM 405 CA ILE A 32 -0.619 -2.350 -9.691 1.00 0.00 C ATOM 406 C ILE A 32 0.139 -2.676 -8.409 1.00 0.00 C ATOM 407 O ILE A 32 -0.280 -2.302 -7.314 1.00 0.00 O ATOM 408 CB ILE A 32 0.102 -1.203 -10.423 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.070 0.109 -9.655 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.427 -1.065 -11.843 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.930 1.174 -10.047 1.00 0.00 C ATOM 0 H ILE A 32 -2.134 -1.146 -8.882 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.633 -3.229 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 32 1.166 -1.436 -10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.078 0.489 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.023 -0.090 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.092 -0.250 -12.347 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.258 -1.995 -12.386 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.495 -0.851 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.749 2.076 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.940 0.813 -9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.823 1.401 -11.108 1.00 0.00 H new ATOM 423 N THR A 33 1.260 -3.376 -8.554 1.00 0.00 N ATOM 424 CA THR A 33 2.079 -3.753 -7.408 1.00 0.00 C ATOM 425 C THR A 33 3.077 -2.655 -7.061 1.00 0.00 C ATOM 426 O THR A 33 4.017 -2.378 -7.806 1.00 0.00 O ATOM 427 CB THR A 33 2.845 -5.063 -7.672 1.00 0.00 C ATOM 428 OG1 THR A 33 3.682 -4.917 -8.824 1.00 0.00 O ATOM 429 CG2 THR A 33 1.881 -6.221 -7.882 1.00 0.00 C ATOM 0 H THR A 33 1.621 -3.693 -9.453 1.00 0.00 H new ATOM 0 HA THR A 33 1.400 -3.901 -6.569 1.00 0.00 H new ATOM 0 HB THR A 33 3.462 -5.279 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.006 -3.994 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.445 -7.135 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.265 -6.348 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.241 -6.011 -8.739 1.00 0.00 H new ATOM 437 N PRO A 34 2.872 -2.012 -5.901 1.00 0.00 N ATOM 438 CA PRO A 34 3.745 -0.934 -5.428 1.00 0.00 C ATOM 439 C PRO A 34 5.122 -1.442 -5.015 1.00 0.00 C ATOM 440 O PRO A 34 6.107 -0.705 -5.062 1.00 0.00 O ATOM 441 CB PRO A 34 2.995 -0.377 -4.216 1.00 0.00 C ATOM 442 CG PRO A 34 2.156 -1.510 -3.736 1.00 0.00 C ATOM 443 CD PRO A 34 1.771 -2.289 -4.963 1.00 0.00 C ATOM 0 HA PRO A 34 3.937 -0.194 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.686 -0.041 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.382 0.481 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.709 -2.135 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.272 -1.146 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.682 -3.354 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.811 -1.962 -5.362 1.00 0.00 H new ATOM 451 N CYS A 35 5.184 -2.707 -4.611 1.00 0.00 N ATOM 452 CA CYS A 35 6.441 -3.315 -4.190 1.00 0.00 C ATOM 453 C CYS A 35 6.360 -4.837 -4.262 1.00 0.00 C ATOM 454 O CYS A 35 5.364 -5.395 -4.723 1.00 0.00 O ATOM 455 CB CYS A 35 6.790 -2.878 -2.766 1.00 0.00 C ATOM 456 SG CYS A 35 5.506 -3.266 -1.533 1.00 0.00 S ATOM 0 H CYS A 35 4.378 -3.331 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 35 7.225 -2.978 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.722 -3.359 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.970 -1.803 -2.761 1.00 0.00 H new ATOM 0 HG CYS A 35 5.951 -4.171 -0.713 1.00 0.00 H new ATOM 461 N HIS A 36 7.415 -5.502 -3.803 1.00 0.00 N ATOM 462 CA HIS A 36 7.463 -6.960 -3.814 1.00 0.00 C ATOM 463 C HIS A 36 6.673 -7.539 -2.644 1.00 0.00 C ATOM 464 O HIS A 36 7.105 -8.496 -2.002 1.00 0.00 O ATOM 465 CB HIS A 36 8.912 -7.444 -3.754 1.00 0.00 C ATOM 466 CG HIS A 36 9.474 -7.481 -2.366 1.00 0.00 C ATOM 467 ND1 HIS A 36 9.782 -8.655 -1.711 1.00 0.00 N ATOM 468 CD2 HIS A 36 9.786 -6.481 -1.510 1.00 0.00 C ATOM 469 CE1 HIS A 36 10.257 -8.374 -0.510 1.00 0.00 C ATOM 470 NE2 HIS A 36 10.270 -7.062 -0.364 1.00 0.00 N ATOM 0 H HIS A 36 8.248 -5.055 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 36 7.010 -7.306 -4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.971 -8.442 -4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.530 -6.791 -4.370 1.00 0.00 H new ATOM 0 HD1 HIS A 36 9.662 -9.593 -2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.675 -5.423 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.580 -9.095 0.227 1.00 0.00 H new ATOM 478 N CYS A 37 5.512 -6.951 -2.372 1.00 0.00 N ATOM 479 CA CYS A 37 4.662 -7.406 -1.279 1.00 0.00 C ATOM 480 C CYS A 37 3.266 -7.758 -1.786 1.00 0.00 C ATOM 481 O CYS A 37 2.364 -6.919 -1.788 1.00 0.00 O ATOM 482 CB CYS A 37 4.567 -6.330 -0.196 1.00 0.00 C ATOM 483 SG CYS A 37 6.098 -6.105 0.765 1.00 0.00 S ATOM 0 H CYS A 37 5.139 -6.158 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 37 5.111 -8.302 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.301 -5.382 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.757 -6.587 0.486 1.00 0.00 H new ATOM 0 HG CYS A 37 5.861 -5.333 1.784 1.00 0.00 H new ATOM 520 N LEU A 41 -4.415 -7.453 -0.123 1.00 0.00 N ATOM 521 CA LEU A 41 -5.011 -6.382 -0.914 1.00 0.00 C ATOM 522 C LEU A 41 -3.985 -5.294 -1.218 1.00 0.00 C ATOM 523 O LEU A 41 -4.343 -4.154 -1.516 1.00 0.00 O ATOM 524 CB LEU A 41 -6.206 -5.779 -0.174 1.00 0.00 C ATOM 525 CG LEU A 41 -7.230 -6.775 0.372 1.00 0.00 C ATOM 526 CD1 LEU A 41 -7.569 -7.821 -0.679 1.00 0.00 C ATOM 527 CD2 LEU A 41 -6.707 -7.438 1.638 1.00 0.00 C ATOM 0 HA LEU A 41 -5.353 -6.808 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.830 -5.183 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.719 -5.095 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.141 -6.231 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.299 -8.521 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.986 -7.331 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.665 -8.361 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.449 -8.143 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.781 -7.969 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.516 -6.677 2.395 1.00 0.00 H new ATOM 539 N HIS A 42 -2.708 -5.655 -1.143 1.00 0.00 N ATOM 540 CA HIS A 42 -1.630 -4.710 -1.413 1.00 0.00 C ATOM 541 C HIS A 42 -1.885 -3.951 -2.711 1.00 0.00 C ATOM 542 O HIS A 42 -1.450 -2.811 -2.871 1.00 0.00 O ATOM 543 CB HIS A 42 -0.290 -5.442 -1.491 1.00 0.00 C ATOM 544 CG HIS A 42 0.874 -4.611 -1.046 1.00 0.00 C ATOM 545 ND1 HIS A 42 1.090 -4.263 0.271 1.00 0.00 N ATOM 546 CD2 HIS A 42 1.889 -4.059 -1.751 1.00 0.00 C ATOM 547 CE1 HIS A 42 2.187 -3.532 0.356 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.691 -3.394 -0.857 1.00 0.00 N ATOM 0 H HIS A 42 -2.394 -6.594 -0.898 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.596 -3.992 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.340 -6.341 -0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.122 -5.767 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.040 -4.129 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.601 -3.118 1.263 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.539 -2.877 -1.091 1.00 0.00 H new ATOM 556 N PHE A 43 -2.592 -4.592 -3.636 1.00 0.00 N ATOM 557 CA PHE A 43 -2.903 -3.978 -4.922 1.00 0.00 C ATOM 558 C PHE A 43 -3.667 -2.671 -4.730 1.00 0.00 C ATOM 559 O PHE A 43 -4.881 -2.673 -4.524 1.00 0.00 O ATOM 560 CB PHE A 43 -3.724 -4.939 -5.785 1.00 0.00 C ATOM 561 CG PHE A 43 -3.439 -6.387 -5.506 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.152 -6.888 -5.620 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.457 -7.248 -5.129 1.00 0.00 C ATOM 564 CE1 PHE A 43 -1.887 -8.221 -5.364 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.199 -8.581 -4.872 1.00 0.00 C ATOM 566 CZ PHE A 43 -2.911 -9.068 -4.988 1.00 0.00 C ATOM 0 H PHE A 43 -2.960 -5.536 -3.519 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.963 -3.758 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.784 -4.747 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.522 -4.733 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.347 -6.230 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.465 -6.872 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.880 -8.599 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.003 -9.241 -4.581 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.706 -10.109 -4.785 1.00 0.00 H new ATOM 576 N VAL A 44 -2.947 -1.556 -4.797 1.00 0.00 N ATOM 577 CA VAL A 44 -3.555 -0.242 -4.631 1.00 0.00 C ATOM 578 C VAL A 44 -3.637 0.498 -5.962 1.00 0.00 C ATOM 579 O VAL A 44 -3.138 0.021 -6.982 1.00 0.00 O ATOM 580 CB VAL A 44 -2.767 0.619 -3.626 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.336 -0.217 -2.430 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.563 1.258 -4.301 1.00 0.00 C ATOM 0 H VAL A 44 -1.941 -1.537 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.562 -0.406 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.419 1.416 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.781 0.408 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.217 -0.623 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.701 -1.036 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.018 1.863 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.907 0.479 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.900 1.891 -5.122 1.00 0.00 H new ATOM 592 N HIS A 45 -4.269 1.667 -5.945 1.00 0.00 N ATOM 593 CA HIS A 45 -4.415 2.474 -7.151 1.00 0.00 C ATOM 594 C HIS A 45 -3.255 3.455 -7.292 1.00 0.00 C ATOM 595 O HIS A 45 -2.968 4.226 -6.377 1.00 0.00 O ATOM 596 CB HIS A 45 -5.741 3.235 -7.123 1.00 0.00 C ATOM 597 CG HIS A 45 -6.933 2.373 -7.403 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.231 2.791 -7.196 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.019 1.108 -7.878 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.063 1.821 -7.531 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.352 0.789 -7.948 1.00 0.00 N ATOM 0 H HIS A 45 -4.688 2.076 -5.110 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.407 1.804 -8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.862 3.701 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.704 4.039 -7.858 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.506 3.706 -6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.192 0.469 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.141 1.864 -7.474 1.00 0.00 H new ATOM 609 N GLN A 46 -2.593 3.419 -8.444 1.00 0.00 N ATOM 610 CA GLN A 46 -1.463 4.303 -8.703 1.00 0.00 C ATOM 611 C GLN A 46 -1.710 5.688 -8.113 1.00 0.00 C ATOM 612 O GLN A 46 -0.804 6.306 -7.555 1.00 0.00 O ATOM 613 CB GLN A 46 -1.210 4.414 -10.207 1.00 0.00 C ATOM 614 CG GLN A 46 -0.006 5.273 -10.560 1.00 0.00 C ATOM 615 CD GLN A 46 0.404 5.135 -12.013 1.00 0.00 C ATOM 616 OE1 GLN A 46 -0.258 5.659 -12.909 1.00 0.00 O ATOM 617 NE2 GLN A 46 1.502 4.428 -12.253 1.00 0.00 N ATOM 0 H GLN A 46 -2.820 2.788 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.582 3.876 -8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.066 3.415 -10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.096 4.830 -10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.235 6.317 -10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.833 4.996 -9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.020 4.011 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.828 4.302 -13.211 1.00 0.00 H new ATOM 626 N ALA A 47 -2.942 6.170 -8.243 1.00 0.00 N ATOM 627 CA ALA A 47 -3.308 7.481 -7.722 1.00 0.00 C ATOM 628 C ALA A 47 -3.439 7.451 -6.203 1.00 0.00 C ATOM 629 O ALA A 47 -2.698 8.131 -5.492 1.00 0.00 O ATOM 630 CB ALA A 47 -4.607 7.957 -8.356 1.00 0.00 C ATOM 0 H ALA A 47 -3.703 5.672 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.513 8.181 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.868 8.937 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.481 8.026 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.404 7.249 -8.129 1.00 0.00 H new ATOM 636 N CYS A 48 -4.386 6.660 -5.711 1.00 0.00 N ATOM 637 CA CYS A 48 -4.616 6.542 -4.276 1.00 0.00 C ATOM 638 C CYS A 48 -3.293 6.497 -3.515 1.00 0.00 C ATOM 639 O CYS A 48 -3.106 7.213 -2.531 1.00 0.00 O ATOM 640 CB CYS A 48 -5.434 5.286 -3.971 1.00 0.00 C ATOM 641 SG CYS A 48 -7.174 5.385 -4.500 1.00 0.00 S ATOM 0 H CYS A 48 -5.007 6.090 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.174 7.420 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.965 4.432 -4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.402 5.096 -2.898 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.832 4.373 -4.018 1.00 0.00 H new ATOM 646 N LEU A 49 -2.379 5.652 -3.979 1.00 0.00 N ATOM 647 CA LEU A 49 -1.073 5.514 -3.343 1.00 0.00 C ATOM 648 C LEU A 49 -0.578 6.858 -2.817 1.00 0.00 C ATOM 649 O LEU A 49 -0.011 6.937 -1.728 1.00 0.00 O ATOM 650 CB LEU A 49 -0.060 4.937 -4.334 1.00 0.00 C ATOM 651 CG LEU A 49 1.370 4.778 -3.816 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.396 3.881 -2.588 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.273 4.220 -4.906 1.00 0.00 C ATOM 0 H LEU A 49 -2.518 5.053 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.177 4.831 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.417 3.961 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.037 5.579 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 49 1.744 5.761 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.422 3.779 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.782 4.322 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.003 2.898 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.287 4.114 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.901 3.246 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.279 4.901 -5.757 1.00 0.00 H new ATOM 665 N GLN A 50 -0.800 7.910 -3.598 1.00 0.00 N ATOM 666 CA GLN A 50 -0.377 9.251 -3.209 1.00 0.00 C ATOM 667 C GLN A 50 -0.959 9.633 -1.852 1.00 0.00 C ATOM 668 O GLN A 50 -0.223 9.958 -0.921 1.00 0.00 O ATOM 669 CB GLN A 50 -0.807 10.270 -4.266 1.00 0.00 C ATOM 670 CG GLN A 50 -0.322 9.935 -5.667 1.00 0.00 C ATOM 671 CD GLN A 50 -1.011 10.759 -6.736 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.758 10.229 -7.560 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.765 12.063 -6.730 1.00 0.00 N ATOM 0 H GLN A 50 -1.269 7.861 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 50 0.710 9.254 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.895 10.336 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.430 11.253 -3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.754 10.100 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.493 8.877 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.140 12.461 -6.029 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.201 12.668 -7.426 1.00 0.00 H new ATOM 682 N GLN A 51 -2.283 9.590 -1.748 1.00 0.00 N ATOM 683 CA GLN A 51 -2.962 9.933 -0.504 1.00 0.00 C ATOM 684 C GLN A 51 -2.290 9.259 0.687 1.00 0.00 C ATOM 685 O GLN A 51 -2.131 9.865 1.747 1.00 0.00 O ATOM 686 CB GLN A 51 -4.434 9.523 -0.573 1.00 0.00 C ATOM 687 CG GLN A 51 -5.252 10.352 -1.550 1.00 0.00 C ATOM 688 CD GLN A 51 -5.178 11.838 -1.259 1.00 0.00 C ATOM 689 OE1 GLN A 51 -4.175 12.491 -1.549 1.00 0.00 O ATOM 690 NE2 GLN A 51 -6.243 12.383 -0.682 1.00 0.00 N ATOM 0 H GLN A 51 -2.906 9.321 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.898 11.013 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.497 8.473 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.874 9.610 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.898 10.166 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.293 10.030 -1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.054 11.805 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.250 13.379 -0.462 1.00 0.00 H new ATOM 699 N TRP A 52 -1.897 8.004 0.506 1.00 0.00 N ATOM 700 CA TRP A 52 -1.241 7.248 1.567 1.00 0.00 C ATOM 701 C TRP A 52 0.174 7.761 1.807 1.00 0.00 C ATOM 702 O TRP A 52 0.600 7.924 2.951 1.00 0.00 O ATOM 703 CB TRP A 52 -1.204 5.760 1.212 1.00 0.00 C ATOM 704 CG TRP A 52 -0.606 4.908 2.291 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.273 4.286 3.308 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.779 4.585 2.459 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.386 3.596 4.099 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.879 3.763 3.599 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.943 4.908 1.757 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.097 3.263 4.051 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.151 4.411 2.207 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.221 3.595 3.345 1.00 0.00 C ATOM 0 H TRP A 52 -2.021 7.488 -0.365 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.816 7.382 2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.218 5.417 1.008 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.632 5.627 0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.340 4.330 3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.630 3.048 4.924 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.899 5.535 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.153 2.635 4.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.057 4.655 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.181 3.221 3.671 1.00 0.00 H new ATOM 723 N ILE A 53 0.899 8.016 0.722 1.00 0.00 N ATOM 724 CA ILE A 53 2.266 8.512 0.817 1.00 0.00 C ATOM 725 C ILE A 53 2.335 9.774 1.670 1.00 0.00 C ATOM 726 O ILE A 53 3.307 9.997 2.392 1.00 0.00 O ATOM 727 CB ILE A 53 2.852 8.815 -0.575 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.100 7.514 -1.342 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.141 9.613 -0.445 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.601 7.731 -2.753 1.00 0.00 C ATOM 0 H ILE A 53 0.562 7.887 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 53 2.855 7.725 1.288 1.00 0.00 H new ATOM 0 HB ILE A 53 2.132 9.413 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.826 6.912 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.174 6.941 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.543 9.819 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.937 10.554 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.868 9.039 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.755 6.766 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.866 8.306 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.544 8.277 -2.724 1.00 0.00 H new ATOM 742 N LYS A 54 1.295 10.597 1.584 1.00 0.00 N ATOM 743 CA LYS A 54 1.234 11.836 2.350 1.00 0.00 C ATOM 744 C LYS A 54 0.655 11.589 3.740 1.00 0.00 C ATOM 745 O LYS A 54 1.094 12.189 4.721 1.00 0.00 O ATOM 746 CB LYS A 54 0.388 12.876 1.611 1.00 0.00 C ATOM 747 CG LYS A 54 0.878 13.169 0.204 1.00 0.00 C ATOM 748 CD LYS A 54 0.228 14.421 -0.363 1.00 0.00 C ATOM 749 CE LYS A 54 0.890 14.851 -1.663 1.00 0.00 C ATOM 750 NZ LYS A 54 0.245 16.064 -2.238 1.00 0.00 N ATOM 0 H LYS A 54 0.483 10.428 0.991 1.00 0.00 H new ATOM 0 HA LYS A 54 2.250 12.215 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.643 12.525 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.383 13.802 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.961 13.292 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.659 12.319 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.832 14.235 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.295 15.229 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.946 15.051 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.838 14.035 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.724 16.326 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.757 15.865 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.317 16.850 -1.560 1.00 0.00 H new ATOM 764 N SER A 55 -0.331 10.701 3.815 1.00 0.00 N ATOM 765 CA SER A 55 -0.971 10.376 5.085 1.00 0.00 C ATOM 766 C SER A 55 0.069 10.022 6.143 1.00 0.00 C ATOM 767 O SER A 55 0.033 10.536 7.261 1.00 0.00 O ATOM 768 CB SER A 55 -1.948 9.213 4.904 1.00 0.00 C ATOM 769 OG SER A 55 -1.264 8.022 4.554 1.00 0.00 O ATOM 0 H SER A 55 -0.704 10.194 3.012 1.00 0.00 H new ATOM 0 HA SER A 55 -1.521 11.255 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.508 9.057 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.673 9.461 4.129 1.00 0.00 H new ATOM 0 HG SER A 55 -0.494 8.241 3.988 1.00 0.00 H new ATOM 775 N SER A 56 0.996 9.141 5.781 1.00 0.00 N ATOM 776 CA SER A 56 2.045 8.714 6.700 1.00 0.00 C ATOM 777 C SER A 56 3.416 9.170 6.209 1.00 0.00 C ATOM 778 O SER A 56 4.435 8.554 6.519 1.00 0.00 O ATOM 779 CB SER A 56 2.027 7.192 6.856 1.00 0.00 C ATOM 780 OG SER A 56 1.191 6.800 7.931 1.00 0.00 O ATOM 0 H SER A 56 1.042 8.709 4.858 1.00 0.00 H new ATOM 0 HA SER A 56 1.854 9.174 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.676 6.733 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.040 6.829 7.028 1.00 0.00 H new ATOM 0 HG SER A 56 1.195 5.823 8.009 1.00 0.00 H new ATOM 786 N ASP A 57 3.431 10.253 5.440 1.00 0.00 N ATOM 787 CA ASP A 57 4.676 10.794 4.905 1.00 0.00 C ATOM 788 C ASP A 57 5.669 9.676 4.605 1.00 0.00 C ATOM 789 O ASP A 57 6.858 9.790 4.905 1.00 0.00 O ATOM 790 CB ASP A 57 5.290 11.788 5.892 1.00 0.00 C ATOM 791 CG ASP A 57 4.554 13.113 5.913 1.00 0.00 C ATOM 792 OD1 ASP A 57 3.494 13.193 6.569 1.00 0.00 O ATOM 793 OD2 ASP A 57 5.037 14.070 5.273 1.00 0.00 O ATOM 0 H ASP A 57 2.596 10.774 5.173 1.00 0.00 H new ATOM 0 HA ASP A 57 4.448 11.313 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.281 11.355 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.334 11.960 5.628 1.00 0.00 H new ATOM 798 N THR A 58 5.174 8.594 4.012 1.00 0.00 N ATOM 799 CA THR A 58 6.017 7.454 3.674 1.00 0.00 C ATOM 800 C THR A 58 5.889 7.094 2.198 1.00 0.00 C ATOM 801 O THR A 58 4.815 6.710 1.735 1.00 0.00 O ATOM 802 CB THR A 58 5.662 6.220 4.525 1.00 0.00 C ATOM 803 OG1 THR A 58 5.748 6.543 5.917 1.00 0.00 O ATOM 804 CG2 THR A 58 6.592 5.059 4.209 1.00 0.00 C ATOM 0 H THR A 58 4.193 8.483 3.756 1.00 0.00 H new ATOM 0 HA THR A 58 7.045 7.748 3.886 1.00 0.00 H new ATOM 0 HB THR A 58 4.641 5.922 4.285 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.954 7.052 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.322 4.199 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.501 4.796 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.621 5.348 4.423 1.00 0.00 H new ATOM 812 N ARG A 59 6.990 7.221 1.465 1.00 0.00 N ATOM 813 CA ARG A 59 7.000 6.909 0.041 1.00 0.00 C ATOM 814 C ARG A 59 7.371 5.448 -0.193 1.00 0.00 C ATOM 815 O ARG A 59 6.796 4.782 -1.055 1.00 0.00 O ATOM 816 CB ARG A 59 7.984 7.820 -0.696 1.00 0.00 C ATOM 817 CG ARG A 59 7.786 9.297 -0.398 1.00 0.00 C ATOM 818 CD ARG A 59 8.455 10.172 -1.447 1.00 0.00 C ATOM 819 NE ARG A 59 8.094 11.579 -1.297 1.00 0.00 N ATOM 820 CZ ARG A 59 8.673 12.397 -0.425 1.00 0.00 C ATOM 821 NH1 ARG A 59 9.634 11.950 0.372 1.00 0.00 N ATOM 822 NH2 ARG A 59 8.290 13.665 -0.348 1.00 0.00 N ATOM 0 H ARG A 59 7.887 7.538 1.834 1.00 0.00 H new ATOM 0 HA ARG A 59 5.996 7.078 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.001 7.537 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.883 7.658 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.720 9.522 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.195 9.529 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.537 10.065 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.169 9.828 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 59 7.357 11.954 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.931 10.976 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.077 12.581 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.550 14.012 -0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.735 14.292 0.322 1.00 0.00 H new ATOM 836 N CYS A 60 8.333 4.956 0.579 1.00 0.00 N ATOM 837 CA CYS A 60 8.782 3.573 0.455 1.00 0.00 C ATOM 838 C CYS A 60 7.940 2.649 1.328 1.00 0.00 C ATOM 839 O CYS A 60 7.105 3.105 2.110 1.00 0.00 O ATOM 840 CB CYS A 60 10.257 3.457 0.842 1.00 0.00 C ATOM 841 SG CYS A 60 11.311 4.740 0.126 1.00 0.00 S ATOM 0 H CYS A 60 8.818 5.494 1.298 1.00 0.00 H new ATOM 0 HA CYS A 60 8.663 3.269 -0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.341 3.497 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.628 2.481 0.530 1.00 0.00 H new ATOM 0 HG CYS A 60 12.539 4.559 0.513 1.00 0.00 H new ATOM 847 N CYS A 61 8.164 1.346 1.189 1.00 0.00 N ATOM 848 CA CYS A 61 7.426 0.356 1.963 1.00 0.00 C ATOM 849 C CYS A 61 7.788 0.441 3.443 1.00 0.00 C ATOM 850 O CYS A 61 8.730 1.136 3.822 1.00 0.00 O ATOM 851 CB CYS A 61 7.714 -1.052 1.436 1.00 0.00 C ATOM 852 SG CYS A 61 6.517 -2.310 1.985 1.00 0.00 S ATOM 0 H CYS A 61 8.851 0.952 0.547 1.00 0.00 H new ATOM 0 HA CYS A 61 6.362 0.567 1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.723 -1.026 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.712 -1.351 1.756 1.00 0.00 H new ATOM 0 HG CYS A 61 5.958 -2.859 0.948 1.00 0.00 H new ATOM 857 N GLU A 62 7.032 -0.271 4.273 1.00 0.00 N ATOM 858 CA GLU A 62 7.274 -0.275 5.711 1.00 0.00 C ATOM 859 C GLU A 62 8.158 -1.452 6.111 1.00 0.00 C ATOM 860 O GLU A 62 8.882 -1.390 7.106 1.00 0.00 O ATOM 861 CB GLU A 62 5.948 -0.335 6.473 1.00 0.00 C ATOM 862 CG GLU A 62 4.981 -1.373 5.929 1.00 0.00 C ATOM 863 CD GLU A 62 4.030 -1.896 6.989 1.00 0.00 C ATOM 864 OE1 GLU A 62 4.400 -2.859 7.694 1.00 0.00 O ATOM 865 OE2 GLU A 62 2.917 -1.345 7.113 1.00 0.00 O ATOM 0 H GLU A 62 6.248 -0.852 3.975 1.00 0.00 H new ATOM 0 HA GLU A 62 7.792 0.649 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.151 -0.553 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.473 0.646 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.405 -0.936 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.546 -2.206 5.510 1.00 0.00 H new ATOM 872 N LEU A 63 8.092 -2.525 5.331 1.00 0.00 N ATOM 873 CA LEU A 63 8.886 -3.719 5.603 1.00 0.00 C ATOM 874 C LEU A 63 10.052 -3.831 4.626 1.00 0.00 C ATOM 875 O LEU A 63 11.215 -3.854 5.031 1.00 0.00 O ATOM 876 CB LEU A 63 8.009 -4.969 5.514 1.00 0.00 C ATOM 877 CG LEU A 63 6.752 -4.970 6.385 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.691 -5.882 5.788 1.00 0.00 C ATOM 879 CD2 LEU A 63 7.088 -5.398 7.806 1.00 0.00 C ATOM 0 H LEU A 63 7.497 -2.593 4.505 1.00 0.00 H new ATOM 0 HA LEU A 63 9.289 -3.636 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.707 -5.104 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.615 -5.834 5.784 1.00 0.00 H new ATOM 0 HG LEU A 63 6.354 -3.956 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.804 -5.871 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.429 -5.531 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.079 -6.899 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.182 -5.393 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.510 -6.403 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.813 -4.705 8.233 1.00 0.00 H new ATOM 891 N CYS A 64 9.734 -3.900 3.338 1.00 0.00 N ATOM 892 CA CYS A 64 10.754 -4.009 2.302 1.00 0.00 C ATOM 893 C CYS A 64 11.325 -2.636 1.955 1.00 0.00 C ATOM 894 O CYS A 64 12.242 -2.520 1.142 1.00 0.00 O ATOM 895 CB CYS A 64 10.171 -4.663 1.048 1.00 0.00 C ATOM 896 SG CYS A 64 9.097 -3.565 0.069 1.00 0.00 S ATOM 0 H CYS A 64 8.777 -3.882 2.986 1.00 0.00 H new ATOM 0 HA CYS A 64 11.561 -4.633 2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.990 -5.009 0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.601 -5.544 1.342 1.00 0.00 H new ATOM 0 HG CYS A 64 8.037 -3.266 0.760 1.00 0.00 H new ATOM 901 N LYS A 65 10.776 -1.599 2.578 1.00 0.00 N ATOM 902 CA LYS A 65 11.229 -0.234 2.337 1.00 0.00 C ATOM 903 C LYS A 65 11.499 -0.004 0.854 1.00 0.00 C ATOM 904 O LYS A 65 12.456 0.679 0.485 1.00 0.00 O ATOM 905 CB LYS A 65 12.495 0.055 3.148 1.00 0.00 C ATOM 906 CG LYS A 65 12.232 0.286 4.625 1.00 0.00 C ATOM 907 CD LYS A 65 11.753 -0.983 5.312 1.00 0.00 C ATOM 908 CE LYS A 65 12.162 -1.012 6.777 1.00 0.00 C ATOM 909 NZ LYS A 65 11.579 0.128 7.537 1.00 0.00 N ATOM 0 H LYS A 65 10.016 -1.678 3.254 1.00 0.00 H new ATOM 0 HA LYS A 65 10.438 0.446 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.186 -0.781 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.989 0.934 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.144 0.640 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.484 1.070 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.668 -1.053 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.165 -1.853 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.839 -1.951 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.249 -0.980 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.867 0.064 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.921 1.024 7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.542 0.093 7.473 1.00 0.00 H new ATOM 923 N TYR A 66 10.650 -0.576 0.007 1.00 0.00 N ATOM 924 CA TYR A 66 10.798 -0.433 -1.436 1.00 0.00 C ATOM 925 C TYR A 66 10.117 0.839 -1.931 1.00 0.00 C ATOM 926 O TYR A 66 8.951 1.089 -1.629 1.00 0.00 O ATOM 927 CB TYR A 66 10.211 -1.650 -2.153 1.00 0.00 C ATOM 928 CG TYR A 66 10.214 -1.526 -3.660 1.00 0.00 C ATOM 929 CD1 TYR A 66 9.360 -0.640 -4.305 1.00 0.00 C ATOM 930 CD2 TYR A 66 11.072 -2.294 -4.438 1.00 0.00 C ATOM 931 CE1 TYR A 66 9.359 -0.524 -5.682 1.00 0.00 C ATOM 932 CE2 TYR A 66 11.079 -2.183 -5.815 1.00 0.00 C ATOM 933 CZ TYR A 66 10.221 -1.297 -6.432 1.00 0.00 C ATOM 934 OH TYR A 66 10.224 -1.183 -7.804 1.00 0.00 O ATOM 0 H TYR A 66 9.852 -1.143 0.295 1.00 0.00 H new ATOM 0 HA TYR A 66 11.862 -0.365 -1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.778 -2.537 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.187 -1.803 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.686 -0.032 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.745 -2.989 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.687 0.168 -6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.753 -2.787 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 66 10.889 -1.795 -8.182 1.00 0.00 H new ATOM 944 N GLU A 67 10.855 1.640 -2.693 1.00 0.00 N ATOM 945 CA GLU A 67 10.323 2.887 -3.230 1.00 0.00 C ATOM 946 C GLU A 67 9.141 2.620 -4.158 1.00 0.00 C ATOM 947 O GLU A 67 9.308 2.094 -5.258 1.00 0.00 O ATOM 948 CB GLU A 67 11.414 3.651 -3.983 1.00 0.00 C ATOM 949 CG GLU A 67 11.191 5.153 -4.020 1.00 0.00 C ATOM 950 CD GLU A 67 12.417 5.914 -4.485 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.542 5.475 -4.170 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.251 6.949 -5.165 1.00 0.00 O ATOM 0 H GLU A 67 11.823 1.448 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 67 9.976 3.494 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.377 3.447 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.470 3.275 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.356 5.376 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.909 5.499 -3.026 1.00 0.00 H new ATOM 959 N PHE A 68 7.947 2.985 -3.705 1.00 0.00 N ATOM 960 CA PHE A 68 6.736 2.784 -4.492 1.00 0.00 C ATOM 961 C PHE A 68 6.818 3.537 -5.817 1.00 0.00 C ATOM 962 O PHE A 68 7.273 4.680 -5.867 1.00 0.00 O ATOM 963 CB PHE A 68 5.508 3.247 -3.706 1.00 0.00 C ATOM 964 CG PHE A 68 5.276 2.466 -2.444 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.479 1.096 -2.414 1.00 0.00 C ATOM 966 CD2 PHE A 68 4.853 3.102 -1.288 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.267 0.374 -1.254 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.639 2.386 -0.125 1.00 0.00 C ATOM 969 CZ PHE A 68 4.845 1.021 -0.108 1.00 0.00 C ATOM 0 H PHE A 68 7.792 3.422 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 68 6.643 1.719 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.623 4.302 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.627 3.165 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.807 0.586 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.689 4.169 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.431 -0.693 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.311 2.894 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.677 0.460 0.799 1.00 0.00 H new ATOM 979 N ILE A 69 6.376 2.886 -6.888 1.00 0.00 N ATOM 980 CA ILE A 69 6.399 3.493 -8.213 1.00 0.00 C ATOM 981 C ILE A 69 5.261 4.495 -8.379 1.00 0.00 C ATOM 982 O ILE A 69 4.146 4.127 -8.750 1.00 0.00 O ATOM 983 CB ILE A 69 6.296 2.429 -9.322 1.00 0.00 C ATOM 984 CG1 ILE A 69 7.519 1.510 -9.292 1.00 0.00 C ATOM 985 CG2 ILE A 69 6.159 3.094 -10.683 1.00 0.00 C ATOM 986 CD1 ILE A 69 7.302 0.191 -9.999 1.00 0.00 C ATOM 0 H ILE A 69 5.998 1.939 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 69 7.353 4.012 -8.305 1.00 0.00 H new ATOM 0 HB ILE A 69 5.407 1.825 -9.144 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.362 2.025 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.792 1.316 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.087 2.329 -11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.260 3.710 -10.698 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.031 3.720 -10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.210 -0.409 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.480 -0.345 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.059 0.375 -11.046 1.00 0.00 H new