USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot 170:sc= -2.09! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 10 SER OG : rot 46:sc= 0.198 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -150:sc= 0.0003 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.09 K(o=-1.1,f=-8.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 179:sc= -0.697 USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0749) USER MOD Single : A 43 SER OG : rot 3:sc= 0.64 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00847 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.234 4.156 7.927 1.00 15.00 N ATOM 162 CA SER A 10 63.396 2.929 8.103 1.00 15.00 C ATOM 163 C SER A 10 63.621 1.959 6.938 1.00 15.00 C ATOM 164 O SER A 10 63.917 2.367 5.831 1.00 15.00 O ATOM 165 CB SER A 10 61.952 3.430 8.111 1.00 15.00 C ATOM 166 OG SER A 10 61.785 4.364 9.170 1.00 15.00 O ATOM 0 HA SER A 10 63.645 2.390 9.017 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.712 3.898 7.156 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.265 2.593 8.237 1.00 15.00 H new ATOM 0 HG SER A 10 62.533 4.997 9.169 1.00 15.00 H new ATOM 172 N LYS A 11 63.482 0.678 7.186 1.00 15.00 N ATOM 173 CA LYS A 11 63.677 -0.334 6.100 1.00 15.00 C ATOM 174 C LYS A 11 62.391 -0.495 5.279 1.00 15.00 C ATOM 175 O LYS A 11 61.315 -0.680 5.823 1.00 15.00 O ATOM 176 CB LYS A 11 64.020 -1.640 6.821 1.00 15.00 C ATOM 177 CG LYS A 11 64.483 -2.682 5.802 1.00 15.00 C ATOM 178 CD LYS A 11 64.763 -4.007 6.516 1.00 15.00 C ATOM 179 CE LYS A 11 65.404 -4.991 5.534 1.00 15.00 C ATOM 180 NZ LYS A 11 65.418 -6.295 6.254 1.00 15.00 N ATOM 0 H LYS A 11 63.241 0.289 8.098 1.00 15.00 H new ATOM 0 HA LYS A 11 64.461 -0.037 5.404 1.00 15.00 H new ATOM 0 HB2 LYS A 11 64.803 -1.465 7.559 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.148 -2.008 7.362 1.00 15.00 H new ATOM 0 HG2 LYS A 11 63.719 -2.823 5.038 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.382 -2.334 5.293 1.00 15.00 H new ATOM 0 HD2 LYS A 11 65.425 -3.841 7.366 1.00 15.00 H new ATOM 0 HD3 LYS A 11 63.836 -4.423 6.911 1.00 15.00 H new ATOM 0 HE2 LYS A 11 64.831 -5.056 4.609 1.00 15.00 H new ATOM 0 HE3 LYS A 11 66.412 -4.678 5.263 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 65.844 -7.023 5.645 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 65.976 -6.204 7.127 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 64.444 -6.570 6.493 1.00 15.00 H new ATOM 194 N ILE A 12 62.502 -0.428 3.974 1.00 15.00 N ATOM 195 CA ILE A 12 61.289 -0.518 3.103 1.00 15.00 C ATOM 196 C ILE A 12 61.520 -1.548 1.991 1.00 15.00 C ATOM 197 O ILE A 12 62.636 -1.752 1.543 1.00 15.00 O ATOM 198 CB ILE A 12 61.098 0.891 2.516 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.876 1.900 3.653 1.00 15.00 C ATOM 200 CG2 ILE A 12 59.875 0.907 1.589 1.00 15.00 C ATOM 201 CD1 ILE A 12 60.929 3.325 3.097 1.00 15.00 C ATOM 0 H ILE A 12 63.384 -0.314 3.474 1.00 15.00 H new ATOM 0 HA ILE A 12 60.406 -0.839 3.656 1.00 15.00 H new ATOM 0 HB ILE A 12 61.990 1.162 1.951 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.912 1.721 4.128 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.639 1.771 4.421 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.744 1.907 1.176 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.025 0.196 0.777 1.00 15.00 H new ATOM 0 HG23 ILE A 12 58.986 0.629 2.155 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.771 4.038 3.907 1.00 15.00 H new ATOM 0 HD12 ILE A 12 61.904 3.502 2.643 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.150 3.451 2.345 1.00 15.00 H new ATOM 213 N SER A 13 60.469 -2.194 1.552 1.00 15.00 N ATOM 214 CA SER A 13 60.577 -3.143 0.408 1.00 15.00 C ATOM 215 C SER A 13 59.821 -2.580 -0.799 1.00 15.00 C ATOM 216 O SER A 13 58.704 -2.114 -0.677 1.00 15.00 O ATOM 217 CB SER A 13 59.922 -4.434 0.897 1.00 15.00 C ATOM 218 OG SER A 13 60.055 -5.437 -0.102 1.00 15.00 O ATOM 0 H SER A 13 59.532 -2.101 1.944 1.00 15.00 H new ATOM 0 HA SER A 13 61.609 -3.308 0.097 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.390 -4.764 1.824 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.868 -4.260 1.116 1.00 15.00 H new ATOM 0 HG SER A 13 59.296 -6.054 -0.049 1.00 15.00 H new ATOM 224 N LEU A 14 60.427 -2.623 -1.958 1.00 15.00 N ATOM 225 CA LEU A 14 59.798 -2.018 -3.170 1.00 15.00 C ATOM 226 C LEU A 14 59.658 -3.067 -4.276 1.00 15.00 C ATOM 227 O LEU A 14 60.585 -3.802 -4.562 1.00 15.00 O ATOM 228 CB LEU A 14 60.767 -0.916 -3.599 1.00 15.00 C ATOM 229 CG LEU A 14 60.041 0.085 -4.498 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.253 1.068 -3.630 1.00 15.00 C ATOM 231 CD2 LEU A 14 61.066 0.854 -5.337 1.00 15.00 C ATOM 0 H LEU A 14 61.337 -3.055 -2.117 1.00 15.00 H new ATOM 0 HA LEU A 14 58.797 -1.634 -2.971 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.167 -0.408 -2.722 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.614 -1.350 -4.131 1.00 15.00 H new ATOM 0 HG LEU A 14 59.357 -0.448 -5.159 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.734 1.783 -4.269 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.524 0.521 -3.031 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.938 1.601 -2.971 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.549 1.568 -5.978 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.750 1.388 -4.677 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.630 0.154 -5.954 1.00 15.00 H new ATOM 243 N ILE A 15 58.505 -3.140 -4.894 1.00 15.00 N ATOM 244 CA ILE A 15 58.311 -4.092 -6.031 1.00 15.00 C ATOM 245 C ILE A 15 58.246 -3.300 -7.341 1.00 15.00 C ATOM 246 O ILE A 15 57.415 -2.420 -7.497 1.00 15.00 O ATOM 247 CB ILE A 15 56.975 -4.802 -5.749 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.057 -5.549 -4.411 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.676 -5.809 -6.866 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.655 -5.994 -3.986 1.00 15.00 C ATOM 0 H ILE A 15 57.687 -2.579 -4.659 1.00 15.00 H new ATOM 0 HA ILE A 15 59.124 -4.812 -6.123 1.00 15.00 H new ATOM 0 HB ILE A 15 56.181 -4.056 -5.705 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.712 -6.415 -4.506 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.492 -4.903 -3.648 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.729 -6.309 -6.661 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.611 -5.286 -7.820 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.475 -6.549 -6.912 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.714 -6.524 -3.036 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.014 -5.120 -3.874 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.237 -6.655 -4.745 1.00 15.00 H new ATOM 262 N SER A 16 59.113 -3.609 -8.276 1.00 15.00 N ATOM 263 CA SER A 16 59.230 -2.773 -9.513 1.00 15.00 C ATOM 264 C SER A 16 58.371 -3.348 -10.645 1.00 15.00 C ATOM 265 O SER A 16 57.814 -4.423 -10.532 1.00 15.00 O ATOM 266 CB SER A 16 60.713 -2.826 -9.887 1.00 15.00 C ATOM 267 OG SER A 16 61.418 -1.836 -9.148 1.00 15.00 O ATOM 0 H SER A 16 59.747 -4.407 -8.235 1.00 15.00 H new ATOM 0 HA SER A 16 58.882 -1.753 -9.348 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.119 -3.815 -9.673 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.837 -2.655 -10.956 1.00 15.00 H new ATOM 0 HG SER A 16 62.369 -1.868 -9.383 1.00 15.00 H new ATOM 273 N LYS A 17 58.268 -2.631 -11.741 1.00 15.00 N ATOM 274 CA LYS A 17 57.412 -3.094 -12.887 1.00 15.00 C ATOM 275 C LYS A 17 57.883 -4.454 -13.428 1.00 15.00 C ATOM 276 O LYS A 17 57.137 -5.150 -14.093 1.00 15.00 O ATOM 277 CB LYS A 17 57.561 -2.017 -13.966 1.00 15.00 C ATOM 278 CG LYS A 17 56.526 -2.250 -15.069 1.00 15.00 C ATOM 279 CD LYS A 17 56.716 -1.209 -16.175 1.00 15.00 C ATOM 280 CE LYS A 17 55.576 -1.327 -17.190 1.00 15.00 C ATOM 281 NZ LYS A 17 55.551 -0.014 -17.892 1.00 15.00 N ATOM 0 H LYS A 17 58.742 -1.741 -11.893 1.00 15.00 H new ATOM 0 HA LYS A 17 56.377 -3.229 -12.574 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.425 -1.028 -13.528 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.567 -2.044 -14.385 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.634 -3.255 -15.478 1.00 15.00 H new ATOM 0 HG3 LYS A 17 55.519 -2.180 -14.658 1.00 15.00 H new ATOM 0 HD2 LYS A 17 56.733 -0.207 -15.747 1.00 15.00 H new ATOM 0 HD3 LYS A 17 57.675 -1.360 -16.670 1.00 15.00 H new ATOM 0 HE2 LYS A 17 55.752 -2.145 -17.888 1.00 15.00 H new ATOM 0 HE3 LYS A 17 54.626 -1.529 -16.695 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 54.794 -0.016 -18.605 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 55.375 0.745 -17.203 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 56.466 0.148 -18.359 1.00 15.00 H new ATOM 295 N ALA A 18 59.110 -4.839 -13.151 1.00 15.00 N ATOM 296 CA ALA A 18 59.632 -6.140 -13.680 1.00 15.00 C ATOM 297 C ALA A 18 59.338 -7.297 -12.709 1.00 15.00 C ATOM 298 O ALA A 18 59.917 -8.359 -12.822 1.00 15.00 O ATOM 299 CB ALA A 18 61.142 -5.935 -13.816 1.00 15.00 C ATOM 0 H ALA A 18 59.770 -4.308 -12.582 1.00 15.00 H new ATOM 0 HA ALA A 18 59.159 -6.405 -14.626 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.600 -6.847 -14.199 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.337 -5.113 -14.505 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.566 -5.698 -12.840 1.00 15.00 H new ATOM 305 N GLU A 19 58.445 -7.099 -11.755 1.00 15.00 N ATOM 306 CA GLU A 19 58.075 -8.191 -10.788 1.00 15.00 C ATOM 307 C GLU A 19 59.313 -8.691 -10.030 1.00 15.00 C ATOM 308 O GLU A 19 59.369 -9.828 -9.602 1.00 15.00 O ATOM 309 CB GLU A 19 57.452 -9.320 -11.626 1.00 15.00 C ATOM 310 CG GLU A 19 56.172 -8.815 -12.299 1.00 15.00 C ATOM 311 CD GLU A 19 55.492 -9.968 -13.041 1.00 15.00 C ATOM 312 OE1 GLU A 19 54.279 -10.068 -12.953 1.00 15.00 O ATOM 313 OE2 GLU A 19 56.194 -10.730 -13.686 1.00 15.00 O ATOM 0 H GLU A 19 57.954 -6.218 -11.606 1.00 15.00 H new ATOM 0 HA GLU A 19 57.374 -7.829 -10.036 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.161 -9.660 -12.380 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.227 -10.176 -10.990 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.495 -8.401 -11.552 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.408 -8.010 -12.995 1.00 15.00 H new ATOM 320 N ILE A 20 60.302 -7.845 -9.866 1.00 15.00 N ATOM 321 CA ILE A 20 61.476 -8.203 -9.012 1.00 15.00 C ATOM 322 C ILE A 20 61.364 -7.463 -7.674 1.00 15.00 C ATOM 323 O ILE A 20 60.838 -6.365 -7.610 1.00 15.00 O ATOM 324 CB ILE A 20 62.714 -7.736 -9.795 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.792 -8.478 -11.134 1.00 15.00 C ATOM 326 CG2 ILE A 20 63.982 -8.034 -8.987 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.808 -7.786 -12.045 1.00 15.00 C ATOM 0 H ILE A 20 60.345 -6.918 -10.289 1.00 15.00 H new ATOM 0 HA ILE A 20 61.531 -9.270 -8.796 1.00 15.00 H new ATOM 0 HB ILE A 20 62.634 -6.664 -9.973 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.083 -9.516 -10.970 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.812 -8.493 -11.611 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.856 -7.701 -9.546 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.938 -7.507 -8.034 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.054 -9.106 -8.805 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.863 -8.315 -12.997 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.498 -6.756 -12.219 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.788 -7.794 -11.569 1.00 15.00 H new ATOM 339 N ARG A 21 61.854 -8.056 -6.611 1.00 15.00 N ATOM 340 CA ARG A 21 61.714 -7.427 -5.263 1.00 15.00 C ATOM 341 C ARG A 21 63.061 -6.873 -4.785 1.00 15.00 C ATOM 342 O ARG A 21 64.032 -7.598 -4.664 1.00 15.00 O ATOM 343 CB ARG A 21 61.247 -8.559 -4.348 1.00 15.00 C ATOM 344 CG ARG A 21 60.506 -7.972 -3.144 1.00 15.00 C ATOM 345 CD ARG A 21 59.655 -9.062 -2.487 1.00 15.00 C ATOM 346 NE ARG A 21 60.633 -9.940 -1.773 1.00 15.00 N ATOM 347 CZ ARG A 21 61.170 -9.585 -0.621 1.00 15.00 C ATOM 348 NH1 ARG A 21 60.885 -8.436 -0.052 1.00 15.00 N ATOM 349 NH2 ARG A 21 62.010 -10.394 -0.034 1.00 15.00 N ATOM 0 H ARG A 21 62.345 -8.950 -6.621 1.00 15.00 H new ATOM 0 HA ARG A 21 61.016 -6.590 -5.272 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.592 -9.237 -4.896 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.102 -9.145 -4.011 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.220 -7.570 -2.425 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.873 -7.144 -3.462 1.00 15.00 H new ATOM 0 HD2 ARG A 21 58.931 -8.633 -1.794 1.00 15.00 H new ATOM 0 HD3 ARG A 21 59.090 -9.624 -3.231 1.00 15.00 H new ATOM 0 HE ARG A 21 60.891 -10.836 -2.187 1.00 15.00 H new ATOM 0 HH11 ARG A 21 60.234 -7.792 -0.501 1.00 15.00 H new ATOM 0 HH12 ARG A 21 61.315 -8.188 0.839 1.00 15.00 H new ATOM 0 HH21 ARG A 21 62.244 -11.288 -0.466 1.00 15.00 H new ATOM 0 HH22 ARG A 21 62.432 -10.132 0.857 1.00 15.00 H new ATOM 363 N TYR A 22 63.116 -5.592 -4.515 1.00 15.00 N ATOM 364 CA TYR A 22 64.361 -4.981 -3.958 1.00 15.00 C ATOM 365 C TYR A 22 64.114 -4.529 -2.516 1.00 15.00 C ATOM 366 O TYR A 22 63.074 -3.982 -2.208 1.00 15.00 O ATOM 367 CB TYR A 22 64.641 -3.765 -4.840 1.00 15.00 C ATOM 368 CG TYR A 22 65.033 -4.107 -6.258 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.401 -4.210 -6.610 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.033 -4.317 -7.239 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.768 -4.521 -7.942 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.399 -4.628 -8.570 1.00 15.00 C ATOM 373 CZ TYR A 22 65.767 -4.731 -8.923 1.00 15.00 C ATOM 374 OH TYR A 22 66.125 -5.034 -10.220 1.00 15.00 O ATOM 0 H TYR A 22 62.345 -4.939 -4.658 1.00 15.00 H new ATOM 0 HA TYR A 22 65.195 -5.683 -3.950 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.753 -3.134 -4.863 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.438 -3.177 -4.386 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.164 -4.051 -5.863 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.990 -4.240 -6.971 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.811 -4.598 -8.210 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.635 -4.787 -9.317 1.00 15.00 H new ATOM 0 HH TYR A 22 65.318 -5.148 -10.764 1.00 15.00 H new ATOM 384 N GLU A 23 65.056 -4.752 -1.635 1.00 15.00 N ATOM 385 CA GLU A 23 64.929 -4.213 -0.245 1.00 15.00 C ATOM 386 C GLU A 23 66.102 -3.281 0.061 1.00 15.00 C ATOM 387 O GLU A 23 67.226 -3.545 -0.322 1.00 15.00 O ATOM 388 CB GLU A 23 64.969 -5.441 0.665 1.00 15.00 C ATOM 389 CG GLU A 23 63.677 -6.244 0.496 1.00 15.00 C ATOM 390 CD GLU A 23 63.540 -7.248 1.644 1.00 15.00 C ATOM 391 OE1 GLU A 23 63.125 -8.366 1.380 1.00 15.00 O ATOM 392 OE2 GLU A 23 63.846 -6.884 2.768 1.00 15.00 O ATOM 0 H GLU A 23 65.907 -5.284 -1.817 1.00 15.00 H new ATOM 0 HA GLU A 23 64.015 -3.636 -0.106 1.00 15.00 H new ATOM 0 HB2 GLU A 23 65.830 -6.062 0.418 1.00 15.00 H new ATOM 0 HB3 GLU A 23 65.085 -5.133 1.704 1.00 15.00 H new ATOM 0 HG2 GLU A 23 62.819 -5.572 0.483 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.686 -6.768 -0.460 1.00 15.00 H new ATOM 399 N GLY A 24 65.843 -2.196 0.749 1.00 15.00 N ATOM 400 CA GLY A 24 66.933 -1.233 1.087 1.00 15.00 C ATOM 401 C GLY A 24 66.444 -0.286 2.181 1.00 15.00 C ATOM 402 O GLY A 24 65.327 -0.400 2.649 1.00 15.00 O ATOM 0 H GLY A 24 64.918 -1.936 1.092 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.819 -1.771 1.424 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.222 -0.667 0.202 1.00 15.00 H new ATOM 406 N ILE A 25 67.266 0.649 2.592 1.00 15.00 N ATOM 407 CA ILE A 25 66.844 1.597 3.672 1.00 15.00 C ATOM 408 C ILE A 25 66.584 2.982 3.073 1.00 15.00 C ATOM 409 O ILE A 25 67.362 3.481 2.282 1.00 15.00 O ATOM 410 CB ILE A 25 68.012 1.647 4.674 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.409 0.223 5.124 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.598 2.470 5.900 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.214 -0.501 5.762 1.00 15.00 C ATOM 0 H ILE A 25 68.207 0.797 2.228 1.00 15.00 H new ATOM 0 HA ILE A 25 65.924 1.276 4.160 1.00 15.00 H new ATOM 0 HB ILE A 25 68.869 2.111 4.185 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.770 -0.346 4.267 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.230 0.278 5.839 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.424 2.506 6.610 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.343 3.483 5.589 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.732 2.007 6.374 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.517 -1.501 6.071 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.871 0.059 6.632 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.404 -0.575 5.036 1.00 15.00 H new ATOM 425 N LEU A 26 65.492 3.604 3.451 1.00 15.00 N ATOM 426 CA LEU A 26 65.126 4.938 2.868 1.00 15.00 C ATOM 427 C LEU A 26 66.208 5.975 3.184 1.00 15.00 C ATOM 428 O LEU A 26 66.392 6.355 4.324 1.00 15.00 O ATOM 429 CB LEU A 26 63.808 5.324 3.545 1.00 15.00 C ATOM 430 CG LEU A 26 63.133 6.446 2.758 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.457 5.864 1.516 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.080 7.120 3.639 1.00 15.00 C ATOM 0 H LEU A 26 64.834 3.244 4.142 1.00 15.00 H new ATOM 0 HA LEU A 26 65.032 4.896 1.783 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.149 4.458 3.599 1.00 15.00 H new ATOM 0 HB3 LEU A 26 63.995 5.647 4.569 1.00 15.00 H new ATOM 0 HG LEU A 26 63.881 7.179 2.455 1.00 15.00 H new ATOM 0 HD11 LEU A 26 61.976 6.665 0.955 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.205 5.380 0.888 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.708 5.132 1.819 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.597 7.921 3.080 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.333 6.385 3.940 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.559 7.534 4.526 1.00 15.00 H new ATOM 444 N TYR A 27 66.919 6.429 2.180 1.00 15.00 N ATOM 445 CA TYR A 27 68.022 7.409 2.418 1.00 15.00 C ATOM 446 C TYR A 27 67.511 8.842 2.236 1.00 15.00 C ATOM 447 O TYR A 27 67.689 9.682 3.098 1.00 15.00 O ATOM 448 CB TYR A 27 69.081 7.079 1.366 1.00 15.00 C ATOM 449 CG TYR A 27 70.335 7.911 1.495 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.108 7.844 2.680 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.737 8.758 0.434 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.283 8.626 2.804 1.00 15.00 C ATOM 453 CE2 TYR A 27 71.912 9.539 0.558 1.00 15.00 C ATOM 454 CZ TYR A 27 72.685 9.473 1.744 1.00 15.00 C ATOM 455 OH TYR A 27 73.829 10.234 1.865 1.00 15.00 O ATOM 0 H TYR A 27 66.782 6.162 1.205 1.00 15.00 H new ATOM 0 HA TYR A 27 68.419 7.342 3.431 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.344 6.024 1.445 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.655 7.228 0.374 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.802 7.197 3.489 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.148 8.809 -0.470 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.872 8.576 3.708 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.219 10.185 -0.251 1.00 15.00 H new ATOM 0 HH TYR A 27 73.961 10.758 1.047 1.00 15.00 H new ATOM 465 N THR A 28 66.878 9.122 1.121 1.00 15.00 N ATOM 466 CA THR A 28 66.379 10.510 0.867 1.00 15.00 C ATOM 467 C THR A 28 65.042 10.472 0.122 1.00 15.00 C ATOM 468 O THR A 28 64.819 9.627 -0.725 1.00 15.00 O ATOM 469 CB THR A 28 67.455 11.173 0.004 1.00 15.00 C ATOM 470 OG1 THR A 28 67.822 10.296 -1.052 1.00 15.00 O ATOM 471 CG2 THR A 28 68.682 11.485 0.862 1.00 15.00 C ATOM 0 H THR A 28 66.686 8.450 0.378 1.00 15.00 H new ATOM 0 HA THR A 28 66.207 11.056 1.794 1.00 15.00 H new ATOM 0 HB THR A 28 67.063 12.100 -0.414 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.387 10.775 -1.694 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.447 11.957 0.245 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.399 12.160 1.669 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.076 10.560 1.284 1.00 15.00 H new ATOM 479 N ILE A 29 64.155 11.386 0.436 1.00 15.00 N ATOM 480 CA ILE A 29 62.815 11.411 -0.232 1.00 15.00 C ATOM 481 C ILE A 29 62.658 12.715 -1.026 1.00 15.00 C ATOM 482 O ILE A 29 62.809 13.796 -0.487 1.00 15.00 O ATOM 483 CB ILE A 29 61.787 11.347 0.911 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.003 10.080 1.751 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.368 11.320 0.329 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.195 10.179 3.049 1.00 15.00 C ATOM 0 H ILE A 29 64.303 12.119 1.130 1.00 15.00 H new ATOM 0 HA ILE A 29 62.685 10.586 -0.932 1.00 15.00 H new ATOM 0 HB ILE A 29 61.915 12.226 1.542 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.696 9.200 1.186 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.062 9.959 1.979 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.642 11.275 1.141 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.199 12.222 -0.259 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.253 10.444 -0.309 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.350 9.279 3.644 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.524 11.050 3.617 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.136 10.279 2.812 1.00 15.00 H new ATOM 498 N ASP A 30 62.357 12.617 -2.300 1.00 15.00 N ATOM 499 CA ASP A 30 62.134 13.844 -3.123 1.00 15.00 C ATOM 500 C ASP A 30 60.662 13.933 -3.534 1.00 15.00 C ATOM 501 O ASP A 30 60.246 13.325 -4.503 1.00 15.00 O ATOM 502 CB ASP A 30 63.029 13.667 -4.350 1.00 15.00 C ATOM 503 CG ASP A 30 63.111 14.987 -5.121 1.00 15.00 C ATOM 504 OD1 ASP A 30 63.278 16.013 -4.483 1.00 15.00 O ATOM 505 OD2 ASP A 30 63.005 14.948 -6.335 1.00 15.00 O ATOM 0 H ASP A 30 62.256 11.736 -2.804 1.00 15.00 H new ATOM 0 HA ASP A 30 62.370 14.760 -2.581 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.026 13.351 -4.043 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.630 12.883 -4.993 1.00 15.00 H new ATOM 510 N THR A 31 59.877 14.686 -2.803 1.00 15.00 N ATOM 511 CA THR A 31 58.412 14.766 -3.101 1.00 15.00 C ATOM 512 C THR A 31 58.172 15.542 -4.399 1.00 15.00 C ATOM 513 O THR A 31 57.288 15.216 -5.169 1.00 15.00 O ATOM 514 CB THR A 31 57.795 15.509 -1.912 1.00 15.00 C ATOM 515 OG1 THR A 31 58.236 14.912 -0.702 1.00 15.00 O ATOM 516 CG2 THR A 31 56.269 15.432 -1.995 1.00 15.00 C ATOM 0 H THR A 31 60.188 15.250 -2.012 1.00 15.00 H new ATOM 0 HA THR A 31 57.971 13.778 -3.235 1.00 15.00 H new ATOM 0 HB THR A 31 58.105 16.554 -1.936 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.843 15.388 0.060 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.831 15.961 -1.148 1.00 15.00 H new ATOM 0 HG22 THR A 31 55.931 15.892 -2.924 1.00 15.00 H new ATOM 0 HG23 THR A 31 55.956 14.388 -1.972 1.00 15.00 H new ATOM 524 N GLU A 32 58.961 16.559 -4.652 1.00 15.00 N ATOM 525 CA GLU A 32 58.678 17.479 -5.806 1.00 15.00 C ATOM 526 C GLU A 32 58.654 16.707 -7.134 1.00 15.00 C ATOM 527 O GLU A 32 57.965 17.086 -8.063 1.00 15.00 O ATOM 528 CB GLU A 32 59.824 18.495 -5.803 1.00 15.00 C ATOM 529 CG GLU A 32 59.505 19.630 -6.780 1.00 15.00 C ATOM 530 CD GLU A 32 60.696 20.587 -6.859 1.00 15.00 C ATOM 531 OE1 GLU A 32 61.230 20.926 -5.816 1.00 15.00 O ATOM 532 OE2 GLU A 32 61.055 20.964 -7.962 1.00 15.00 O ATOM 0 H GLU A 32 59.792 16.794 -4.109 1.00 15.00 H new ATOM 0 HA GLU A 32 57.703 17.957 -5.706 1.00 15.00 H new ATOM 0 HB2 GLU A 32 59.967 18.895 -4.799 1.00 15.00 H new ATOM 0 HB3 GLU A 32 60.757 18.008 -6.088 1.00 15.00 H new ATOM 0 HG2 GLU A 32 59.286 19.223 -7.767 1.00 15.00 H new ATOM 0 HG3 GLU A 32 58.615 20.167 -6.452 1.00 15.00 H new ATOM 539 N ASN A 33 59.400 15.633 -7.226 1.00 15.00 N ATOM 540 CA ASN A 33 59.472 14.871 -8.515 1.00 15.00 C ATOM 541 C ASN A 33 58.901 13.451 -8.365 1.00 15.00 C ATOM 542 O ASN A 33 59.102 12.611 -9.222 1.00 15.00 O ATOM 543 CB ASN A 33 60.963 14.809 -8.849 1.00 15.00 C ATOM 544 CG ASN A 33 61.478 16.212 -9.191 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.977 17.198 -8.688 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.469 16.341 -10.031 1.00 15.00 N ATOM 0 H ASN A 33 59.962 15.250 -6.466 1.00 15.00 H new ATOM 0 HA ASN A 33 58.884 15.353 -9.296 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.518 14.404 -8.003 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.129 14.136 -9.690 1.00 15.00 H new ATOM 0 HD21 ASN A 33 62.822 17.269 -10.265 1.00 15.00 H new ATOM 0 HD22 ASN A 33 62.890 15.514 -10.454 1.00 15.00 H new ATOM 553 N SER A 34 58.189 13.173 -7.288 1.00 15.00 N ATOM 554 CA SER A 34 57.659 11.785 -7.040 1.00 15.00 C ATOM 555 C SER A 34 58.769 10.728 -7.193 1.00 15.00 C ATOM 556 O SER A 34 58.594 9.720 -7.857 1.00 15.00 O ATOM 557 CB SER A 34 56.563 11.579 -8.091 1.00 15.00 C ATOM 558 OG SER A 34 55.389 12.272 -7.688 1.00 15.00 O ATOM 0 H SER A 34 57.952 13.854 -6.566 1.00 15.00 H new ATOM 0 HA SER A 34 57.277 11.677 -6.025 1.00 15.00 H new ATOM 0 HB2 SER A 34 56.900 11.945 -9.061 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.350 10.516 -8.207 1.00 15.00 H new ATOM 0 HG SER A 34 54.687 12.144 -8.359 1.00 15.00 H new ATOM 564 N THR A 35 59.907 10.955 -6.579 1.00 15.00 N ATOM 565 CA THR A 35 61.044 9.991 -6.711 1.00 15.00 C ATOM 566 C THR A 35 61.634 9.666 -5.335 1.00 15.00 C ATOM 567 O THR A 35 61.633 10.488 -4.437 1.00 15.00 O ATOM 568 CB THR A 35 62.081 10.711 -7.579 1.00 15.00 C ATOM 569 OG1 THR A 35 62.278 12.029 -7.086 1.00 15.00 O ATOM 570 CG2 THR A 35 61.596 10.776 -9.031 1.00 15.00 C ATOM 0 H THR A 35 60.096 11.767 -5.992 1.00 15.00 H new ATOM 0 HA THR A 35 60.727 9.045 -7.151 1.00 15.00 H new ATOM 0 HB THR A 35 63.021 10.161 -7.541 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.956 12.483 -7.629 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.340 11.290 -9.640 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.450 9.765 -9.412 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.652 11.320 -9.075 1.00 15.00 H new ATOM 578 N VAL A 36 62.140 8.468 -5.169 1.00 15.00 N ATOM 579 CA VAL A 36 62.745 8.072 -3.858 1.00 15.00 C ATOM 580 C VAL A 36 64.122 7.439 -4.097 1.00 15.00 C ATOM 581 O VAL A 36 64.308 6.679 -5.031 1.00 15.00 O ATOM 582 CB VAL A 36 61.768 7.051 -3.254 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.284 6.579 -1.890 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.390 7.697 -3.067 1.00 15.00 C ATOM 0 H VAL A 36 62.160 7.745 -5.888 1.00 15.00 H new ATOM 0 HA VAL A 36 62.894 8.921 -3.191 1.00 15.00 H new ATOM 0 HB VAL A 36 61.687 6.200 -3.931 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.587 5.856 -1.468 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.261 6.112 -2.012 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.371 7.433 -1.219 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.702 6.968 -2.639 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.477 8.552 -2.397 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.010 8.030 -4.033 1.00 15.00 H new ATOM 594 N ALA A 37 65.082 7.749 -3.260 1.00 15.00 N ATOM 595 CA ALA A 37 66.443 7.145 -3.411 1.00 15.00 C ATOM 596 C ALA A 37 66.733 6.209 -2.235 1.00 15.00 C ATOM 597 O ALA A 37 66.589 6.585 -1.084 1.00 15.00 O ATOM 598 CB ALA A 37 67.417 8.329 -3.412 1.00 15.00 C ATOM 0 H ALA A 37 64.982 8.395 -2.477 1.00 15.00 H new ATOM 0 HA ALA A 37 66.532 6.553 -4.322 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.437 7.961 -3.520 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.181 8.993 -4.243 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.326 8.876 -2.474 1.00 15.00 H new ATOM 604 N LEU A 38 67.145 4.997 -2.523 1.00 15.00 N ATOM 605 CA LEU A 38 67.425 4.008 -1.438 1.00 15.00 C ATOM 606 C LEU A 38 68.905 3.622 -1.454 1.00 15.00 C ATOM 607 O LEU A 38 69.486 3.419 -2.504 1.00 15.00 O ATOM 608 CB LEU A 38 66.560 2.790 -1.770 1.00 15.00 C ATOM 609 CG LEU A 38 65.106 3.057 -1.379 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.197 2.038 -2.068 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.952 2.923 0.137 1.00 15.00 C ATOM 0 H LEU A 38 67.300 4.650 -3.470 1.00 15.00 H new ATOM 0 HA LEU A 38 67.202 4.409 -0.449 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.624 2.568 -2.835 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.933 1.914 -1.239 1.00 15.00 H new ATOM 0 HG LEU A 38 64.828 4.065 -1.688 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.160 2.228 -1.789 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.304 2.127 -3.149 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.477 1.032 -1.757 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.916 3.113 0.416 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.231 1.915 0.443 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.600 3.645 0.634 1.00 15.00 H new ATOM 623 N ALA A 39 69.514 3.521 -0.299 1.00 15.00 N ATOM 624 CA ALA A 39 70.954 3.130 -0.233 1.00 15.00 C ATOM 625 C ALA A 39 71.095 1.783 0.482 1.00 15.00 C ATOM 626 O ALA A 39 70.180 1.331 1.149 1.00 15.00 O ATOM 627 CB ALA A 39 71.633 4.240 0.570 1.00 15.00 C ATOM 0 H ALA A 39 69.073 3.693 0.604 1.00 15.00 H new ATOM 0 HA ALA A 39 71.400 3.017 -1.221 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.697 4.024 0.662 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.499 5.193 0.058 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.187 4.296 1.563 1.00 15.00 H new ATOM 633 N LYS A 40 72.238 1.140 0.347 1.00 15.00 N ATOM 634 CA LYS A 40 72.448 -0.216 0.966 1.00 15.00 C ATOM 635 C LYS A 40 71.304 -1.167 0.578 1.00 15.00 C ATOM 636 O LYS A 40 70.608 -1.702 1.424 1.00 15.00 O ATOM 637 CB LYS A 40 72.477 0.023 2.483 1.00 15.00 C ATOM 638 CG LYS A 40 73.709 0.855 2.847 1.00 15.00 C ATOM 639 CD LYS A 40 73.798 0.994 4.368 1.00 15.00 C ATOM 640 CE LYS A 40 74.969 1.910 4.730 1.00 15.00 C ATOM 641 NZ LYS A 40 74.433 3.292 4.584 1.00 15.00 N ATOM 0 H LYS A 40 73.040 1.500 -0.170 1.00 15.00 H new ATOM 0 HA LYS A 40 73.370 -0.683 0.620 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.570 0.540 2.797 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.500 -0.930 3.011 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.610 0.378 2.461 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.646 1.840 2.384 1.00 15.00 H new ATOM 0 HD2 LYS A 40 72.867 1.403 4.761 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.934 0.014 4.826 1.00 15.00 H new ATOM 0 HE2 LYS A 40 75.315 1.726 5.747 1.00 15.00 H new ATOM 0 HE3 LYS A 40 75.820 1.744 4.069 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 75.137 3.888 4.104 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 73.558 3.268 4.022 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 74.229 3.686 5.524 1.00 15.00 H new ATOM 655 N VAL A 41 71.113 -1.378 -0.702 1.00 15.00 N ATOM 656 CA VAL A 41 69.932 -2.165 -1.173 1.00 15.00 C ATOM 657 C VAL A 41 70.393 -3.384 -1.987 1.00 15.00 C ATOM 658 O VAL A 41 71.411 -3.348 -2.653 1.00 15.00 O ATOM 659 CB VAL A 41 69.117 -1.180 -2.033 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.915 -0.754 -3.271 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.807 -1.844 -2.478 1.00 15.00 C ATOM 0 H VAL A 41 71.727 -1.038 -1.442 1.00 15.00 H new ATOM 0 HA VAL A 41 69.336 -2.561 -0.351 1.00 15.00 H new ATOM 0 HB VAL A 41 68.899 -0.296 -1.433 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.322 -0.059 -3.865 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.839 -0.268 -2.959 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.152 -1.633 -3.871 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.233 -1.145 -3.086 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.032 -2.735 -3.064 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.225 -2.124 -1.600 1.00 15.00 H new ATOM 671 N ARG A 42 69.643 -4.455 -1.930 1.00 15.00 N ATOM 672 CA ARG A 42 70.002 -5.678 -2.710 1.00 15.00 C ATOM 673 C ARG A 42 68.747 -6.277 -3.354 1.00 15.00 C ATOM 674 O ARG A 42 67.659 -6.172 -2.819 1.00 15.00 O ATOM 675 CB ARG A 42 70.592 -6.645 -1.683 1.00 15.00 C ATOM 676 CG ARG A 42 71.202 -7.850 -2.403 1.00 15.00 C ATOM 677 CD ARG A 42 71.636 -8.899 -1.373 1.00 15.00 C ATOM 678 NE ARG A 42 72.766 -8.269 -0.615 1.00 15.00 N ATOM 679 CZ ARG A 42 73.168 -8.752 0.544 1.00 15.00 C ATOM 680 NH1 ARG A 42 72.603 -9.806 1.087 1.00 15.00 N ATOM 681 NH2 ARG A 42 74.156 -8.169 1.168 1.00 15.00 N ATOM 0 H ARG A 42 68.792 -4.535 -1.373 1.00 15.00 H new ATOM 0 HA ARG A 42 70.704 -5.464 -3.516 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.354 -6.140 -1.089 1.00 15.00 H new ATOM 0 HB3 ARG A 42 69.816 -6.976 -0.992 1.00 15.00 H new ATOM 0 HG2 ARG A 42 70.475 -8.281 -3.092 1.00 15.00 H new ATOM 0 HG3 ARG A 42 72.058 -7.535 -2.999 1.00 15.00 H new ATOM 0 HD2 ARG A 42 70.813 -9.160 -0.707 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.955 -9.820 -1.861 1.00 15.00 H new ATOM 0 HE ARG A 42 73.233 -7.450 -1.004 1.00 15.00 H new ATOM 0 HH11 ARG A 42 71.832 -10.273 0.611 1.00 15.00 H new ATOM 0 HH12 ARG A 42 72.936 -10.157 1.985 1.00 15.00 H new ATOM 0 HH21 ARG A 42 74.606 -7.351 0.758 1.00 15.00 H new ATOM 0 HH22 ARG A 42 74.477 -8.532 2.065 1.00 15.00 H new ATOM 695 N SER A 43 68.897 -6.899 -4.498 1.00 15.00 N ATOM 696 CA SER A 43 67.732 -7.565 -5.157 1.00 15.00 C ATOM 697 C SER A 43 67.727 -9.058 -4.809 1.00 15.00 C ATOM 698 O SER A 43 68.739 -9.727 -4.915 1.00 15.00 O ATOM 699 CB SER A 43 67.953 -7.348 -6.657 1.00 15.00 C ATOM 700 OG SER A 43 68.994 -8.202 -7.116 1.00 15.00 O ATOM 0 H SER A 43 69.779 -6.974 -5.005 1.00 15.00 H new ATOM 0 HA SER A 43 66.773 -7.162 -4.832 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.033 -7.554 -7.204 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.212 -6.307 -6.850 1.00 15.00 H new ATOM 0 HG SER A 43 69.307 -8.764 -6.376 1.00 15.00 H new ATOM 706 N PHE A 44 66.597 -9.581 -4.396 1.00 15.00 N ATOM 707 CA PHE A 44 66.565 -10.991 -3.887 1.00 15.00 C ATOM 708 C PHE A 44 66.688 -11.986 -5.045 1.00 15.00 C ATOM 709 O PHE A 44 67.370 -12.989 -4.934 1.00 15.00 O ATOM 710 CB PHE A 44 65.208 -11.142 -3.192 1.00 15.00 C ATOM 711 CG PHE A 44 65.242 -10.784 -1.725 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.064 -11.793 -0.747 1.00 15.00 C ATOM 713 CD2 PHE A 44 65.451 -9.442 -1.328 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.097 -11.459 0.628 1.00 15.00 C ATOM 715 CE2 PHE A 44 65.485 -9.108 0.048 1.00 15.00 C ATOM 716 CZ PHE A 44 65.307 -10.116 1.026 1.00 15.00 C ATOM 0 H PHE A 44 65.700 -9.096 -4.389 1.00 15.00 H new ATOM 0 HA PHE A 44 67.394 -11.194 -3.209 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.478 -10.509 -3.696 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.866 -12.171 -3.299 1.00 15.00 H new ATOM 0 HD1 PHE A 44 64.903 -12.817 -1.050 1.00 15.00 H new ATOM 0 HD2 PHE A 44 65.585 -8.673 -2.074 1.00 15.00 H new ATOM 0 HE1 PHE A 44 64.962 -12.228 1.374 1.00 15.00 H new ATOM 0 HE2 PHE A 44 65.647 -8.084 0.351 1.00 15.00 H new ATOM 0 HZ PHE A 44 65.331 -9.861 2.075 1.00 15.00 H new ATOM 984 N PHE A 62 74.272 -2.870 -3.910 1.00 15.00 N ATOM 985 CA PHE A 62 74.311 -1.547 -4.603 1.00 15.00 C ATOM 986 C PHE A 62 74.320 -0.415 -3.572 1.00 15.00 C ATOM 987 O PHE A 62 73.481 -0.366 -2.689 1.00 15.00 O ATOM 988 CB PHE A 62 73.034 -1.502 -5.439 1.00 15.00 C ATOM 989 CG PHE A 62 73.027 -2.492 -6.581 1.00 15.00 C ATOM 990 CD1 PHE A 62 72.500 -3.792 -6.386 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.544 -2.118 -7.845 1.00 15.00 C ATOM 992 CE1 PHE A 62 72.492 -4.719 -7.456 1.00 15.00 C ATOM 993 CE2 PHE A 62 73.536 -3.046 -8.915 1.00 15.00 C ATOM 994 CZ PHE A 62 73.011 -4.347 -8.721 1.00 15.00 C ATOM 0 HA PHE A 62 75.203 -1.425 -5.217 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.179 -1.699 -4.793 1.00 15.00 H new ATOM 0 HB3 PHE A 62 72.906 -0.496 -5.839 1.00 15.00 H new ATOM 0 HD1 PHE A 62 72.105 -4.076 -5.422 1.00 15.00 H new ATOM 0 HD2 PHE A 62 73.944 -1.126 -7.993 1.00 15.00 H new ATOM 0 HE1 PHE A 62 72.090 -5.710 -7.308 1.00 15.00 H new ATOM 0 HE2 PHE A 62 73.930 -2.761 -9.879 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.006 -5.055 -9.537 1.00 15.00 H new ATOM 1004 N GLU A 63 75.262 0.490 -3.683 1.00 15.00 N ATOM 1005 CA GLU A 63 75.368 1.603 -2.684 1.00 15.00 C ATOM 1006 C GLU A 63 74.176 2.556 -2.812 1.00 15.00 C ATOM 1007 O GLU A 63 73.595 2.965 -1.822 1.00 15.00 O ATOM 1008 CB GLU A 63 76.673 2.330 -3.024 1.00 15.00 C ATOM 1009 CG GLU A 63 77.001 3.338 -1.920 1.00 15.00 C ATOM 1010 CD GLU A 63 78.214 4.174 -2.334 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.087 4.367 -1.505 1.00 15.00 O ATOM 1012 OE2 GLU A 63 78.249 4.609 -3.474 1.00 15.00 O ATOM 0 H GLU A 63 75.964 0.507 -4.423 1.00 15.00 H new ATOM 0 HA GLU A 63 75.365 1.229 -1.660 1.00 15.00 H new ATOM 0 HB2 GLU A 63 77.486 1.611 -3.127 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.577 2.842 -3.981 1.00 15.00 H new ATOM 0 HG2 GLU A 63 76.144 3.987 -1.739 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.208 2.816 -0.986 1.00 15.00 H new ATOM 1019 N TYR A 64 73.807 2.911 -4.020 1.00 15.00 N ATOM 1020 CA TYR A 64 72.699 3.896 -4.213 1.00 15.00 C ATOM 1021 C TYR A 64 71.961 3.625 -5.527 1.00 15.00 C ATOM 1022 O TYR A 64 72.551 3.630 -6.591 1.00 15.00 O ATOM 1023 CB TYR A 64 73.397 5.256 -4.262 1.00 15.00 C ATOM 1024 CG TYR A 64 72.461 6.430 -4.090 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.483 6.711 -5.075 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.567 7.256 -2.944 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.613 7.816 -4.914 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.695 8.360 -2.783 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.718 8.639 -3.768 1.00 15.00 C ATOM 1030 OH TYR A 64 69.869 9.717 -3.612 1.00 15.00 O ATOM 0 H TYR A 64 74.227 2.560 -4.881 1.00 15.00 H new ATOM 0 HA TYR A 64 71.953 3.840 -3.420 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.157 5.292 -3.481 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.915 5.354 -5.216 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.401 6.082 -5.949 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.313 7.044 -2.193 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.869 8.031 -5.666 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.776 8.989 -1.909 1.00 15.00 H new ATOM 0 HH TYR A 64 70.074 10.176 -2.771 1.00 15.00 H new ATOM 1040 N ILE A 65 70.672 3.389 -5.455 1.00 15.00 N ATOM 1041 CA ILE A 65 69.852 3.251 -6.702 1.00 15.00 C ATOM 1042 C ILE A 65 68.610 4.150 -6.605 1.00 15.00 C ATOM 1043 O ILE A 65 68.062 4.350 -5.536 1.00 15.00 O ATOM 1044 CB ILE A 65 69.458 1.765 -6.781 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.724 0.907 -6.908 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.562 1.526 -8.007 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.376 -0.576 -6.725 1.00 15.00 C ATOM 0 H ILE A 65 70.151 3.286 -4.584 1.00 15.00 H new ATOM 0 HA ILE A 65 70.399 3.556 -7.594 1.00 15.00 H new ATOM 0 HB ILE A 65 68.915 1.491 -5.877 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.182 1.063 -7.885 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.456 1.212 -6.160 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.287 0.472 -8.057 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.660 2.133 -7.923 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.102 1.803 -8.912 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.281 -1.176 -6.817 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.939 -0.728 -5.738 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.661 -0.879 -7.490 1.00 15.00 H new ATOM 1059 N ILE A 66 68.170 4.689 -7.717 1.00 15.00 N ATOM 1060 CA ILE A 66 66.991 5.610 -7.704 1.00 15.00 C ATOM 1061 C ILE A 66 65.786 4.928 -8.362 1.00 15.00 C ATOM 1062 O ILE A 66 65.910 4.294 -9.395 1.00 15.00 O ATOM 1063 CB ILE A 66 67.429 6.844 -8.514 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.636 7.507 -7.841 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.282 7.859 -8.583 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.278 8.502 -8.810 1.00 15.00 C ATOM 0 H ILE A 66 68.580 4.529 -8.637 1.00 15.00 H new ATOM 0 HA ILE A 66 66.690 5.882 -6.692 1.00 15.00 H new ATOM 0 HB ILE A 66 67.697 6.523 -9.521 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.323 8.020 -6.931 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.363 6.750 -7.546 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.600 8.729 -9.158 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.419 7.401 -9.066 1.00 15.00 H new ATOM 0 HG23 ILE A 66 66.010 8.170 -7.574 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.136 8.974 -8.332 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.606 7.976 -9.707 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.550 9.266 -9.083 1.00 15.00 H new ATOM 1078 N PHE A 67 64.625 5.055 -7.767 1.00 15.00 N ATOM 1079 CA PHE A 67 63.385 4.499 -8.390 1.00 15.00 C ATOM 1080 C PHE A 67 62.307 5.584 -8.461 1.00 15.00 C ATOM 1081 O PHE A 67 62.158 6.377 -7.550 1.00 15.00 O ATOM 1082 CB PHE A 67 62.946 3.366 -7.461 1.00 15.00 C ATOM 1083 CG PHE A 67 63.872 2.173 -7.486 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.928 1.344 -8.634 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.684 1.882 -6.363 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.795 0.225 -8.657 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.550 0.763 -6.386 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.606 -0.067 -7.533 1.00 15.00 C ATOM 0 H PHE A 67 64.483 5.523 -6.872 1.00 15.00 H new ATOM 0 HA PHE A 67 63.553 4.145 -9.407 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.884 3.746 -6.441 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.944 3.044 -7.743 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.309 1.566 -9.491 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.642 2.514 -5.488 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.838 -0.406 -9.532 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.169 0.542 -5.529 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.266 -0.921 -7.550 1.00 15.00 H new ATOM 1098 N ARG A 68 61.559 5.621 -9.537 1.00 15.00 N ATOM 1099 CA ARG A 68 60.486 6.652 -9.677 1.00 15.00 C ATOM 1100 C ARG A 68 59.110 6.004 -9.500 1.00 15.00 C ATOM 1101 O ARG A 68 58.928 4.833 -9.772 1.00 15.00 O ATOM 1102 CB ARG A 68 60.640 7.205 -11.096 1.00 15.00 C ATOM 1103 CG ARG A 68 61.977 7.940 -11.220 1.00 15.00 C ATOM 1104 CD ARG A 68 62.080 8.586 -12.604 1.00 15.00 C ATOM 1105 NE ARG A 68 63.484 9.095 -12.693 1.00 15.00 N ATOM 1106 CZ ARG A 68 64.502 8.283 -12.911 1.00 15.00 C ATOM 1107 NH1 ARG A 68 64.334 6.986 -13.041 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.706 8.779 -12.991 1.00 15.00 N ATOM 0 H ARG A 68 61.646 4.980 -10.325 1.00 15.00 H new ATOM 0 HA ARG A 68 60.570 7.438 -8.927 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.592 6.392 -11.821 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.818 7.884 -11.323 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.058 8.702 -10.445 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.802 7.244 -11.070 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.872 7.863 -13.393 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.359 9.396 -12.716 1.00 15.00 H new ATOM 0 HE ARG A 68 63.659 10.094 -12.583 1.00 15.00 H new ATOM 0 HH11 ARG A 68 63.399 6.584 -12.974 1.00 15.00 H new ATOM 0 HH12 ARG A 68 65.138 6.382 -13.209 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.852 9.783 -12.885 1.00 15.00 H new ATOM 0 HH22 ARG A 68 66.501 8.163 -13.159 1.00 15.00 H new ATOM 1122 N GLY A 69 58.138 6.763 -9.045 1.00 15.00 N ATOM 1123 CA GLY A 69 56.769 6.199 -8.814 1.00 15.00 C ATOM 1124 C GLY A 69 56.215 5.568 -10.103 1.00 15.00 C ATOM 1125 O GLY A 69 55.386 4.678 -10.054 1.00 15.00 O ATOM 0 H GLY A 69 58.236 7.754 -8.823 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.808 5.449 -8.024 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.099 6.988 -8.472 1.00 15.00 H new ATOM 1129 N SER A 70 56.666 6.024 -11.249 1.00 15.00 N ATOM 1130 CA SER A 70 56.137 5.479 -12.542 1.00 15.00 C ATOM 1131 C SER A 70 56.535 4.007 -12.715 1.00 15.00 C ATOM 1132 O SER A 70 55.720 3.179 -13.076 1.00 15.00 O ATOM 1133 CB SER A 70 56.777 6.335 -13.637 1.00 15.00 C ATOM 1134 OG SER A 70 56.189 6.012 -14.890 1.00 15.00 O ATOM 0 H SER A 70 57.377 6.749 -11.345 1.00 15.00 H new ATOM 0 HA SER A 70 55.048 5.517 -12.578 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.634 7.393 -13.417 1.00 15.00 H new ATOM 0 HB3 SER A 70 57.852 6.159 -13.671 1.00 15.00 H new ATOM 0 HG SER A 70 56.596 6.560 -15.593 1.00 15.00 H new ATOM 1140 N ASP A 71 57.780 3.680 -12.460 1.00 15.00 N ATOM 1141 CA ASP A 71 58.251 2.273 -12.677 1.00 15.00 C ATOM 1142 C ASP A 71 57.883 1.387 -11.478 1.00 15.00 C ATOM 1143 O ASP A 71 57.627 0.207 -11.628 1.00 15.00 O ATOM 1144 CB ASP A 71 59.777 2.366 -12.849 1.00 15.00 C ATOM 1145 CG ASP A 71 60.430 2.930 -11.580 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.647 4.128 -11.533 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.700 2.151 -10.680 1.00 15.00 O ATOM 0 H ASP A 71 58.490 4.325 -12.112 1.00 15.00 H new ATOM 0 HA ASP A 71 57.781 1.820 -13.550 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.185 1.379 -13.066 1.00 15.00 H new ATOM 0 HB3 ASP A 71 60.014 3.003 -13.701 1.00 15.00 H new ATOM 1152 N ILE A 72 57.854 1.951 -10.294 1.00 15.00 N ATOM 1153 CA ILE A 72 57.512 1.143 -9.076 1.00 15.00 C ATOM 1154 C ILE A 72 56.045 0.698 -9.142 1.00 15.00 C ATOM 1155 O ILE A 72 55.183 1.440 -9.577 1.00 15.00 O ATOM 1156 CB ILE A 72 57.747 2.075 -7.875 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.219 2.506 -7.833 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.406 1.341 -6.571 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.383 3.668 -6.852 1.00 15.00 C ATOM 0 H ILE A 72 58.052 2.936 -10.117 1.00 15.00 H new ATOM 0 HA ILE A 72 58.119 0.241 -8.998 1.00 15.00 H new ATOM 0 HB ILE A 72 57.109 2.952 -7.980 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.846 1.668 -7.528 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.549 2.806 -8.827 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.575 2.006 -5.724 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.360 1.034 -6.589 1.00 15.00 H new ATOM 0 HG23 ILE A 72 58.041 0.460 -6.472 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.429 3.974 -6.822 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.768 4.508 -7.176 1.00 15.00 H new ATOM 0 HD13 ILE A 72 59.069 3.351 -5.857 1.00 15.00 H new ATOM 1171 N LYS A 73 55.764 -0.508 -8.713 1.00 15.00 N ATOM 1172 CA LYS A 73 54.360 -1.014 -8.738 1.00 15.00 C ATOM 1173 C LYS A 73 53.738 -0.918 -7.343 1.00 15.00 C ATOM 1174 O LYS A 73 52.595 -0.526 -7.192 1.00 15.00 O ATOM 1175 CB LYS A 73 54.474 -2.474 -9.179 1.00 15.00 C ATOM 1176 CG LYS A 73 53.078 -3.029 -9.474 1.00 15.00 C ATOM 1177 CD LYS A 73 52.579 -2.471 -10.808 1.00 15.00 C ATOM 1178 CE LYS A 73 51.242 -3.125 -11.167 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.168 -3.058 -12.653 1.00 15.00 N ATOM 0 H LYS A 73 56.452 -1.165 -8.345 1.00 15.00 H new ATOM 0 HA LYS A 73 53.723 -0.436 -9.407 1.00 15.00 H new ATOM 0 HB2 LYS A 73 55.102 -2.549 -10.067 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.954 -3.064 -8.399 1.00 15.00 H new ATOM 0 HG2 LYS A 73 53.108 -4.118 -9.512 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.390 -2.757 -8.674 1.00 15.00 H new ATOM 0 HD2 LYS A 73 52.460 -1.390 -10.740 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.312 -2.663 -11.592 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.200 -4.156 -10.816 1.00 15.00 H new ATOM 0 HE3 LYS A 73 50.408 -2.597 -10.706 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 50.278 -3.488 -12.976 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 51.204 -2.064 -12.958 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 51.971 -3.575 -13.064 1.00 15.00 H new ATOM 1193 N ASP A 74 54.483 -1.275 -6.324 1.00 15.00 N ATOM 1194 CA ASP A 74 53.925 -1.246 -4.934 1.00 15.00 C ATOM 1195 C ASP A 74 55.020 -0.913 -3.916 1.00 15.00 C ATOM 1196 O ASP A 74 56.157 -1.317 -4.062 1.00 15.00 O ATOM 1197 CB ASP A 74 53.385 -2.657 -4.696 1.00 15.00 C ATOM 1198 CG ASP A 74 52.554 -2.678 -3.412 1.00 15.00 C ATOM 1199 OD1 ASP A 74 52.734 -3.595 -2.629 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.751 -1.775 -3.233 1.00 15.00 O ATOM 0 H ASP A 74 55.452 -1.585 -6.394 1.00 15.00 H new ATOM 0 HA ASP A 74 53.153 -0.485 -4.821 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.774 -2.971 -5.542 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.210 -3.365 -4.619 1.00 15.00 H new ATOM 1205 N LEU A 75 54.676 -0.177 -2.884 1.00 15.00 N ATOM 1206 CA LEU A 75 55.672 0.159 -1.818 1.00 15.00 C ATOM 1207 C LEU A 75 55.113 -0.218 -0.442 1.00 15.00 C ATOM 1208 O LEU A 75 54.012 0.164 -0.089 1.00 15.00 O ATOM 1209 CB LEU A 75 55.862 1.674 -1.923 1.00 15.00 C ATOM 1210 CG LEU A 75 57.095 2.098 -1.119 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.621 3.431 -1.657 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.713 2.264 0.355 1.00 15.00 C ATOM 0 H LEU A 75 53.743 0.207 -2.735 1.00 15.00 H new ATOM 0 HA LEU A 75 56.612 -0.380 -1.940 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.980 1.964 -2.967 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.977 2.188 -1.548 1.00 15.00 H new ATOM 0 HG LEU A 75 57.867 1.335 -1.212 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.498 3.733 -1.085 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.893 3.318 -2.706 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.847 4.192 -1.563 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.591 2.566 0.927 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.940 3.027 0.447 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.336 1.317 0.742 1.00 15.00 H new ATOM 1224 N THR A 76 55.863 -0.964 0.335 1.00 15.00 N ATOM 1225 CA THR A 76 55.380 -1.369 1.693 1.00 15.00 C ATOM 1226 C THR A 76 56.498 -1.208 2.731 1.00 15.00 C ATOM 1227 O THR A 76 57.652 -1.472 2.455 1.00 15.00 O ATOM 1228 CB THR A 76 54.990 -2.841 1.550 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.143 -2.996 0.420 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.255 -3.302 2.809 1.00 15.00 C ATOM 0 H THR A 76 56.790 -1.310 0.086 1.00 15.00 H new ATOM 0 HA THR A 76 54.546 -0.754 2.032 1.00 15.00 H new ATOM 0 HB THR A 76 55.888 -3.444 1.417 1.00 15.00 H new ATOM 0 HG1 THR A 76 53.893 -3.939 0.325 1.00 15.00 H new ATOM 0 HG21 THR A 76 53.978 -4.351 2.705 1.00 15.00 H new ATOM 0 HG22 THR A 76 54.906 -3.183 3.675 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.356 -2.701 2.946 1.00 15.00 H new