USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.38 USER MOD Set 2.2: A 77 SER OG : rot 118:sc= 0.0687 USER MOD Set 3.1: A 30 SER OG : rot 90:sc= -0.646 USER MOD Set 3.2: A 33 SER OG : rot -130:sc= -1.28 USER MOD Single : A 16 SER OG : rot 25:sc= 0.00835 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00283 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.06 K(o=-1.1,f=-8.7!) USER MOD Single : A 49 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.86) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.518 (180deg=-1.52!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -24:sc= -1.93 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.407 USER MOD Single : A 89 TYR OH : rot -155:sc= -1.47 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.18! C(o=-6.2!,f=-21!) USER MOD Single : A 98 MET CE :methyl -148:sc= -0.189 (180deg=-2.27!) USER MOD Single : A 102 SER OG : rot 84:sc= 0.812 USER MOD Single : A 105 SER OG : rot 100:sc= 0.889 USER MOD Single : A 108 SER OG : rot 94:sc= -1.2 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.520 -13.222 -2.088 1.00 0.00 N ATOM 170 CA LEU A 15 -19.133 -13.018 -1.688 1.00 0.00 C ATOM 171 C LEU A 15 -18.901 -11.577 -1.244 1.00 0.00 C ATOM 172 O LEU A 15 -19.838 -10.781 -1.169 1.00 0.00 O ATOM 173 CB LEU A 15 -18.191 -13.366 -2.841 1.00 0.00 C ATOM 174 CG LEU A 15 -17.884 -14.851 -3.032 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.463 -15.130 -4.467 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.803 -15.301 -2.061 1.00 0.00 C ATOM 0 HA LEU A 15 -18.924 -13.677 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.624 -12.983 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.250 -12.838 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.791 -15.419 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.249 -16.192 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.269 -14.846 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.570 -14.552 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.597 -16.361 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.894 -14.726 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.142 -15.139 -1.038 1.00 0.00 H new ATOM 188 N SER A 16 -17.647 -11.246 -0.953 1.00 0.00 N ATOM 189 CA SER A 16 -17.292 -9.902 -0.515 1.00 0.00 C ATOM 190 C SER A 16 -15.917 -9.503 -1.043 1.00 0.00 C ATOM 191 O SER A 16 -15.109 -10.344 -1.438 1.00 0.00 O ATOM 192 CB SER A 16 -17.309 -9.818 1.011 1.00 0.00 C ATOM 193 OG SER A 16 -18.590 -9.439 1.488 1.00 0.00 O ATOM 0 H SER A 16 -16.859 -11.891 -1.013 1.00 0.00 H new ATOM 0 HA SER A 16 -18.031 -9.209 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.031 -10.783 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.564 -9.096 1.347 1.00 0.00 H new ATOM 0 HG SER A 16 -19.271 -9.682 0.826 1.00 0.00 H new ATOM 199 N PRO A 17 -15.644 -8.190 -1.049 1.00 0.00 N ATOM 200 CA PRO A 17 -14.366 -7.650 -1.524 1.00 0.00 C ATOM 201 C PRO A 17 -13.210 -7.986 -0.588 1.00 0.00 C ATOM 202 O PRO A 17 -13.403 -8.482 0.522 1.00 0.00 O ATOM 203 CB PRO A 17 -14.609 -6.139 -1.553 1.00 0.00 C ATOM 204 CG PRO A 17 -15.686 -5.910 -0.549 1.00 0.00 C ATOM 205 CD PRO A 17 -16.560 -7.133 -0.592 1.00 0.00 C ATOM 0 HA PRO A 17 -14.080 -8.069 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.705 -5.587 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.915 -5.806 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.267 -5.765 0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.258 -5.013 -0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.980 -7.361 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.398 -7.004 -1.277 1.00 0.00 H new ATOM 213 N PRO A 18 -11.980 -7.711 -1.044 1.00 0.00 N ATOM 214 CA PRO A 18 -10.768 -7.975 -0.261 1.00 0.00 C ATOM 215 C PRO A 18 -10.639 -7.043 0.939 1.00 0.00 C ATOM 216 O PRO A 18 -11.205 -5.951 0.951 1.00 0.00 O ATOM 217 CB PRO A 18 -9.638 -7.720 -1.261 1.00 0.00 C ATOM 218 CG PRO A 18 -10.216 -6.771 -2.253 1.00 0.00 C ATOM 219 CD PRO A 18 -11.675 -7.120 -2.358 1.00 0.00 C ATOM 0 HA PRO A 18 -10.765 -8.981 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.763 -7.294 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.316 -8.645 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.084 -5.739 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.721 -6.867 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.286 -6.239 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.862 -7.824 -3.169 1.00 0.00 H new ATOM 227 N GLU A 19 -9.889 -7.482 1.944 1.00 0.00 N ATOM 228 CA GLU A 19 -9.686 -6.687 3.149 1.00 0.00 C ATOM 229 C GLU A 19 -8.358 -5.937 3.089 1.00 0.00 C ATOM 230 O GLU A 19 -7.572 -6.121 2.161 1.00 0.00 O ATOM 231 CB GLU A 19 -9.724 -7.580 4.392 1.00 0.00 C ATOM 232 CG GLU A 19 -8.380 -8.200 4.736 1.00 0.00 C ATOM 233 CD GLU A 19 -8.409 -8.966 6.044 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.575 -8.327 7.103 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.266 -10.206 6.007 1.00 0.00 O ATOM 0 H GLU A 19 -9.412 -8.384 1.948 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.494 -5.958 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.072 -6.992 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.453 -8.376 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.078 -8.872 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.626 -7.415 4.796 1.00 0.00 H new ATOM 242 N ALA A 20 -8.118 -5.090 4.086 1.00 0.00 N ATOM 243 CA ALA A 20 -6.886 -4.313 4.147 1.00 0.00 C ATOM 244 C ALA A 20 -5.682 -5.213 4.404 1.00 0.00 C ATOM 245 O ALA A 20 -5.628 -5.954 5.387 1.00 0.00 O ATOM 246 CB ALA A 20 -6.989 -3.245 5.226 1.00 0.00 C ATOM 0 H ALA A 20 -8.760 -4.925 4.861 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.744 -3.827 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.062 -2.672 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.820 -2.577 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.159 -3.719 6.193 1.00 0.00 H new ATOM 252 N PRO A 21 -4.692 -5.151 3.501 1.00 0.00 N ATOM 253 CA PRO A 21 -3.470 -5.954 3.610 1.00 0.00 C ATOM 254 C PRO A 21 -2.580 -5.503 4.763 1.00 0.00 C ATOM 255 O PRO A 21 -2.715 -4.386 5.263 1.00 0.00 O ATOM 256 CB PRO A 21 -2.770 -5.717 2.269 1.00 0.00 C ATOM 257 CG PRO A 21 -3.273 -4.393 1.808 1.00 0.00 C ATOM 258 CD PRO A 21 -4.688 -4.291 2.307 1.00 0.00 C ATOM 0 HA PRO A 21 -3.688 -7.002 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.686 -5.711 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.010 -6.503 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.660 -3.583 2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.236 -4.318 0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.955 -3.263 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.403 -4.637 1.561 1.00 0.00 H new ATOM 266 N ASP A 22 -1.672 -6.377 5.179 1.00 0.00 N ATOM 267 CA ASP A 22 -0.758 -6.068 6.273 1.00 0.00 C ATOM 268 C ASP A 22 -0.093 -4.712 6.059 1.00 0.00 C ATOM 269 O ASP A 22 -0.277 -4.076 5.020 1.00 0.00 O ATOM 270 CB ASP A 22 0.309 -7.158 6.397 1.00 0.00 C ATOM 271 CG ASP A 22 0.860 -7.269 7.805 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.088 -7.631 8.718 1.00 0.00 O ATOM 273 OD2 ASP A 22 2.063 -6.993 7.995 1.00 0.00 O ATOM 0 H ASP A 22 -1.548 -7.306 4.776 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.336 -6.028 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.118 -8.116 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.125 -6.945 5.706 1.00 0.00 H new ATOM 278 N ARG A 23 0.677 -4.272 7.049 1.00 0.00 N ATOM 279 CA ARG A 23 1.365 -2.990 6.970 1.00 0.00 C ATOM 280 C ARG A 23 2.641 -3.107 6.142 1.00 0.00 C ATOM 281 O ARG A 23 3.533 -3.902 6.440 1.00 0.00 O ATOM 282 CB ARG A 23 1.701 -2.480 8.373 1.00 0.00 C ATOM 283 CG ARG A 23 2.394 -1.127 8.380 1.00 0.00 C ATOM 284 CD ARG A 23 2.313 -0.467 9.748 1.00 0.00 C ATOM 285 NE ARG A 23 3.421 -0.863 10.613 1.00 0.00 N ATOM 286 CZ ARG A 23 3.432 -0.672 11.927 1.00 0.00 C ATOM 287 NH1 ARG A 23 2.399 -0.094 12.525 1.00 0.00 N ATOM 288 NH2 ARG A 23 4.477 -1.061 12.647 1.00 0.00 N ATOM 0 H ARG A 23 0.840 -4.785 7.915 1.00 0.00 H new ATOM 0 HA ARG A 23 0.699 -2.279 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.782 -2.411 8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.340 -3.209 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.439 -1.251 8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.935 -0.478 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.316 0.616 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.369 -0.733 10.223 1.00 0.00 H new ATOM 0 HE ARG A 23 4.231 -1.311 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.593 0.205 11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.410 0.051 13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.273 -1.507 12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.484 -0.914 13.656 1.00 0.00 H new ATOM 302 N PRO A 24 2.730 -2.300 5.074 1.00 0.00 N ATOM 303 CA PRO A 24 3.892 -2.295 4.181 1.00 0.00 C ATOM 304 C PRO A 24 5.134 -1.714 4.847 1.00 0.00 C ATOM 305 O PRO A 24 5.046 -0.765 5.628 1.00 0.00 O ATOM 306 CB PRO A 24 3.442 -1.405 3.019 1.00 0.00 C ATOM 307 CG PRO A 24 2.402 -0.514 3.606 1.00 0.00 C ATOM 308 CD PRO A 24 1.704 -1.329 4.659 1.00 0.00 C ATOM 0 HA PRO A 24 4.178 -3.303 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.275 -0.829 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.038 -1.999 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.853 0.379 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.700 -0.179 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.375 -0.710 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.818 -1.825 4.262 1.00 0.00 H new ATOM 316 N THR A 25 6.291 -2.288 4.535 1.00 0.00 N ATOM 317 CA THR A 25 7.552 -1.828 5.105 1.00 0.00 C ATOM 318 C THR A 25 8.248 -0.843 4.174 1.00 0.00 C ATOM 319 O THR A 25 7.888 -0.721 3.002 1.00 0.00 O ATOM 320 CB THR A 25 8.501 -3.005 5.391 1.00 0.00 C ATOM 321 OG1 THR A 25 9.536 -2.593 6.292 1.00 0.00 O ATOM 322 CG2 THR A 25 9.123 -3.526 4.104 1.00 0.00 C ATOM 0 H THR A 25 6.382 -3.073 3.890 1.00 0.00 H new ATOM 0 HA THR A 25 7.312 -1.329 6.044 1.00 0.00 H new ATOM 0 HB THR A 25 7.920 -3.807 5.846 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.134 -3.348 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.790 -4.357 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.336 -3.866 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.690 -2.728 3.625 1.00 0.00 H new ATOM 330 N ILE A 26 9.246 -0.142 4.700 1.00 0.00 N ATOM 331 CA ILE A 26 9.995 0.832 3.914 1.00 0.00 C ATOM 332 C ILE A 26 11.494 0.564 3.988 1.00 0.00 C ATOM 333 O ILE A 26 12.067 0.487 5.075 1.00 0.00 O ATOM 334 CB ILE A 26 9.718 2.271 4.389 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.261 2.412 4.838 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.034 3.264 3.281 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.268 1.834 3.855 1.00 0.00 C ATOM 0 H ILE A 26 9.555 -0.230 5.668 1.00 0.00 H new ATOM 0 HA ILE A 26 9.661 0.728 2.882 1.00 0.00 H new ATOM 0 HB ILE A 26 10.364 2.488 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.137 1.917 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.037 3.468 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.833 4.276 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.085 3.178 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.411 3.051 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.256 1.969 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.365 2.345 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.466 0.771 3.720 1.00 0.00 H new ATOM 349 N SER A 27 12.123 0.423 2.827 1.00 0.00 N ATOM 350 CA SER A 27 13.556 0.162 2.759 1.00 0.00 C ATOM 351 C SER A 27 14.234 1.101 1.768 1.00 0.00 C ATOM 352 O SER A 27 13.571 1.773 0.977 1.00 0.00 O ATOM 353 CB SER A 27 13.812 -1.293 2.359 1.00 0.00 C ATOM 354 OG SER A 27 15.058 -1.747 2.856 1.00 0.00 O ATOM 0 H SER A 27 11.663 0.485 1.919 1.00 0.00 H new ATOM 0 HA SER A 27 13.980 0.340 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.012 -1.925 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.796 -1.383 1.273 1.00 0.00 H new ATOM 0 HG SER A 27 15.197 -2.679 2.588 1.00 0.00 H new ATOM 360 N THR A 28 15.562 1.143 1.815 1.00 0.00 N ATOM 361 CA THR A 28 16.332 2.001 0.922 1.00 0.00 C ATOM 362 C THR A 28 16.497 1.358 -0.450 1.00 0.00 C ATOM 363 O THR A 28 17.254 0.402 -0.611 1.00 0.00 O ATOM 364 CB THR A 28 17.724 2.310 1.503 1.00 0.00 C ATOM 365 OG1 THR A 28 17.610 2.673 2.884 1.00 0.00 O ATOM 366 CG2 THR A 28 18.395 3.436 0.731 1.00 0.00 C ATOM 0 H THR A 28 16.127 0.593 2.462 1.00 0.00 H new ATOM 0 HA THR A 28 15.775 2.932 0.819 1.00 0.00 H new ATOM 0 HB THR A 28 18.337 1.413 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.500 2.866 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.377 3.636 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.508 3.144 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.782 4.335 0.793 1.00 0.00 H new ATOM 374 N ALA A 29 15.784 1.891 -1.437 1.00 0.00 N ATOM 375 CA ALA A 29 15.855 1.371 -2.797 1.00 0.00 C ATOM 376 C ALA A 29 16.539 2.365 -3.730 1.00 0.00 C ATOM 377 O ALA A 29 17.272 1.974 -4.638 1.00 0.00 O ATOM 378 CB ALA A 29 14.460 1.038 -3.307 1.00 0.00 C ATOM 0 H ALA A 29 15.151 2.682 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 29 16.452 0.459 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.527 0.651 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.006 0.286 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.846 1.939 -3.302 1.00 0.00 H new ATOM 384 N SER A 30 16.293 3.650 -3.500 1.00 0.00 N ATOM 385 CA SER A 30 16.881 4.701 -4.324 1.00 0.00 C ATOM 386 C SER A 30 16.753 6.060 -3.645 1.00 0.00 C ATOM 387 O SER A 30 16.213 6.167 -2.544 1.00 0.00 O ATOM 388 CB SER A 30 16.208 4.738 -5.698 1.00 0.00 C ATOM 389 OG SER A 30 15.910 3.431 -6.155 1.00 0.00 O ATOM 0 H SER A 30 15.691 3.989 -2.750 1.00 0.00 H new ATOM 0 HA SER A 30 17.940 4.478 -4.452 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.291 5.325 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.862 5.237 -6.413 1.00 0.00 H new ATOM 0 HG SER A 30 15.016 3.173 -5.848 1.00 0.00 H new ATOM 395 N GLU A 31 17.251 7.097 -4.310 1.00 0.00 N ATOM 396 CA GLU A 31 17.194 8.450 -3.770 1.00 0.00 C ATOM 397 C GLU A 31 15.839 9.092 -4.056 1.00 0.00 C ATOM 398 O GLU A 31 15.447 10.060 -3.403 1.00 0.00 O ATOM 399 CB GLU A 31 18.312 9.308 -4.365 1.00 0.00 C ATOM 400 CG GLU A 31 18.352 9.289 -5.883 1.00 0.00 C ATOM 401 CD GLU A 31 19.223 8.174 -6.430 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.152 7.743 -5.714 1.00 0.00 O ATOM 403 OE2 GLU A 31 18.973 7.730 -7.570 1.00 0.00 O ATOM 0 H GLU A 31 17.699 7.026 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 31 17.328 8.389 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.188 10.337 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.270 8.959 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.339 9.175 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.725 10.247 -6.245 1.00 0.00 H new ATOM 410 N THR A 32 15.126 8.545 -5.036 1.00 0.00 N ATOM 411 CA THR A 32 13.817 9.064 -5.410 1.00 0.00 C ATOM 412 C THR A 32 12.738 7.999 -5.251 1.00 0.00 C ATOM 413 O THR A 32 11.557 8.258 -5.485 1.00 0.00 O ATOM 414 CB THR A 32 13.808 9.574 -6.864 1.00 0.00 C ATOM 415 OG1 THR A 32 14.511 8.657 -7.709 1.00 0.00 O ATOM 416 CG2 THR A 32 14.449 10.950 -6.958 1.00 0.00 C ATOM 0 H THR A 32 15.434 7.742 -5.585 1.00 0.00 H new ATOM 0 HA THR A 32 13.604 9.897 -4.740 1.00 0.00 H new ATOM 0 HB THR A 32 12.772 9.649 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.499 8.987 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.431 11.290 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.895 11.653 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.481 10.895 -6.612 1.00 0.00 H new ATOM 424 N SER A 33 13.150 6.800 -4.851 1.00 0.00 N ATOM 425 CA SER A 33 12.218 5.695 -4.663 1.00 0.00 C ATOM 426 C SER A 33 12.583 4.880 -3.426 1.00 0.00 C ATOM 427 O SER A 33 13.637 5.083 -2.824 1.00 0.00 O ATOM 428 CB SER A 33 12.211 4.791 -5.899 1.00 0.00 C ATOM 429 OG SER A 33 13.328 3.919 -5.898 1.00 0.00 O ATOM 0 H SER A 33 14.123 6.569 -4.651 1.00 0.00 H new ATOM 0 HA SER A 33 11.221 6.113 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.290 4.208 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.224 5.403 -6.801 1.00 0.00 H new ATOM 0 HG SER A 33 13.779 3.964 -6.767 1.00 0.00 H new ATOM 435 N VAL A 34 11.703 3.958 -3.052 1.00 0.00 N ATOM 436 CA VAL A 34 11.930 3.111 -1.887 1.00 0.00 C ATOM 437 C VAL A 34 11.273 1.747 -2.062 1.00 0.00 C ATOM 438 O VAL A 34 10.226 1.627 -2.698 1.00 0.00 O ATOM 439 CB VAL A 34 11.392 3.768 -0.602 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.143 5.057 -0.304 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.897 4.028 -0.724 1.00 0.00 C ATOM 0 H VAL A 34 10.825 3.778 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 34 13.008 2.981 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 34 11.553 3.083 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.748 5.506 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.203 4.838 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.017 5.752 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.533 4.492 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.711 4.693 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.376 3.084 -0.885 1.00 0.00 H new ATOM 451 N TYR A 35 11.894 0.720 -1.492 1.00 0.00 N ATOM 452 CA TYR A 35 11.371 -0.637 -1.587 1.00 0.00 C ATOM 453 C TYR A 35 10.290 -0.879 -0.536 1.00 0.00 C ATOM 454 O TYR A 35 10.538 -0.764 0.664 1.00 0.00 O ATOM 455 CB TYR A 35 12.500 -1.654 -1.416 1.00 0.00 C ATOM 456 CG TYR A 35 13.355 -1.824 -2.652 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.777 -2.036 -3.897 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.741 -1.769 -2.574 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.554 -2.191 -5.029 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.526 -1.922 -3.700 1.00 0.00 C ATOM 461 CZ TYR A 35 14.928 -2.133 -4.925 1.00 0.00 C ATOM 462 OH TYR A 35 15.706 -2.286 -6.050 1.00 0.00 O ATOM 0 H TYR A 35 12.760 0.802 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 35 10.927 -0.760 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.134 -1.344 -0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.071 -2.619 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.701 -2.080 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.213 -1.604 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.088 -2.357 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.602 -1.877 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 35 16.652 -2.218 -5.805 1.00 0.00 H new ATOM 472 N VAL A 36 9.090 -1.216 -0.998 1.00 0.00 N ATOM 473 CA VAL A 36 7.971 -1.476 -0.100 1.00 0.00 C ATOM 474 C VAL A 36 7.515 -2.928 -0.197 1.00 0.00 C ATOM 475 O VAL A 36 7.313 -3.456 -1.292 1.00 0.00 O ATOM 476 CB VAL A 36 6.778 -0.553 -0.409 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.584 -0.913 0.463 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.169 0.905 -0.215 1.00 0.00 C ATOM 0 H VAL A 36 8.868 -1.315 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 36 8.323 -1.276 0.912 1.00 0.00 H new ATOM 0 HB VAL A 36 6.492 -0.694 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.751 -0.250 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.291 -1.945 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.854 -0.802 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.314 1.544 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.481 1.064 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.992 1.153 -0.885 1.00 0.00 H new ATOM 488 N THR A 37 7.354 -3.570 0.955 1.00 0.00 N ATOM 489 CA THR A 37 6.922 -4.962 1.002 1.00 0.00 C ATOM 490 C THR A 37 5.731 -5.137 1.937 1.00 0.00 C ATOM 491 O THR A 37 5.816 -4.835 3.127 1.00 0.00 O ATOM 492 CB THR A 37 8.062 -5.889 1.460 1.00 0.00 C ATOM 493 OG1 THR A 37 9.195 -5.736 0.598 1.00 0.00 O ATOM 494 CG2 THR A 37 7.612 -7.342 1.461 1.00 0.00 C ATOM 0 H THR A 37 7.516 -3.148 1.869 1.00 0.00 H new ATOM 0 HA THR A 37 6.627 -5.236 -0.011 1.00 0.00 H new ATOM 0 HB THR A 37 8.339 -5.611 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.916 -6.328 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.435 -7.978 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.769 -7.461 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.309 -7.630 0.454 1.00 0.00 H new ATOM 502 N TRP A 38 4.623 -5.626 1.391 1.00 0.00 N ATOM 503 CA TRP A 38 3.415 -5.842 2.179 1.00 0.00 C ATOM 504 C TRP A 38 3.004 -7.310 2.153 1.00 0.00 C ATOM 505 O TRP A 38 3.551 -8.105 1.388 1.00 0.00 O ATOM 506 CB TRP A 38 2.275 -4.972 1.651 1.00 0.00 C ATOM 507 CG TRP A 38 1.815 -5.363 0.279 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.721 -6.118 -0.034 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.438 -5.020 -0.964 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.625 -6.265 -1.397 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.667 -5.601 -1.990 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.570 -4.279 -1.310 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.994 -5.463 -3.336 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.893 -4.142 -2.647 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.108 -4.731 -3.646 1.00 0.00 C ATOM 0 H TRP A 38 4.536 -5.880 0.407 1.00 0.00 H new ATOM 0 HA TRP A 38 3.629 -5.562 3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.432 -5.033 2.340 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.599 -3.931 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 38 0.032 -6.538 0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.103 -6.784 -1.888 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.182 -3.821 -0.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.390 -5.917 -4.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.766 -3.571 -2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.387 -4.605 -4.682 1.00 0.00 H new ATOM 526 N ILE A 39 2.037 -7.665 2.994 1.00 0.00 N ATOM 527 CA ILE A 39 1.553 -9.037 3.065 1.00 0.00 C ATOM 528 C ILE A 39 0.029 -9.082 3.087 1.00 0.00 C ATOM 529 O ILE A 39 -0.614 -8.691 4.062 1.00 0.00 O ATOM 530 CB ILE A 39 2.095 -9.762 4.311 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.617 -9.620 4.388 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.695 -11.229 4.287 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.353 -10.421 3.338 1.00 0.00 C ATOM 0 H ILE A 39 1.574 -7.021 3.635 1.00 0.00 H new ATOM 0 HA ILE A 39 1.916 -9.546 2.172 1.00 0.00 H new ATOM 0 HB ILE A 39 1.660 -9.302 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.881 -8.568 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.954 -9.935 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.086 -11.727 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.608 -11.310 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.104 -11.703 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.427 -10.272 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.119 -11.479 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.045 -10.090 2.346 1.00 0.00 H new ATOM 545 N PRO A 40 -0.565 -9.573 1.990 1.00 0.00 N ATOM 546 CA PRO A 40 -2.021 -9.683 1.859 1.00 0.00 C ATOM 547 C PRO A 40 -2.605 -10.754 2.773 1.00 0.00 C ATOM 548 O PRO A 40 -2.044 -11.842 2.907 1.00 0.00 O ATOM 549 CB PRO A 40 -2.218 -10.066 0.391 1.00 0.00 C ATOM 550 CG PRO A 40 -0.946 -10.736 0.001 1.00 0.00 C ATOM 551 CD PRO A 40 0.139 -10.057 0.790 1.00 0.00 C ATOM 0 HA PRO A 40 -2.527 -8.760 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.071 -10.733 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.408 -9.187 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.982 -11.802 0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.767 -10.641 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.942 -10.748 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.590 -9.237 0.231 1.00 0.00 H new ATOM 559 N ARG A 41 -3.735 -10.440 3.399 1.00 0.00 N ATOM 560 CA ARG A 41 -4.395 -11.378 4.301 1.00 0.00 C ATOM 561 C ARG A 41 -5.611 -12.010 3.632 1.00 0.00 C ATOM 562 O ARG A 41 -5.610 -13.200 3.314 1.00 0.00 O ATOM 563 CB ARG A 41 -4.818 -10.667 5.588 1.00 0.00 C ATOM 564 CG ARG A 41 -3.869 -9.559 6.012 1.00 0.00 C ATOM 565 CD ARG A 41 -2.467 -10.091 6.263 1.00 0.00 C ATOM 566 NE ARG A 41 -2.268 -10.473 7.659 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.328 -11.320 8.063 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.505 -11.870 7.183 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.210 -11.617 9.352 1.00 0.00 N ATOM 0 H ARG A 41 -4.212 -9.544 3.299 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.686 -12.169 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.815 -10.247 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.889 -11.400 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.835 -8.792 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.246 -9.082 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.287 -10.954 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.736 -9.331 5.988 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.885 -10.067 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.592 -11.643 6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.216 -12.520 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.842 -11.195 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.488 -12.268 9.661 1.00 0.00 H new ATOM 583 N GLY A 42 -6.649 -11.207 3.420 1.00 0.00 N ATOM 584 CA GLY A 42 -7.858 -11.705 2.792 1.00 0.00 C ATOM 585 C GLY A 42 -8.023 -11.203 1.371 1.00 0.00 C ATOM 586 O GLY A 42 -7.436 -10.190 0.993 1.00 0.00 O ATOM 0 H GLY A 42 -6.674 -10.219 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.840 -12.795 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.722 -11.402 3.384 1.00 0.00 H new ATOM 590 N ASN A 43 -8.823 -11.914 0.582 1.00 0.00 N ATOM 591 CA ASN A 43 -9.060 -11.535 -0.806 1.00 0.00 C ATOM 592 C ASN A 43 -10.553 -11.367 -1.075 1.00 0.00 C ATOM 593 O ASN A 43 -10.968 -11.148 -2.212 1.00 0.00 O ATOM 594 CB ASN A 43 -8.476 -12.586 -1.751 1.00 0.00 C ATOM 595 CG ASN A 43 -9.082 -13.959 -1.534 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.806 -14.185 -0.565 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.788 -14.885 -2.440 1.00 0.00 N ATOM 0 H ASN A 43 -9.317 -12.755 0.880 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.565 -10.580 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.644 -12.277 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.397 -12.641 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.167 -15.827 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.183 -14.654 -3.228 1.00 0.00 H new ATOM 604 N GLY A 44 -11.355 -11.471 -0.020 1.00 0.00 N ATOM 605 CA GLY A 44 -12.791 -11.327 -0.163 1.00 0.00 C ATOM 606 C GLY A 44 -13.456 -12.598 -0.654 1.00 0.00 C ATOM 607 O GLY A 44 -14.670 -12.640 -0.842 1.00 0.00 O ATOM 0 H GLY A 44 -11.035 -11.653 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.222 -11.043 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.004 -10.517 -0.860 1.00 0.00 H new ATOM 611 N GLY A 45 -12.655 -13.639 -0.864 1.00 0.00 N ATOM 612 CA GLY A 45 -13.189 -14.903 -1.336 1.00 0.00 C ATOM 613 C GLY A 45 -12.812 -15.192 -2.775 1.00 0.00 C ATOM 614 O GLY A 45 -12.889 -16.334 -3.228 1.00 0.00 O ATOM 0 H GLY A 45 -11.646 -13.629 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.823 -15.709 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.275 -14.892 -1.244 1.00 0.00 H new ATOM 618 N PHE A 46 -12.404 -14.154 -3.497 1.00 0.00 N ATOM 619 CA PHE A 46 -12.015 -14.301 -4.894 1.00 0.00 C ATOM 620 C PHE A 46 -10.530 -14.000 -5.081 1.00 0.00 C ATOM 621 O PHE A 46 -9.884 -13.384 -4.232 1.00 0.00 O ATOM 622 CB PHE A 46 -12.849 -13.371 -5.778 1.00 0.00 C ATOM 623 CG PHE A 46 -14.095 -14.014 -6.316 1.00 0.00 C ATOM 624 CD1 PHE A 46 -14.052 -15.283 -6.870 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.310 -13.350 -6.266 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.198 -15.876 -7.367 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.459 -13.938 -6.760 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.403 -15.204 -7.310 1.00 0.00 C ATOM 0 H PHE A 46 -12.334 -13.202 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.198 -15.334 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.125 -12.487 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.236 -13.030 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.113 -15.815 -6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.360 -12.361 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.151 -16.864 -7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.399 -13.409 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.300 -15.667 -7.695 1.00 0.00 H new ATOM 638 N PRO A 47 -9.975 -14.447 -6.216 1.00 0.00 N ATOM 639 CA PRO A 47 -8.560 -14.239 -6.542 1.00 0.00 C ATOM 640 C PRO A 47 -8.244 -12.778 -6.846 1.00 0.00 C ATOM 641 O PRO A 47 -8.727 -12.221 -7.832 1.00 0.00 O ATOM 642 CB PRO A 47 -8.352 -15.102 -7.789 1.00 0.00 C ATOM 643 CG PRO A 47 -9.701 -15.200 -8.411 1.00 0.00 C ATOM 644 CD PRO A 47 -10.685 -15.189 -7.273 1.00 0.00 C ATOM 0 HA PRO A 47 -7.907 -14.504 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.634 -14.646 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.964 -16.087 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.879 -14.365 -9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.794 -16.113 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.617 -14.698 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.941 -16.199 -6.953 1.00 0.00 H new ATOM 652 N ILE A 48 -7.431 -12.164 -5.994 1.00 0.00 N ATOM 653 CA ILE A 48 -7.050 -10.768 -6.173 1.00 0.00 C ATOM 654 C ILE A 48 -6.641 -10.491 -7.616 1.00 0.00 C ATOM 655 O ILE A 48 -5.988 -11.316 -8.255 1.00 0.00 O ATOM 656 CB ILE A 48 -5.890 -10.377 -5.238 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.351 -10.403 -3.780 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.354 -9.001 -5.606 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.221 -10.239 -2.787 1.00 0.00 C ATOM 0 H ILE A 48 -7.023 -12.611 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.925 -10.167 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.085 -11.103 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.080 -9.608 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.861 -11.346 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.535 -8.739 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.992 -9.014 -6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.151 -8.263 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.621 -10.267 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.503 -11.048 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.725 -9.283 -2.955 1.00 0.00 H new ATOM 671 N GLN A 49 -7.028 -9.324 -8.120 1.00 0.00 N ATOM 672 CA GLN A 49 -6.701 -8.939 -9.488 1.00 0.00 C ATOM 673 C GLN A 49 -5.411 -8.125 -9.530 1.00 0.00 C ATOM 674 O GLN A 49 -4.492 -8.439 -10.286 1.00 0.00 O ATOM 675 CB GLN A 49 -7.847 -8.132 -10.101 1.00 0.00 C ATOM 676 CG GLN A 49 -9.100 -8.954 -10.359 1.00 0.00 C ATOM 677 CD GLN A 49 -10.183 -8.160 -11.062 1.00 0.00 C ATOM 678 OE1 GLN A 49 -10.101 -6.937 -11.173 1.00 0.00 O ATOM 679 NE2 GLN A 49 -11.208 -8.855 -11.542 1.00 0.00 N ATOM 0 H GLN A 49 -7.567 -8.630 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.555 -9.849 -10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.095 -7.306 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.510 -7.694 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.842 -9.823 -10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.486 -9.328 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.235 -9.868 -11.428 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.968 -8.376 -12.025 1.00 0.00 H new ATOM 688 N SER A 50 -5.351 -7.077 -8.714 1.00 0.00 N ATOM 689 CA SER A 50 -4.177 -6.216 -8.661 1.00 0.00 C ATOM 690 C SER A 50 -4.137 -5.430 -7.354 1.00 0.00 C ATOM 691 O SER A 50 -5.154 -5.280 -6.676 1.00 0.00 O ATOM 692 CB SER A 50 -4.170 -5.252 -9.849 1.00 0.00 C ATOM 693 OG SER A 50 -5.398 -4.552 -9.944 1.00 0.00 O ATOM 0 H SER A 50 -6.103 -6.804 -8.081 1.00 0.00 H new ATOM 0 HA SER A 50 -3.291 -6.849 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.350 -4.542 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.991 -5.806 -10.770 1.00 0.00 H new ATOM 0 HG SER A 50 -5.368 -3.941 -10.710 1.00 0.00 H new ATOM 699 N PHE A 51 -2.956 -4.930 -7.007 1.00 0.00 N ATOM 700 CA PHE A 51 -2.782 -4.159 -5.781 1.00 0.00 C ATOM 701 C PHE A 51 -2.553 -2.684 -6.093 1.00 0.00 C ATOM 702 O PHE A 51 -2.321 -2.310 -7.243 1.00 0.00 O ATOM 703 CB PHE A 51 -1.608 -4.710 -4.970 1.00 0.00 C ATOM 704 CG PHE A 51 -1.866 -6.069 -4.385 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.892 -6.263 -3.475 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.083 -7.154 -4.749 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.132 -7.513 -2.937 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.319 -8.405 -4.213 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.344 -8.585 -3.305 1.00 0.00 C ATOM 0 H PHE A 51 -2.105 -5.045 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.695 -4.249 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.727 -4.761 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.376 -4.014 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.511 -5.428 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.280 -7.020 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.936 -7.651 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.702 -9.242 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.529 -9.562 -2.884 1.00 0.00 H new ATOM 719 N ARG A 52 -2.621 -1.849 -5.061 1.00 0.00 N ATOM 720 CA ARG A 52 -2.423 -0.413 -5.225 1.00 0.00 C ATOM 721 C ARG A 52 -1.680 0.173 -4.028 1.00 0.00 C ATOM 722 O ARG A 52 -1.973 -0.159 -2.880 1.00 0.00 O ATOM 723 CB ARG A 52 -3.769 0.292 -5.400 1.00 0.00 C ATOM 724 CG ARG A 52 -4.443 -0.002 -6.730 1.00 0.00 C ATOM 725 CD ARG A 52 -5.652 0.892 -6.951 1.00 0.00 C ATOM 726 NE ARG A 52 -6.144 0.818 -8.325 1.00 0.00 N ATOM 727 CZ ARG A 52 -5.617 1.508 -9.331 1.00 0.00 C ATOM 728 NH1 ARG A 52 -4.588 2.316 -9.119 1.00 0.00 N ATOM 729 NH2 ARG A 52 -6.120 1.387 -10.553 1.00 0.00 N ATOM 0 H ARG A 52 -2.812 -2.142 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.819 -0.254 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.435 -0.009 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.621 1.368 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.729 0.143 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.752 -1.047 -6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.448 0.602 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.388 1.923 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.934 0.204 -8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.198 2.410 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.186 2.844 -9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.911 0.765 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.716 1.916 -11.326 1.00 0.00 H new ATOM 743 N VAL A 53 -0.716 1.046 -4.306 1.00 0.00 N ATOM 744 CA VAL A 53 0.068 1.679 -3.252 1.00 0.00 C ATOM 745 C VAL A 53 -0.148 3.188 -3.237 1.00 0.00 C ATOM 746 O VAL A 53 -0.136 3.836 -4.284 1.00 0.00 O ATOM 747 CB VAL A 53 1.571 1.388 -3.420 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.367 2.020 -2.288 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.819 -0.111 -3.485 1.00 0.00 C ATOM 0 H VAL A 53 -0.460 1.331 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.273 1.257 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 53 1.906 1.830 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.427 1.804 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.213 3.099 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.032 1.611 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.886 -0.298 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.469 -0.578 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.280 -0.533 -4.333 1.00 0.00 H new ATOM 759 N GLU A 54 -0.346 3.741 -2.045 1.00 0.00 N ATOM 760 CA GLU A 54 -0.565 5.174 -1.895 1.00 0.00 C ATOM 761 C GLU A 54 0.289 5.740 -0.763 1.00 0.00 C ATOM 762 O GLU A 54 0.728 5.007 0.123 1.00 0.00 O ATOM 763 CB GLU A 54 -2.044 5.461 -1.626 1.00 0.00 C ATOM 764 CG GLU A 54 -2.964 5.020 -2.752 1.00 0.00 C ATOM 765 CD GLU A 54 -4.416 4.946 -2.323 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.884 5.883 -1.643 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.086 3.950 -2.667 1.00 0.00 O ATOM 0 H GLU A 54 -0.359 3.218 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.272 5.660 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.342 4.957 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.174 6.530 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.870 5.715 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.646 4.043 -3.115 1.00 0.00 H new ATOM 774 N TYR A 55 0.518 7.048 -0.801 1.00 0.00 N ATOM 775 CA TYR A 55 1.320 7.712 0.220 1.00 0.00 C ATOM 776 C TYR A 55 0.676 9.026 0.650 1.00 0.00 C ATOM 777 O TYR A 55 -0.334 9.450 0.087 1.00 0.00 O ATOM 778 CB TYR A 55 2.734 7.971 -0.303 1.00 0.00 C ATOM 779 CG TYR A 55 2.768 8.751 -1.598 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.584 10.129 -1.607 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.981 8.111 -2.813 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.612 10.845 -2.788 1.00 0.00 C ATOM 783 CE2 TYR A 55 3.013 8.820 -3.998 1.00 0.00 C ATOM 784 CZ TYR A 55 2.828 10.186 -3.980 1.00 0.00 C ATOM 785 OH TYR A 55 2.858 10.896 -5.160 1.00 0.00 O ATOM 0 H TYR A 55 0.160 7.669 -1.527 1.00 0.00 H new ATOM 0 HA TYR A 55 1.375 7.055 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.298 8.516 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.238 7.016 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.416 10.648 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.124 7.041 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.466 11.915 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.182 8.307 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 55 3.021 10.283 -5.907 1.00 0.00 H new ATOM 795 N LYS A 56 1.268 9.667 1.651 1.00 0.00 N ATOM 796 CA LYS A 56 0.756 10.935 2.158 1.00 0.00 C ATOM 797 C LYS A 56 1.892 11.821 2.657 1.00 0.00 C ATOM 798 O LYS A 56 2.797 11.357 3.351 1.00 0.00 O ATOM 799 CB LYS A 56 -0.246 10.688 3.288 1.00 0.00 C ATOM 800 CG LYS A 56 -0.721 11.960 3.969 1.00 0.00 C ATOM 801 CD LYS A 56 -1.885 11.689 4.907 1.00 0.00 C ATOM 802 CE LYS A 56 -1.429 10.977 6.171 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.486 10.977 7.219 1.00 0.00 N ATOM 0 H LYS A 56 2.104 9.329 2.128 1.00 0.00 H new ATOM 0 HA LYS A 56 0.252 11.448 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.109 10.156 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.212 10.037 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.103 12.404 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.022 12.687 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.367 12.630 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.632 11.082 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.156 9.950 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.533 11.463 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.137 10.482 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.729 11.957 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.332 10.491 6.859 1.00 0.00 H new ATOM 817 N LYS A 57 1.840 13.100 2.299 1.00 0.00 N ATOM 818 CA LYS A 57 2.863 14.053 2.711 1.00 0.00 C ATOM 819 C LYS A 57 2.592 14.566 4.122 1.00 0.00 C ATOM 820 O LYS A 57 1.483 15.004 4.432 1.00 0.00 O ATOM 821 CB LYS A 57 2.921 15.228 1.732 1.00 0.00 C ATOM 822 CG LYS A 57 3.694 14.923 0.462 1.00 0.00 C ATOM 823 CD LYS A 57 3.374 15.921 -0.638 1.00 0.00 C ATOM 824 CE LYS A 57 2.182 15.471 -1.470 1.00 0.00 C ATOM 825 NZ LYS A 57 0.890 15.757 -0.787 1.00 0.00 N ATOM 0 H LYS A 57 1.099 13.500 1.724 1.00 0.00 H new ATOM 0 HA LYS A 57 3.824 13.539 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.905 15.520 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.379 16.083 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.763 14.942 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.454 13.916 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.164 16.895 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.244 16.044 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.202 15.976 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.260 14.402 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.137 15.861 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.655 14.972 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.974 16.638 -0.240 1.00 0.00 H new ATOM 839 N LEU A 58 3.611 14.511 4.973 1.00 0.00 N ATOM 840 CA LEU A 58 3.482 14.972 6.351 1.00 0.00 C ATOM 841 C LEU A 58 3.985 16.405 6.495 1.00 0.00 C ATOM 842 O LEU A 58 3.213 17.319 6.789 1.00 0.00 O ATOM 843 CB LEU A 58 4.259 14.050 7.293 1.00 0.00 C ATOM 844 CG LEU A 58 4.023 12.550 7.109 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.808 11.756 8.141 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.538 12.228 7.203 1.00 0.00 C ATOM 0 H LEU A 58 4.535 14.152 4.733 1.00 0.00 H new ATOM 0 HA LEU A 58 2.426 14.948 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.323 14.248 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.005 14.314 8.319 1.00 0.00 H new ATOM 0 HG LEU A 58 4.374 12.265 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.628 10.691 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.872 11.963 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.488 12.044 9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.389 11.157 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.162 12.528 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.998 12.769 6.425 1.00 0.00 H new ATOM 937 N TRP A 64 -3.875 11.917 0.477 1.00 0.00 N ATOM 938 CA TRP A 64 -3.186 10.720 0.010 1.00 0.00 C ATOM 939 C TRP A 64 -3.084 10.710 -1.512 1.00 0.00 C ATOM 940 O TRP A 64 -4.054 11.010 -2.210 1.00 0.00 O ATOM 941 CB TRP A 64 -3.914 9.465 0.493 1.00 0.00 C ATOM 942 CG TRP A 64 -3.701 9.178 1.948 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.426 9.669 2.996 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.693 8.335 2.516 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.930 9.181 4.180 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.868 8.360 3.914 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.661 7.558 1.980 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.048 7.641 4.780 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.849 6.845 2.840 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.046 6.889 4.228 1.00 0.00 C ATOM 0 HA TRP A 64 -2.178 10.727 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.982 9.578 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.576 8.610 -0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.266 10.342 2.907 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.294 9.396 5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.502 7.516 0.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.197 7.675 5.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.048 6.243 2.437 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.395 6.319 4.874 1.00 0.00 H new ATOM 961 N ILE A 65 -1.907 10.362 -2.020 1.00 0.00 N ATOM 962 CA ILE A 65 -1.682 10.312 -3.459 1.00 0.00 C ATOM 963 C ILE A 65 -1.397 8.887 -3.922 1.00 0.00 C ATOM 964 O ILE A 65 -1.006 8.031 -3.127 1.00 0.00 O ATOM 965 CB ILE A 65 -0.509 11.220 -3.877 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.453 12.461 -2.984 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.643 11.618 -5.339 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.688 13.329 -3.079 1.00 0.00 C ATOM 0 H ILE A 65 -1.095 10.111 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.596 10.670 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 65 0.422 10.666 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.317 12.148 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.420 13.055 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.193 12.259 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.639 10.723 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.579 12.157 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.579 14.190 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.814 13.672 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.563 12.751 -2.780 1.00 0.00 H new ATOM 980 N LEU A 66 -1.593 8.639 -5.212 1.00 0.00 N ATOM 981 CA LEU A 66 -1.355 7.318 -5.782 1.00 0.00 C ATOM 982 C LEU A 66 0.073 7.199 -6.303 1.00 0.00 C ATOM 983 O LEU A 66 0.501 7.978 -7.154 1.00 0.00 O ATOM 984 CB LEU A 66 -2.348 7.043 -6.913 1.00 0.00 C ATOM 985 CG LEU A 66 -2.277 5.652 -7.544 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.334 4.576 -6.471 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.404 5.465 -8.550 1.00 0.00 C ATOM 0 H LEU A 66 -1.916 9.336 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.497 6.578 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.357 7.195 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.190 7.784 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.327 5.561 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.282 3.593 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.493 4.698 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.268 4.665 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.338 4.470 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.364 5.576 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.318 6.215 -9.336 1.00 0.00 H new ATOM 999 N ALA A 67 0.806 6.217 -5.789 1.00 0.00 N ATOM 1000 CA ALA A 67 2.184 5.993 -6.205 1.00 0.00 C ATOM 1001 C ALA A 67 2.253 5.007 -7.366 1.00 0.00 C ATOM 1002 O ALA A 67 2.548 5.385 -8.500 1.00 0.00 O ATOM 1003 CB ALA A 67 3.015 5.491 -5.033 1.00 0.00 C ATOM 0 H ALA A 67 0.467 5.563 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 67 2.594 6.944 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.042 5.328 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.001 6.232 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.598 4.553 -4.666 1.00 0.00 H new ATOM 1009 N THR A 68 1.981 3.738 -7.076 1.00 0.00 N ATOM 1010 CA THR A 68 2.014 2.697 -8.096 1.00 0.00 C ATOM 1011 C THR A 68 0.744 1.854 -8.063 1.00 0.00 C ATOM 1012 O THR A 68 -0.017 1.899 -7.097 1.00 0.00 O ATOM 1013 CB THR A 68 3.234 1.773 -7.917 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.592 1.186 -9.172 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.938 0.677 -6.903 1.00 0.00 C ATOM 0 H THR A 68 1.735 3.407 -6.143 1.00 0.00 H new ATOM 0 HA THR A 68 2.087 3.201 -9.059 1.00 0.00 H new ATOM 0 HB THR A 68 4.066 2.373 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.369 0.602 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.813 0.037 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.695 1.128 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.094 0.080 -7.248 1.00 0.00 H new ATOM 1023 N SER A 69 0.521 1.085 -9.124 1.00 0.00 N ATOM 1024 CA SER A 69 -0.659 0.234 -9.218 1.00 0.00 C ATOM 1025 C SER A 69 -0.476 -0.832 -10.293 1.00 0.00 C ATOM 1026 O SER A 69 0.593 -0.948 -10.891 1.00 0.00 O ATOM 1027 CB SER A 69 -1.898 1.077 -9.524 1.00 0.00 C ATOM 1028 OG SER A 69 -2.011 2.165 -8.623 1.00 0.00 O ATOM 0 H SER A 69 1.143 1.034 -9.931 1.00 0.00 H new ATOM 0 HA SER A 69 -0.795 -0.264 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.843 1.452 -10.546 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.790 0.454 -9.460 1.00 0.00 H new ATOM 0 HG SER A 69 -1.541 1.951 -7.790 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.528 -1.607 -10.534 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.486 -2.663 -11.539 1.00 0.00 C ATOM 1036 C ALA A 70 -0.477 -3.741 -11.159 1.00 0.00 C ATOM 1037 O ALA A 70 0.110 -4.388 -12.027 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.149 -2.079 -12.903 1.00 0.00 C ATOM 0 H ALA A 70 -2.420 -1.524 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.472 -3.125 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.121 -2.878 -13.644 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.909 -1.350 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.176 -1.590 -12.859 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.280 -3.929 -9.859 1.00 0.00 N ATOM 1045 CA ILE A 71 0.657 -4.930 -9.366 1.00 0.00 C ATOM 1046 C ILE A 71 0.012 -6.311 -9.316 1.00 0.00 C ATOM 1047 O ILE A 71 -1.136 -6.473 -8.902 1.00 0.00 O ATOM 1048 CB ILE A 71 1.180 -4.570 -7.962 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.785 -3.165 -7.965 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.205 -5.594 -7.500 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.211 -2.688 -6.595 1.00 0.00 C ATOM 0 H ILE A 71 -0.757 -3.401 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 71 1.494 -4.947 -10.064 1.00 0.00 H new ATOM 0 HB ILE A 71 0.343 -4.583 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.648 -3.151 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.056 -2.465 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.565 -5.326 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.743 -6.581 -7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.043 -5.610 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.631 -1.685 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.347 -2.669 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.963 -3.366 -6.191 1.00 0.00 H new ATOM 1063 N PRO A 72 0.767 -7.332 -9.749 1.00 0.00 N ATOM 1064 CA PRO A 72 0.290 -8.719 -9.761 1.00 0.00 C ATOM 1065 C PRO A 72 0.142 -9.294 -8.357 1.00 0.00 C ATOM 1066 O PRO A 72 0.749 -8.819 -7.398 1.00 0.00 O ATOM 1067 CB PRO A 72 1.384 -9.463 -10.531 1.00 0.00 C ATOM 1068 CG PRO A 72 2.610 -8.640 -10.337 1.00 0.00 C ATOM 1069 CD PRO A 72 2.144 -7.213 -10.256 1.00 0.00 C ATOM 0 HA PRO A 72 -0.700 -8.806 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.521 -10.474 -10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.132 -9.555 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.135 -8.931 -9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.306 -8.776 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.769 -6.624 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.173 -6.725 -11.230 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.687 -10.342 -8.230 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.933 -11.005 -6.946 1.00 0.00 C ATOM 1079 C PRO A 73 0.284 -11.781 -6.452 1.00 0.00 C ATOM 1080 O PRO A 73 0.325 -12.221 -5.302 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.086 -11.962 -7.257 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.976 -12.227 -8.719 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.444 -10.960 -9.331 1.00 0.00 C ATOM 0 HA PRO A 73 -1.155 -10.290 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.002 -12.883 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.049 -11.516 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.307 -13.065 -8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.946 -12.488 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.807 -11.166 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.249 -10.312 -9.678 1.00 0.00 H new ATOM 1091 N SER A 74 1.271 -11.945 -7.325 1.00 0.00 N ATOM 1092 CA SER A 74 2.487 -12.670 -6.978 1.00 0.00 C ATOM 1093 C SER A 74 3.559 -11.716 -6.460 1.00 0.00 C ATOM 1094 O SER A 74 4.519 -12.136 -5.813 1.00 0.00 O ATOM 1095 CB SER A 74 3.014 -13.436 -8.193 1.00 0.00 C ATOM 1096 OG SER A 74 3.825 -14.528 -7.794 1.00 0.00 O ATOM 0 H SER A 74 1.253 -11.585 -8.279 1.00 0.00 H new ATOM 0 HA SER A 74 2.244 -13.380 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.177 -13.799 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.590 -12.764 -8.829 1.00 0.00 H new ATOM 0 HG SER A 74 4.148 -15.003 -8.588 1.00 0.00 H new ATOM 1102 N ARG A 75 3.388 -10.431 -6.750 1.00 0.00 N ATOM 1103 CA ARG A 75 4.342 -9.416 -6.316 1.00 0.00 C ATOM 1104 C ARG A 75 3.851 -8.715 -5.052 1.00 0.00 C ATOM 1105 O ARG A 75 2.960 -7.867 -5.105 1.00 0.00 O ATOM 1106 CB ARG A 75 4.567 -8.389 -7.427 1.00 0.00 C ATOM 1107 CG ARG A 75 5.540 -7.284 -7.047 1.00 0.00 C ATOM 1108 CD ARG A 75 6.227 -6.702 -8.271 1.00 0.00 C ATOM 1109 NE ARG A 75 7.510 -6.087 -7.938 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.121 -5.196 -8.711 1.00 0.00 C ATOM 1111 NH1 ARG A 75 7.568 -4.817 -9.854 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.287 -4.682 -8.339 1.00 0.00 N ATOM 0 H ARG A 75 2.598 -10.067 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 75 5.287 -9.912 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.940 -8.901 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.610 -7.942 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.007 -6.494 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.290 -7.678 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.383 -7.490 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.577 -5.958 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 75 7.961 -6.357 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.672 -5.210 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.039 -4.133 -10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.714 -4.971 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.756 -3.998 -8.933 1.00 0.00 H new ATOM 1126 N LEU A 76 4.439 -9.076 -3.917 1.00 0.00 N ATOM 1127 CA LEU A 76 4.063 -8.483 -2.639 1.00 0.00 C ATOM 1128 C LEU A 76 5.048 -7.390 -2.233 1.00 0.00 C ATOM 1129 O LEU A 76 4.984 -6.864 -1.122 1.00 0.00 O ATOM 1130 CB LEU A 76 4.002 -9.559 -1.553 1.00 0.00 C ATOM 1131 CG LEU A 76 3.169 -10.798 -1.882 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.194 -11.782 -0.722 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.738 -10.405 -2.220 1.00 0.00 C ATOM 0 H LEU A 76 5.178 -9.776 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 76 3.077 -8.033 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.020 -9.879 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.603 -9.108 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 76 3.606 -11.285 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.596 -12.657 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.222 -12.089 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.783 -11.306 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.160 -11.300 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.290 -9.894 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.738 -9.739 -3.083 1.00 0.00 H new ATOM 1145 N SER A 77 5.957 -7.054 -3.143 1.00 0.00 N ATOM 1146 CA SER A 77 6.957 -6.027 -2.879 1.00 0.00 C ATOM 1147 C SER A 77 7.348 -5.307 -4.167 1.00 0.00 C ATOM 1148 O SER A 77 7.616 -5.939 -5.189 1.00 0.00 O ATOM 1149 CB SER A 77 8.198 -6.646 -2.232 1.00 0.00 C ATOM 1150 OG SER A 77 9.344 -5.843 -2.455 1.00 0.00 O ATOM 0 H SER A 77 6.021 -7.478 -4.069 1.00 0.00 H new ATOM 0 HA SER A 77 6.523 -5.300 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.034 -6.762 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.364 -7.644 -2.638 1.00 0.00 H new ATOM 0 HG SER A 77 9.696 -5.530 -1.596 1.00 0.00 H new ATOM 1156 N VAL A 78 7.378 -3.979 -4.109 1.00 0.00 N ATOM 1157 CA VAL A 78 7.736 -3.172 -5.269 1.00 0.00 C ATOM 1158 C VAL A 78 8.438 -1.885 -4.848 1.00 0.00 C ATOM 1159 O VAL A 78 8.402 -1.502 -3.679 1.00 0.00 O ATOM 1160 CB VAL A 78 6.496 -2.815 -6.109 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.551 -4.004 -6.199 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.787 -1.603 -5.524 1.00 0.00 C ATOM 0 H VAL A 78 7.159 -3.440 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 78 8.415 -3.772 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 78 6.823 -2.564 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.681 -3.733 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.065 -4.843 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.229 -4.289 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.913 -1.365 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.472 -1.823 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.467 -0.751 -5.518 1.00 0.00 H new ATOM 1172 N GLU A 79 9.076 -1.224 -5.808 1.00 0.00 N ATOM 1173 CA GLU A 79 9.787 0.020 -5.536 1.00 0.00 C ATOM 1174 C GLU A 79 8.944 1.228 -5.936 1.00 0.00 C ATOM 1175 O GLU A 79 8.631 1.418 -7.111 1.00 0.00 O ATOM 1176 CB GLU A 79 11.121 0.045 -6.284 1.00 0.00 C ATOM 1177 CG GLU A 79 11.940 1.299 -6.025 1.00 0.00 C ATOM 1178 CD GLU A 79 13.099 1.448 -6.991 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.196 0.935 -6.684 1.00 0.00 O ATOM 1180 OE2 GLU A 79 12.911 2.077 -8.053 1.00 0.00 O ATOM 0 H GLU A 79 9.115 -1.529 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 79 9.979 0.072 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.707 -0.828 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.930 -0.040 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.293 2.173 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.323 1.274 -5.005 1.00 0.00 H new ATOM 1187 N ILE A 80 8.578 2.040 -4.950 1.00 0.00 N ATOM 1188 CA ILE A 80 7.772 3.228 -5.199 1.00 0.00 C ATOM 1189 C ILE A 80 8.642 4.399 -5.643 1.00 0.00 C ATOM 1190 O ILE A 80 9.287 5.055 -4.825 1.00 0.00 O ATOM 1191 CB ILE A 80 6.977 3.642 -3.946 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.129 2.472 -3.445 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.100 4.847 -4.249 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.114 1.984 -4.455 1.00 0.00 C ATOM 0 H ILE A 80 8.827 1.897 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 80 7.073 2.974 -5.996 1.00 0.00 H new ATOM 0 HB ILE A 80 7.681 3.918 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.787 1.646 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.609 2.774 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.545 5.127 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.725 5.682 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.400 4.596 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.549 1.154 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.432 2.796 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.629 1.650 -5.356 1.00 0.00 H new ATOM 1206 N THR A 81 8.654 4.658 -6.947 1.00 0.00 N ATOM 1207 CA THR A 81 9.444 5.749 -7.502 1.00 0.00 C ATOM 1208 C THR A 81 8.578 6.976 -7.768 1.00 0.00 C ATOM 1209 O THR A 81 7.351 6.903 -7.715 1.00 0.00 O ATOM 1210 CB THR A 81 10.136 5.332 -8.814 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.167 5.202 -9.860 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.880 4.017 -8.638 1.00 0.00 C ATOM 0 H THR A 81 8.125 4.126 -7.638 1.00 0.00 H new ATOM 0 HA THR A 81 10.204 5.996 -6.761 1.00 0.00 H new ATOM 0 HB THR A 81 10.856 6.106 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.616 4.938 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.361 3.742 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.637 4.128 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.176 3.237 -8.349 1.00 0.00 H new ATOM 1220 N GLY A 82 9.225 8.102 -8.052 1.00 0.00 N ATOM 1221 CA GLY A 82 8.497 9.328 -8.321 1.00 0.00 C ATOM 1222 C GLY A 82 8.204 10.117 -7.060 1.00 0.00 C ATOM 1223 O GLY A 82 7.161 10.763 -6.951 1.00 0.00 O ATOM 0 H GLY A 82 10.240 8.187 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.075 9.947 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.559 9.088 -8.822 1.00 0.00 H new ATOM 1227 N LEU A 83 9.126 10.066 -6.105 1.00 0.00 N ATOM 1228 CA LEU A 83 8.962 10.781 -4.845 1.00 0.00 C ATOM 1229 C LEU A 83 9.802 12.054 -4.827 1.00 0.00 C ATOM 1230 O LEU A 83 10.506 12.357 -5.789 1.00 0.00 O ATOM 1231 CB LEU A 83 9.353 9.882 -3.671 1.00 0.00 C ATOM 1232 CG LEU A 83 8.711 8.494 -3.644 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.349 7.631 -2.568 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.210 8.605 -3.422 1.00 0.00 C ATOM 0 H LEU A 83 9.995 9.537 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 83 7.913 11.059 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.436 9.759 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.097 10.396 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 83 8.881 8.018 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.879 6.648 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.414 7.523 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.212 8.102 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.770 7.608 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.019 9.102 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.765 9.185 -4.230 1.00 0.00 H new ATOM 1246 N GLU A 84 9.722 12.794 -3.726 1.00 0.00 N ATOM 1247 CA GLU A 84 10.477 14.034 -3.583 1.00 0.00 C ATOM 1248 C GLU A 84 11.346 14.001 -2.329 1.00 0.00 C ATOM 1249 O GLU A 84 10.898 13.586 -1.260 1.00 0.00 O ATOM 1250 CB GLU A 84 9.526 15.232 -3.527 1.00 0.00 C ATOM 1251 CG GLU A 84 8.757 15.460 -4.818 1.00 0.00 C ATOM 1252 CD GLU A 84 8.116 16.832 -4.880 1.00 0.00 C ATOM 1253 OE1 GLU A 84 8.790 17.783 -5.326 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.938 16.954 -4.481 1.00 0.00 O ATOM 0 H GLU A 84 9.143 12.557 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 84 11.128 14.136 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.817 15.084 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.099 16.129 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.433 15.340 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.984 14.697 -4.916 1.00 0.00 H new ATOM 1261 N LYS A 85 12.592 14.440 -2.468 1.00 0.00 N ATOM 1262 CA LYS A 85 13.526 14.463 -1.349 1.00 0.00 C ATOM 1263 C LYS A 85 13.151 15.553 -0.350 1.00 0.00 C ATOM 1264 O LYS A 85 12.472 16.519 -0.696 1.00 0.00 O ATOM 1265 CB LYS A 85 14.953 14.687 -1.853 1.00 0.00 C ATOM 1266 CG LYS A 85 15.697 13.400 -2.164 1.00 0.00 C ATOM 1267 CD LYS A 85 16.706 13.596 -3.285 1.00 0.00 C ATOM 1268 CE LYS A 85 16.042 13.527 -4.651 1.00 0.00 C ATOM 1269 NZ LYS A 85 16.793 14.308 -5.673 1.00 0.00 N ATOM 0 H LYS A 85 12.979 14.785 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 85 13.473 13.498 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.920 15.304 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.511 15.247 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.210 13.050 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.984 12.625 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.199 14.561 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.480 12.832 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.972 12.487 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.023 13.908 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.308 14.236 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.838 15.306 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.757 13.929 -5.760 1.00 0.00 H new ATOM 1283 N GLY A 86 13.599 15.392 0.891 1.00 0.00 N ATOM 1284 CA GLY A 86 13.302 16.371 1.921 1.00 0.00 C ATOM 1285 C GLY A 86 11.826 16.424 2.261 1.00 0.00 C ATOM 1286 O GLY A 86 11.371 17.351 2.931 1.00 0.00 O ATOM 0 H GLY A 86 14.163 14.601 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.871 16.132 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.631 17.355 1.588 1.00 0.00 H new ATOM 1290 N ILE A 87 11.077 15.430 1.796 1.00 0.00 N ATOM 1291 CA ILE A 87 9.644 15.368 2.055 1.00 0.00 C ATOM 1292 C ILE A 87 9.262 14.051 2.722 1.00 0.00 C ATOM 1293 O ILE A 87 9.373 12.983 2.120 1.00 0.00 O ATOM 1294 CB ILE A 87 8.831 15.528 0.757 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.067 16.912 0.149 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.349 15.311 1.031 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.442 18.037 0.944 1.00 0.00 C ATOM 0 H ILE A 87 11.439 14.657 1.238 1.00 0.00 H new ATOM 0 HA ILE A 87 9.408 16.194 2.726 1.00 0.00 H new ATOM 0 HB ILE A 87 9.164 14.776 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.140 17.087 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.666 16.928 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.787 15.427 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.195 14.306 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.003 16.044 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.650 18.988 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.364 17.887 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.861 18.048 1.950 1.00 0.00 H new ATOM 1309 N SER A 88 8.810 14.135 3.970 1.00 0.00 N ATOM 1310 CA SER A 88 8.414 12.950 4.720 1.00 0.00 C ATOM 1311 C SER A 88 7.003 12.511 4.336 1.00 0.00 C ATOM 1312 O SER A 88 6.113 13.340 4.147 1.00 0.00 O ATOM 1313 CB SER A 88 8.482 13.225 6.223 1.00 0.00 C ATOM 1314 OG SER A 88 9.467 14.200 6.518 1.00 0.00 O ATOM 0 H SER A 88 8.709 15.011 4.482 1.00 0.00 H new ATOM 0 HA SER A 88 9.107 12.146 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.510 13.567 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.709 12.301 6.755 1.00 0.00 H new ATOM 0 HG SER A 88 9.490 14.360 7.485 1.00 0.00 H new ATOM 1320 N TYR A 89 6.808 11.202 4.223 1.00 0.00 N ATOM 1321 CA TYR A 89 5.507 10.651 3.860 1.00 0.00 C ATOM 1322 C TYR A 89 5.410 9.180 4.250 1.00 0.00 C ATOM 1323 O TYR A 89 6.402 8.560 4.635 1.00 0.00 O ATOM 1324 CB TYR A 89 5.267 10.808 2.357 1.00 0.00 C ATOM 1325 CG TYR A 89 6.536 10.815 1.537 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.408 9.733 1.562 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.866 11.902 0.738 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.570 9.734 0.815 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.024 11.912 -0.013 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.873 10.826 0.028 1.00 0.00 C ATOM 1331 OH TYR A 89 10.030 10.832 -0.718 1.00 0.00 O ATOM 0 H TYR A 89 7.534 10.502 4.377 1.00 0.00 H new ATOM 0 HA TYR A 89 4.741 11.203 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.627 9.995 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.725 11.737 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.173 8.876 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.204 12.755 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.237 8.885 0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.264 12.766 -0.629 1.00 0.00 H new ATOM 0 HH TYR A 89 10.304 11.757 -0.890 1.00 0.00 H new ATOM 1341 N LYS A 90 4.207 8.626 4.148 1.00 0.00 N ATOM 1342 CA LYS A 90 3.977 7.227 4.489 1.00 0.00 C ATOM 1343 C LYS A 90 3.581 6.425 3.253 1.00 0.00 C ATOM 1344 O LYS A 90 3.558 6.950 2.141 1.00 0.00 O ATOM 1345 CB LYS A 90 2.885 7.113 5.555 1.00 0.00 C ATOM 1346 CG LYS A 90 3.051 8.094 6.703 1.00 0.00 C ATOM 1347 CD LYS A 90 2.226 7.686 7.911 1.00 0.00 C ATOM 1348 CE LYS A 90 2.791 8.270 9.196 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.740 8.437 10.238 1.00 0.00 N ATOM 0 H LYS A 90 3.375 9.125 3.832 1.00 0.00 H new ATOM 0 HA LYS A 90 4.906 6.818 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.914 7.275 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.882 6.098 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.103 8.153 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.752 9.090 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.197 8.021 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.200 6.599 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.578 7.619 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.250 9.236 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.165 8.838 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.001 9.078 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.319 7.512 10.458 1.00 0.00 H new ATOM 1363 N PHE A 91 3.268 5.149 3.457 1.00 0.00 N ATOM 1364 CA PHE A 91 2.872 4.274 2.360 1.00 0.00 C ATOM 1365 C PHE A 91 1.805 3.282 2.812 1.00 0.00 C ATOM 1366 O PHE A 91 1.712 2.950 3.994 1.00 0.00 O ATOM 1367 CB PHE A 91 4.088 3.520 1.817 1.00 0.00 C ATOM 1368 CG PHE A 91 5.173 4.422 1.304 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.117 4.952 2.169 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.250 4.740 -0.043 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.118 5.783 1.699 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.248 5.570 -0.518 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.183 6.092 0.354 1.00 0.00 C ATOM 0 H PHE A 91 3.281 4.698 4.372 1.00 0.00 H new ATOM 0 HA PHE A 91 2.453 4.894 1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.495 2.888 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.766 2.859 1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.071 4.714 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.522 4.334 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.848 6.190 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.297 5.810 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.964 6.741 -0.015 1.00 0.00 H new ATOM 1383 N ARG A 92 1.000 2.815 1.864 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.062 1.863 2.165 1.00 0.00 C ATOM 1385 C ARG A 92 -0.281 0.905 0.998 1.00 0.00 C ATOM 1386 O ARG A 92 0.395 0.995 -0.028 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.364 2.601 2.482 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.906 3.408 1.314 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.374 3.756 1.510 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.573 4.683 2.621 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.658 5.435 2.766 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.638 5.368 1.875 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.766 6.254 3.803 1.00 0.00 N ATOM 0 H ARG A 92 1.063 3.080 0.881 1.00 0.00 H new ATOM 0 HA ARG A 92 0.242 1.284 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.117 1.876 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.197 3.268 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.326 4.324 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.786 2.840 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.767 4.198 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.942 2.844 1.693 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.838 4.757 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.559 4.738 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.471 5.946 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.015 6.307 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.600 6.831 3.913 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.228 -0.014 1.161 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.536 -0.988 0.121 1.00 0.00 C ATOM 1409 C VAL A 93 -3.025 -1.311 0.095 1.00 0.00 C ATOM 1410 O VAL A 93 -3.677 -1.372 1.138 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.742 -2.292 0.322 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.090 -3.302 -0.763 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.752 -2.009 0.339 1.00 0.00 C ATOM 0 H VAL A 93 -1.795 -0.104 2.004 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.248 -0.539 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.018 -2.720 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.519 -4.217 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.156 -3.527 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.844 -2.886 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.297 -2.942 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.048 -1.557 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.983 -1.325 1.155 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.560 -1.518 -1.105 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.973 -1.834 -1.268 1.00 0.00 C ATOM 1425 C ARG A 94 -5.160 -3.020 -2.210 1.00 0.00 C ATOM 1426 O ARG A 94 -4.398 -3.195 -3.161 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.732 -0.619 -1.803 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.094 0.395 -0.729 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.385 1.123 -1.064 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.812 2.006 0.019 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.589 3.068 -0.162 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.023 3.378 -1.377 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.934 3.823 0.873 1.00 0.00 N ATOM 0 H ARG A 94 -3.035 -1.472 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.374 -2.102 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.125 -0.128 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.645 -0.958 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.199 -0.111 0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.285 1.117 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.247 1.706 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.170 0.394 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.496 1.795 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.760 2.800 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.620 4.194 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.603 3.588 1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.531 4.638 0.733 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.178 -3.830 -1.940 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.465 -4.997 -2.765 1.00 0.00 C ATOM 1449 C ALA A 95 -7.714 -4.776 -3.613 1.00 0.00 C ATOM 1450 O ALA A 95 -8.758 -4.366 -3.103 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.630 -6.232 -1.892 1.00 0.00 C ATOM 0 H ALA A 95 -6.818 -3.700 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.622 -5.151 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.844 -7.096 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.711 -6.408 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.454 -6.078 -1.195 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.600 -5.049 -4.907 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.720 -4.880 -5.826 1.00 0.00 C ATOM 1459 C LEU A 96 -9.020 -6.181 -6.565 1.00 0.00 C ATOM 1460 O LEU A 96 -8.164 -6.719 -7.265 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.418 -3.767 -6.832 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.679 -2.340 -6.351 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.442 -1.768 -5.676 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -9.111 -1.457 -7.514 1.00 0.00 C ATOM 0 H LEU A 96 -6.743 -5.388 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.598 -4.605 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.371 -3.844 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.014 -3.942 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.487 -2.366 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.648 -0.752 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.177 -2.386 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.614 -1.756 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.293 -0.444 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.324 -1.438 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.026 -1.856 -7.953 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.242 -6.678 -6.404 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.656 -7.915 -7.058 1.00 0.00 C ATOM 1478 C ASN A 97 -11.903 -7.690 -7.908 1.00 0.00 C ATOM 1479 O ASN A 97 -12.350 -6.558 -8.084 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.925 -9.001 -6.015 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.220 -8.772 -5.262 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.795 -7.685 -5.311 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.686 -9.799 -4.559 1.00 0.00 N ATOM 0 H ASN A 97 -10.963 -6.244 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.847 -8.240 -7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.961 -9.973 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.097 -9.034 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.554 -9.704 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.176 -10.682 -4.547 1.00 0.00 H new ATOM 1490 N MET A 98 -12.460 -8.777 -8.430 1.00 0.00 N ATOM 1491 CA MET A 98 -13.656 -8.699 -9.261 1.00 0.00 C ATOM 1492 C MET A 98 -14.868 -8.292 -8.429 1.00 0.00 C ATOM 1493 O MET A 98 -15.982 -8.184 -8.947 1.00 0.00 O ATOM 1494 CB MET A 98 -13.919 -10.043 -9.942 1.00 0.00 C ATOM 1495 CG MET A 98 -14.031 -11.206 -8.969 1.00 0.00 C ATOM 1496 SD MET A 98 -14.212 -12.795 -9.803 1.00 0.00 S ATOM 1497 CE MET A 98 -15.994 -12.900 -9.950 1.00 0.00 C ATOM 0 H MET A 98 -12.103 -9.722 -8.293 1.00 0.00 H new ATOM 0 HA MET A 98 -13.489 -7.940 -10.025 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.840 -9.974 -10.520 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.114 -10.247 -10.648 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.144 -11.231 -8.336 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.887 -11.045 -8.313 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.303 -13.944 -9.894 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.460 -12.339 -9.139 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.305 -12.481 -10.907 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.647 -8.067 -7.139 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.721 -7.672 -6.235 1.00 0.00 C ATOM 1509 C LEU A 99 -15.576 -6.211 -5.822 1.00 0.00 C ATOM 1510 O LEU A 99 -16.558 -5.548 -5.490 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.727 -8.567 -4.995 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.795 -10.072 -5.253 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.902 -10.835 -3.942 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.968 -10.405 -6.164 1.00 0.00 C ATOM 0 H LEU A 99 -13.733 -8.151 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.667 -7.788 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.827 -8.358 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.577 -8.287 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.875 -10.377 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.949 -11.905 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -15.029 -10.622 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.804 -10.526 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -17.001 -11.481 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.897 -10.085 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.847 -9.888 -7.116 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.342 -5.714 -5.847 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.091 -4.335 -5.474 1.00 0.00 C ATOM 1528 C GLY A 100 -12.727 -4.145 -4.839 1.00 0.00 C ATOM 1529 O GLY A 100 -11.882 -5.038 -4.891 1.00 0.00 O ATOM 0 H GLY A 100 -13.513 -6.242 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.168 -3.703 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.862 -4.004 -4.778 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.513 -2.979 -4.237 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.242 -2.676 -3.591 1.00 0.00 C ATOM 1535 C GLU A 101 -11.343 -2.860 -2.080 1.00 0.00 C ATOM 1536 O GLU A 101 -12.433 -2.827 -1.511 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.809 -1.244 -3.914 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.642 -0.184 -3.212 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.000 0.014 -3.858 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.041 0.393 -5.048 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.021 -0.212 -3.175 1.00 0.00 O ATOM 0 H GLU A 101 -13.203 -2.230 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.494 -3.369 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.763 -1.117 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.871 -1.089 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.778 -0.467 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.100 0.762 -3.218 1.00 0.00 H new ATOM 1548 N SER A 102 -10.195 -3.053 -1.436 1.00 0.00 N ATOM 1549 CA SER A 102 -10.154 -3.248 0.009 1.00 0.00 C ATOM 1550 C SER A 102 -9.888 -1.928 0.727 1.00 0.00 C ATOM 1551 O SER A 102 -9.654 -0.901 0.092 1.00 0.00 O ATOM 1552 CB SER A 102 -9.074 -4.268 0.376 1.00 0.00 C ATOM 1553 OG SER A 102 -7.795 -3.659 0.429 1.00 0.00 O ATOM 0 H SER A 102 -9.283 -3.078 -1.892 1.00 0.00 H new ATOM 0 HA SER A 102 -11.125 -3.626 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.307 -4.717 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.066 -5.074 -0.357 1.00 0.00 H new ATOM 0 HG SER A 102 -7.666 -3.245 1.308 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.927 -1.966 2.055 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.692 -0.773 2.859 1.00 0.00 C ATOM 1561 C GLU A 103 -8.222 -0.365 2.811 1.00 0.00 C ATOM 1562 O GLU A 103 -7.343 -1.157 2.470 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.117 -1.016 4.309 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.578 -0.695 4.577 1.00 0.00 C ATOM 1565 CD GLU A 103 -12.141 -1.476 5.748 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -12.493 -2.659 5.558 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.230 -0.904 6.855 1.00 0.00 O ATOM 0 H GLU A 103 -10.119 -2.809 2.596 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.290 0.037 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.930 -2.059 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.494 -0.411 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.682 0.372 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.164 -0.913 3.684 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.947 0.901 3.159 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.586 1.444 3.163 1.00 0.00 C ATOM 1576 C PRO A 104 -5.729 0.849 4.276 1.00 0.00 C ATOM 1577 O PRO A 104 -5.918 1.159 5.452 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.802 2.941 3.397 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.108 3.030 4.109 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.946 1.901 3.576 1.00 0.00 C ATOM 0 HA PRO A 104 -6.053 1.216 2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.996 3.368 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.827 3.489 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.972 2.940 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.587 3.992 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.617 1.505 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.567 2.222 2.739 1.00 0.00 H new ATOM 1588 N SER A 105 -4.786 -0.007 3.895 1.00 0.00 N ATOM 1589 CA SER A 105 -3.900 -0.648 4.862 1.00 0.00 C ATOM 1590 C SER A 105 -3.323 0.378 5.833 1.00 0.00 C ATOM 1591 O SER A 105 -3.287 1.573 5.542 1.00 0.00 O ATOM 1592 CB SER A 105 -2.767 -1.379 4.140 1.00 0.00 C ATOM 1593 OG SER A 105 -1.747 -0.476 3.747 1.00 0.00 O ATOM 0 H SER A 105 -4.615 -0.273 2.925 1.00 0.00 H new ATOM 0 HA SER A 105 -4.484 -1.371 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.348 -2.144 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.161 -1.891 3.263 1.00 0.00 H new ATOM 0 HG SER A 105 -1.007 -0.519 4.388 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.873 -0.100 6.988 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.294 0.773 8.002 1.00 0.00 C ATOM 1601 C ALA A 106 -1.174 1.626 7.418 1.00 0.00 C ATOM 1602 O ALA A 106 -0.352 1.159 6.629 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.780 -0.049 9.175 1.00 0.00 C ATOM 0 H ALA A 106 -2.898 -1.087 7.245 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.076 1.444 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.350 0.616 9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.605 -0.609 9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.016 -0.744 8.826 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.138 2.908 7.812 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.123 3.853 7.341 1.00 0.00 C ATOM 1611 C PRO A 107 1.263 3.541 7.896 1.00 0.00 C ATOM 1612 O PRO A 107 1.596 3.933 9.014 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.619 5.201 7.869 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.449 4.859 9.058 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.086 3.533 8.751 1.00 0.00 C ATOM 0 HA PRO A 107 -0.009 3.820 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.213 5.850 8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.204 5.730 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.836 4.799 9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.205 5.623 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.216 2.932 9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.073 3.655 8.304 1.00 0.00 H new ATOM 1623 N SER A 108 2.067 2.836 7.107 1.00 0.00 N ATOM 1624 CA SER A 108 3.416 2.469 7.521 1.00 0.00 C ATOM 1625 C SER A 108 4.151 3.672 8.104 1.00 0.00 C ATOM 1626 O SER A 108 3.779 4.819 7.859 1.00 0.00 O ATOM 1627 CB SER A 108 4.200 1.902 6.337 1.00 0.00 C ATOM 1628 OG SER A 108 4.831 2.936 5.601 1.00 0.00 O ATOM 0 H SER A 108 1.807 2.507 6.177 1.00 0.00 H new ATOM 0 HA SER A 108 3.337 1.704 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.950 1.198 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.527 1.345 5.685 1.00 0.00 H new ATOM 0 HG SER A 108 5.749 3.054 5.924 1.00 0.00 H new ATOM 1634 N ARG A 109 5.198 3.399 8.876 1.00 0.00 N ATOM 1635 CA ARG A 109 5.986 4.459 9.496 1.00 0.00 C ATOM 1636 C ARG A 109 6.439 5.479 8.455 1.00 0.00 C ATOM 1637 O ARG A 109 6.627 5.162 7.280 1.00 0.00 O ATOM 1638 CB ARG A 109 7.203 3.867 10.208 1.00 0.00 C ATOM 1639 CG ARG A 109 6.864 3.171 11.516 1.00 0.00 C ATOM 1640 CD ARG A 109 8.112 2.642 12.205 1.00 0.00 C ATOM 1641 NE ARG A 109 8.430 1.278 11.790 1.00 0.00 N ATOM 1642 CZ ARG A 109 9.525 0.629 12.172 1.00 0.00 C ATOM 1643 NH1 ARG A 109 10.402 1.218 12.973 1.00 0.00 N ATOM 1644 NH2 ARG A 109 9.744 -0.610 11.752 1.00 0.00 N ATOM 0 H ARG A 109 5.520 2.455 9.087 1.00 0.00 H new ATOM 0 HA ARG A 109 5.356 4.966 10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.692 3.155 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.921 4.663 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.350 3.868 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.176 2.347 11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.955 3.295 11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.968 2.668 13.285 1.00 0.00 H new ATOM 0 HE ARG A 109 7.775 0.797 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.237 2.171 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.242 0.718 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.072 -1.066 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.585 -1.107 12.046 1.00 0.00 H new ATOM 1658 N PRO A 110 6.616 6.734 8.894 1.00 0.00 N ATOM 1659 CA PRO A 110 7.049 7.826 8.018 1.00 0.00 C ATOM 1660 C PRO A 110 8.498 7.672 7.571 1.00 0.00 C ATOM 1661 O PRO A 110 9.393 7.468 8.393 1.00 0.00 O ATOM 1662 CB PRO A 110 6.888 9.070 8.895 1.00 0.00 C ATOM 1663 CG PRO A 110 7.001 8.565 10.292 1.00 0.00 C ATOM 1664 CD PRO A 110 6.410 7.182 10.282 1.00 0.00 C ATOM 0 HA PRO A 110 6.470 7.861 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.658 9.810 8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.926 9.553 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.042 8.542 10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.465 9.213 10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.910 6.526 10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.353 7.195 10.548 1.00 0.00 H new ATOM 1672 N TYR A 111 8.725 7.770 6.266 1.00 0.00 N ATOM 1673 CA TYR A 111 10.066 7.639 5.711 1.00 0.00 C ATOM 1674 C TYR A 111 10.499 8.930 5.021 1.00 0.00 C ATOM 1675 O TYR A 111 9.857 9.388 4.076 1.00 0.00 O ATOM 1676 CB TYR A 111 10.120 6.476 4.719 1.00 0.00 C ATOM 1677 CG TYR A 111 11.514 6.170 4.218 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.337 5.280 4.898 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.007 6.772 3.068 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.611 4.998 4.445 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.280 6.494 2.608 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.078 5.607 3.299 1.00 0.00 C ATOM 1683 OH TYR A 111 15.347 5.329 2.845 1.00 0.00 O ATOM 0 H TYR A 111 7.997 7.940 5.572 1.00 0.00 H new ATOM 0 HA TYR A 111 10.753 7.439 6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.710 5.585 5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.480 6.706 3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.974 4.801 5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.386 7.468 2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.238 4.304 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.648 6.970 1.711 1.00 0.00 H new ATOM 0 HH TYR A 111 15.521 5.839 2.026 1.00 0.00 H new ATOM 1693 N VAL A 112 11.593 9.513 5.503 1.00 0.00 N ATOM 1694 CA VAL A 112 12.113 10.749 4.933 1.00 0.00 C ATOM 1695 C VAL A 112 13.162 10.463 3.864 1.00 0.00 C ATOM 1696 O VAL A 112 14.283 10.055 4.172 1.00 0.00 O ATOM 1697 CB VAL A 112 12.735 11.649 6.018 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.184 12.974 5.421 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.746 11.874 7.152 1.00 0.00 C ATOM 0 H VAL A 112 12.135 9.149 6.286 1.00 0.00 H new ATOM 0 HA VAL A 112 11.269 11.268 4.480 1.00 0.00 H new ATOM 0 HB VAL A 112 13.612 11.146 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.621 13.596 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.928 12.790 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.326 13.487 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.201 12.512 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.849 12.356 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.478 10.916 7.597 1.00 0.00 H new ATOM 1709 N VAL A 113 12.791 10.681 2.606 1.00 0.00 N ATOM 1710 CA VAL A 113 13.701 10.448 1.490 1.00 0.00 C ATOM 1711 C VAL A 113 14.777 11.525 1.424 1.00 0.00 C ATOM 1712 O VAL A 113 14.516 12.652 1.003 1.00 0.00 O ATOM 1713 CB VAL A 113 12.945 10.409 0.148 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.913 10.559 -1.015 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.145 9.122 0.025 1.00 0.00 C ATOM 0 H VAL A 113 11.868 11.018 2.334 1.00 0.00 H new ATOM 0 HA VAL A 113 14.171 9.480 1.662 1.00 0.00 H new ATOM 0 HB VAL A 113 12.248 11.247 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.361 10.529 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.437 11.511 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.637 9.744 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.617 9.111 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.820 8.268 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.423 9.063 0.840 1.00 0.00 H new ATOM 1725 N SER A 114 15.988 11.171 1.843 1.00 0.00 N ATOM 1726 CA SER A 114 17.105 12.109 1.835 1.00 0.00 C ATOM 1727 C SER A 114 18.028 11.843 0.650 1.00 0.00 C ATOM 1728 O SER A 114 18.208 10.701 0.231 1.00 0.00 O ATOM 1729 CB SER A 114 17.892 12.009 3.142 1.00 0.00 C ATOM 1730 OG SER A 114 18.521 13.239 3.455 1.00 0.00 O ATOM 0 H SER A 114 16.221 10.241 2.192 1.00 0.00 H new ATOM 0 HA SER A 114 16.701 13.117 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.222 11.723 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.643 11.224 3.058 1.00 0.00 H new ATOM 0 HG SER A 114 19.016 13.149 4.296 1.00 0.00 H new