USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 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 Single : A 16 THR OG1 : rot 46:sc= 0.414 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00995 USER MOD Single : A 33 SER OG : rot 19:sc= 1.02 USER MOD Single : A 37 GLN : amide:sc= -2.67 K(o=-2.7,f=-3.6!) USER MOD Single : A 43 SER OG : rot -107:sc= 0.00307 USER MOD Single : A 44 MET CE :methyl -165:sc= -1.38 (180deg=-1.58) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 46 ASN : amide:sc= 1.15 K(o=1.2,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 63:sc= -0.0672 USER MOD Single : A 58 LYS NZ :NH3+ -129:sc= -1.41 (180deg=-5.87!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 144:sc= -1.79! (180deg=-5.07!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-1.5) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -116:sc= 0.916 (180deg=-0.335!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 172:sc= -0.683 (180deg=-0.852) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.790 -2.075 -5.331 1.00 0.00 N ATOM 191 CA THR A 16 -10.655 -1.015 -4.829 1.00 0.00 C ATOM 192 C THR A 16 -11.563 -1.526 -3.716 1.00 0.00 C ATOM 193 O THR A 16 -12.573 -2.181 -3.978 1.00 0.00 O ATOM 194 CB THR A 16 -11.525 -0.420 -5.953 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.184 -1.471 -6.670 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.680 0.403 -6.913 1.00 0.00 C ATOM 0 HA THR A 16 -10.003 -0.236 -4.433 1.00 0.00 H new ATOM 0 HB THR A 16 -12.270 0.233 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.565 -2.112 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.316 0.813 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.203 1.219 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.915 -0.232 -7.360 1.00 0.00 H new ATOM 204 N ILE A 17 -11.198 -1.223 -2.475 1.00 0.00 N ATOM 205 CA ILE A 17 -11.982 -1.651 -1.323 1.00 0.00 C ATOM 206 C ILE A 17 -12.159 -0.512 -0.325 1.00 0.00 C ATOM 207 O ILE A 17 -11.184 0.090 0.125 1.00 0.00 O ATOM 208 CB ILE A 17 -11.325 -2.847 -0.609 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.251 -4.052 -1.548 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.097 -3.198 0.654 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.172 -5.045 -1.173 1.00 0.00 C ATOM 0 H ILE A 17 -10.365 -0.683 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.958 -1.955 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.310 -2.570 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.216 -4.560 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.073 -3.700 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.621 -4.045 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.102 -2.341 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.122 -3.460 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.177 -5.873 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.200 -4.553 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.361 -5.425 -0.169 1.00 0.00 H new ATOM 223 N ILE A 18 -13.410 -0.223 0.018 1.00 0.00 N ATOM 224 CA ILE A 18 -13.715 0.842 0.965 1.00 0.00 C ATOM 225 C ILE A 18 -13.901 0.288 2.374 1.00 0.00 C ATOM 226 O ILE A 18 -14.645 -0.671 2.583 1.00 0.00 O ATOM 227 CB ILE A 18 -14.985 1.612 0.557 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.819 2.207 -0.843 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.290 2.705 1.570 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.556 3.024 -1.006 1.00 0.00 C ATOM 0 H ILE A 18 -14.228 -0.711 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.866 1.526 0.955 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.824 0.916 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.816 1.399 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.681 2.836 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.190 3.240 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.446 2.258 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.453 3.401 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.504 3.415 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.565 3.853 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.688 2.394 -0.815 1.00 0.00 H new ATOM 242 N LEU A 19 -13.222 0.900 3.338 1.00 0.00 N ATOM 243 CA LEU A 19 -13.313 0.470 4.729 1.00 0.00 C ATOM 244 C LEU A 19 -14.310 1.328 5.500 1.00 0.00 C ATOM 245 O LEU A 19 -14.327 2.554 5.391 1.00 0.00 O ATOM 246 CB LEU A 19 -11.938 0.541 5.397 1.00 0.00 C ATOM 247 CG LEU A 19 -11.690 -0.455 6.530 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.723 -1.882 6.004 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.361 -0.167 7.212 1.00 0.00 C ATOM 0 H LEU A 19 -12.603 1.695 3.182 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.663 -0.562 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.176 0.388 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.798 1.549 5.789 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.486 -0.343 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.544 -2.577 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.699 -2.085 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.949 -2.009 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.201 -0.886 8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.553 -0.250 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.375 0.842 7.625 1.00 0.00 H new ATOM 261 N PRO A 20 -15.162 0.670 6.301 1.00 0.00 N ATOM 262 CA PRO A 20 -16.177 1.354 7.109 1.00 0.00 C ATOM 263 C PRO A 20 -15.564 2.154 8.253 1.00 0.00 C ATOM 264 O PRO A 20 -14.346 2.181 8.420 1.00 0.00 O ATOM 265 CB PRO A 20 -17.028 0.205 7.655 1.00 0.00 C ATOM 266 CG PRO A 20 -16.117 -0.974 7.658 1.00 0.00 C ATOM 267 CD PRO A 20 -15.200 -0.791 6.480 1.00 0.00 C ATOM 0 HA PRO A 20 -16.742 2.081 6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.394 0.425 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.902 0.028 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.551 -1.028 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.681 -1.903 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.208 -1.198 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.581 -1.295 5.592 1.00 0.00 H new ATOM 275 N GLU A 21 -16.418 2.803 9.038 1.00 0.00 N ATOM 276 CA GLU A 21 -15.959 3.604 10.167 1.00 0.00 C ATOM 277 C GLU A 21 -15.900 2.766 11.441 1.00 0.00 C ATOM 278 O GLU A 21 -15.867 3.302 12.549 1.00 0.00 O ATOM 279 CB GLU A 21 -16.882 4.807 10.377 1.00 0.00 C ATOM 280 CG GLU A 21 -18.319 4.423 10.691 1.00 0.00 C ATOM 281 CD GLU A 21 -19.169 5.617 11.081 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.298 6.547 10.257 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.705 5.622 12.208 1.00 0.00 O ATOM 0 H GLU A 21 -17.430 2.790 8.913 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.954 3.961 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.491 5.417 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.868 5.426 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.760 3.936 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.328 3.695 11.502 1.00 0.00 H new ATOM 290 N ASP A 22 -15.888 1.448 11.275 1.00 0.00 N ATOM 291 CA ASP A 22 -15.833 0.535 12.410 1.00 0.00 C ATOM 292 C ASP A 22 -14.442 -0.076 12.549 1.00 0.00 C ATOM 293 O ASP A 22 -14.134 -0.721 13.552 1.00 0.00 O ATOM 294 CB ASP A 22 -16.876 -0.572 12.252 1.00 0.00 C ATOM 295 CG ASP A 22 -18.210 -0.204 12.872 1.00 0.00 C ATOM 296 OD1 ASP A 22 -18.741 0.876 12.539 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.723 -0.996 13.690 1.00 0.00 O ATOM 0 H ASP A 22 -15.916 0.988 10.365 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.052 1.104 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.018 -0.785 11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.504 -1.486 12.714 1.00 0.00 H new ATOM 302 N ILE A 23 -13.607 0.131 11.536 1.00 0.00 N ATOM 303 CA ILE A 23 -12.249 -0.400 11.546 1.00 0.00 C ATOM 304 C ILE A 23 -11.242 0.675 11.940 1.00 0.00 C ATOM 305 O ILE A 23 -11.434 1.855 11.649 1.00 0.00 O ATOM 306 CB ILE A 23 -11.859 -0.973 10.171 1.00 0.00 C ATOM 307 CG1 ILE A 23 -13.103 -1.461 9.425 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.855 -2.105 10.334 1.00 0.00 C ATOM 309 CD1 ILE A 23 -14.022 -2.310 10.275 1.00 0.00 C ATOM 0 H ILE A 23 -13.847 0.662 10.699 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.229 -1.202 12.284 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.393 -0.182 9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.657 -0.598 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.792 -2.037 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.589 -2.500 9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.960 -1.729 10.829 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.296 -2.899 10.937 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.882 -2.621 9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.484 -3.192 10.623 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.363 -1.730 11.133 1.00 0.00 H new ATOM 321 N GLU A 24 -10.168 0.258 12.603 1.00 0.00 N ATOM 322 CA GLU A 24 -9.129 1.185 13.036 1.00 0.00 C ATOM 323 C GLU A 24 -7.919 1.119 12.109 1.00 0.00 C ATOM 324 O GLU A 24 -7.326 0.056 11.919 1.00 0.00 O ATOM 325 CB GLU A 24 -8.704 0.875 14.472 1.00 0.00 C ATOM 326 CG GLU A 24 -7.398 1.538 14.877 1.00 0.00 C ATOM 327 CD GLU A 24 -7.062 1.320 16.339 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.671 0.189 16.697 1.00 0.00 O ATOM 329 OE2 GLU A 24 -7.189 2.282 17.126 1.00 0.00 O ATOM 0 H GLU A 24 -9.995 -0.716 12.852 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.539 2.194 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.492 1.198 15.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.605 -0.204 14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.589 1.146 14.260 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.461 2.608 14.678 1.00 0.00 H new ATOM 336 N LEU A 25 -7.558 2.261 11.534 1.00 0.00 N ATOM 337 CA LEU A 25 -6.418 2.333 10.626 1.00 0.00 C ATOM 338 C LEU A 25 -5.165 2.799 11.361 1.00 0.00 C ATOM 339 O LEU A 25 -5.130 3.897 11.917 1.00 0.00 O ATOM 340 CB LEU A 25 -6.725 3.282 9.466 1.00 0.00 C ATOM 341 CG LEU A 25 -7.679 2.748 8.397 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.813 3.744 7.256 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.197 1.401 7.877 1.00 0.00 C ATOM 0 H LEU A 25 -8.038 3.149 11.680 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.235 1.333 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.147 4.200 9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.785 3.551 8.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.661 2.610 8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.496 3.347 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.204 4.686 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.836 3.914 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.888 1.036 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.204 1.513 7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.153 0.688 8.700 1.00 0.00 H new ATOM 355 N LYS A 26 -4.137 1.958 11.358 1.00 0.00 N ATOM 356 CA LYS A 26 -2.880 2.283 12.021 1.00 0.00 C ATOM 357 C LYS A 26 -1.866 2.836 11.024 1.00 0.00 C ATOM 358 O LYS A 26 -1.785 2.397 9.876 1.00 0.00 O ATOM 359 CB LYS A 26 -2.308 1.043 12.712 1.00 0.00 C ATOM 360 CG LYS A 26 -3.133 0.572 13.896 1.00 0.00 C ATOM 361 CD LYS A 26 -3.026 -0.932 14.088 1.00 0.00 C ATOM 362 CE LYS A 26 -4.074 -1.674 13.273 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.987 -3.148 13.468 1.00 0.00 N ATOM 0 H LYS A 26 -4.150 1.045 10.903 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.081 3.048 12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.235 0.234 11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.295 1.260 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.797 1.080 14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.177 0.847 13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.031 -1.267 13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.146 -1.174 15.144 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.068 -1.328 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.946 -1.439 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.718 -3.618 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.048 -3.482 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.135 -3.375 14.472 1.00 0.00 H new ATOM 377 N PRO A 27 -1.072 3.820 11.470 1.00 0.00 N ATOM 378 CA PRO A 27 -0.048 4.452 10.633 1.00 0.00 C ATOM 379 C PRO A 27 1.117 3.514 10.336 1.00 0.00 C ATOM 380 O PRO A 27 1.968 3.273 11.194 1.00 0.00 O ATOM 381 CB PRO A 27 0.422 5.637 11.480 1.00 0.00 C ATOM 382 CG PRO A 27 0.130 5.237 12.885 1.00 0.00 C ATOM 383 CD PRO A 27 -1.113 4.393 12.826 1.00 0.00 C ATOM 0 HA PRO A 27 -0.439 4.738 9.657 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.485 5.830 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.107 6.551 11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.962 4.677 13.312 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.022 6.112 13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.108 3.616 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.012 4.990 12.983 1.00 0.00 H new ATOM 391 N LEU A 28 1.151 2.988 9.117 1.00 0.00 N ATOM 392 CA LEU A 28 2.213 2.076 8.706 1.00 0.00 C ATOM 393 C LEU A 28 3.487 2.843 8.364 1.00 0.00 C ATOM 394 O LEU A 28 4.587 2.435 8.734 1.00 0.00 O ATOM 395 CB LEU A 28 1.764 1.248 7.501 1.00 0.00 C ATOM 396 CG LEU A 28 2.871 0.792 6.550 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.418 -0.415 5.743 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.283 1.929 5.626 1.00 0.00 C ATOM 0 H LEU A 28 0.455 3.177 8.395 1.00 0.00 H new ATOM 0 HA LEU A 28 2.426 1.407 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.240 0.365 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.042 1.834 6.932 1.00 0.00 H new ATOM 0 HG LEU A 28 3.737 0.502 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.219 -0.725 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.174 -1.234 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.536 -0.152 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.072 1.586 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.423 2.251 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.650 2.766 6.220 1.00 0.00 H new ATOM 410 N GLY A 29 3.329 3.958 7.657 1.00 0.00 N ATOM 411 CA GLY A 29 4.475 4.765 7.279 1.00 0.00 C ATOM 412 C GLY A 29 4.092 5.939 6.400 1.00 0.00 C ATOM 413 O GLY A 29 2.963 6.424 6.459 1.00 0.00 O ATOM 0 H GLY A 29 2.429 4.317 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.968 5.134 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.197 4.141 6.752 1.00 0.00 H new ATOM 417 N MET A 30 5.035 6.397 5.584 1.00 0.00 N ATOM 418 CA MET A 30 4.790 7.522 4.689 1.00 0.00 C ATOM 419 C MET A 30 5.614 7.391 3.412 1.00 0.00 C ATOM 420 O MET A 30 6.791 7.032 3.455 1.00 0.00 O ATOM 421 CB MET A 30 5.122 8.841 5.390 1.00 0.00 C ATOM 422 CG MET A 30 5.361 9.996 4.431 1.00 0.00 C ATOM 423 SD MET A 30 7.094 10.159 3.959 1.00 0.00 S ATOM 424 CE MET A 30 7.755 11.013 5.388 1.00 0.00 C ATOM 0 H MET A 30 5.976 6.007 5.524 1.00 0.00 H new ATOM 0 HA MET A 30 3.733 7.517 4.421 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.305 9.101 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.010 8.702 6.007 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.757 9.851 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.026 10.924 4.895 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.822 11.187 5.247 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.245 11.968 5.509 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.601 10.404 6.279 1.00 0.00 H new ATOM 434 N VAL A 31 4.989 7.683 2.276 1.00 0.00 N ATOM 435 CA VAL A 31 5.665 7.598 0.987 1.00 0.00 C ATOM 436 C VAL A 31 7.053 8.225 1.052 1.00 0.00 C ATOM 437 O VAL A 31 7.191 9.431 1.261 1.00 0.00 O ATOM 438 CB VAL A 31 4.851 8.293 -0.120 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.554 8.162 -1.463 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.444 7.717 -0.188 1.00 0.00 C ATOM 0 H VAL A 31 4.015 7.981 2.222 1.00 0.00 H new ATOM 0 HA VAL A 31 5.759 6.539 0.748 1.00 0.00 H new ATOM 0 HB VAL A 31 4.774 9.353 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.964 8.659 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.539 8.626 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.664 7.107 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.883 8.220 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.498 6.650 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.942 7.868 0.768 1.00 0.00 H new ATOM 450 N SER A 32 8.078 7.400 0.871 1.00 0.00 N ATOM 451 CA SER A 32 9.457 7.873 0.912 1.00 0.00 C ATOM 452 C SER A 32 10.007 8.068 -0.497 1.00 0.00 C ATOM 453 O SER A 32 10.837 8.945 -0.736 1.00 0.00 O ATOM 454 CB SER A 32 10.335 6.884 1.682 1.00 0.00 C ATOM 455 OG SER A 32 10.043 5.548 1.312 1.00 0.00 O ATOM 0 H SER A 32 7.980 6.400 0.694 1.00 0.00 H new ATOM 0 HA SER A 32 9.470 8.835 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.386 7.097 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.178 7.011 2.753 1.00 0.00 H new ATOM 0 HG SER A 32 10.618 4.936 1.817 1.00 0.00 H new ATOM 461 N SER A 33 9.538 7.243 -1.428 1.00 0.00 N ATOM 462 CA SER A 33 9.984 7.321 -2.814 1.00 0.00 C ATOM 463 C SER A 33 8.984 6.644 -3.746 1.00 0.00 C ATOM 464 O SER A 33 8.032 6.006 -3.295 1.00 0.00 O ATOM 465 CB SER A 33 11.361 6.671 -2.966 1.00 0.00 C ATOM 466 OG SER A 33 12.386 7.535 -2.507 1.00 0.00 O ATOM 0 H SER A 33 8.849 6.513 -1.247 1.00 0.00 H new ATOM 0 HA SER A 33 10.054 8.374 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.390 5.737 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.534 6.419 -4.012 1.00 0.00 H new ATOM 0 HG SER A 33 11.999 8.219 -1.922 1.00 0.00 H new ATOM 472 N ILE A 34 9.207 6.787 -5.048 1.00 0.00 N ATOM 473 CA ILE A 34 8.327 6.189 -6.044 1.00 0.00 C ATOM 474 C ILE A 34 9.127 5.452 -7.112 1.00 0.00 C ATOM 475 O ILE A 34 10.067 6.001 -7.687 1.00 0.00 O ATOM 476 CB ILE A 34 7.442 7.250 -6.723 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.380 7.761 -5.746 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.788 6.676 -7.971 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.828 8.959 -4.938 1.00 0.00 C ATOM 0 H ILE A 34 9.990 7.312 -5.438 1.00 0.00 H new ATOM 0 HA ILE A 34 7.689 5.480 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 34 8.071 8.089 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.482 8.025 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.107 6.955 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.166 7.439 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.559 6.356 -8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.170 5.821 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.025 9.266 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.708 8.694 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.073 9.781 -5.611 1.00 0.00 H new ATOM 491 N ILE A 35 8.746 4.206 -7.374 1.00 0.00 N ATOM 492 CA ILE A 35 9.426 3.394 -8.376 1.00 0.00 C ATOM 493 C ILE A 35 8.832 3.620 -9.762 1.00 0.00 C ATOM 494 O ILE A 35 7.686 4.048 -9.894 1.00 0.00 O ATOM 495 CB ILE A 35 9.348 1.895 -8.034 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.068 1.613 -6.713 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.947 1.063 -9.158 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.032 0.157 -6.305 1.00 0.00 C ATOM 0 H ILE A 35 7.970 3.737 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 35 10.471 3.704 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 35 8.300 1.617 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.107 1.932 -6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.614 2.214 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.884 0.006 -8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.395 1.246 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.991 1.341 -9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.561 0.031 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.997 -0.162 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.512 -0.448 -7.074 1.00 0.00 H new ATOM 510 N GLU A 36 9.619 3.326 -10.793 1.00 0.00 N ATOM 511 CA GLU A 36 9.168 3.496 -12.169 1.00 0.00 C ATOM 512 C GLU A 36 7.671 3.229 -12.289 1.00 0.00 C ATOM 513 O GLU A 36 6.952 3.965 -12.964 1.00 0.00 O ATOM 514 CB GLU A 36 9.940 2.559 -13.101 1.00 0.00 C ATOM 515 CG GLU A 36 11.427 2.865 -13.177 1.00 0.00 C ATOM 516 CD GLU A 36 11.761 3.872 -14.260 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.708 5.087 -13.976 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.074 3.446 -15.391 1.00 0.00 O ATOM 0 H GLU A 36 10.570 2.970 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 36 9.360 4.528 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.806 1.532 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.513 2.623 -14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.765 3.247 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.975 1.941 -13.363 1.00 0.00 H new ATOM 525 N GLN A 37 7.209 2.172 -11.628 1.00 0.00 N ATOM 526 CA GLN A 37 5.798 1.808 -11.661 1.00 0.00 C ATOM 527 C GLN A 37 5.249 1.625 -10.250 1.00 0.00 C ATOM 528 O GLN A 37 4.100 1.968 -9.970 1.00 0.00 O ATOM 529 CB GLN A 37 5.600 0.523 -12.468 1.00 0.00 C ATOM 530 CG GLN A 37 6.590 -0.575 -12.115 1.00 0.00 C ATOM 531 CD GLN A 37 7.930 -0.396 -12.801 1.00 0.00 C ATOM 532 OE1 GLN A 37 8.980 -0.448 -12.160 1.00 0.00 O ATOM 533 NE2 GLN A 37 7.901 -0.184 -14.111 1.00 0.00 N ATOM 0 H GLN A 37 7.791 1.553 -11.064 1.00 0.00 H new ATOM 0 HA GLN A 37 5.251 2.619 -12.141 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.587 0.154 -12.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.689 0.753 -13.530 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.738 -0.592 -11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.170 -1.541 -12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.008 -0.149 -14.602 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.772 -0.057 -14.626 1.00 0.00 H new ATOM 542 N LEU A 38 6.078 1.084 -9.364 1.00 0.00 N ATOM 543 CA LEU A 38 5.676 0.855 -7.981 1.00 0.00 C ATOM 544 C LEU A 38 5.938 2.091 -7.126 1.00 0.00 C ATOM 545 O LEU A 38 6.501 3.078 -7.599 1.00 0.00 O ATOM 546 CB LEU A 38 6.425 -0.347 -7.403 1.00 0.00 C ATOM 547 CG LEU A 38 6.313 -1.651 -8.193 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.002 -1.698 -8.963 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.495 -1.804 -9.140 1.00 0.00 C ATOM 0 H LEU A 38 7.033 0.796 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 38 4.606 0.648 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.480 -0.086 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.059 -0.526 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 38 6.327 -2.482 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.940 -2.633 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.167 -1.635 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.958 -0.859 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.399 -2.738 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.512 -0.967 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.422 -1.817 -8.566 1.00 0.00 H new ATOM 561 N VAL A 39 5.528 2.029 -5.863 1.00 0.00 N ATOM 562 CA VAL A 39 5.721 3.142 -4.941 1.00 0.00 C ATOM 563 C VAL A 39 6.414 2.682 -3.663 1.00 0.00 C ATOM 564 O VAL A 39 6.100 1.622 -3.121 1.00 0.00 O ATOM 565 CB VAL A 39 4.381 3.806 -4.574 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.581 4.844 -3.481 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.743 4.433 -5.805 1.00 0.00 C ATOM 0 H VAL A 39 5.060 1.220 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 39 6.351 3.870 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 39 3.707 3.038 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.623 5.302 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.992 4.363 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.272 5.612 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.797 4.898 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.412 5.189 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.563 3.662 -6.554 1.00 0.00 H new ATOM 577 N ILE A 40 7.359 3.487 -3.187 1.00 0.00 N ATOM 578 CA ILE A 40 8.096 3.163 -1.972 1.00 0.00 C ATOM 579 C ILE A 40 7.522 3.903 -0.768 1.00 0.00 C ATOM 580 O ILE A 40 7.249 5.102 -0.836 1.00 0.00 O ATOM 581 CB ILE A 40 9.589 3.511 -2.110 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.137 2.986 -3.439 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.377 2.936 -0.943 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.371 1.492 -3.449 1.00 0.00 C ATOM 0 H ILE A 40 7.632 4.367 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 40 7.995 2.089 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 40 9.696 4.596 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.439 3.241 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.075 3.494 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.431 3.191 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.000 3.353 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.265 1.852 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.759 1.191 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.092 1.231 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.431 0.975 -3.258 1.00 0.00 H new ATOM 596 N ILE A 41 7.344 3.181 0.333 1.00 0.00 N ATOM 597 CA ILE A 41 6.806 3.770 1.553 1.00 0.00 C ATOM 598 C ILE A 41 7.687 3.447 2.754 1.00 0.00 C ATOM 599 O ILE A 41 7.884 2.281 3.096 1.00 0.00 O ATOM 600 CB ILE A 41 5.374 3.276 1.833 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.477 3.532 0.621 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.811 3.959 3.070 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.367 2.516 0.465 1.00 0.00 C ATOM 0 H ILE A 41 7.564 2.188 0.405 1.00 0.00 H new ATOM 0 HA ILE A 41 6.786 4.849 1.400 1.00 0.00 H new ATOM 0 HB ILE A 41 5.405 2.202 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.039 4.526 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.089 3.530 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.799 3.600 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.440 3.730 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.790 5.037 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.771 2.760 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.798 1.522 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.731 2.533 1.350 1.00 0.00 H new ATOM 615 N GLU A 42 8.215 4.488 3.392 1.00 0.00 N ATOM 616 CA GLU A 42 9.075 4.314 4.556 1.00 0.00 C ATOM 617 C GLU A 42 8.244 4.147 5.826 1.00 0.00 C ATOM 618 O GLU A 42 7.237 4.828 6.016 1.00 0.00 O ATOM 619 CB GLU A 42 10.018 5.509 4.705 1.00 0.00 C ATOM 620 CG GLU A 42 10.736 5.556 6.043 1.00 0.00 C ATOM 621 CD GLU A 42 11.313 6.924 6.348 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.527 7.890 6.449 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.550 7.030 6.486 1.00 0.00 O ATOM 0 H GLU A 42 8.062 5.460 3.122 1.00 0.00 H new ATOM 0 HA GLU A 42 9.666 3.410 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.759 5.478 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.448 6.429 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.041 5.275 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.539 4.818 6.046 1.00 0.00 H new ATOM 630 N SER A 43 8.675 3.235 6.692 1.00 0.00 N ATOM 631 CA SER A 43 7.970 2.974 7.941 1.00 0.00 C ATOM 632 C SER A 43 8.541 3.821 9.074 1.00 0.00 C ATOM 633 O SER A 43 9.644 4.357 8.968 1.00 0.00 O ATOM 634 CB SER A 43 8.061 1.490 8.303 1.00 0.00 C ATOM 635 OG SER A 43 9.205 1.228 9.097 1.00 0.00 O ATOM 0 H SER A 43 9.509 2.665 6.551 1.00 0.00 H new ATOM 0 HA SER A 43 6.923 3.243 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.163 1.188 8.842 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.102 0.892 7.392 1.00 0.00 H new ATOM 0 HG SER A 43 9.873 0.751 8.561 1.00 0.00 H new ATOM 641 N MET A 44 7.781 3.938 10.158 1.00 0.00 N ATOM 642 CA MET A 44 8.211 4.719 11.312 1.00 0.00 C ATOM 643 C MET A 44 8.643 3.806 12.456 1.00 0.00 C ATOM 644 O MET A 44 9.830 3.700 12.766 1.00 0.00 O ATOM 645 CB MET A 44 7.085 5.643 11.779 1.00 0.00 C ATOM 646 CG MET A 44 6.287 6.252 10.637 1.00 0.00 C ATOM 647 SD MET A 44 7.014 7.782 10.020 1.00 0.00 S ATOM 648 CE MET A 44 6.446 7.766 8.322 1.00 0.00 C ATOM 0 H MET A 44 6.865 3.502 10.261 1.00 0.00 H new ATOM 0 HA MET A 44 9.066 5.324 11.011 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.410 5.082 12.425 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.510 6.445 12.382 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.219 5.532 9.822 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.269 6.448 10.974 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.018 8.489 7.740 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.585 6.770 7.901 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.389 8.029 8.290 1.00 0.00 H new ATOM 658 N THR A 45 7.671 3.149 13.082 1.00 0.00 N ATOM 659 CA THR A 45 7.950 2.247 14.192 1.00 0.00 C ATOM 660 C THR A 45 6.679 1.557 14.673 1.00 0.00 C ATOM 661 O THR A 45 5.587 1.833 14.178 1.00 0.00 O ATOM 662 CB THR A 45 8.593 2.995 15.375 1.00 0.00 C ATOM 663 OG1 THR A 45 8.964 2.065 16.399 1.00 0.00 O ATOM 664 CG2 THR A 45 7.636 4.030 15.946 1.00 0.00 C ATOM 0 H THR A 45 6.683 3.225 12.839 1.00 0.00 H new ATOM 0 HA THR A 45 8.649 1.497 13.822 1.00 0.00 H new ATOM 0 HB THR A 45 9.483 3.508 15.011 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.374 2.548 17.147 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.112 4.545 16.780 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.378 4.753 15.172 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.730 3.534 16.295 1.00 0.00 H new ATOM 672 N ASN A 46 6.829 0.658 15.640 1.00 0.00 N ATOM 673 CA ASN A 46 5.691 -0.073 16.187 1.00 0.00 C ATOM 674 C ASN A 46 4.870 -0.715 15.074 1.00 0.00 C ATOM 675 O ASN A 46 3.647 -0.819 15.170 1.00 0.00 O ATOM 676 CB ASN A 46 4.807 0.864 17.013 1.00 0.00 C ATOM 677 CG ASN A 46 4.118 0.149 18.158 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.360 0.448 19.328 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.253 -0.804 17.827 1.00 0.00 N ATOM 0 H ASN A 46 7.727 0.418 16.061 1.00 0.00 H new ATOM 0 HA ASN A 46 6.075 -0.863 16.832 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.415 1.677 17.409 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.055 1.315 16.365 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.759 -1.320 18.555 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.083 -1.019 16.845 1.00 0.00 H new ATOM 686 N LEU A 47 5.551 -1.146 14.018 1.00 0.00 N ATOM 687 CA LEU A 47 4.886 -1.780 12.885 1.00 0.00 C ATOM 688 C LEU A 47 4.700 -3.274 13.128 1.00 0.00 C ATOM 689 O LEU A 47 5.641 -3.995 13.463 1.00 0.00 O ATOM 690 CB LEU A 47 5.692 -1.557 11.604 1.00 0.00 C ATOM 691 CG LEU A 47 5.346 -0.301 10.803 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.197 0.874 11.260 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.532 -0.549 9.314 1.00 0.00 C ATOM 0 H LEU A 47 6.564 -1.068 13.923 1.00 0.00 H new ATOM 0 HA LEU A 47 3.902 -1.324 12.772 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.749 -1.517 11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.557 -2.424 10.958 1.00 0.00 H new ATOM 0 HG LEU A 47 4.299 -0.057 10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.937 1.759 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.013 1.067 12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.251 0.639 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.281 0.356 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.569 -0.819 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.879 -1.362 8.996 1.00 0.00 H new ATOM 705 N PRO A 48 3.459 -3.753 12.956 1.00 0.00 N ATOM 706 CA PRO A 48 3.122 -5.166 13.149 1.00 0.00 C ATOM 707 C PRO A 48 3.722 -6.059 12.068 1.00 0.00 C ATOM 708 O PRO A 48 4.033 -5.613 10.963 1.00 0.00 O ATOM 709 CB PRO A 48 1.594 -5.181 13.067 1.00 0.00 C ATOM 710 CG PRO A 48 1.247 -3.988 12.244 1.00 0.00 C ATOM 711 CD PRO A 48 2.290 -2.951 12.558 1.00 0.00 C ATOM 0 HA PRO A 48 3.516 -5.554 14.088 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.231 -6.099 12.605 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.144 -5.123 14.058 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.248 -4.233 11.182 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.249 -3.623 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.508 -2.325 11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.967 -2.286 13.359 1.00 0.00 H new ATOM 719 N PRO A 49 3.890 -7.350 12.391 1.00 0.00 N ATOM 720 CA PRO A 49 4.453 -8.332 11.459 1.00 0.00 C ATOM 721 C PRO A 49 3.509 -8.642 10.303 1.00 0.00 C ATOM 722 O PRO A 49 2.814 -9.658 10.311 1.00 0.00 O ATOM 723 CB PRO A 49 4.655 -9.573 12.332 1.00 0.00 C ATOM 724 CG PRO A 49 3.663 -9.427 13.434 1.00 0.00 C ATOM 725 CD PRO A 49 3.542 -7.950 13.689 1.00 0.00 C ATOM 0 HA PRO A 49 5.368 -7.970 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.485 -10.488 11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.673 -9.623 12.719 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.701 -9.854 13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.995 -9.952 14.330 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.534 -7.677 14.000 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.219 -7.622 14.478 1.00 0.00 H new ATOM 733 N VAL A 50 3.488 -7.760 9.309 1.00 0.00 N ATOM 734 CA VAL A 50 2.630 -7.941 8.144 1.00 0.00 C ATOM 735 C VAL A 50 3.412 -8.518 6.969 1.00 0.00 C ATOM 736 O VAL A 50 4.595 -8.229 6.796 1.00 0.00 O ATOM 737 CB VAL A 50 1.983 -6.611 7.712 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.687 -6.376 8.472 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.951 -5.456 7.920 1.00 0.00 C ATOM 0 H VAL A 50 4.055 -6.913 9.287 1.00 0.00 H new ATOM 0 HA VAL A 50 1.846 -8.641 8.434 1.00 0.00 H new ATOM 0 HB VAL A 50 1.747 -6.670 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.245 -5.432 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.008 -7.190 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.894 -6.337 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.478 -4.524 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.221 -5.393 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.849 -5.622 7.325 1.00 0.00 H new ATOM 749 N ASN A 51 2.742 -9.336 6.164 1.00 0.00 N ATOM 750 CA ASN A 51 3.375 -9.955 5.005 1.00 0.00 C ATOM 751 C ASN A 51 2.993 -9.223 3.722 1.00 0.00 C ATOM 752 O ASN A 51 2.128 -8.348 3.729 1.00 0.00 O ATOM 753 CB ASN A 51 2.972 -11.428 4.904 1.00 0.00 C ATOM 754 CG ASN A 51 3.089 -12.151 6.232 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.087 -12.423 6.894 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.317 -12.467 6.628 1.00 0.00 N ATOM 0 H ASN A 51 1.761 -9.586 6.293 1.00 0.00 H new ATOM 0 HA ASN A 51 4.455 -9.889 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.945 -11.497 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.602 -11.925 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.458 -12.955 7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.119 -12.222 6.047 1.00 0.00 H new ATOM 763 N GLU A 52 3.645 -9.589 2.622 1.00 0.00 N ATOM 764 CA GLU A 52 3.374 -8.966 1.332 1.00 0.00 C ATOM 765 C GLU A 52 1.878 -8.964 1.033 1.00 0.00 C ATOM 766 O GLU A 52 1.306 -7.933 0.681 1.00 0.00 O ATOM 767 CB GLU A 52 4.127 -9.699 0.219 1.00 0.00 C ATOM 768 CG GLU A 52 5.592 -9.309 0.117 1.00 0.00 C ATOM 769 CD GLU A 52 6.326 -10.079 -0.963 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.705 -10.383 -2.003 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.523 -10.377 -0.769 1.00 0.00 O ATOM 0 H GLU A 52 4.363 -10.313 2.599 1.00 0.00 H new ATOM 0 HA GLU A 52 3.720 -7.933 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.057 -10.773 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.638 -9.496 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.666 -8.241 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.078 -9.483 1.077 1.00 0.00 H new ATOM 778 N GLU A 53 1.250 -10.128 1.174 1.00 0.00 N ATOM 779 CA GLU A 53 -0.179 -10.260 0.918 1.00 0.00 C ATOM 780 C GLU A 53 -0.965 -9.170 1.641 1.00 0.00 C ATOM 781 O GLU A 53 -2.115 -8.887 1.301 1.00 0.00 O ATOM 782 CB GLU A 53 -0.674 -11.639 1.360 1.00 0.00 C ATOM 783 CG GLU A 53 -2.107 -11.932 0.950 1.00 0.00 C ATOM 784 CD GLU A 53 -2.459 -13.402 1.066 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.042 -14.182 0.184 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.150 -13.773 2.038 1.00 0.00 O ATOM 0 H GLU A 53 1.708 -10.992 1.464 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.341 -10.150 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.021 -12.403 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.593 -11.714 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.785 -11.350 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.260 -11.606 -0.079 1.00 0.00 H new ATOM 793 N THR A 54 -0.337 -8.560 2.641 1.00 0.00 N ATOM 794 CA THR A 54 -0.976 -7.503 3.414 1.00 0.00 C ATOM 795 C THR A 54 -1.414 -6.352 2.514 1.00 0.00 C ATOM 796 O THR A 54 -0.636 -5.859 1.698 1.00 0.00 O ATOM 797 CB THR A 54 -0.036 -6.957 4.505 1.00 0.00 C ATOM 798 OG1 THR A 54 0.329 -8.007 5.408 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.700 -5.826 5.275 1.00 0.00 C ATOM 0 H THR A 54 0.615 -8.780 2.935 1.00 0.00 H new ATOM 0 HA THR A 54 -1.853 -7.944 3.888 1.00 0.00 H new ATOM 0 HB THR A 54 0.860 -6.568 4.021 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.824 -8.699 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.017 -5.457 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.949 -5.016 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.610 -6.194 5.748 1.00 0.00 H new ATOM 807 N VAL A 55 -2.664 -5.929 2.670 1.00 0.00 N ATOM 808 CA VAL A 55 -3.205 -4.834 1.873 1.00 0.00 C ATOM 809 C VAL A 55 -2.904 -3.485 2.515 1.00 0.00 C ATOM 810 O VAL A 55 -2.916 -3.352 3.739 1.00 0.00 O ATOM 811 CB VAL A 55 -4.728 -4.974 1.688 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.247 -3.925 0.717 1.00 0.00 C ATOM 813 CG2 VAL A 55 -5.081 -6.375 1.212 1.00 0.00 C ATOM 0 H VAL A 55 -3.321 -6.328 3.341 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.721 -4.884 0.897 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.210 -4.811 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.325 -4.040 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.028 -2.930 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.761 -4.052 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.161 -6.455 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.590 -6.570 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.746 -7.105 1.949 1.00 0.00 H new ATOM 823 N ILE A 56 -2.633 -2.487 1.681 1.00 0.00 N ATOM 824 CA ILE A 56 -2.330 -1.147 2.167 1.00 0.00 C ATOM 825 C ILE A 56 -3.480 -0.186 1.886 1.00 0.00 C ATOM 826 O ILE A 56 -3.874 0.008 0.736 1.00 0.00 O ATOM 827 CB ILE A 56 -1.044 -0.592 1.525 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.110 -1.580 1.707 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.691 0.759 2.128 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.287 -2.046 3.135 1.00 0.00 C ATOM 0 H ILE A 56 -2.617 -2.581 0.665 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.183 -1.229 3.244 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.218 -0.457 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.061 -2.447 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.035 -1.112 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.220 1.138 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.507 1.460 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.533 0.648 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.123 -2.744 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.489 -1.188 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.623 -2.543 3.471 1.00 0.00 H new ATOM 842 N PHE A 57 -4.014 0.415 2.944 1.00 0.00 N ATOM 843 CA PHE A 57 -5.119 1.357 2.812 1.00 0.00 C ATOM 844 C PHE A 57 -4.612 2.796 2.819 1.00 0.00 C ATOM 845 O PHE A 57 -3.609 3.109 3.462 1.00 0.00 O ATOM 846 CB PHE A 57 -6.128 1.154 3.944 1.00 0.00 C ATOM 847 CG PHE A 57 -6.981 -0.071 3.775 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.402 -1.326 3.682 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.361 0.033 3.711 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.184 -2.455 3.526 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.149 -1.092 3.555 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.559 -2.338 3.464 1.00 0.00 C ATOM 0 H PHE A 57 -3.699 0.266 3.903 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.611 1.169 1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.591 1.085 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.773 2.030 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.328 -1.423 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.827 1.005 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.720 -3.428 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.224 -0.997 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.172 -3.219 3.345 1.00 0.00 H new ATOM 862 N LYS A 58 -5.310 3.667 2.100 1.00 0.00 N ATOM 863 CA LYS A 58 -4.933 5.073 2.022 1.00 0.00 C ATOM 864 C LYS A 58 -5.569 5.871 3.156 1.00 0.00 C ATOM 865 O LYS A 58 -6.350 5.335 3.943 1.00 0.00 O ATOM 866 CB LYS A 58 -5.352 5.662 0.673 1.00 0.00 C ATOM 867 CG LYS A 58 -4.346 5.414 -0.438 1.00 0.00 C ATOM 868 CD LYS A 58 -5.026 5.311 -1.793 1.00 0.00 C ATOM 869 CE LYS A 58 -6.006 6.454 -2.013 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.663 6.371 -3.346 1.00 0.00 N ATOM 0 H LYS A 58 -6.142 3.424 1.562 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.849 5.138 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.313 5.237 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.499 6.736 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.616 6.223 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.797 4.495 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.273 5.319 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.553 4.360 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.766 6.437 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.481 7.405 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.576 7.286 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.203 5.631 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.669 6.138 -3.223 1.00 0.00 H new ATOM 884 N SER A 59 -5.232 7.154 3.233 1.00 0.00 N ATOM 885 CA SER A 59 -5.769 8.025 4.272 1.00 0.00 C ATOM 886 C SER A 59 -7.263 8.256 4.069 1.00 0.00 C ATOM 887 O SER A 59 -7.999 8.507 5.023 1.00 0.00 O ATOM 888 CB SER A 59 -5.030 9.364 4.277 1.00 0.00 C ATOM 889 OG SER A 59 -5.539 10.231 3.279 1.00 0.00 O ATOM 0 H SER A 59 -4.589 7.614 2.588 1.00 0.00 H new ATOM 0 HA SER A 59 -5.623 7.534 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.128 9.834 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.966 9.196 4.109 1.00 0.00 H new ATOM 0 HG SER A 59 -5.051 11.081 3.304 1.00 0.00 H new ATOM 895 N ASP A 60 -7.704 8.169 2.819 1.00 0.00 N ATOM 896 CA ASP A 60 -9.110 8.368 2.488 1.00 0.00 C ATOM 897 C ASP A 60 -9.895 7.070 2.651 1.00 0.00 C ATOM 898 O ASP A 60 -10.975 6.910 2.081 1.00 0.00 O ATOM 899 CB ASP A 60 -9.251 8.887 1.057 1.00 0.00 C ATOM 900 CG ASP A 60 -8.907 10.359 0.939 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.807 11.198 1.155 1.00 0.00 O ATOM 902 OD2 ASP A 60 -7.739 10.672 0.631 1.00 0.00 O ATOM 0 H ASP A 60 -7.108 7.962 2.018 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.518 9.108 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.601 8.311 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.273 8.727 0.715 1.00 0.00 H new ATOM 907 N ARG A 61 -9.345 6.145 3.431 1.00 0.00 N ATOM 908 CA ARG A 61 -9.992 4.860 3.667 1.00 0.00 C ATOM 909 C ARG A 61 -10.224 4.120 2.353 1.00 0.00 C ATOM 910 O ARG A 61 -11.282 3.527 2.143 1.00 0.00 O ATOM 911 CB ARG A 61 -11.323 5.062 4.393 1.00 0.00 C ATOM 912 CG ARG A 61 -11.183 5.171 5.902 1.00 0.00 C ATOM 913 CD ARG A 61 -12.530 5.054 6.597 1.00 0.00 C ATOM 914 NE ARG A 61 -12.389 4.757 8.020 1.00 0.00 N ATOM 915 CZ ARG A 61 -12.126 5.679 8.940 1.00 0.00 C ATOM 916 NH1 ARG A 61 -11.977 6.948 8.588 1.00 0.00 N ATOM 917 NH2 ARG A 61 -12.011 5.331 10.216 1.00 0.00 N ATOM 0 H ARG A 61 -8.452 6.262 3.910 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.333 4.258 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.800 5.966 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.986 4.229 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.517 4.388 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.722 6.125 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.083 5.985 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.117 4.269 6.120 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.498 3.790 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.064 7.219 7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.775 7.653 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.125 4.355 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.809 6.039 10.922 1.00 0.00 H new ATOM 931 N GLN A 62 -9.228 4.159 1.474 1.00 0.00 N ATOM 932 CA GLN A 62 -9.325 3.492 0.180 1.00 0.00 C ATOM 933 C GLN A 62 -8.108 2.607 -0.068 1.00 0.00 C ATOM 934 O GLN A 62 -6.973 3.081 -0.061 1.00 0.00 O ATOM 935 CB GLN A 62 -9.458 4.524 -0.941 1.00 0.00 C ATOM 936 CG GLN A 62 -10.897 4.905 -1.250 1.00 0.00 C ATOM 937 CD GLN A 62 -11.008 6.244 -1.953 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.756 7.123 -1.525 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.262 6.406 -3.040 1.00 0.00 N ATOM 0 H GLN A 62 -8.345 4.645 1.633 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.214 2.861 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.905 5.422 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.994 4.129 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.347 4.133 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.468 4.938 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.656 5.651 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.295 7.286 -3.555 1.00 0.00 H new ATOM 948 N ALA A 63 -8.354 1.320 -0.289 1.00 0.00 N ATOM 949 CA ALA A 63 -7.279 0.369 -0.541 1.00 0.00 C ATOM 950 C ALA A 63 -6.386 0.841 -1.684 1.00 0.00 C ATOM 951 O ALA A 63 -6.813 0.891 -2.837 1.00 0.00 O ATOM 952 CB ALA A 63 -7.852 -1.006 -0.850 1.00 0.00 C ATOM 0 H ALA A 63 -9.289 0.912 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.668 0.302 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.038 -1.706 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.442 -1.353 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.487 -0.945 -1.734 1.00 0.00 H new ATOM 958 N ALA A 64 -5.146 1.186 -1.356 1.00 0.00 N ATOM 959 CA ALA A 64 -4.193 1.653 -2.356 1.00 0.00 C ATOM 960 C ALA A 64 -3.534 0.480 -3.075 1.00 0.00 C ATOM 961 O ALA A 64 -3.165 0.585 -4.244 1.00 0.00 O ATOM 962 CB ALA A 64 -3.138 2.537 -1.707 1.00 0.00 C ATOM 0 H ALA A 64 -4.777 1.151 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.738 2.240 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.433 2.879 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.620 3.399 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.605 1.968 -0.946 1.00 0.00 H new ATOM 968 N GLY A 65 -3.389 -0.636 -2.369 1.00 0.00 N ATOM 969 CA GLY A 65 -2.774 -1.812 -2.957 1.00 0.00 C ATOM 970 C GLY A 65 -2.013 -2.639 -1.939 1.00 0.00 C ATOM 971 O GLY A 65 -1.724 -2.170 -0.838 1.00 0.00 O ATOM 0 H GLY A 65 -3.686 -0.747 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.545 -2.429 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.094 -1.504 -3.751 1.00 0.00 H new ATOM 975 N LYS A 66 -1.690 -3.874 -2.305 1.00 0.00 N ATOM 976 CA LYS A 66 -0.958 -4.769 -1.417 1.00 0.00 C ATOM 977 C LYS A 66 0.546 -4.551 -1.542 1.00 0.00 C ATOM 978 O LYS A 66 1.032 -4.091 -2.576 1.00 0.00 O ATOM 979 CB LYS A 66 -1.301 -6.227 -1.733 1.00 0.00 C ATOM 980 CG LYS A 66 -2.542 -6.729 -1.016 1.00 0.00 C ATOM 981 CD LYS A 66 -2.923 -8.127 -1.474 1.00 0.00 C ATOM 982 CE LYS A 66 -4.416 -8.377 -1.319 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.749 -8.931 0.022 1.00 0.00 N ATOM 0 H LYS A 66 -1.924 -4.279 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.255 -4.546 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.445 -6.333 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.455 -6.858 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.365 -6.733 0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.371 -6.046 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.637 -8.260 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.367 -8.865 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.958 -7.444 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.750 -9.070 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.662 -8.548 0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.810 -9.968 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.008 -8.665 0.701 1.00 0.00 H new ATOM 997 N ILE A 67 1.278 -4.885 -0.485 1.00 0.00 N ATOM 998 CA ILE A 67 2.727 -4.728 -0.479 1.00 0.00 C ATOM 999 C ILE A 67 3.368 -5.494 -1.631 1.00 0.00 C ATOM 1000 O ILE A 67 3.457 -6.721 -1.602 1.00 0.00 O ATOM 1001 CB ILE A 67 3.340 -5.212 0.848 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.071 -4.197 1.961 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.835 -5.445 0.687 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.146 -4.788 3.351 1.00 0.00 C ATOM 0 H ILE A 67 0.891 -5.266 0.379 1.00 0.00 H new ATOM 0 HA ILE A 67 2.929 -3.663 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 67 2.872 -6.157 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.792 -3.384 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.083 -3.762 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.254 -5.787 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.005 -6.201 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.319 -4.514 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.945 -4.011 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.406 -5.582 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.142 -5.198 3.519 1.00 0.00 H new ATOM 1016 N PHE A 68 3.815 -4.760 -2.646 1.00 0.00 N ATOM 1017 CA PHE A 68 4.449 -5.370 -3.809 1.00 0.00 C ATOM 1018 C PHE A 68 5.795 -5.983 -3.435 1.00 0.00 C ATOM 1019 O PHE A 68 6.222 -6.975 -4.026 1.00 0.00 O ATOM 1020 CB PHE A 68 4.639 -4.331 -4.916 1.00 0.00 C ATOM 1021 CG PHE A 68 5.505 -4.810 -6.045 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.012 -5.705 -6.982 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.811 -4.366 -6.171 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.808 -6.148 -8.022 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.611 -4.805 -7.209 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.108 -5.697 -8.136 1.00 0.00 C ATOM 0 H PHE A 68 3.750 -3.743 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 68 3.797 -6.164 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.663 -4.050 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.080 -3.431 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.995 -6.060 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.209 -3.668 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.413 -6.846 -8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.628 -4.451 -7.295 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.731 -6.041 -8.949 1.00 0.00 H new ATOM 1036 N GLU A 69 6.459 -5.385 -2.451 1.00 0.00 N ATOM 1037 CA GLU A 69 7.757 -5.871 -1.999 1.00 0.00 C ATOM 1038 C GLU A 69 8.213 -5.125 -0.748 1.00 0.00 C ATOM 1039 O GLU A 69 7.849 -3.968 -0.536 1.00 0.00 O ATOM 1040 CB GLU A 69 8.799 -5.713 -3.108 1.00 0.00 C ATOM 1041 CG GLU A 69 10.222 -5.989 -2.651 1.00 0.00 C ATOM 1042 CD GLU A 69 11.123 -6.435 -3.785 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.351 -5.632 -4.714 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.602 -7.588 -3.744 1.00 0.00 O ATOM 0 H GLU A 69 6.119 -4.563 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 69 7.655 -6.928 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.552 -6.389 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.744 -4.699 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.635 -5.088 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.209 -6.758 -1.879 1.00 0.00 H new ATOM 1051 N ILE A 70 9.009 -5.797 0.076 1.00 0.00 N ATOM 1052 CA ILE A 70 9.515 -5.198 1.306 1.00 0.00 C ATOM 1053 C ILE A 70 11.034 -5.296 1.380 1.00 0.00 C ATOM 1054 O ILE A 70 11.611 -6.361 1.158 1.00 0.00 O ATOM 1055 CB ILE A 70 8.906 -5.870 2.551 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.380 -5.891 2.451 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.351 -5.147 3.813 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.736 -6.990 3.268 1.00 0.00 C ATOM 0 H ILE A 70 9.318 -6.756 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 70 9.222 -4.148 1.290 1.00 0.00 H new ATOM 0 HB ILE A 70 9.261 -6.899 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.989 -4.928 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.094 -6.011 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.913 -5.633 4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.438 -5.180 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.022 -4.109 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.653 -6.945 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.098 -7.959 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.992 -6.859 4.319 1.00 0.00 H new ATOM 1070 N PHE A 71 11.679 -4.178 1.696 1.00 0.00 N ATOM 1071 CA PHE A 71 13.133 -4.137 1.801 1.00 0.00 C ATOM 1072 C PHE A 71 13.571 -3.205 2.928 1.00 0.00 C ATOM 1073 O PHE A 71 12.758 -2.481 3.500 1.00 0.00 O ATOM 1074 CB PHE A 71 13.749 -3.679 0.477 1.00 0.00 C ATOM 1075 CG PHE A 71 13.314 -2.304 0.057 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.988 -1.181 0.510 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.230 -2.134 -0.790 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.590 0.085 0.125 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.829 -0.870 -1.178 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.509 0.241 -0.719 1.00 0.00 C ATOM 0 H PHE A 71 11.218 -3.288 1.884 1.00 0.00 H new ATOM 0 HA PHE A 71 13.484 -5.144 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.835 -3.696 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.482 -4.390 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.834 -1.297 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.693 -2.999 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.124 0.952 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.984 -0.751 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.196 1.230 -1.020 1.00 0.00 H new ATOM 1090 N GLY A 72 14.863 -3.231 3.240 1.00 0.00 N ATOM 1091 CA GLY A 72 15.387 -2.385 4.297 1.00 0.00 C ATOM 1092 C GLY A 72 15.693 -3.162 5.563 1.00 0.00 C ATOM 1093 O GLY A 72 15.784 -4.389 5.557 1.00 0.00 O ATOM 0 H GLY A 72 15.556 -3.822 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.295 -1.893 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.665 -1.600 4.522 1.00 0.00 H new ATOM 1097 N PRO A 73 15.858 -2.438 6.680 1.00 0.00 N ATOM 1098 CA PRO A 73 16.158 -3.046 7.979 1.00 0.00 C ATOM 1099 C PRO A 73 14.975 -3.826 8.542 1.00 0.00 C ATOM 1100 O PRO A 73 14.036 -4.158 7.818 1.00 0.00 O ATOM 1101 CB PRO A 73 16.476 -1.842 8.869 1.00 0.00 C ATOM 1102 CG PRO A 73 15.750 -0.704 8.240 1.00 0.00 C ATOM 1103 CD PRO A 73 15.762 -0.971 6.761 1.00 0.00 C ATOM 0 HA PRO A 73 16.970 -3.771 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.141 -2.007 9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.549 -1.653 8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.729 -0.637 8.616 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.237 0.244 8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.858 -0.600 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.606 -0.485 6.272 1.00 0.00 H new ATOM 1111 N VAL A 74 15.026 -4.117 9.838 1.00 0.00 N ATOM 1112 CA VAL A 74 13.957 -4.857 10.499 1.00 0.00 C ATOM 1113 C VAL A 74 13.130 -3.944 11.396 1.00 0.00 C ATOM 1114 O VAL A 74 12.084 -4.342 11.909 1.00 0.00 O ATOM 1115 CB VAL A 74 14.517 -6.018 11.342 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.292 -5.485 12.537 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.393 -6.938 11.793 1.00 0.00 C ATOM 0 H VAL A 74 15.796 -3.852 10.451 1.00 0.00 H new ATOM 0 HA VAL A 74 13.320 -5.263 9.713 1.00 0.00 H new ATOM 0 HB VAL A 74 15.203 -6.596 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.680 -6.320 13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.121 -4.870 12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.631 -4.883 13.160 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.806 -7.753 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.681 -6.374 12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.885 -7.347 10.920 1.00 0.00 H new ATOM 1127 N ALA A 75 13.605 -2.717 11.582 1.00 0.00 N ATOM 1128 CA ALA A 75 12.908 -1.745 12.416 1.00 0.00 C ATOM 1129 C ALA A 75 12.393 -0.576 11.583 1.00 0.00 C ATOM 1130 O ALA A 75 11.338 -0.012 11.873 1.00 0.00 O ATOM 1131 CB ALA A 75 13.825 -1.245 13.522 1.00 0.00 C ATOM 0 H ALA A 75 14.470 -2.372 11.166 1.00 0.00 H new ATOM 0 HA ALA A 75 12.049 -2.241 12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.292 -0.520 14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.139 -2.085 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.702 -0.771 13.081 1.00 0.00 H new ATOM 1137 N HIS A 76 13.145 -0.217 10.547 1.00 0.00 N ATOM 1138 CA HIS A 76 12.764 0.886 9.672 1.00 0.00 C ATOM 1139 C HIS A 76 12.695 0.428 8.219 1.00 0.00 C ATOM 1140 O HIS A 76 13.194 1.091 7.309 1.00 0.00 O ATOM 1141 CB HIS A 76 13.757 2.040 9.809 1.00 0.00 C ATOM 1142 CG HIS A 76 13.986 2.469 11.226 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.964 2.831 12.077 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.129 2.590 11.940 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.468 3.158 13.254 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.781 3.020 13.197 1.00 0.00 N ATOM 0 H HIS A 76 14.021 -0.674 10.293 1.00 0.00 H new ATOM 0 HA HIS A 76 11.775 1.231 9.973 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.709 1.743 9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.393 2.892 9.235 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.129 2.386 11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.903 3.483 14.115 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.430 3.203 13.962 1.00 0.00 H new ATOM 1154 N PRO A 77 12.064 -0.734 7.993 1.00 0.00 N ATOM 1155 CA PRO A 77 11.916 -1.307 6.652 1.00 0.00 C ATOM 1156 C PRO A 77 10.956 -0.503 5.781 1.00 0.00 C ATOM 1157 O PRO A 77 10.028 0.131 6.283 1.00 0.00 O ATOM 1158 CB PRO A 77 11.350 -2.703 6.923 1.00 0.00 C ATOM 1159 CG PRO A 77 10.657 -2.582 8.236 1.00 0.00 C ATOM 1160 CD PRO A 77 11.445 -1.577 9.029 1.00 0.00 C ATOM 0 HA PRO A 77 12.859 -1.313 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.659 -3.010 6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.142 -3.451 6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.626 -2.253 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.622 -3.543 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.803 -0.995 9.690 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.195 -2.059 9.656 1.00 0.00 H new ATOM 1168 N PHE A 78 11.185 -0.533 4.472 1.00 0.00 N ATOM 1169 CA PHE A 78 10.341 0.193 3.531 1.00 0.00 C ATOM 1170 C PHE A 78 9.456 -0.767 2.741 1.00 0.00 C ATOM 1171 O PHE A 78 9.925 -1.787 2.235 1.00 0.00 O ATOM 1172 CB PHE A 78 11.203 1.017 2.571 1.00 0.00 C ATOM 1173 CG PHE A 78 12.396 1.649 3.229 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.486 0.880 3.603 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.427 3.013 3.474 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.586 1.459 4.208 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.523 3.597 4.078 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.604 2.819 4.447 1.00 0.00 C ATOM 0 H PHE A 78 11.949 -1.053 4.039 1.00 0.00 H new ATOM 0 HA PHE A 78 9.699 0.865 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.544 0.375 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.589 1.798 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.476 -0.184 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.585 3.626 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.430 0.849 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.535 4.661 4.262 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.461 3.274 4.921 1.00 0.00 H new ATOM 1188 N TYR A 79 8.174 -0.433 2.642 1.00 0.00 N ATOM 1189 CA TYR A 79 7.222 -1.266 1.917 1.00 0.00 C ATOM 1190 C TYR A 79 6.948 -0.698 0.527 1.00 0.00 C ATOM 1191 O TYR A 79 6.927 0.517 0.334 1.00 0.00 O ATOM 1192 CB TYR A 79 5.913 -1.380 2.700 1.00 0.00 C ATOM 1193 CG TYR A 79 6.097 -1.862 4.121 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.501 -0.990 5.125 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.867 -3.189 4.461 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.672 -1.426 6.424 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.034 -3.634 5.758 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.437 -2.749 6.736 1.00 0.00 C ATOM 1199 OH TYR A 79 6.604 -3.187 8.029 1.00 0.00 O ATOM 0 H TYR A 79 7.770 0.408 3.054 1.00 0.00 H new ATOM 0 HA TYR A 79 7.659 -2.258 1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.423 -0.406 2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.245 -2.064 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.684 0.047 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.552 -3.885 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.988 -0.735 7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.850 -4.669 6.005 1.00 0.00 H new ATOM 0 HH TYR A 79 6.397 -4.144 8.080 1.00 0.00 H new ATOM 1209 N VAL A 80 6.739 -1.588 -0.438 1.00 0.00 N ATOM 1210 CA VAL A 80 6.465 -1.178 -1.810 1.00 0.00 C ATOM 1211 C VAL A 80 5.031 -1.507 -2.206 1.00 0.00 C ATOM 1212 O VAL A 80 4.423 -2.434 -1.667 1.00 0.00 O ATOM 1213 CB VAL A 80 7.429 -1.856 -2.802 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.304 -1.229 -4.182 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.861 -1.770 -2.296 1.00 0.00 C ATOM 0 H VAL A 80 6.754 -2.598 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 80 6.612 -0.099 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 80 7.159 -2.909 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.993 -1.721 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.283 -1.348 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.547 -0.168 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.529 -2.254 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.145 -0.724 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.937 -2.271 -1.331 1.00 0.00 H new ATOM 1225 N LEU A 81 4.494 -0.744 -3.151 1.00 0.00 N ATOM 1226 CA LEU A 81 3.129 -0.955 -3.621 1.00 0.00 C ATOM 1227 C LEU A 81 3.112 -1.309 -5.104 1.00 0.00 C ATOM 1228 O LEU A 81 3.924 -0.807 -5.882 1.00 0.00 O ATOM 1229 CB LEU A 81 2.284 0.297 -3.375 1.00 0.00 C ATOM 1230 CG LEU A 81 1.642 0.412 -1.992 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.589 1.509 -1.982 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.032 -0.919 -1.575 1.00 0.00 C ATOM 0 H LEU A 81 4.983 0.026 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 81 2.704 -1.789 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.913 1.173 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.493 0.330 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 81 2.418 0.675 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.143 1.576 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.054 2.462 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.186 1.277 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.580 -0.819 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.269 -1.211 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.810 -1.681 -1.541 1.00 0.00 H new ATOM 1244 N ARG A 82 2.181 -2.175 -5.490 1.00 0.00 N ATOM 1245 CA ARG A 82 2.058 -2.596 -6.881 1.00 0.00 C ATOM 1246 C ARG A 82 1.144 -1.652 -7.656 1.00 0.00 C ATOM 1247 O ARG A 82 0.136 -1.178 -7.132 1.00 0.00 O ATOM 1248 CB ARG A 82 1.516 -4.025 -6.957 1.00 0.00 C ATOM 1249 CG ARG A 82 1.867 -4.740 -8.252 1.00 0.00 C ATOM 1250 CD ARG A 82 1.173 -6.090 -8.348 1.00 0.00 C ATOM 1251 NE ARG A 82 0.939 -6.680 -7.033 1.00 0.00 N ATOM 1252 CZ ARG A 82 -0.155 -6.460 -6.312 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -1.111 -5.667 -6.778 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -0.295 -7.033 -5.124 1.00 0.00 N ATOM 0 H ARG A 82 1.501 -2.599 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 82 3.049 -2.566 -7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.908 -4.599 -6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.432 -4.000 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.579 -4.120 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.946 -4.879 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.222 -5.972 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.781 -6.768 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 82 1.655 -7.295 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.007 -5.225 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.950 -5.499 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.438 -7.644 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.136 -6.863 -4.572 1.00 0.00 H new ATOM 1268 N PHE A 83 1.504 -1.382 -8.906 1.00 0.00 N ATOM 1269 CA PHE A 83 0.718 -0.493 -9.753 1.00 0.00 C ATOM 1270 C PHE A 83 1.055 -0.706 -11.226 1.00 0.00 C ATOM 1271 O PHE A 83 2.179 -1.068 -11.571 1.00 0.00 O ATOM 1272 CB PHE A 83 0.967 0.966 -9.367 1.00 0.00 C ATOM 1273 CG PHE A 83 0.233 1.393 -8.129 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.147 1.518 -8.134 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.922 1.669 -6.959 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.826 1.910 -6.995 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.249 2.061 -5.818 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.127 2.183 -5.836 1.00 0.00 C ATOM 0 H PHE A 83 2.335 -1.766 -9.355 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.336 -0.727 -9.602 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.036 1.116 -9.216 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.669 1.608 -10.196 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.699 1.307 -9.038 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.998 1.577 -6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.902 2.003 -7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.798 2.272 -4.912 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.655 2.491 -4.946 1.00 0.00 H new ATOM 1288 N ASN A 84 0.071 -0.479 -12.091 1.00 0.00 N ATOM 1289 CA ASN A 84 0.262 -0.647 -13.527 1.00 0.00 C ATOM 1290 C ASN A 84 1.200 0.422 -14.080 1.00 0.00 C ATOM 1291 O ASN A 84 2.170 0.113 -14.772 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.084 -0.586 -14.252 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.886 -1.862 -14.091 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.325 -2.955 -14.005 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.207 -1.730 -14.051 1.00 0.00 N ATOM 0 H ASN A 84 -0.866 -0.178 -11.822 1.00 0.00 H new ATOM 0 HA ASN A 84 0.714 -1.624 -13.697 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.663 0.254 -13.868 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.914 -0.398 -15.312 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.799 -2.554 -13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.630 -0.805 -14.126 1.00 0.00 H new ATOM 1302 N SER A 85 0.903 1.679 -13.769 1.00 0.00 N ATOM 1303 CA SER A 85 1.718 2.795 -14.237 1.00 0.00 C ATOM 1304 C SER A 85 1.482 4.036 -13.381 1.00 0.00 C ATOM 1305 O SER A 85 0.506 4.113 -12.635 1.00 0.00 O ATOM 1306 CB SER A 85 1.403 3.104 -15.701 1.00 0.00 C ATOM 1307 OG SER A 85 0.278 3.960 -15.812 1.00 0.00 O ATOM 0 H SER A 85 0.105 1.951 -13.195 1.00 0.00 H new ATOM 0 HA SER A 85 2.766 2.509 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.268 3.572 -16.171 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.212 2.175 -16.239 1.00 0.00 H new ATOM 0 HG SER A 85 0.099 4.143 -16.758 1.00 0.00 H new ATOM 1313 N SER A 86 2.385 5.005 -13.494 1.00 0.00 N ATOM 1314 CA SER A 86 2.279 6.242 -12.729 1.00 0.00 C ATOM 1315 C SER A 86 0.822 6.676 -12.598 1.00 0.00 C ATOM 1316 O SER A 86 0.358 7.008 -11.507 1.00 0.00 O ATOM 1317 CB SER A 86 3.096 7.350 -13.395 1.00 0.00 C ATOM 1318 OG SER A 86 2.745 8.623 -12.879 1.00 0.00 O ATOM 0 H SER A 86 3.198 4.957 -14.108 1.00 0.00 H new ATOM 0 HA SER A 86 2.676 6.059 -11.731 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.159 7.169 -13.234 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.929 7.332 -14.472 1.00 0.00 H new ATOM 0 HG SER A 86 3.282 9.314 -13.320 1.00 0.00 H new ATOM 1324 N ASP A 87 0.107 6.672 -13.717 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.297 7.065 -13.729 1.00 0.00 C ATOM 1326 C ASP A 87 -2.059 6.391 -12.593 1.00 0.00 C ATOM 1327 O ASP A 87 -2.728 7.056 -11.800 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.937 6.707 -15.072 1.00 0.00 C ATOM 1329 CG ASP A 87 -1.608 7.713 -16.157 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -0.592 8.425 -16.017 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -2.368 7.790 -17.145 1.00 0.00 O ATOM 0 H ASP A 87 0.477 6.401 -14.628 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.348 8.144 -13.587 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.596 5.719 -15.381 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.019 6.648 -14.951 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.955 5.068 -12.519 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.635 4.304 -11.479 1.00 0.00 C ATOM 1338 C HIS A 88 -2.427 4.945 -10.110 1.00 0.00 C ATOM 1339 O HIS A 88 -3.350 5.007 -9.297 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.128 2.862 -11.462 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.154 1.871 -11.006 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.221 0.581 -11.488 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.158 1.987 -10.105 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.223 -0.053 -10.904 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.807 0.778 -10.060 1.00 0.00 N ATOM 0 H HIS A 88 -1.406 4.503 -13.167 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.702 4.303 -11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.794 2.591 -12.464 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.258 2.799 -10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.403 2.867 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.515 -1.077 -11.086 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.610 0.557 -9.471 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.211 5.419 -9.863 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.883 6.055 -8.593 1.00 0.00 C ATOM 1355 C ILE A 89 -1.479 7.457 -8.511 1.00 0.00 C ATOM 1356 O ILE A 89 -2.247 7.762 -7.599 1.00 0.00 O ATOM 1357 CB ILE A 89 0.640 6.144 -8.384 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.252 4.742 -8.333 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.956 6.913 -7.110 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.443 4.116 -9.697 1.00 0.00 C ATOM 0 H ILE A 89 -0.437 5.375 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.313 5.433 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 89 1.077 6.681 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.216 4.794 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.611 4.096 -7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.036 6.967 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.548 7.921 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.510 6.402 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.881 3.124 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.478 4.032 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.108 4.740 -10.294 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.120 8.304 -9.470 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.620 9.673 -9.505 1.00 0.00 C ATOM 1374 C GLU A 90 -3.078 9.731 -9.061 1.00 0.00 C ATOM 1375 O GLU A 90 -3.446 10.539 -8.207 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.481 10.254 -10.914 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.071 10.708 -11.250 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.028 11.655 -12.433 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.366 11.220 -13.553 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.343 12.832 -12.238 1.00 0.00 O ATOM 0 H GLU A 90 -0.485 8.067 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.024 10.268 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.794 9.503 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.160 11.100 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.365 11.199 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.546 9.835 -11.466 1.00 0.00 H new ATOM 1387 N SER A 91 -3.904 8.870 -9.646 1.00 0.00 N ATOM 1388 CA SER A 91 -5.324 8.826 -9.314 1.00 0.00 C ATOM 1389 C SER A 91 -5.525 8.590 -7.820 1.00 0.00 C ATOM 1390 O SER A 91 -6.156 9.392 -7.132 1.00 0.00 O ATOM 1391 CB SER A 91 -6.022 7.725 -10.114 1.00 0.00 C ATOM 1392 OG SER A 91 -7.407 7.993 -10.249 1.00 0.00 O ATOM 0 H SER A 91 -3.615 8.193 -10.352 1.00 0.00 H new ATOM 0 HA SER A 91 -5.763 9.789 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.566 7.643 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.881 6.765 -9.617 1.00 0.00 H new ATOM 0 HG SER A 91 -7.830 7.276 -10.766 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.983 7.482 -7.324 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.101 7.138 -5.912 1.00 0.00 C ATOM 1400 C LYS A 92 -4.766 8.337 -5.031 1.00 0.00 C ATOM 1401 O LYS A 92 -5.182 8.406 -3.875 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.175 5.968 -5.573 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.424 4.731 -6.417 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.676 3.994 -5.972 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.616 2.520 -6.341 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.970 1.899 -6.367 1.00 0.00 N ATOM 0 H LYS A 92 -4.458 6.807 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.133 6.845 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.140 6.285 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.299 5.711 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.523 5.018 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.565 4.064 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.795 4.096 -4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.552 4.450 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.147 2.409 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.988 1.991 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.886 0.894 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.408 1.982 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.562 2.387 -7.069 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.013 9.282 -5.585 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.637 10.467 -4.835 1.00 0.00 C ATOM 1422 C GLY A 93 -2.395 10.250 -3.995 1.00 0.00 C ATOM 1423 O GLY A 93 -1.999 11.125 -3.223 1.00 0.00 O ATOM 0 H GLY A 93 -3.656 9.249 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.465 11.292 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.463 10.761 -4.188 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.778 9.083 -4.142 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.574 8.755 -3.390 1.00 0.00 C ATOM 1429 C ILE A 94 0.615 9.580 -3.869 1.00 0.00 C ATOM 1430 O ILE A 94 0.808 9.773 -5.070 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.227 7.259 -3.507 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.447 6.402 -3.164 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.942 6.913 -2.597 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.413 5.024 -3.789 1.00 0.00 C ATOM 0 H ILE A 94 -2.092 8.348 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.780 8.991 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 94 0.064 7.049 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.516 6.299 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.348 6.919 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.175 5.852 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.813 7.503 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.677 7.136 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.309 4.473 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.376 5.118 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.530 4.488 -3.440 1.00 0.00 H new ATOM 1446 N LYS A 95 1.413 10.064 -2.922 1.00 0.00 N ATOM 1447 CA LYS A 95 2.586 10.866 -3.246 1.00 0.00 C ATOM 1448 C LYS A 95 3.495 11.016 -2.031 1.00 0.00 C ATOM 1449 O LYS A 95 3.137 10.613 -0.923 1.00 0.00 O ATOM 1450 CB LYS A 95 2.162 12.247 -3.752 1.00 0.00 C ATOM 1451 CG LYS A 95 1.060 12.885 -2.925 1.00 0.00 C ATOM 1452 CD LYS A 95 1.575 13.347 -1.572 1.00 0.00 C ATOM 1453 CE LYS A 95 0.541 14.190 -0.841 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.668 14.064 0.638 1.00 0.00 N ATOM 0 H LYS A 95 1.268 9.914 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 95 3.140 10.352 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.030 12.906 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.825 12.159 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.643 13.734 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.250 12.169 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.834 12.480 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.488 13.926 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.656 15.235 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.459 13.884 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.193 13.626 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.491 13.470 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.795 15.007 1.057 1.00 0.00 H new ATOM 1468 N ILE A 96 4.670 11.598 -2.244 1.00 0.00 N ATOM 1469 CA ILE A 96 5.628 11.803 -1.165 1.00 0.00 C ATOM 1470 C ILE A 96 4.987 12.538 0.007 1.00 0.00 C ATOM 1471 O ILE A 96 4.157 13.427 -0.183 1.00 0.00 O ATOM 1472 CB ILE A 96 6.857 12.598 -1.646 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.521 11.887 -2.827 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.848 12.782 -0.506 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.124 10.548 -2.465 1.00 0.00 C ATOM 0 H ILE A 96 4.982 11.936 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 96 5.951 10.815 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 96 6.528 13.583 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.782 11.742 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.301 12.529 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.711 13.345 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.369 13.326 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.175 11.806 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.577 10.102 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.886 10.688 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.344 9.888 -2.085 1.00 0.00 H new ATOM 1487 N LYS A 97 5.380 12.164 1.220 1.00 0.00 N ATOM 1488 CA LYS A 97 4.847 12.789 2.424 1.00 0.00 C ATOM 1489 C LYS A 97 3.380 12.420 2.625 1.00 0.00 C ATOM 1490 O LYS A 97 2.572 13.255 3.030 1.00 0.00 O ATOM 1491 CB LYS A 97 4.995 14.310 2.342 1.00 0.00 C ATOM 1492 CG LYS A 97 6.394 14.766 1.967 1.00 0.00 C ATOM 1493 CD LYS A 97 7.301 14.841 3.184 1.00 0.00 C ATOM 1494 CE LYS A 97 8.769 14.768 2.791 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.283 16.085 2.323 1.00 0.00 N ATOM 0 H LYS A 97 6.067 11.430 1.395 1.00 0.00 H new ATOM 0 HA LYS A 97 5.416 12.420 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.287 14.696 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.726 14.745 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.819 14.077 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.343 15.744 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.113 15.770 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.065 14.024 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.357 14.431 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.898 14.027 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.286 15.994 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.738 16.395 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.184 16.787 3.084 1.00 0.00 H new ATOM 1509 N GLU A 98 3.046 11.166 2.341 1.00 0.00 N ATOM 1510 CA GLU A 98 1.676 10.688 2.492 1.00 0.00 C ATOM 1511 C GLU A 98 1.617 9.499 3.448 1.00 0.00 C ATOM 1512 O GLU A 98 2.098 8.410 3.133 1.00 0.00 O ATOM 1513 CB GLU A 98 1.098 10.293 1.132 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.414 10.140 1.135 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.121 11.342 1.733 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -1.147 12.403 1.075 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.648 11.220 2.859 1.00 0.00 O ATOM 0 H GLU A 98 3.704 10.463 2.005 1.00 0.00 H new ATOM 0 HA GLU A 98 1.079 11.498 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.377 11.046 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.549 9.353 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.762 9.990 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.684 9.247 1.698 1.00 0.00 H new ATOM 1524 N THR A 99 1.023 9.716 4.617 1.00 0.00 N ATOM 1525 CA THR A 99 0.902 8.665 5.619 1.00 0.00 C ATOM 1526 C THR A 99 -0.155 7.642 5.218 1.00 0.00 C ATOM 1527 O THR A 99 -1.297 7.997 4.927 1.00 0.00 O ATOM 1528 CB THR A 99 0.540 9.245 7.000 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.287 10.443 7.239 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.825 8.235 8.102 1.00 0.00 C ATOM 0 H THR A 99 0.618 10.611 4.893 1.00 0.00 H new ATOM 0 HA THR A 99 1.873 8.175 5.682 1.00 0.00 H new ATOM 0 HB THR A 99 -0.526 9.475 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.050 10.806 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.562 8.666 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.233 7.335 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.884 7.979 8.096 1.00 0.00 H new ATOM 1538 N MET A 100 0.234 6.371 5.205 1.00 0.00 N ATOM 1539 CA MET A 100 -0.682 5.296 4.840 1.00 0.00 C ATOM 1540 C MET A 100 -1.087 4.488 6.069 1.00 0.00 C ATOM 1541 O MET A 100 -0.522 4.658 7.150 1.00 0.00 O ATOM 1542 CB MET A 100 -0.036 4.377 3.802 1.00 0.00 C ATOM 1543 CG MET A 100 0.395 5.100 2.535 1.00 0.00 C ATOM 1544 SD MET A 100 0.327 4.043 1.076 1.00 0.00 S ATOM 1545 CE MET A 100 -1.088 4.734 0.223 1.00 0.00 C ATOM 0 H MET A 100 1.176 6.060 5.443 1.00 0.00 H new ATOM 0 HA MET A 100 -1.577 5.745 4.410 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.833 3.893 4.248 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.740 3.588 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.246 5.968 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.411 5.473 2.662 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.174 4.282 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.993 4.530 0.795 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.960 5.811 0.119 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.069 3.610 5.896 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.552 2.778 6.992 1.00 0.00 C ATOM 1557 C TYR A 101 -3.027 1.423 6.478 1.00 0.00 C ATOM 1558 O TYR A 101 -3.293 1.255 5.287 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.690 3.483 7.732 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.381 4.918 8.092 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.285 5.897 7.110 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.184 5.296 9.415 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.002 7.209 7.435 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.902 6.606 9.749 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.812 7.559 8.755 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.530 8.865 9.084 1.00 0.00 O ATOM 0 H TYR A 101 -2.546 3.456 5.008 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.725 2.615 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.586 3.458 7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.917 2.930 8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.434 5.627 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.253 4.552 10.195 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.930 7.957 6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.753 6.883 10.782 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.426 8.942 10.055 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.132 0.457 7.385 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.574 -0.885 7.025 1.00 0.00 C ATOM 1578 C PHE A 102 -4.717 -1.342 7.927 1.00 0.00 C ATOM 1579 O PHE A 102 -5.074 -0.659 8.887 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.408 -1.872 7.120 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.637 -1.766 8.404 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.262 -1.975 9.623 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.286 -1.458 8.393 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.555 -1.877 10.806 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.427 -1.360 9.573 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.208 -1.571 10.781 1.00 0.00 C ATOM 0 H PHE A 102 -2.917 0.579 8.375 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.935 -0.858 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.792 -2.887 7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.730 -1.703 6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.314 -2.217 9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.216 -1.293 7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.055 -2.039 11.749 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.479 -1.119 9.550 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.347 -1.497 11.704 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.285 -2.501 7.612 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.386 -3.050 8.394 1.00 0.00 C ATOM 1598 C ALA A 103 -6.222 -4.553 8.593 1.00 0.00 C ATOM 1599 O ALA A 103 -5.604 -5.233 7.772 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.715 -2.746 7.720 1.00 0.00 C ATOM 0 H ALA A 103 -5.001 -3.078 6.820 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.373 -2.577 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.528 -3.162 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.842 -1.667 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.729 -3.191 6.725 1.00 0.00 H new