USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot -130:sc= -3.15! USER MOD Set 1.2: A 19 ASN : amide:sc= -4.63! C(o=-7.8!,f=-12!) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.00703 USER MOD Single : A 24 ASN : amide:sc= 0.615 K(o=0.62,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -1.42! C(o=-1.4!,f=-12!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= -0.123 (180deg=-0.924) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.0477 (180deg=-0.293) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.54! X(o=-1.5!,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 83:sc= -3.71! USER MOD Single : A 57 ASN : amide:sc= -1.15 K(o=-1.2,f=-6.9!) USER MOD Single : A 59 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0901) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -109:sc= -1.82! USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.983) USER MOD Single : A 78 THR OG1 : rot 92:sc= -1.64! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -2.2! C(o=-3.2!,f=-2.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.064 8.437 -2.461 1.00 0.00 N ATOM 191 CA THR A 15 69.926 8.888 -1.047 1.00 0.00 C ATOM 192 C THR A 15 71.225 9.544 -0.571 1.00 0.00 C ATOM 193 O THR A 15 71.384 9.853 0.593 1.00 0.00 O ATOM 194 CB THR A 15 69.647 7.612 -0.249 1.00 0.00 C ATOM 195 OG1 THR A 15 68.304 7.203 -0.469 1.00 0.00 O ATOM 196 CG2 THR A 15 69.864 7.881 1.241 1.00 0.00 C ATOM 0 HA THR A 15 69.134 9.627 -0.925 1.00 0.00 H new ATOM 0 HB THR A 15 70.325 6.823 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.050 7.398 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 15 69.665 6.971 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 15 70.895 8.194 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.187 8.669 1.571 1.00 0.00 H new ATOM 204 N THR A 16 72.154 9.760 -1.461 1.00 0.00 N ATOM 205 CA THR A 16 73.440 10.396 -1.051 1.00 0.00 C ATOM 206 C THR A 16 74.306 10.695 -2.278 1.00 0.00 C ATOM 207 O THR A 16 74.091 10.150 -3.342 1.00 0.00 O ATOM 208 CB THR A 16 74.127 9.367 -0.153 1.00 0.00 C ATOM 209 OG1 THR A 16 73.489 8.106 -0.303 1.00 0.00 O ATOM 210 CG2 THR A 16 74.034 9.815 1.305 1.00 0.00 C ATOM 0 H THR A 16 72.080 9.525 -2.451 1.00 0.00 H new ATOM 0 HA THR A 16 73.279 11.344 -0.538 1.00 0.00 H new ATOM 0 HB THR A 16 75.175 9.281 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.276 7.740 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.524 9.080 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.525 10.781 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 16 72.986 9.904 1.592 1.00 0.00 H new ATOM 218 N PRO A 17 75.259 11.563 -2.077 1.00 0.00 N ATOM 219 CA PRO A 17 76.177 11.958 -3.171 1.00 0.00 C ATOM 220 C PRO A 17 77.222 10.866 -3.421 1.00 0.00 C ATOM 221 O PRO A 17 77.566 10.569 -4.548 1.00 0.00 O ATOM 222 CB PRO A 17 76.843 13.222 -2.636 1.00 0.00 C ATOM 223 CG PRO A 17 76.761 13.107 -1.145 1.00 0.00 C ATOM 224 CD PRO A 17 75.560 12.256 -0.822 1.00 0.00 C ATOM 0 HA PRO A 17 75.665 12.113 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 17 77.878 13.293 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.332 14.117 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 17 77.669 12.656 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 17 76.666 14.093 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 17 75.777 11.550 -0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 17 74.718 12.865 -0.492 1.00 0.00 H new ATOM 232 N PHE A 18 77.736 10.271 -2.378 1.00 0.00 N ATOM 233 CA PHE A 18 78.763 9.207 -2.557 1.00 0.00 C ATOM 234 C PHE A 18 78.109 7.824 -2.539 1.00 0.00 C ATOM 235 O PHE A 18 77.629 7.364 -1.523 1.00 0.00 O ATOM 236 CB PHE A 18 79.710 9.364 -1.368 1.00 0.00 C ATOM 237 CG PHE A 18 80.446 10.677 -1.478 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.472 10.827 -2.418 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.102 11.744 -0.639 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.156 12.044 -2.520 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.786 12.961 -0.742 1.00 0.00 C ATOM 242 CZ PHE A 18 81.812 13.112 -1.681 1.00 0.00 C ATOM 0 H PHE A 18 77.488 10.477 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 18 79.284 9.298 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.148 9.328 -0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.421 8.538 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 18 81.736 10.003 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.310 11.628 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 18 82.948 12.160 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.521 13.785 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.339 14.052 -1.759 1.00 0.00 H new ATOM 252 N ASN A 19 78.094 7.158 -3.658 1.00 0.00 N ATOM 253 CA ASN A 19 77.484 5.804 -3.719 1.00 0.00 C ATOM 254 C ASN A 19 78.393 4.866 -4.506 1.00 0.00 C ATOM 255 O ASN A 19 79.137 5.283 -5.371 1.00 0.00 O ATOM 256 CB ASN A 19 76.151 5.996 -4.445 1.00 0.00 C ATOM 257 CG ASN A 19 75.439 7.237 -3.903 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.983 8.323 -3.920 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.232 7.121 -3.419 1.00 0.00 N ATOM 0 H ASN A 19 78.481 7.497 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 19 77.343 5.366 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.322 6.103 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.522 5.116 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 19 73.747 7.942 -3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.774 6.210 -3.404 1.00 0.00 H new ATOM 266 N LEU A 20 78.340 3.605 -4.206 1.00 0.00 N ATOM 267 CA LEU A 20 79.205 2.633 -4.928 1.00 0.00 C ATOM 268 C LEU A 20 78.650 1.213 -4.787 1.00 0.00 C ATOM 269 O LEU A 20 77.780 0.947 -3.978 1.00 0.00 O ATOM 270 CB LEU A 20 80.599 2.768 -4.289 1.00 0.00 C ATOM 271 CG LEU A 20 80.642 2.154 -2.876 1.00 0.00 C ATOM 272 CD1 LEU A 20 79.434 2.602 -2.057 1.00 0.00 C ATOM 273 CD2 LEU A 20 80.645 0.629 -2.973 1.00 0.00 C ATOM 0 H LEU A 20 77.735 3.201 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 20 79.246 2.834 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.338 2.277 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.874 3.821 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 20 81.552 2.495 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 20 79.483 2.158 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.437 3.688 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 20 78.518 2.280 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 20 80.675 0.201 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.741 0.295 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.520 0.302 -3.534 1.00 0.00 H new ATOM 285 N PHE A 21 79.149 0.303 -5.577 1.00 0.00 N ATOM 286 CA PHE A 21 78.661 -1.104 -5.513 1.00 0.00 C ATOM 287 C PHE A 21 79.626 -1.956 -4.683 1.00 0.00 C ATOM 288 O PHE A 21 80.807 -1.687 -4.623 1.00 0.00 O ATOM 289 CB PHE A 21 78.640 -1.558 -6.977 1.00 0.00 C ATOM 290 CG PHE A 21 78.647 -3.068 -7.062 1.00 0.00 C ATOM 291 CD1 PHE A 21 79.820 -3.782 -6.791 1.00 0.00 C ATOM 292 CD2 PHE A 21 77.481 -3.750 -7.427 1.00 0.00 C ATOM 293 CE1 PHE A 21 79.827 -5.179 -6.882 1.00 0.00 C ATOM 294 CE2 PHE A 21 77.487 -5.147 -7.517 1.00 0.00 C ATOM 295 CZ PHE A 21 78.660 -5.862 -7.245 1.00 0.00 C ATOM 0 H PHE A 21 79.879 0.475 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 21 77.683 -1.199 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.753 -1.164 -7.474 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.506 -1.154 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 21 80.720 -3.255 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 76.577 -3.199 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 21 80.732 -5.730 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 21 76.586 -5.674 -7.796 1.00 0.00 H new ATOM 0 HZ PHE A 21 78.664 -6.940 -7.315 1.00 0.00 H new ATOM 305 N ILE A 22 79.131 -2.985 -4.049 1.00 0.00 N ATOM 306 CA ILE A 22 80.018 -3.861 -3.229 1.00 0.00 C ATOM 307 C ILE A 22 79.855 -5.314 -3.670 1.00 0.00 C ATOM 308 O ILE A 22 78.898 -5.669 -4.329 1.00 0.00 O ATOM 309 CB ILE A 22 79.547 -3.679 -1.786 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.998 -2.310 -1.272 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.153 -4.776 -0.909 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.791 -2.238 0.242 1.00 0.00 C ATOM 0 H ILE A 22 78.148 -3.258 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 22 81.072 -3.605 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 22 78.460 -3.743 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.048 -2.147 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.431 -1.520 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.817 -4.646 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.834 -5.752 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.241 -4.713 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.113 -1.263 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.735 -2.382 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.378 -3.018 0.727 1.00 0.00 H new ATOM 324 N GLY A 23 80.783 -6.158 -3.318 1.00 0.00 N ATOM 325 CA GLY A 23 80.676 -7.584 -3.728 1.00 0.00 C ATOM 326 C GLY A 23 81.301 -8.477 -2.657 1.00 0.00 C ATOM 327 O GLY A 23 81.855 -8.006 -1.684 1.00 0.00 O ATOM 0 H GLY A 23 81.608 -5.923 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.630 -7.853 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.180 -7.737 -4.682 1.00 0.00 H new ATOM 331 N ASN A 24 81.208 -9.767 -2.833 1.00 0.00 N ATOM 332 CA ASN A 24 81.790 -10.714 -1.834 1.00 0.00 C ATOM 333 C ASN A 24 80.939 -10.724 -0.562 1.00 0.00 C ATOM 334 O ASN A 24 81.386 -10.344 0.501 1.00 0.00 O ATOM 335 CB ASN A 24 83.197 -10.187 -1.538 1.00 0.00 C ATOM 336 CG ASN A 24 84.097 -11.347 -1.108 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.799 -12.494 -1.376 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.194 -11.095 -0.448 1.00 0.00 N ATOM 0 H ASN A 24 80.751 -10.210 -3.630 1.00 0.00 H new ATOM 0 HA ASN A 24 81.818 -11.737 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.609 -9.702 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.157 -9.433 -0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.801 -11.861 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.444 -10.132 -0.223 1.00 0.00 H new ATOM 345 N LEU A 25 79.714 -11.158 -0.668 1.00 0.00 N ATOM 346 CA LEU A 25 78.828 -11.196 0.529 1.00 0.00 C ATOM 347 C LEU A 25 78.856 -12.582 1.167 1.00 0.00 C ATOM 348 O LEU A 25 79.694 -13.406 0.859 1.00 0.00 O ATOM 349 CB LEU A 25 77.429 -10.887 -0.003 1.00 0.00 C ATOM 350 CG LEU A 25 77.309 -9.391 -0.299 1.00 0.00 C ATOM 351 CD1 LEU A 25 75.857 -9.059 -0.644 1.00 0.00 C ATOM 352 CD2 LEU A 25 77.735 -8.592 0.934 1.00 0.00 C ATOM 0 H LEU A 25 79.287 -11.489 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 25 79.143 -10.486 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.238 -11.463 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.677 -11.184 0.728 1.00 0.00 H new ATOM 0 HG LEU A 25 77.953 -9.132 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 75.768 -7.993 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.552 -9.630 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.215 -9.317 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 25 77.650 -7.526 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 25 77.090 -8.849 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.769 -8.831 1.183 1.00 0.00 H new ATOM 364 N ASN A 26 77.943 -12.838 2.056 1.00 0.00 N ATOM 365 CA ASN A 26 77.901 -14.162 2.728 1.00 0.00 C ATOM 366 C ASN A 26 76.618 -14.902 2.338 1.00 0.00 C ATOM 367 O ASN A 26 75.541 -14.552 2.777 1.00 0.00 O ATOM 368 CB ASN A 26 77.910 -13.830 4.217 1.00 0.00 C ATOM 369 CG ASN A 26 78.112 -15.108 5.031 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.802 -16.190 4.574 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.626 -15.028 6.229 1.00 0.00 N ATOM 0 H ASN A 26 77.219 -12.182 2.348 1.00 0.00 H new ATOM 0 HA ASN A 26 78.732 -14.810 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 26 78.707 -13.119 4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 26 76.971 -13.353 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.767 -15.874 6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.886 -14.119 6.613 1.00 0.00 H new ATOM 378 N PRO A 27 76.782 -15.901 1.515 1.00 0.00 N ATOM 379 CA PRO A 27 75.625 -16.702 1.047 1.00 0.00 C ATOM 380 C PRO A 27 75.094 -17.592 2.176 1.00 0.00 C ATOM 381 O PRO A 27 74.116 -18.295 2.017 1.00 0.00 O ATOM 382 CB PRO A 27 76.208 -17.544 -0.085 1.00 0.00 C ATOM 383 CG PRO A 27 77.671 -17.632 0.213 1.00 0.00 C ATOM 384 CD PRO A 27 78.049 -16.371 0.946 1.00 0.00 C ATOM 0 HA PRO A 27 74.782 -16.090 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.751 -18.533 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.030 -17.079 -1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.888 -18.511 0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.247 -17.730 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.788 -16.567 1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.483 -15.632 0.272 1.00 0.00 H new ATOM 392 N ASN A 28 75.722 -17.553 3.319 1.00 0.00 N ATOM 393 CA ASN A 28 75.245 -18.379 4.464 1.00 0.00 C ATOM 394 C ASN A 28 74.748 -17.447 5.565 1.00 0.00 C ATOM 395 O ASN A 28 74.661 -17.810 6.722 1.00 0.00 O ATOM 396 CB ASN A 28 76.470 -19.166 4.931 1.00 0.00 C ATOM 397 CG ASN A 28 76.638 -20.414 4.062 1.00 0.00 C ATOM 398 OD1 ASN A 28 75.761 -21.252 4.008 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.735 -20.572 3.374 1.00 0.00 N ATOM 0 H ASN A 28 76.547 -16.984 3.510 1.00 0.00 H new ATOM 0 HA ASN A 28 74.427 -19.048 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.362 -18.543 4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.355 -19.451 5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.856 -21.400 2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 28 78.471 -19.868 3.420 1.00 0.00 H new ATOM 406 N LYS A 29 74.434 -16.238 5.198 1.00 0.00 N ATOM 407 CA LYS A 29 73.953 -15.242 6.189 1.00 0.00 C ATOM 408 C LYS A 29 72.965 -14.295 5.508 1.00 0.00 C ATOM 409 O LYS A 29 72.389 -14.616 4.487 1.00 0.00 O ATOM 410 CB LYS A 29 75.219 -14.492 6.605 1.00 0.00 C ATOM 411 CG LYS A 29 75.156 -14.127 8.088 1.00 0.00 C ATOM 412 CD LYS A 29 74.815 -15.367 8.917 1.00 0.00 C ATOM 413 CE LYS A 29 75.515 -15.279 10.274 1.00 0.00 C ATOM 414 NZ LYS A 29 76.961 -15.473 9.974 1.00 0.00 N ATOM 0 H LYS A 29 74.492 -15.894 4.239 1.00 0.00 H new ATOM 0 HA LYS A 29 73.440 -15.687 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.096 -15.110 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.328 -13.588 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.112 -13.715 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.405 -13.354 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.736 -15.440 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.130 -16.268 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.336 -14.314 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.148 -16.044 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.406 -16.012 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.063 -15.996 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.425 -14.546 9.887 1.00 0.00 H new ATOM 428 N SER A 30 72.772 -13.129 6.050 1.00 0.00 N ATOM 429 CA SER A 30 71.832 -12.167 5.412 1.00 0.00 C ATOM 430 C SER A 30 72.612 -10.994 4.835 1.00 0.00 C ATOM 431 O SER A 30 73.547 -10.501 5.437 1.00 0.00 O ATOM 432 CB SER A 30 70.921 -11.681 6.528 1.00 0.00 C ATOM 433 OG SER A 30 70.796 -12.695 7.516 1.00 0.00 O ATOM 0 H SER A 30 73.222 -12.799 6.904 1.00 0.00 H new ATOM 0 HA SER A 30 71.268 -12.627 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.327 -10.773 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.940 -11.428 6.126 1.00 0.00 H new ATOM 0 HG SER A 30 70.210 -12.380 8.236 1.00 0.00 H new ATOM 439 N VAL A 31 72.237 -10.529 3.682 1.00 0.00 N ATOM 440 CA VAL A 31 72.969 -9.380 3.098 1.00 0.00 C ATOM 441 C VAL A 31 72.729 -8.144 3.962 1.00 0.00 C ATOM 442 O VAL A 31 73.564 -7.265 4.056 1.00 0.00 O ATOM 443 CB VAL A 31 72.399 -9.199 1.692 1.00 0.00 C ATOM 444 CG1 VAL A 31 73.239 -8.173 0.929 1.00 0.00 C ATOM 445 CG2 VAL A 31 72.441 -10.536 0.947 1.00 0.00 C ATOM 0 H VAL A 31 71.464 -10.890 3.124 1.00 0.00 H new ATOM 0 HA VAL A 31 74.046 -9.541 3.056 1.00 0.00 H new ATOM 0 HB VAL A 31 71.369 -8.851 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.833 -8.044 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 31 73.215 -7.219 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 31 74.269 -8.524 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 31 72.034 -10.407 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 73.472 -10.882 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.846 -11.272 1.487 1.00 0.00 H new ATOM 455 N ALA A 32 71.603 -8.086 4.620 1.00 0.00 N ATOM 456 CA ALA A 32 71.318 -6.923 5.504 1.00 0.00 C ATOM 457 C ALA A 32 72.278 -6.958 6.688 1.00 0.00 C ATOM 458 O ALA A 32 72.813 -5.949 7.104 1.00 0.00 O ATOM 459 CB ALA A 32 69.877 -7.120 5.972 1.00 0.00 C ATOM 0 H ALA A 32 70.869 -8.794 4.583 1.00 0.00 H new ATOM 0 HA ALA A 32 71.443 -5.964 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.593 -6.299 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.213 -7.138 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.796 -8.063 6.512 1.00 0.00 H new ATOM 465 N GLU A 33 72.516 -8.125 7.215 1.00 0.00 N ATOM 466 CA GLU A 33 73.460 -8.250 8.355 1.00 0.00 C ATOM 467 C GLU A 33 74.857 -7.848 7.873 1.00 0.00 C ATOM 468 O GLU A 33 75.658 -7.324 8.619 1.00 0.00 O ATOM 469 CB GLU A 33 73.373 -9.736 8.764 1.00 0.00 C ATOM 470 CG GLU A 33 74.764 -10.372 8.861 1.00 0.00 C ATOM 471 CD GLU A 33 74.717 -11.549 9.837 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.730 -11.665 10.546 1.00 0.00 O ATOM 473 OE2 GLU A 33 75.666 -12.313 9.859 1.00 0.00 O ATOM 0 H GLU A 33 72.095 -9.000 6.903 1.00 0.00 H new ATOM 0 HA GLU A 33 73.231 -7.609 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 33 72.865 -9.821 9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 72.772 -10.281 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 33 75.090 -10.713 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 33 75.491 -9.634 9.199 1.00 0.00 H new ATOM 480 N LEU A 34 75.142 -8.071 6.617 1.00 0.00 N ATOM 481 CA LEU A 34 76.473 -7.682 6.079 1.00 0.00 C ATOM 482 C LEU A 34 76.588 -6.161 6.095 1.00 0.00 C ATOM 483 O LEU A 34 77.631 -5.604 6.380 1.00 0.00 O ATOM 484 CB LEU A 34 76.500 -8.213 4.646 1.00 0.00 C ATOM 485 CG LEU A 34 77.357 -9.479 4.585 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.567 -10.599 3.906 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.628 -9.194 3.782 1.00 0.00 C ATOM 0 H LEU A 34 74.510 -8.505 5.944 1.00 0.00 H new ATOM 0 HA LEU A 34 77.301 -8.083 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.487 -8.431 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.904 -7.456 3.974 1.00 0.00 H new ATOM 0 HG LEU A 34 77.625 -9.785 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 77.178 -11.501 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.660 -10.802 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.299 -10.294 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 79.240 -10.095 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.359 -8.888 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 34 79.192 -8.396 4.265 1.00 0.00 H new ATOM 499 N LYS A 35 75.512 -5.484 5.806 1.00 0.00 N ATOM 500 CA LYS A 35 75.548 -3.996 5.819 1.00 0.00 C ATOM 501 C LYS A 35 75.889 -3.511 7.228 1.00 0.00 C ATOM 502 O LYS A 35 76.823 -2.762 7.430 1.00 0.00 O ATOM 503 CB LYS A 35 74.137 -3.550 5.424 1.00 0.00 C ATOM 504 CG LYS A 35 73.768 -4.140 4.062 1.00 0.00 C ATOM 505 CD LYS A 35 74.726 -3.615 2.993 1.00 0.00 C ATOM 506 CE LYS A 35 75.246 -4.786 2.156 1.00 0.00 C ATOM 507 NZ LYS A 35 76.505 -4.287 1.536 1.00 0.00 N ATOM 0 H LYS A 35 74.611 -5.896 5.562 1.00 0.00 H new ATOM 0 HA LYS A 35 76.297 -3.590 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.419 -3.874 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 74.088 -2.462 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.815 -5.228 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.742 -3.874 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 35 74.215 -2.895 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 75.559 -3.091 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.432 -5.663 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 35 74.522 -5.081 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.118 -5.093 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 76.279 -3.756 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.998 -3.663 2.206 1.00 0.00 H new ATOM 521 N VAL A 36 75.143 -3.947 8.207 1.00 0.00 N ATOM 522 CA VAL A 36 75.425 -3.530 9.611 1.00 0.00 C ATOM 523 C VAL A 36 76.904 -3.724 9.922 1.00 0.00 C ATOM 524 O VAL A 36 77.524 -2.897 10.552 1.00 0.00 O ATOM 525 CB VAL A 36 74.581 -4.460 10.471 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.708 -4.056 11.940 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.115 -4.366 10.039 1.00 0.00 C ATOM 0 H VAL A 36 74.348 -4.576 8.095 1.00 0.00 H new ATOM 0 HA VAL A 36 75.191 -2.480 9.789 1.00 0.00 H new ATOM 0 HB VAL A 36 74.931 -5.485 10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.103 -4.723 12.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.751 -4.126 12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.360 -3.031 12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.511 -5.032 10.655 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.765 -3.341 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.025 -4.658 8.993 1.00 0.00 H new ATOM 537 N ALA A 37 77.480 -4.808 9.481 1.00 0.00 N ATOM 538 CA ALA A 37 78.925 -5.026 9.752 1.00 0.00 C ATOM 539 C ALA A 37 79.722 -3.915 9.079 1.00 0.00 C ATOM 540 O ALA A 37 80.738 -3.473 9.574 1.00 0.00 O ATOM 541 CB ALA A 37 79.254 -6.385 9.136 1.00 0.00 C ATOM 0 H ALA A 37 77.016 -5.545 8.950 1.00 0.00 H new ATOM 0 HA ALA A 37 79.167 -5.012 10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.308 -6.612 9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.640 -7.155 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 37 79.049 -6.359 8.066 1.00 0.00 H new ATOM 547 N ILE A 38 79.249 -3.447 7.958 1.00 0.00 N ATOM 548 CA ILE A 38 79.957 -2.347 7.254 1.00 0.00 C ATOM 549 C ILE A 38 79.566 -1.011 7.885 1.00 0.00 C ATOM 550 O ILE A 38 80.313 -0.055 7.853 1.00 0.00 O ATOM 551 CB ILE A 38 79.480 -2.423 5.803 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.914 -3.758 5.195 1.00 0.00 C ATOM 553 CG2 ILE A 38 80.097 -1.275 5.002 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.955 -4.142 4.066 1.00 0.00 C ATOM 0 H ILE A 38 78.401 -3.781 7.500 1.00 0.00 H new ATOM 0 HA ILE A 38 81.042 -2.434 7.318 1.00 0.00 H new ATOM 0 HB ILE A 38 78.393 -2.344 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.931 -3.681 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.920 -4.534 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.757 -1.329 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.790 -0.323 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.184 -1.354 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.265 -5.093 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.944 -4.236 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.972 -3.371 3.296 1.00 0.00 H new ATOM 566 N SER A 39 78.405 -0.942 8.481 1.00 0.00 N ATOM 567 CA SER A 39 77.988 0.333 9.132 1.00 0.00 C ATOM 568 C SER A 39 78.655 0.420 10.503 1.00 0.00 C ATOM 569 O SER A 39 78.933 1.487 11.017 1.00 0.00 O ATOM 570 CB SER A 39 76.470 0.235 9.274 1.00 0.00 C ATOM 571 OG SER A 39 76.087 0.710 10.558 1.00 0.00 O ATOM 0 H SER A 39 77.733 -1.707 8.545 1.00 0.00 H new ATOM 0 HA SER A 39 78.273 1.218 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.982 0.822 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.147 -0.798 9.144 1.00 0.00 H new ATOM 0 HG SER A 39 75.113 0.650 10.652 1.00 0.00 H new ATOM 577 N GLU A 40 78.926 -0.713 11.084 1.00 0.00 N ATOM 578 CA GLU A 40 79.586 -0.741 12.412 1.00 0.00 C ATOM 579 C GLU A 40 81.089 -0.557 12.234 1.00 0.00 C ATOM 580 O GLU A 40 81.734 0.160 12.973 1.00 0.00 O ATOM 581 CB GLU A 40 79.269 -2.125 12.959 1.00 0.00 C ATOM 582 CG GLU A 40 78.921 -2.027 14.445 1.00 0.00 C ATOM 583 CD GLU A 40 80.170 -2.310 15.283 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.916 -3.202 14.913 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.358 -1.633 16.279 1.00 0.00 O ATOM 0 H GLU A 40 78.715 -1.630 10.689 1.00 0.00 H new ATOM 0 HA GLU A 40 79.245 0.049 13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.435 -2.561 12.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.124 -2.786 12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.534 -1.034 14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.135 -2.740 14.693 1.00 0.00 H new ATOM 592 N LEU A 41 81.645 -1.188 11.241 1.00 0.00 N ATOM 593 CA LEU A 41 83.103 -1.042 10.991 1.00 0.00 C ATOM 594 C LEU A 41 83.395 0.396 10.577 1.00 0.00 C ATOM 595 O LEU A 41 84.423 0.955 10.905 1.00 0.00 O ATOM 596 CB LEU A 41 83.418 -2.003 9.842 1.00 0.00 C ATOM 597 CG LEU A 41 84.829 -2.566 10.020 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.760 -4.088 10.156 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.679 -2.203 8.800 1.00 0.00 C ATOM 0 H LEU A 41 81.152 -1.800 10.591 1.00 0.00 H new ATOM 0 HA LEU A 41 83.705 -1.266 11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.691 -2.815 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.340 -1.483 8.887 1.00 0.00 H new ATOM 0 HG LEU A 41 85.278 -2.142 10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.766 -4.488 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.154 -4.349 11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.311 -4.513 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.685 -2.603 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.228 -2.628 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.730 -1.119 8.702 1.00 0.00 H new ATOM 611 N PHE A 42 82.486 1.000 9.869 1.00 0.00 N ATOM 612 CA PHE A 42 82.687 2.399 9.441 1.00 0.00 C ATOM 613 C PHE A 42 82.330 3.323 10.603 1.00 0.00 C ATOM 614 O PHE A 42 82.796 4.441 10.691 1.00 0.00 O ATOM 615 CB PHE A 42 81.715 2.582 8.284 1.00 0.00 C ATOM 616 CG PHE A 42 82.269 1.933 7.033 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.652 0.585 7.047 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.396 2.682 5.858 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.160 -0.011 5.886 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.904 2.085 4.697 1.00 0.00 C ATOM 621 CZ PHE A 42 83.285 0.739 4.712 1.00 0.00 C ATOM 0 H PHE A 42 81.608 0.577 9.569 1.00 0.00 H new ATOM 0 HA PHE A 42 83.712 2.625 9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.751 2.141 8.536 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.543 3.644 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.555 0.006 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.102 3.721 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.455 -1.050 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 42 83.002 2.664 3.790 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.676 0.279 3.817 1.00 0.00 H new ATOM 631 N ALA A 43 81.513 2.851 11.507 1.00 0.00 N ATOM 632 CA ALA A 43 81.135 3.691 12.676 1.00 0.00 C ATOM 633 C ALA A 43 82.324 3.783 13.631 1.00 0.00 C ATOM 634 O ALA A 43 82.543 4.788 14.280 1.00 0.00 O ATOM 635 CB ALA A 43 79.967 2.957 13.336 1.00 0.00 C ATOM 0 H ALA A 43 81.093 1.922 11.485 1.00 0.00 H new ATOM 0 HA ALA A 43 80.858 4.707 12.396 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.632 3.517 14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.146 2.867 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.290 1.963 13.645 1.00 0.00 H new ATOM 641 N LYS A 44 83.104 2.740 13.708 1.00 0.00 N ATOM 642 CA LYS A 44 84.294 2.754 14.603 1.00 0.00 C ATOM 643 C LYS A 44 85.517 3.227 13.815 1.00 0.00 C ATOM 644 O LYS A 44 86.521 3.617 14.377 1.00 0.00 O ATOM 645 CB LYS A 44 84.469 1.304 15.052 1.00 0.00 C ATOM 646 CG LYS A 44 83.740 1.087 16.380 1.00 0.00 C ATOM 647 CD LYS A 44 83.105 -0.305 16.391 1.00 0.00 C ATOM 648 CE LYS A 44 82.909 -0.766 17.838 1.00 0.00 C ATOM 649 NZ LYS A 44 83.753 -1.987 17.968 1.00 0.00 N ATOM 0 H LYS A 44 82.967 1.874 13.186 1.00 0.00 H new ATOM 0 HA LYS A 44 84.175 3.425 15.453 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.074 0.628 14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.528 1.073 15.165 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.438 1.187 17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.973 1.850 16.515 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.147 -0.283 15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 44 83.741 -1.011 15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.218 0.005 18.544 1.00 0.00 H new ATOM 0 HE3 LYS A 44 81.862 -0.986 18.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.672 -2.364 18.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.431 -2.705 17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.745 -1.745 17.772 1.00 0.00 H new ATOM 663 N ASN A 45 85.435 3.194 12.512 1.00 0.00 N ATOM 664 CA ASN A 45 86.582 3.640 11.676 1.00 0.00 C ATOM 665 C ASN A 45 86.571 5.164 11.543 1.00 0.00 C ATOM 666 O ASN A 45 87.575 5.766 11.223 1.00 0.00 O ATOM 667 CB ASN A 45 86.348 2.980 10.318 1.00 0.00 C ATOM 668 CG ASN A 45 87.131 1.669 10.248 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.984 1.501 9.399 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.874 0.725 11.111 1.00 0.00 N ATOM 0 H ASN A 45 84.618 2.876 11.990 1.00 0.00 H new ATOM 0 HA ASN A 45 87.546 3.366 12.104 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.285 2.789 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.664 3.648 9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.389 -0.155 11.073 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.158 0.866 11.823 1.00 0.00 H new ATOM 677 N ASP A 46 85.423 5.771 11.773 1.00 0.00 N ATOM 678 CA ASP A 46 85.259 7.262 11.667 1.00 0.00 C ATOM 679 C ASP A 46 84.718 7.600 10.289 1.00 0.00 C ATOM 680 O ASP A 46 84.953 8.662 9.748 1.00 0.00 O ATOM 681 CB ASP A 46 86.632 7.908 11.894 1.00 0.00 C ATOM 682 CG ASP A 46 86.449 9.374 12.290 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.034 10.148 11.443 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.726 9.697 13.434 1.00 0.00 O ATOM 0 H ASP A 46 84.570 5.278 12.037 1.00 0.00 H new ATOM 0 HA ASP A 46 84.558 7.638 12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.172 7.374 12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.233 7.838 10.987 1.00 0.00 H new ATOM 689 N LEU A 47 83.976 6.692 9.728 1.00 0.00 N ATOM 690 CA LEU A 47 83.385 6.925 8.391 1.00 0.00 C ATOM 691 C LEU A 47 81.993 7.542 8.561 1.00 0.00 C ATOM 692 O LEU A 47 81.762 8.331 9.455 1.00 0.00 O ATOM 693 CB LEU A 47 83.315 5.530 7.758 1.00 0.00 C ATOM 694 CG LEU A 47 84.049 5.543 6.415 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.740 4.196 6.198 1.00 0.00 C ATOM 696 CD2 LEU A 47 83.046 5.789 5.286 1.00 0.00 C ATOM 0 H LEU A 47 83.753 5.789 10.146 1.00 0.00 H new ATOM 0 HA LEU A 47 83.959 7.612 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.765 4.794 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.275 5.236 7.614 1.00 0.00 H new ATOM 0 HG LEU A 47 84.795 6.338 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.263 4.205 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.456 4.021 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.995 3.401 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.569 5.798 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 47 82.299 4.995 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.554 6.749 5.439 1.00 0.00 H new ATOM 708 N ALA A 48 81.068 7.190 7.721 1.00 0.00 N ATOM 709 CA ALA A 48 79.696 7.756 7.845 1.00 0.00 C ATOM 710 C ALA A 48 78.775 7.122 6.806 1.00 0.00 C ATOM 711 O ALA A 48 78.212 7.790 5.961 1.00 0.00 O ATOM 712 CB ALA A 48 79.856 9.254 7.588 1.00 0.00 C ATOM 0 H ALA A 48 81.199 6.534 6.951 1.00 0.00 H new ATOM 0 HA ALA A 48 79.253 7.562 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.884 9.742 7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.533 9.680 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.265 9.410 6.590 1.00 0.00 H new ATOM 718 N VAL A 49 78.622 5.832 6.869 1.00 0.00 N ATOM 719 CA VAL A 49 77.749 5.129 5.908 1.00 0.00 C ATOM 720 C VAL A 49 76.350 5.732 5.929 1.00 0.00 C ATOM 721 O VAL A 49 75.664 5.727 6.931 1.00 0.00 O ATOM 722 CB VAL A 49 77.730 3.683 6.391 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.073 3.021 6.078 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.486 3.651 7.903 1.00 0.00 C ATOM 0 H VAL A 49 79.074 5.230 7.558 1.00 0.00 H new ATOM 0 HA VAL A 49 78.104 5.209 4.881 1.00 0.00 H new ATOM 0 HB VAL A 49 76.932 3.143 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.058 1.987 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.247 3.041 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.872 3.562 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.473 2.617 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.283 4.193 8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.528 4.121 8.127 1.00 0.00 H new ATOM 734 N VAL A 50 75.941 6.259 4.821 1.00 0.00 N ATOM 735 CA VAL A 50 74.588 6.890 4.730 1.00 0.00 C ATOM 736 C VAL A 50 73.564 5.856 4.256 1.00 0.00 C ATOM 737 O VAL A 50 72.438 5.830 4.714 1.00 0.00 O ATOM 738 CB VAL A 50 74.721 8.023 3.696 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.839 9.202 4.107 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.173 8.500 3.617 1.00 0.00 C ATOM 0 H VAL A 50 76.485 6.285 3.959 1.00 0.00 H new ATOM 0 HA VAL A 50 74.251 7.269 5.695 1.00 0.00 H new ATOM 0 HB VAL A 50 74.409 7.643 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.936 10.002 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.799 8.879 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.152 9.567 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.253 9.301 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.488 8.870 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.813 7.669 3.320 1.00 0.00 H new ATOM 750 N ASP A 51 73.942 5.003 3.342 1.00 0.00 N ATOM 751 CA ASP A 51 72.980 3.973 2.848 1.00 0.00 C ATOM 752 C ASP A 51 73.667 2.613 2.716 1.00 0.00 C ATOM 753 O ASP A 51 74.858 2.522 2.497 1.00 0.00 O ATOM 754 CB ASP A 51 72.527 4.474 1.478 1.00 0.00 C ATOM 755 CG ASP A 51 71.043 4.156 1.282 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.274 4.433 2.189 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.700 3.642 0.230 1.00 0.00 O ATOM 0 H ASP A 51 74.869 4.974 2.918 1.00 0.00 H new ATOM 0 HA ASP A 51 72.143 3.838 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.693 5.548 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.118 4.002 0.693 1.00 0.00 H new ATOM 762 N VAL A 52 72.915 1.554 2.848 1.00 0.00 N ATOM 763 CA VAL A 52 73.510 0.186 2.732 1.00 0.00 C ATOM 764 C VAL A 52 72.413 -0.824 2.373 1.00 0.00 C ATOM 765 O VAL A 52 71.510 -1.070 3.146 1.00 0.00 O ATOM 766 CB VAL A 52 74.109 -0.160 4.109 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.471 -0.827 3.911 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.296 1.099 4.967 1.00 0.00 C ATOM 0 H VAL A 52 71.912 1.574 3.032 1.00 0.00 H new ATOM 0 HA VAL A 52 74.274 0.153 1.955 1.00 0.00 H new ATOM 0 HB VAL A 52 73.420 -0.832 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.900 -1.074 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.348 -1.739 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.137 -0.144 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.720 0.822 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 52 74.970 1.789 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.331 1.582 5.120 1.00 0.00 H new ATOM 778 N ARG A 53 72.484 -1.410 1.208 1.00 0.00 N ATOM 779 CA ARG A 53 71.442 -2.400 0.808 1.00 0.00 C ATOM 780 C ARG A 53 72.090 -3.639 0.187 1.00 0.00 C ATOM 781 O ARG A 53 73.287 -3.697 -0.001 1.00 0.00 O ATOM 782 CB ARG A 53 70.579 -1.673 -0.222 1.00 0.00 C ATOM 783 CG ARG A 53 71.435 -1.309 -1.437 1.00 0.00 C ATOM 784 CD ARG A 53 70.782 -0.155 -2.198 1.00 0.00 C ATOM 785 NE ARG A 53 70.904 -0.524 -3.635 1.00 0.00 N ATOM 786 CZ ARG A 53 70.365 -1.629 -4.073 1.00 0.00 C ATOM 787 NH1 ARG A 53 69.245 -2.056 -3.558 1.00 0.00 N ATOM 788 NH2 ARG A 53 70.946 -2.307 -5.025 1.00 0.00 N ATOM 0 H ARG A 53 73.217 -1.247 0.517 1.00 0.00 H new ATOM 0 HA ARG A 53 70.857 -2.746 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 53 69.746 -2.307 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.150 -0.772 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 53 72.437 -1.025 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.543 -2.174 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.738 -0.032 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 53 71.284 0.790 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 53 71.409 0.087 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.791 -1.526 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.823 -2.919 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.822 -1.973 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.524 -3.170 -5.367 1.00 0.00 H new ATOM 802 N THR A 54 71.306 -4.634 -0.130 1.00 0.00 N ATOM 803 CA THR A 54 71.869 -5.865 -0.733 1.00 0.00 C ATOM 804 C THR A 54 72.040 -5.683 -2.242 1.00 0.00 C ATOM 805 O THR A 54 71.655 -4.679 -2.808 1.00 0.00 O ATOM 806 CB THR A 54 70.829 -6.947 -0.438 1.00 0.00 C ATOM 807 OG1 THR A 54 69.711 -6.774 -1.298 1.00 0.00 O ATOM 808 CG2 THR A 54 70.375 -6.844 1.019 1.00 0.00 C ATOM 0 H THR A 54 70.295 -4.642 0.006 1.00 0.00 H new ATOM 0 HA THR A 54 72.851 -6.116 -0.332 1.00 0.00 H new ATOM 0 HB THR A 54 71.271 -7.929 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.044 -7.468 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.634 -7.617 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.233 -6.979 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.934 -5.863 1.194 1.00 0.00 H new ATOM 816 N GLY A 55 72.619 -6.649 -2.892 1.00 0.00 N ATOM 817 CA GLY A 55 72.830 -6.553 -4.362 1.00 0.00 C ATOM 818 C GLY A 55 72.332 -7.834 -5.030 1.00 0.00 C ATOM 819 O GLY A 55 72.841 -8.915 -4.777 1.00 0.00 O ATOM 0 H GLY A 55 72.959 -7.510 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.297 -5.690 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.887 -6.403 -4.580 1.00 0.00 H new ATOM 823 N THR A 56 71.334 -7.713 -5.874 1.00 0.00 N ATOM 824 CA THR A 56 70.757 -8.903 -6.577 1.00 0.00 C ATOM 825 C THR A 56 69.858 -9.686 -5.619 1.00 0.00 C ATOM 826 O THR A 56 68.661 -9.780 -5.811 1.00 0.00 O ATOM 827 CB THR A 56 71.949 -9.757 -7.019 1.00 0.00 C ATOM 828 OG1 THR A 56 72.993 -8.909 -7.473 1.00 0.00 O ATOM 829 CG2 THR A 56 71.517 -10.687 -8.153 1.00 0.00 C ATOM 0 H THR A 56 70.889 -6.826 -6.109 1.00 0.00 H new ATOM 0 HA THR A 56 70.147 -8.612 -7.432 1.00 0.00 H new ATOM 0 HB THR A 56 72.303 -10.352 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.507 -8.582 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.365 -11.295 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 56 70.714 -11.337 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.163 -10.093 -8.996 1.00 0.00 H new ATOM 837 N ASN A 57 70.426 -10.242 -4.588 1.00 0.00 N ATOM 838 CA ASN A 57 69.615 -11.018 -3.606 1.00 0.00 C ATOM 839 C ASN A 57 70.528 -11.558 -2.506 1.00 0.00 C ATOM 840 O ASN A 57 70.139 -11.686 -1.362 1.00 0.00 O ATOM 841 CB ASN A 57 69.006 -12.171 -4.407 1.00 0.00 C ATOM 842 CG ASN A 57 70.123 -13.091 -4.905 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.093 -12.635 -5.476 1.00 0.00 O ATOM 844 ND2 ASN A 57 70.026 -14.377 -4.710 1.00 0.00 N ATOM 0 H ASN A 57 71.423 -10.193 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 57 68.846 -10.411 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 57 68.308 -12.732 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 68.438 -11.781 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 57 70.765 -15.000 -5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.211 -14.760 -4.230 1.00 0.00 H new ATOM 851 N ARG A 58 71.744 -11.876 -2.852 1.00 0.00 N ATOM 852 CA ARG A 58 72.698 -12.414 -1.844 1.00 0.00 C ATOM 853 C ARG A 58 74.064 -12.648 -2.489 1.00 0.00 C ATOM 854 O ARG A 58 74.827 -13.496 -2.071 1.00 0.00 O ATOM 855 CB ARG A 58 72.074 -13.728 -1.395 1.00 0.00 C ATOM 856 CG ARG A 58 73.060 -14.500 -0.515 1.00 0.00 C ATOM 857 CD ARG A 58 73.659 -15.658 -1.315 1.00 0.00 C ATOM 858 NE ARG A 58 73.069 -16.886 -0.715 1.00 0.00 N ATOM 859 CZ ARG A 58 72.817 -17.923 -1.467 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.128 -17.779 -2.567 1.00 0.00 N ATOM 861 NH2 ARG A 58 73.253 -19.103 -1.120 1.00 0.00 N ATOM 0 H ARG A 58 72.120 -11.786 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 58 72.861 -11.734 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.155 -13.534 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.803 -14.327 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 58 73.852 -13.836 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.552 -14.881 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 58 73.410 -15.577 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 74.747 -15.667 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 58 72.862 -16.917 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.787 -16.857 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 71.931 -18.589 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.791 -19.216 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 58 73.056 -19.913 -1.708 1.00 0.00 H new ATOM 875 N LYS A 59 74.383 -11.893 -3.503 1.00 0.00 N ATOM 876 CA LYS A 59 75.700 -12.062 -4.169 1.00 0.00 C ATOM 877 C LYS A 59 76.534 -10.800 -3.970 1.00 0.00 C ATOM 878 O LYS A 59 77.740 -10.854 -3.838 1.00 0.00 O ATOM 879 CB LYS A 59 75.379 -12.276 -5.648 1.00 0.00 C ATOM 880 CG LYS A 59 76.680 -12.433 -6.436 1.00 0.00 C ATOM 881 CD LYS A 59 77.364 -13.743 -6.037 1.00 0.00 C ATOM 882 CE LYS A 59 78.225 -14.245 -7.197 1.00 0.00 C ATOM 883 NZ LYS A 59 77.275 -14.943 -8.108 1.00 0.00 N ATOM 0 H LYS A 59 73.786 -11.166 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 59 76.273 -12.896 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.758 -13.163 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.808 -11.431 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.472 -12.430 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.342 -11.590 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.982 -13.588 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.616 -14.491 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.724 -13.419 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.005 -14.921 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.549 -14.768 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.299 -15.965 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 76.312 -14.584 -7.947 1.00 0.00 H new ATOM 897 N PHE A 60 75.897 -9.663 -3.930 1.00 0.00 N ATOM 898 CA PHE A 60 76.659 -8.397 -3.719 1.00 0.00 C ATOM 899 C PHE A 60 75.800 -7.416 -2.924 1.00 0.00 C ATOM 900 O PHE A 60 74.694 -7.726 -2.545 1.00 0.00 O ATOM 901 CB PHE A 60 76.985 -7.875 -5.131 1.00 0.00 C ATOM 902 CG PHE A 60 75.920 -6.914 -5.619 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.948 -5.572 -5.217 1.00 0.00 C ATOM 904 CD2 PHE A 60 74.915 -7.366 -6.480 1.00 0.00 C ATOM 905 CE1 PHE A 60 74.968 -4.684 -5.676 1.00 0.00 C ATOM 906 CE2 PHE A 60 73.935 -6.477 -6.940 1.00 0.00 C ATOM 907 CZ PHE A 60 73.961 -5.137 -6.536 1.00 0.00 C ATOM 0 H PHE A 60 74.888 -9.554 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 60 77.576 -8.539 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.953 -7.375 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.066 -8.714 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 60 76.725 -5.223 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.894 -8.400 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 60 74.989 -3.649 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 60 73.160 -6.825 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.204 -4.452 -6.888 1.00 0.00 H new ATOM 917 N GLY A 61 76.300 -6.244 -2.656 1.00 0.00 N ATOM 918 CA GLY A 61 75.493 -5.261 -1.878 1.00 0.00 C ATOM 919 C GLY A 61 75.851 -3.840 -2.315 1.00 0.00 C ATOM 920 O GLY A 61 76.821 -3.621 -3.013 1.00 0.00 O ATOM 0 H GLY A 61 77.226 -5.924 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.430 -5.443 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.683 -5.383 -0.812 1.00 0.00 H new ATOM 924 N TYR A 62 75.076 -2.870 -1.909 1.00 0.00 N ATOM 925 CA TYR A 62 75.379 -1.462 -2.305 1.00 0.00 C ATOM 926 C TYR A 62 75.439 -0.572 -1.074 1.00 0.00 C ATOM 927 O TYR A 62 74.860 -0.867 -0.049 1.00 0.00 O ATOM 928 CB TYR A 62 74.234 -1.045 -3.226 1.00 0.00 C ATOM 929 CG TYR A 62 74.725 -0.005 -4.204 1.00 0.00 C ATOM 930 CD1 TYR A 62 75.330 -0.403 -5.403 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.574 1.356 -3.914 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.785 0.561 -6.311 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.028 2.319 -4.822 1.00 0.00 C ATOM 934 CZ TYR A 62 75.634 1.922 -6.020 1.00 0.00 C ATOM 935 OH TYR A 62 76.082 2.872 -6.915 1.00 0.00 O ATOM 0 H TYR A 62 74.250 -2.990 -1.323 1.00 0.00 H new ATOM 0 HA TYR A 62 76.344 -1.373 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.852 -1.913 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.408 -0.645 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 62 75.446 -1.453 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.107 1.663 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.252 0.255 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 62 74.911 3.369 -4.599 1.00 0.00 H new ATOM 0 HH TYR A 62 75.899 3.767 -6.561 1.00 0.00 H new ATOM 945 N VAL A 63 76.159 0.509 -1.159 1.00 0.00 N ATOM 946 CA VAL A 63 76.277 1.407 0.017 1.00 0.00 C ATOM 947 C VAL A 63 76.519 2.851 -0.432 1.00 0.00 C ATOM 948 O VAL A 63 76.974 3.105 -1.529 1.00 0.00 O ATOM 949 CB VAL A 63 77.490 0.877 0.782 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.479 1.442 2.193 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.438 -0.652 0.860 1.00 0.00 C ATOM 0 H VAL A 63 76.669 0.808 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 63 75.372 1.416 0.624 1.00 0.00 H new ATOM 0 HB VAL A 63 78.398 1.181 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.342 1.066 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.522 2.530 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.565 1.135 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.307 -1.018 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.528 -0.959 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.442 -1.068 -0.147 1.00 0.00 H new ATOM 961 N ASP A 64 76.220 3.802 0.411 1.00 0.00 N ATOM 962 CA ASP A 64 76.435 5.224 0.039 1.00 0.00 C ATOM 963 C ASP A 64 77.187 5.948 1.157 1.00 0.00 C ATOM 964 O ASP A 64 76.964 5.702 2.328 1.00 0.00 O ATOM 965 CB ASP A 64 75.038 5.803 -0.119 1.00 0.00 C ATOM 966 CG ASP A 64 74.232 4.950 -1.100 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.843 4.197 -1.840 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.017 5.064 -1.095 1.00 0.00 O ATOM 0 H ASP A 64 75.835 3.652 1.344 1.00 0.00 H new ATOM 0 HA ASP A 64 77.027 5.331 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.536 5.834 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.099 6.830 -0.480 1.00 0.00 H new ATOM 973 N PHE A 65 78.071 6.841 0.806 1.00 0.00 N ATOM 974 CA PHE A 65 78.837 7.586 1.845 1.00 0.00 C ATOM 975 C PHE A 65 78.337 9.027 1.930 1.00 0.00 C ATOM 976 O PHE A 65 77.514 9.455 1.146 1.00 0.00 O ATOM 977 CB PHE A 65 80.290 7.530 1.384 1.00 0.00 C ATOM 978 CG PHE A 65 80.785 6.111 1.516 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.944 5.545 2.787 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.073 5.357 0.372 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.393 4.226 2.913 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.520 4.036 0.499 1.00 0.00 C ATOM 983 CZ PHE A 65 81.680 3.471 1.771 1.00 0.00 C ATOM 0 H PHE A 65 78.296 7.087 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 65 78.720 7.157 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.371 7.864 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.903 8.202 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.720 6.126 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.950 5.794 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.518 3.790 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.741 3.453 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.025 2.452 1.870 1.00 0.00 H new ATOM 993 N GLU A 66 78.799 9.771 2.894 1.00 0.00 N ATOM 994 CA GLU A 66 78.312 11.170 3.039 1.00 0.00 C ATOM 995 C GLU A 66 79.452 12.180 2.876 1.00 0.00 C ATOM 996 O GLU A 66 79.333 13.326 3.265 1.00 0.00 O ATOM 997 CB GLU A 66 77.724 11.226 4.453 1.00 0.00 C ATOM 998 CG GLU A 66 78.831 11.478 5.479 1.00 0.00 C ATOM 999 CD GLU A 66 78.789 12.940 5.928 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.859 13.295 6.632 1.00 0.00 O ATOM 1001 OE2 GLU A 66 79.687 13.678 5.559 1.00 0.00 O ATOM 0 H GLU A 66 79.489 9.474 3.584 1.00 0.00 H new ATOM 0 HA GLU A 66 77.580 11.430 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.977 12.017 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.215 10.289 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 66 78.702 10.819 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 66 79.804 11.248 5.044 1.00 0.00 H new ATOM 1008 N SER A 67 80.551 11.777 2.306 1.00 0.00 N ATOM 1009 CA SER A 67 81.677 12.743 2.131 1.00 0.00 C ATOM 1010 C SER A 67 82.759 12.211 1.207 1.00 0.00 C ATOM 1011 O SER A 67 82.750 11.073 0.776 1.00 0.00 O ATOM 1012 CB SER A 67 82.273 12.936 3.520 1.00 0.00 C ATOM 1013 OG SER A 67 82.556 11.666 4.090 1.00 0.00 O ATOM 0 H SER A 67 80.721 10.834 1.957 1.00 0.00 H new ATOM 0 HA SER A 67 81.306 13.666 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.184 13.531 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.577 13.485 4.154 1.00 0.00 H new ATOM 0 HG SER A 67 81.924 11.486 4.817 1.00 0.00 H new ATOM 1019 N ALA A 68 83.720 13.043 0.952 1.00 0.00 N ATOM 1020 CA ALA A 68 84.869 12.646 0.108 1.00 0.00 C ATOM 1021 C ALA A 68 85.790 11.802 0.964 1.00 0.00 C ATOM 1022 O ALA A 68 86.555 10.986 0.491 1.00 0.00 O ATOM 1023 CB ALA A 68 85.555 13.961 -0.238 1.00 0.00 C ATOM 0 H ALA A 68 83.758 14.001 1.300 1.00 0.00 H new ATOM 0 HA ALA A 68 84.592 12.083 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.424 13.764 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.858 14.605 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.875 14.457 0.679 1.00 0.00 H new ATOM 1029 N GLU A 69 85.702 12.016 2.242 1.00 0.00 N ATOM 1030 CA GLU A 69 86.542 11.264 3.194 1.00 0.00 C ATOM 1031 C GLU A 69 85.973 9.858 3.379 1.00 0.00 C ATOM 1032 O GLU A 69 86.689 8.918 3.663 1.00 0.00 O ATOM 1033 CB GLU A 69 86.445 12.080 4.476 1.00 0.00 C ATOM 1034 CG GLU A 69 87.834 12.222 5.092 1.00 0.00 C ATOM 1035 CD GLU A 69 87.860 11.538 6.461 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.807 11.422 7.064 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.936 11.142 6.882 1.00 0.00 O ATOM 0 H GLU A 69 85.071 12.693 2.670 1.00 0.00 H new ATOM 0 HA GLU A 69 87.574 11.135 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.027 13.064 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.771 11.593 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.581 11.775 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.091 13.276 5.196 1.00 0.00 H new ATOM 1044 N ASP A 70 84.692 9.700 3.179 1.00 0.00 N ATOM 1045 CA ASP A 70 84.090 8.353 3.305 1.00 0.00 C ATOM 1046 C ASP A 70 84.311 7.626 1.990 1.00 0.00 C ATOM 1047 O ASP A 70 84.445 6.421 1.938 1.00 0.00 O ATOM 1048 CB ASP A 70 82.598 8.592 3.542 1.00 0.00 C ATOM 1049 CG ASP A 70 82.391 9.240 4.909 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.236 9.052 5.768 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.387 9.913 5.073 1.00 0.00 O ATOM 0 H ASP A 70 84.042 10.447 2.935 1.00 0.00 H new ATOM 0 HA ASP A 70 84.519 7.758 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.194 9.234 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.056 7.648 3.491 1.00 0.00 H new ATOM 1056 N LEU A 71 84.365 8.371 0.919 1.00 0.00 N ATOM 1057 CA LEU A 71 84.592 7.747 -0.405 1.00 0.00 C ATOM 1058 C LEU A 71 86.047 7.281 -0.516 1.00 0.00 C ATOM 1059 O LEU A 71 86.340 6.251 -1.090 1.00 0.00 O ATOM 1060 CB LEU A 71 84.299 8.851 -1.422 1.00 0.00 C ATOM 1061 CG LEU A 71 84.831 8.436 -2.794 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.797 8.778 -3.868 1.00 0.00 C ATOM 1063 CD2 LEU A 71 86.132 9.188 -3.083 1.00 0.00 C ATOM 0 H LEU A 71 84.261 9.386 0.909 1.00 0.00 H new ATOM 0 HA LEU A 71 83.962 6.873 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.226 9.034 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.766 9.784 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 71 85.020 7.363 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.177 8.482 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.869 8.245 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.608 9.851 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 71 86.513 8.893 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.941 10.261 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.870 8.946 -2.318 1.00 0.00 H new ATOM 1075 N GLU A 72 86.960 8.035 0.038 1.00 0.00 N ATOM 1076 CA GLU A 72 88.398 7.641 -0.026 1.00 0.00 C ATOM 1077 C GLU A 72 88.667 6.485 0.941 1.00 0.00 C ATOM 1078 O GLU A 72 89.422 5.575 0.650 1.00 0.00 O ATOM 1079 CB GLU A 72 89.171 8.890 0.397 1.00 0.00 C ATOM 1080 CG GLU A 72 89.997 9.404 -0.784 1.00 0.00 C ATOM 1081 CD GLU A 72 90.127 10.925 -0.693 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.989 11.384 0.038 1.00 0.00 O ATOM 1083 OE2 GLU A 72 89.361 11.606 -1.355 1.00 0.00 O ATOM 0 H GLU A 72 86.772 8.907 0.532 1.00 0.00 H new ATOM 0 HA GLU A 72 88.692 7.301 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.479 9.662 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.825 8.659 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.985 8.943 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.520 9.125 -1.724 1.00 0.00 H new ATOM 1090 N LYS A 73 88.029 6.494 2.080 1.00 0.00 N ATOM 1091 CA LYS A 73 88.228 5.386 3.040 1.00 0.00 C ATOM 1092 C LYS A 73 87.424 4.206 2.534 1.00 0.00 C ATOM 1093 O LYS A 73 87.740 3.059 2.778 1.00 0.00 O ATOM 1094 CB LYS A 73 87.679 5.894 4.373 1.00 0.00 C ATOM 1095 CG LYS A 73 88.832 6.411 5.237 1.00 0.00 C ATOM 1096 CD LYS A 73 88.446 7.758 5.852 1.00 0.00 C ATOM 1097 CE LYS A 73 88.267 7.596 7.363 1.00 0.00 C ATOM 1098 NZ LYS A 73 89.289 8.496 7.969 1.00 0.00 N ATOM 0 H LYS A 73 87.381 7.222 2.381 1.00 0.00 H new ATOM 0 HA LYS A 73 89.268 5.079 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.955 6.690 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.154 5.092 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.061 5.692 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.733 6.520 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 89.217 8.499 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 73 87.523 8.124 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 73 87.260 7.876 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.420 6.561 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.163 8.519 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.241 8.142 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.177 9.456 7.585 1.00 0.00 H new ATOM 1112 N ALA A 74 86.388 4.493 1.800 1.00 0.00 N ATOM 1113 CA ALA A 74 85.562 3.404 1.247 1.00 0.00 C ATOM 1114 C ALA A 74 86.353 2.689 0.154 1.00 0.00 C ATOM 1115 O ALA A 74 86.195 1.508 -0.075 1.00 0.00 O ATOM 1116 CB ALA A 74 84.324 4.083 0.671 1.00 0.00 C ATOM 0 H ALA A 74 86.083 5.437 1.563 1.00 0.00 H new ATOM 0 HA ALA A 74 85.285 2.660 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.663 3.330 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.800 4.617 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.623 4.788 -0.104 1.00 0.00 H new ATOM 1122 N LEU A 75 87.229 3.404 -0.506 1.00 0.00 N ATOM 1123 CA LEU A 75 88.058 2.773 -1.565 1.00 0.00 C ATOM 1124 C LEU A 75 89.076 1.864 -0.892 1.00 0.00 C ATOM 1125 O LEU A 75 89.254 0.722 -1.267 1.00 0.00 O ATOM 1126 CB LEU A 75 88.751 3.934 -2.279 1.00 0.00 C ATOM 1127 CG LEU A 75 89.184 3.486 -3.676 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.614 4.707 -4.492 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.360 2.514 -3.557 1.00 0.00 C ATOM 0 H LEU A 75 87.402 4.398 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 75 87.481 2.173 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.075 4.786 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.618 4.263 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 75 88.351 2.990 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.923 4.389 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.778 5.401 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.448 5.202 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.670 2.194 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.193 3.010 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.056 1.644 -2.974 1.00 0.00 H new ATOM 1141 N GLU A 76 89.729 2.358 0.125 1.00 0.00 N ATOM 1142 CA GLU A 76 90.713 1.512 0.846 1.00 0.00 C ATOM 1143 C GLU A 76 89.967 0.541 1.764 1.00 0.00 C ATOM 1144 O GLU A 76 90.557 -0.304 2.407 1.00 0.00 O ATOM 1145 CB GLU A 76 91.550 2.484 1.670 1.00 0.00 C ATOM 1146 CG GLU A 76 92.979 2.520 1.125 1.00 0.00 C ATOM 1147 CD GLU A 76 93.835 1.492 1.868 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.595 0.310 1.685 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.715 1.904 2.604 1.00 0.00 O ATOM 0 H GLU A 76 89.622 3.307 0.484 1.00 0.00 H new ATOM 0 HA GLU A 76 91.333 0.921 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.110 3.481 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.557 2.178 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 76 92.978 2.304 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.401 3.517 1.248 1.00 0.00 H new ATOM 1156 N LEU A 77 88.667 0.666 1.829 1.00 0.00 N ATOM 1157 CA LEU A 77 87.863 -0.236 2.700 1.00 0.00 C ATOM 1158 C LEU A 77 87.716 -1.616 2.054 1.00 0.00 C ATOM 1159 O LEU A 77 86.999 -2.465 2.546 1.00 0.00 O ATOM 1160 CB LEU A 77 86.502 0.453 2.810 1.00 0.00 C ATOM 1161 CG LEU A 77 86.243 0.876 4.258 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.892 -0.353 5.094 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.492 1.549 4.839 1.00 0.00 C ATOM 0 H LEU A 77 88.126 1.359 1.312 1.00 0.00 H new ATOM 0 HA LEU A 77 88.327 -0.397 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.473 1.325 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.715 -0.222 2.474 1.00 0.00 H new ATOM 0 HG LEU A 77 85.413 1.583 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.708 -0.051 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 77 84.997 -0.825 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 86.720 -1.061 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.299 1.847 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.327 0.849 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.739 2.430 4.247 1.00 0.00 H new ATOM 1175 N THR A 78 88.391 -1.856 0.961 1.00 0.00 N ATOM 1176 CA THR A 78 88.282 -3.188 0.302 1.00 0.00 C ATOM 1177 C THR A 78 89.102 -4.225 1.065 1.00 0.00 C ATOM 1178 O THR A 78 89.194 -5.373 0.678 1.00 0.00 O ATOM 1179 CB THR A 78 88.834 -2.988 -1.109 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.989 -2.098 -1.826 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.892 -4.335 -1.833 1.00 0.00 C ATOM 0 H THR A 78 89.010 -1.190 0.499 1.00 0.00 H new ATOM 0 HA THR A 78 87.255 -3.553 0.282 1.00 0.00 H new ATOM 0 HB THR A 78 89.838 -2.567 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.317 -1.180 -1.722 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.286 -4.191 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.542 -5.016 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.890 -4.759 -1.893 1.00 0.00 H new ATOM 1189 N GLY A 79 89.686 -3.826 2.151 1.00 0.00 N ATOM 1190 CA GLY A 79 90.496 -4.778 2.961 1.00 0.00 C ATOM 1191 C GLY A 79 89.748 -5.093 4.258 1.00 0.00 C ATOM 1192 O GLY A 79 90.345 -5.384 5.276 1.00 0.00 O ATOM 0 H GLY A 79 89.640 -2.876 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.674 -5.694 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.472 -4.346 3.185 1.00 0.00 H new ATOM 1196 N LEU A 80 88.444 -5.032 4.228 1.00 0.00 N ATOM 1197 CA LEU A 80 87.651 -5.317 5.456 1.00 0.00 C ATOM 1198 C LEU A 80 86.789 -6.558 5.251 1.00 0.00 C ATOM 1199 O LEU A 80 85.940 -6.609 4.384 1.00 0.00 O ATOM 1200 CB LEU A 80 86.800 -4.059 5.662 1.00 0.00 C ATOM 1201 CG LEU A 80 85.389 -4.423 6.140 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.476 -5.226 7.439 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.589 -3.141 6.385 1.00 0.00 C ATOM 0 H LEU A 80 87.893 -4.796 3.403 1.00 0.00 H new ATOM 0 HA LEU A 80 88.272 -5.526 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.279 -3.407 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.739 -3.500 4.728 1.00 0.00 H new ATOM 0 HG LEU A 80 84.893 -5.024 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 80 84.472 -5.483 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.045 -6.139 7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.973 -4.629 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.586 -3.398 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 80 85.088 -2.541 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.523 -2.570 5.459 1.00 0.00 H new ATOM 1215 N LYS A 81 86.993 -7.544 6.068 1.00 0.00 N ATOM 1216 CA LYS A 81 86.182 -8.783 5.961 1.00 0.00 C ATOM 1217 C LYS A 81 84.979 -8.669 6.850 1.00 0.00 C ATOM 1218 O LYS A 81 84.969 -9.052 8.001 1.00 0.00 O ATOM 1219 CB LYS A 81 87.067 -9.895 6.417 1.00 0.00 C ATOM 1220 CG LYS A 81 86.246 -11.171 6.607 1.00 0.00 C ATOM 1221 CD LYS A 81 87.188 -12.347 6.868 1.00 0.00 C ATOM 1222 CE LYS A 81 87.086 -13.349 5.715 1.00 0.00 C ATOM 1223 NZ LYS A 81 88.374 -14.095 5.741 1.00 0.00 N ATOM 0 H LYS A 81 87.691 -7.547 6.811 1.00 0.00 H new ATOM 0 HA LYS A 81 85.829 -8.956 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.857 -10.066 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 81 87.554 -9.623 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 81 85.556 -11.051 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 85.643 -11.364 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.214 -11.991 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 81 86.929 -12.832 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 81 86.238 -14.020 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 81 86.943 -12.841 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 88.381 -14.802 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.163 -13.431 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 88.479 -14.574 6.658 1.00 0.00 H new ATOM 1237 N VAL A 82 83.986 -8.124 6.286 1.00 0.00 N ATOM 1238 CA VAL A 82 82.695 -7.912 7.007 1.00 0.00 C ATOM 1239 C VAL A 82 82.322 -9.151 7.823 1.00 0.00 C ATOM 1240 O VAL A 82 82.888 -9.418 8.864 1.00 0.00 O ATOM 1241 CB VAL A 82 81.672 -7.629 5.906 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.291 -7.433 6.530 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.075 -6.356 5.161 1.00 0.00 C ATOM 0 H VAL A 82 83.989 -7.795 5.320 1.00 0.00 H new ATOM 0 HA VAL A 82 82.747 -7.092 7.723 1.00 0.00 H new ATOM 0 HB VAL A 82 81.641 -8.469 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.562 -7.231 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.004 -8.336 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.321 -6.592 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.349 -6.149 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.102 -5.519 5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 82 83.062 -6.491 4.718 1.00 0.00 H new ATOM 1253 N PHE A 83 81.374 -9.901 7.370 1.00 0.00 N ATOM 1254 CA PHE A 83 80.968 -11.119 8.124 1.00 0.00 C ATOM 1255 C PHE A 83 81.787 -12.322 7.653 1.00 0.00 C ATOM 1256 O PHE A 83 81.277 -13.415 7.506 1.00 0.00 O ATOM 1257 CB PHE A 83 79.483 -11.312 7.806 1.00 0.00 C ATOM 1258 CG PHE A 83 78.655 -10.662 8.890 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.357 -9.295 8.820 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.190 -11.424 9.969 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.596 -8.692 9.829 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.429 -10.820 10.978 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.133 -9.454 10.907 1.00 0.00 C ATOM 0 H PHE A 83 80.856 -9.730 6.508 1.00 0.00 H new ATOM 0 HA PHE A 83 81.138 -11.020 9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.246 -10.872 6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.248 -12.374 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.714 -8.706 7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.418 -12.478 10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.366 -7.638 9.775 1.00 0.00 H new ATOM 0 HE2 PHE A 83 77.071 -11.408 11.810 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.547 -8.988 11.685 1.00 0.00 H new ATOM 1273 N GLY A 84 83.058 -12.129 7.414 1.00 0.00 N ATOM 1274 CA GLY A 84 83.910 -13.262 6.954 1.00 0.00 C ATOM 1275 C GLY A 84 84.047 -13.212 5.432 1.00 0.00 C ATOM 1276 O GLY A 84 84.386 -14.191 4.798 1.00 0.00 O ATOM 0 H GLY A 84 83.541 -11.237 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.893 -13.204 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.468 -14.211 7.259 1.00 0.00 H new ATOM 1280 N ASN A 85 83.790 -12.079 4.840 1.00 0.00 N ATOM 1281 CA ASN A 85 83.910 -11.970 3.358 1.00 0.00 C ATOM 1282 C ASN A 85 84.372 -10.565 2.970 1.00 0.00 C ATOM 1283 O ASN A 85 83.575 -9.665 2.800 1.00 0.00 O ATOM 1284 CB ASN A 85 82.500 -12.239 2.827 1.00 0.00 C ATOM 1285 CG ASN A 85 81.996 -13.577 3.370 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.451 -13.622 4.555 1.00 0.00 O flip ATOM 1287 ND2 ASN A 85 82.100 -14.592 2.711 1.00 0.00 N flip ATOM 0 H ASN A 85 83.502 -11.224 5.317 1.00 0.00 H new ATOM 0 HA ASN A 85 84.639 -12.669 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.827 -11.436 3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.508 -12.257 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.526 -14.557 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.761 -15.479 3.084 1.00 0.00 H new ATOM 1294 N GLU A 86 85.655 -10.371 2.831 1.00 0.00 N ATOM 1295 CA GLU A 86 86.165 -9.021 2.454 1.00 0.00 C ATOM 1296 C GLU A 86 85.301 -8.423 1.349 1.00 0.00 C ATOM 1297 O GLU A 86 85.503 -8.675 0.177 1.00 0.00 O ATOM 1298 CB GLU A 86 87.587 -9.249 1.962 1.00 0.00 C ATOM 1299 CG GLU A 86 88.391 -9.988 3.035 1.00 0.00 C ATOM 1300 CD GLU A 86 89.072 -11.208 2.412 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.395 -12.205 2.219 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.259 -11.125 2.140 1.00 0.00 O ATOM 0 H GLU A 86 86.371 -11.086 2.962 1.00 0.00 H new ATOM 0 HA GLU A 86 86.138 -8.323 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.574 -9.829 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.060 -8.294 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 86 89.138 -9.323 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.734 -10.300 3.847 1.00 0.00 H new ATOM 1309 N ILE A 87 84.339 -7.631 1.718 1.00 0.00 N ATOM 1310 CA ILE A 87 83.451 -7.009 0.696 1.00 0.00 C ATOM 1311 C ILE A 87 84.277 -6.175 -0.284 1.00 0.00 C ATOM 1312 O ILE A 87 85.069 -5.340 0.105 1.00 0.00 O ATOM 1313 CB ILE A 87 82.490 -6.117 1.482 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.290 -5.180 2.391 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.565 -6.991 2.331 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.413 -3.807 1.726 1.00 0.00 C ATOM 0 H ILE A 87 84.126 -7.385 2.685 1.00 0.00 H new ATOM 0 HA ILE A 87 82.918 -7.756 0.109 1.00 0.00 H new ATOM 0 HB ILE A 87 81.893 -5.524 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.796 -5.085 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.280 -5.595 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.879 -6.357 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.995 -7.656 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.161 -7.584 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.982 -3.139 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.926 -3.911 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.419 -3.392 1.562 1.00 0.00 H new ATOM 1328 N LYS A 88 84.088 -6.393 -1.554 1.00 0.00 N ATOM 1329 CA LYS A 88 84.851 -5.615 -2.571 1.00 0.00 C ATOM 1330 C LYS A 88 83.937 -4.566 -3.200 1.00 0.00 C ATOM 1331 O LYS A 88 82.818 -4.849 -3.572 1.00 0.00 O ATOM 1332 CB LYS A 88 85.290 -6.636 -3.621 1.00 0.00 C ATOM 1333 CG LYS A 88 85.777 -7.913 -2.929 1.00 0.00 C ATOM 1334 CD LYS A 88 87.110 -8.346 -3.540 1.00 0.00 C ATOM 1335 CE LYS A 88 88.113 -8.643 -2.423 1.00 0.00 C ATOM 1336 NZ LYS A 88 89.092 -9.588 -3.028 1.00 0.00 N ATOM 0 H LYS A 88 83.436 -7.079 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 88 85.705 -5.093 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.459 -6.867 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 88 86.086 -6.219 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.895 -7.738 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.038 -8.706 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.967 -9.231 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.496 -7.561 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.603 -7.732 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.620 -9.085 -1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 89.813 -9.839 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.597 -10.448 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.550 -9.137 -3.846 1.00 0.00 H new ATOM 1350 N LEU A 89 84.393 -3.354 -3.315 1.00 0.00 N ATOM 1351 CA LEU A 89 83.531 -2.303 -3.908 1.00 0.00 C ATOM 1352 C LEU A 89 84.054 -1.869 -5.274 1.00 0.00 C ATOM 1353 O LEU A 89 85.105 -2.287 -5.717 1.00 0.00 O ATOM 1354 CB LEU A 89 83.584 -1.140 -2.920 1.00 0.00 C ATOM 1355 CG LEU A 89 85.022 -0.916 -2.451 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.277 0.583 -2.289 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.235 -1.616 -1.108 1.00 0.00 C ATOM 0 H LEU A 89 85.322 -3.047 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 89 82.514 -2.661 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.201 -0.235 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.942 -1.350 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 89 85.713 -1.325 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.302 0.744 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.125 1.083 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.586 0.992 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.260 -1.457 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.545 -1.206 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.052 -2.685 -1.222 1.00 0.00 H new ATOM 1369 N GLU A 90 83.314 -1.034 -5.945 1.00 0.00 N ATOM 1370 CA GLU A 90 83.744 -0.563 -7.289 1.00 0.00 C ATOM 1371 C GLU A 90 82.788 0.532 -7.782 1.00 0.00 C ATOM 1372 O GLU A 90 81.583 0.389 -7.724 1.00 0.00 O ATOM 1373 CB GLU A 90 83.667 -1.815 -8.173 1.00 0.00 C ATOM 1374 CG GLU A 90 83.417 -1.417 -9.628 1.00 0.00 C ATOM 1375 CD GLU A 90 84.295 -2.266 -10.550 1.00 0.00 C ATOM 1376 OE1 GLU A 90 83.889 -3.371 -10.870 1.00 0.00 O ATOM 1377 OE2 GLU A 90 85.359 -1.797 -10.919 1.00 0.00 O ATOM 0 H GLU A 90 82.425 -0.655 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 90 84.743 -0.128 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.596 -2.381 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 90 82.867 -2.467 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 90 82.366 -1.558 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.639 -0.359 -9.770 1.00 0.00 H new