USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 158:sc= 0 (180deg=-0.499) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.665 K(o=0.66,f=0) USER MOD Single : A 27 SER OG : rot 93:sc= 0.108 USER MOD Single : A 31 ASN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc=-0.00344 (180deg=-0.0777) USER MOD Single : A 43 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.33 F(o=-1.3,f=-0.33) USER MOD Single : A 47 SER OG : rot -33:sc=0.000162 USER MOD Single : A 51 SER OG : rot 180:sc= 0.21 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.4) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 157:sc= 0 USER MOD Single : A 80 THR OG1 : rot 106:sc= 1.3 USER MOD Single : A 81 SER OG : rot 70:sc= 0.733 USER MOD Single : A 82 CYS SG : rot -23:sc= -0.402 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.810 -0.466 -5.299 1.00 0.00 N ATOM 183 CA LYS A 16 -9.910 -0.412 -6.759 1.00 0.00 C ATOM 184 C LYS A 16 -8.634 -0.924 -7.407 1.00 0.00 C ATOM 185 O LYS A 16 -7.617 -1.041 -6.732 1.00 0.00 O ATOM 186 CB LYS A 16 -10.090 1.061 -7.169 1.00 0.00 C ATOM 187 CG LYS A 16 -11.573 1.400 -7.276 1.00 0.00 C ATOM 188 CD LYS A 16 -11.756 2.915 -7.278 1.00 0.00 C ATOM 189 CE LYS A 16 -13.238 3.251 -7.111 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.425 4.685 -6.859 1.00 0.00 N ATOM 0 HA LYS A 16 -10.748 -1.030 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.613 1.711 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.598 1.243 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.989 0.973 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.118 0.959 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.178 3.363 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.380 3.336 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.784 2.961 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.655 2.675 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.439 4.889 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.922 4.953 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.047 5.230 -7.660 1.00 0.00 H new ATOM 204 N PRO A 17 -8.654 -1.238 -8.714 1.00 0.00 N ATOM 205 CA PRO A 17 -7.469 -1.697 -9.428 1.00 0.00 C ATOM 206 C PRO A 17 -6.468 -0.538 -9.502 1.00 0.00 C ATOM 207 O PRO A 17 -6.837 0.628 -9.340 1.00 0.00 O ATOM 208 CB PRO A 17 -7.963 -2.100 -10.819 1.00 0.00 C ATOM 209 CG PRO A 17 -9.164 -1.180 -11.013 1.00 0.00 C ATOM 210 CD PRO A 17 -9.784 -1.152 -9.623 1.00 0.00 C ATOM 0 HA PRO A 17 -6.968 -2.535 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.202 -1.942 -11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.245 -3.152 -10.862 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.864 -0.186 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.857 -1.569 -11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.353 -0.237 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.472 -1.985 -9.479 1.00 0.00 H new ATOM 218 N MET A 18 -5.209 -0.842 -9.814 1.00 0.00 N ATOM 219 CA MET A 18 -4.146 0.154 -9.905 1.00 0.00 C ATOM 220 C MET A 18 -3.605 0.160 -11.328 1.00 0.00 C ATOM 221 O MET A 18 -3.259 -0.893 -11.868 1.00 0.00 O ATOM 222 CB MET A 18 -3.050 -0.171 -8.878 1.00 0.00 C ATOM 223 CG MET A 18 -3.591 -0.221 -7.441 1.00 0.00 C ATOM 224 SD MET A 18 -4.127 1.356 -6.728 1.00 0.00 S ATOM 225 CE MET A 18 -2.593 1.854 -5.898 1.00 0.00 C ATOM 0 H MET A 18 -4.897 -1.793 -10.012 1.00 0.00 H new ATOM 0 HA MET A 18 -4.527 1.150 -9.677 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.596 -1.130 -9.126 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.262 0.580 -8.941 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.434 -0.911 -7.417 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.817 -0.641 -6.799 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.596 2.933 -5.745 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.521 1.351 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.739 1.577 -6.516 1.00 0.00 H new ATOM 235 N SER A 19 -3.601 1.321 -11.977 1.00 0.00 N ATOM 236 CA SER A 19 -3.087 1.459 -13.336 1.00 0.00 C ATOM 237 C SER A 19 -1.555 1.506 -13.299 1.00 0.00 C ATOM 238 O SER A 19 -0.958 1.691 -12.237 1.00 0.00 O ATOM 239 CB SER A 19 -3.670 2.730 -13.971 1.00 0.00 C ATOM 240 OG SER A 19 -5.047 2.549 -14.245 1.00 0.00 O ATOM 0 H SER A 19 -3.953 2.191 -11.577 1.00 0.00 H new ATOM 0 HA SER A 19 -3.386 0.604 -13.942 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.533 3.577 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.136 2.964 -14.892 1.00 0.00 H new ATOM 0 HG SER A 19 -5.410 3.365 -14.648 1.00 0.00 H new ATOM 246 N TYR A 20 -0.915 1.336 -14.458 1.00 0.00 N ATOM 247 CA TYR A 20 0.539 1.371 -14.624 1.00 0.00 C ATOM 248 C TYR A 20 1.082 2.693 -14.085 1.00 0.00 C ATOM 249 O TYR A 20 2.115 2.751 -13.416 1.00 0.00 O ATOM 250 CB TYR A 20 0.828 1.260 -16.126 1.00 0.00 C ATOM 251 CG TYR A 20 2.241 1.567 -16.572 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.296 0.712 -16.210 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.487 2.677 -17.405 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.585 0.914 -16.733 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.772 2.880 -17.936 1.00 0.00 C ATOM 256 CZ TYR A 20 4.820 1.987 -17.621 1.00 0.00 C ATOM 257 OH TYR A 20 6.056 2.194 -18.156 1.00 0.00 O ATOM 0 H TYR A 20 -1.410 1.165 -15.333 1.00 0.00 H new ATOM 0 HA TYR A 20 1.015 0.555 -14.080 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.583 0.247 -16.445 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.151 1.933 -16.653 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.115 -0.104 -15.526 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.690 3.369 -17.634 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.392 0.252 -16.457 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.959 3.721 -18.587 1.00 0.00 H new ATOM 0 HH TYR A 20 6.031 2.977 -18.745 1.00 0.00 H new ATOM 267 N GLU A 21 0.336 3.758 -14.363 1.00 0.00 N ATOM 268 CA GLU A 21 0.634 5.109 -13.962 1.00 0.00 C ATOM 269 C GLU A 21 0.747 5.228 -12.441 1.00 0.00 C ATOM 270 O GLU A 21 1.698 5.843 -11.953 1.00 0.00 O ATOM 271 CB GLU A 21 -0.457 6.042 -14.507 1.00 0.00 C ATOM 272 CG GLU A 21 -0.471 6.123 -16.045 1.00 0.00 C ATOM 273 CD GLU A 21 -1.520 5.221 -16.711 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.487 3.983 -16.501 1.00 0.00 O ATOM 275 OE2 GLU A 21 -2.294 5.714 -17.562 1.00 0.00 O ATOM 0 H GLU A 21 -0.529 3.688 -14.898 1.00 0.00 H new ATOM 0 HA GLU A 21 1.600 5.398 -14.375 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.430 5.696 -14.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.309 7.041 -14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.654 7.156 -16.342 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.516 5.853 -16.421 1.00 0.00 H new ATOM 282 N GLU A 22 -0.224 4.651 -11.725 1.00 0.00 N ATOM 283 CA GLU A 22 -0.326 4.654 -10.267 1.00 0.00 C ATOM 284 C GLU A 22 0.826 3.832 -9.689 1.00 0.00 C ATOM 285 O GLU A 22 1.574 4.315 -8.845 1.00 0.00 O ATOM 286 CB GLU A 22 -1.689 4.075 -9.828 1.00 0.00 C ATOM 287 CG GLU A 22 -2.934 4.775 -10.397 1.00 0.00 C ATOM 288 CD GLU A 22 -3.337 6.087 -9.710 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.477 6.867 -9.247 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.558 6.378 -9.674 1.00 0.00 O ATOM 0 H GLU A 22 -0.993 4.148 -12.168 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.260 5.676 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.724 3.024 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.743 4.110 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.762 4.979 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.775 4.084 -10.339 1.00 0.00 H new ATOM 297 N LYS A 23 1.006 2.602 -10.190 1.00 0.00 N ATOM 298 CA LYS A 23 2.058 1.678 -9.762 1.00 0.00 C ATOM 299 C LYS A 23 3.424 2.371 -9.801 1.00 0.00 C ATOM 300 O LYS A 23 4.189 2.309 -8.845 1.00 0.00 O ATOM 301 CB LYS A 23 2.046 0.441 -10.676 1.00 0.00 C ATOM 302 CG LYS A 23 0.821 -0.458 -10.468 1.00 0.00 C ATOM 303 CD LYS A 23 0.622 -1.372 -11.679 1.00 0.00 C ATOM 304 CE LYS A 23 -0.471 -2.389 -11.368 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.753 -3.324 -12.479 1.00 0.00 N ATOM 0 H LYS A 23 0.409 2.216 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 23 1.872 1.364 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.076 0.766 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.950 -0.142 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.951 -1.059 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.067 0.155 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.348 -0.782 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.554 -1.884 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.180 -2.963 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.387 -1.857 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.505 -3.984 -12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.061 -2.787 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.108 -3.859 -12.710 1.00 0.00 H new ATOM 319 N ARG A 24 3.746 3.046 -10.905 1.00 0.00 N ATOM 320 CA ARG A 24 5.025 3.739 -11.020 1.00 0.00 C ATOM 321 C ARG A 24 5.073 4.981 -10.141 1.00 0.00 C ATOM 322 O ARG A 24 6.109 5.225 -9.527 1.00 0.00 O ATOM 323 CB ARG A 24 5.291 4.098 -12.469 1.00 0.00 C ATOM 324 CG ARG A 24 5.698 2.862 -13.288 1.00 0.00 C ATOM 325 CD ARG A 24 6.244 3.287 -14.649 1.00 0.00 C ATOM 326 NE ARG A 24 5.297 4.178 -15.328 1.00 0.00 N ATOM 327 CZ ARG A 24 5.577 5.062 -16.283 1.00 0.00 C ATOM 328 NH1 ARG A 24 6.766 5.086 -16.884 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.642 5.948 -16.595 1.00 0.00 N ATOM 0 H ARG A 24 3.144 3.126 -11.724 1.00 0.00 H new ATOM 0 HA ARG A 24 5.807 3.065 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.398 4.547 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.081 4.847 -12.521 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.453 2.291 -12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.838 2.206 -13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.201 3.793 -14.521 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.429 2.406 -15.264 1.00 0.00 H new ATOM 0 HE ARG A 24 4.321 4.113 -15.038 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.487 4.417 -16.615 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.955 5.774 -17.613 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.746 5.936 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.819 6.642 -17.322 1.00 0.00 H new ATOM 343 N GLN A 25 4.010 5.791 -10.089 1.00 0.00 N ATOM 344 CA GLN A 25 3.984 6.991 -9.245 1.00 0.00 C ATOM 345 C GLN A 25 4.296 6.581 -7.798 1.00 0.00 C ATOM 346 O GLN A 25 5.044 7.279 -7.109 1.00 0.00 O ATOM 347 CB GLN A 25 2.636 7.725 -9.382 1.00 0.00 C ATOM 348 CG GLN A 25 2.409 8.865 -8.370 1.00 0.00 C ATOM 349 CD GLN A 25 3.337 10.072 -8.531 1.00 0.00 C ATOM 350 OE1 GLN A 25 2.989 11.071 -9.163 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.541 10.019 -7.977 1.00 0.00 N ATOM 0 H GLN A 25 3.154 5.637 -10.623 1.00 0.00 H new ATOM 0 HA GLN A 25 4.746 7.700 -9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.563 8.134 -10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.831 6.998 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.377 9.206 -8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.530 8.465 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.826 9.191 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.182 10.807 -8.073 1.00 0.00 H new ATOM 360 N LEU A 26 3.756 5.446 -7.353 1.00 0.00 N ATOM 361 CA LEU A 26 3.973 4.889 -6.029 1.00 0.00 C ATOM 362 C LEU A 26 5.464 4.592 -5.868 1.00 0.00 C ATOM 363 O LEU A 26 6.029 4.899 -4.821 1.00 0.00 O ATOM 364 CB LEU A 26 3.094 3.636 -5.886 1.00 0.00 C ATOM 365 CG LEU A 26 3.306 2.797 -4.619 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.119 3.644 -3.363 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.311 1.632 -4.641 1.00 0.00 C ATOM 0 H LEU A 26 3.136 4.875 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 26 3.691 5.584 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.049 3.945 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.266 2.997 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 26 4.326 2.414 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.275 3.024 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.840 4.461 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.108 4.052 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.445 1.022 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.294 2.023 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.485 1.021 -5.527 1.00 0.00 H new ATOM 379 N SER A 27 6.100 4.036 -6.902 1.00 0.00 N ATOM 380 CA SER A 27 7.519 3.715 -6.898 1.00 0.00 C ATOM 381 C SER A 27 8.355 4.967 -6.659 1.00 0.00 C ATOM 382 O SER A 27 9.285 4.915 -5.852 1.00 0.00 O ATOM 383 CB SER A 27 7.951 3.080 -8.225 1.00 0.00 C ATOM 384 OG SER A 27 9.011 2.172 -7.990 1.00 0.00 O ATOM 0 H SER A 27 5.632 3.795 -7.776 1.00 0.00 H new ATOM 0 HA SER A 27 7.684 3.002 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.109 2.562 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.269 3.853 -8.924 1.00 0.00 H new ATOM 0 HG SER A 27 8.647 1.272 -7.858 1.00 0.00 H new ATOM 390 N LEU A 28 8.061 6.080 -7.350 1.00 0.00 N ATOM 391 CA LEU A 28 8.810 7.312 -7.186 1.00 0.00 C ATOM 392 C LEU A 28 8.814 7.721 -5.727 1.00 0.00 C ATOM 393 O LEU A 28 9.895 7.948 -5.190 1.00 0.00 O ATOM 394 CB LEU A 28 8.214 8.432 -8.046 1.00 0.00 C ATOM 395 CG LEU A 28 8.769 8.512 -9.469 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.251 8.902 -9.487 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.533 7.263 -10.320 1.00 0.00 C ATOM 0 H LEU A 28 7.302 6.140 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 28 9.835 7.140 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.134 8.294 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.390 9.386 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 28 8.187 9.306 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.603 8.947 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.376 9.878 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.829 8.159 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.961 7.412 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.008 6.404 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.462 7.081 -10.410 1.00 0.00 H new ATOM 409 N ASP A 29 7.636 7.799 -5.106 1.00 0.00 N ATOM 410 CA ASP A 29 7.478 8.176 -3.705 1.00 0.00 C ATOM 411 C ASP A 29 8.246 7.192 -2.818 1.00 0.00 C ATOM 412 O ASP A 29 9.008 7.627 -1.955 1.00 0.00 O ATOM 413 CB ASP A 29 5.988 8.262 -3.335 1.00 0.00 C ATOM 414 CG ASP A 29 5.384 9.629 -3.681 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.592 10.610 -2.929 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.648 9.694 -4.691 1.00 0.00 O ATOM 0 H ASP A 29 6.751 7.598 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 29 7.900 9.168 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.439 7.480 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.869 8.073 -2.268 1.00 0.00 H new ATOM 421 N ILE A 30 8.094 5.878 -3.034 1.00 0.00 N ATOM 422 CA ILE A 30 8.783 4.827 -2.275 1.00 0.00 C ATOM 423 C ILE A 30 10.294 5.096 -2.305 1.00 0.00 C ATOM 424 O ILE A 30 10.932 5.091 -1.255 1.00 0.00 O ATOM 425 CB ILE A 30 8.402 3.425 -2.839 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.021 2.992 -2.297 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.445 2.327 -2.552 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.483 1.674 -2.871 1.00 0.00 C ATOM 0 H ILE A 30 7.476 5.509 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 30 8.469 4.837 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 30 8.369 3.537 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.086 2.899 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.301 3.783 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.105 1.382 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.399 2.605 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.570 2.216 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.510 1.455 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.380 1.763 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.177 0.866 -2.639 1.00 0.00 H new ATOM 440 N ASN A 31 10.851 5.367 -3.490 1.00 0.00 N ATOM 441 CA ASN A 31 12.273 5.632 -3.706 1.00 0.00 C ATOM 442 C ASN A 31 12.783 6.849 -2.921 1.00 0.00 C ATOM 443 O ASN A 31 13.995 6.967 -2.729 1.00 0.00 O ATOM 444 CB ASN A 31 12.571 5.814 -5.213 1.00 0.00 C ATOM 445 CG ASN A 31 12.794 4.512 -5.974 1.00 0.00 C ATOM 446 OD1 ASN A 31 13.892 4.245 -6.454 1.00 0.00 O ATOM 447 ND2 ASN A 31 11.781 3.685 -6.149 1.00 0.00 N ATOM 0 H ASN A 31 10.305 5.409 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 31 12.808 4.760 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.741 6.351 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.456 6.441 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.911 2.825 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.868 3.905 -5.751 1.00 0.00 H new ATOM 454 N LYS A 32 11.917 7.778 -2.495 1.00 0.00 N ATOM 455 CA LYS A 32 12.352 8.956 -1.738 1.00 0.00 C ATOM 456 C LYS A 32 12.627 8.620 -0.278 1.00 0.00 C ATOM 457 O LYS A 32 13.400 9.342 0.360 1.00 0.00 O ATOM 458 CB LYS A 32 11.282 10.058 -1.741 1.00 0.00 C ATOM 459 CG LYS A 32 10.807 10.422 -3.149 1.00 0.00 C ATOM 460 CD LYS A 32 9.807 11.574 -3.151 1.00 0.00 C ATOM 461 CE LYS A 32 10.476 12.914 -2.847 1.00 0.00 C ATOM 462 NZ LYS A 32 11.153 13.467 -4.031 1.00 0.00 N ATOM 0 H LYS A 32 10.912 7.735 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 32 13.262 9.299 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.428 9.730 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.683 10.948 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.668 10.692 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.349 9.548 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.316 11.626 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.030 11.381 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.727 13.622 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.199 12.785 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.595 14.376 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.885 12.803 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.458 13.614 -4.791 1.00 0.00 H new ATOM 476 N LEU A 33 11.939 7.615 0.269 1.00 0.00 N ATOM 477 CA LEU A 33 12.085 7.214 1.659 1.00 0.00 C ATOM 478 C LEU A 33 13.493 6.694 1.943 1.00 0.00 C ATOM 479 O LEU A 33 14.094 6.065 1.072 1.00 0.00 O ATOM 480 CB LEU A 33 11.087 6.098 2.016 1.00 0.00 C ATOM 481 CG LEU A 33 9.609 6.517 2.088 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.767 5.247 2.222 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.302 7.419 3.295 1.00 0.00 C ATOM 0 H LEU A 33 11.261 7.056 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 33 11.891 8.100 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.183 5.301 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.373 5.676 2.980 1.00 0.00 H new ATOM 0 HG LEU A 33 9.378 7.082 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.712 5.514 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.936 4.606 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.053 4.715 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.244 7.682 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.542 6.888 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.902 8.327 3.233 1.00 0.00 H new ATOM 495 N PRO A 34 14.003 6.908 3.166 1.00 0.00 N ATOM 496 CA PRO A 34 15.316 6.438 3.580 1.00 0.00 C ATOM 497 C PRO A 34 15.261 4.918 3.779 1.00 0.00 C ATOM 498 O PRO A 34 14.186 4.370 4.035 1.00 0.00 O ATOM 499 CB PRO A 34 15.570 7.155 4.908 1.00 0.00 C ATOM 500 CG PRO A 34 14.183 7.338 5.493 1.00 0.00 C ATOM 501 CD PRO A 34 13.369 7.648 4.245 1.00 0.00 C ATOM 0 HA PRO A 34 16.103 6.641 2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.207 6.564 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.069 8.112 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.830 6.441 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.147 8.150 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.330 7.344 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.365 8.718 4.036 1.00 0.00 H new ATOM 509 N GLY A 35 16.417 4.248 3.777 1.00 0.00 N ATOM 510 CA GLY A 35 16.526 2.797 3.945 1.00 0.00 C ATOM 511 C GLY A 35 15.772 2.293 5.176 1.00 0.00 C ATOM 512 O GLY A 35 15.018 1.322 5.096 1.00 0.00 O ATOM 0 H GLY A 35 17.319 4.708 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.137 2.301 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.577 2.522 4.029 1.00 0.00 H new ATOM 516 N GLU A 36 15.902 2.998 6.304 1.00 0.00 N ATOM 517 CA GLU A 36 15.243 2.650 7.563 1.00 0.00 C ATOM 518 C GLU A 36 13.715 2.573 7.407 1.00 0.00 C ATOM 519 O GLU A 36 13.075 1.673 7.958 1.00 0.00 O ATOM 520 CB GLU A 36 15.670 3.633 8.672 1.00 0.00 C ATOM 521 CG GLU A 36 15.537 5.118 8.296 1.00 0.00 C ATOM 522 CD GLU A 36 15.541 6.055 9.502 1.00 0.00 C ATOM 523 OE1 GLU A 36 14.569 6.035 10.287 1.00 0.00 O ATOM 524 OE2 GLU A 36 16.444 6.928 9.582 1.00 0.00 O ATOM 0 H GLU A 36 16.477 3.838 6.367 1.00 0.00 H new ATOM 0 HA GLU A 36 15.565 1.651 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.069 3.441 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.707 3.431 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.357 5.391 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.612 5.262 7.737 1.00 0.00 H new ATOM 531 N LYS A 37 13.114 3.515 6.669 1.00 0.00 N ATOM 532 CA LYS A 37 11.673 3.559 6.431 1.00 0.00 C ATOM 533 C LYS A 37 11.307 2.580 5.319 1.00 0.00 C ATOM 534 O LYS A 37 10.229 1.989 5.352 1.00 0.00 O ATOM 535 CB LYS A 37 11.233 4.995 6.102 1.00 0.00 C ATOM 536 CG LYS A 37 11.392 5.928 7.320 1.00 0.00 C ATOM 537 CD LYS A 37 11.074 7.406 7.025 1.00 0.00 C ATOM 538 CE LYS A 37 10.015 8.022 7.943 1.00 0.00 C ATOM 539 NZ LYS A 37 10.388 7.953 9.368 1.00 0.00 N ATOM 0 H LYS A 37 13.624 4.274 6.217 1.00 0.00 H new ATOM 0 HA LYS A 37 11.141 3.256 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.825 5.377 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.192 4.993 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.738 5.579 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.415 5.854 7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.993 7.986 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.737 7.493 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.858 9.064 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.067 7.506 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.769 8.581 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.281 6.976 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.377 8.253 9.483 1.00 0.00 H new ATOM 553 N LEU A 38 12.185 2.372 4.335 1.00 0.00 N ATOM 554 CA LEU A 38 11.936 1.446 3.237 1.00 0.00 C ATOM 555 C LEU A 38 11.734 0.032 3.785 1.00 0.00 C ATOM 556 O LEU A 38 10.817 -0.657 3.348 1.00 0.00 O ATOM 557 CB LEU A 38 13.073 1.508 2.211 1.00 0.00 C ATOM 558 CG LEU A 38 12.836 0.614 0.977 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.566 1.003 0.208 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.035 0.756 0.041 1.00 0.00 C ATOM 0 H LEU A 38 13.088 2.843 4.281 1.00 0.00 H new ATOM 0 HA LEU A 38 11.022 1.737 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.201 2.540 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.004 1.209 2.693 1.00 0.00 H new ATOM 0 HG LEU A 38 12.713 -0.412 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.445 0.344 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.700 0.908 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.650 2.034 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.886 0.130 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.135 1.797 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.941 0.442 0.560 1.00 0.00 H new ATOM 572 N GLY A 39 12.492 -0.374 4.811 1.00 0.00 N ATOM 573 CA GLY A 39 12.348 -1.702 5.403 1.00 0.00 C ATOM 574 C GLY A 39 11.020 -1.910 6.140 1.00 0.00 C ATOM 575 O GLY A 39 10.772 -3.002 6.648 1.00 0.00 O ATOM 0 H GLY A 39 13.212 0.203 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.438 -2.452 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.170 -1.870 6.099 1.00 0.00 H new ATOM 579 N ARG A 40 10.176 -0.881 6.276 1.00 0.00 N ATOM 580 CA ARG A 40 8.861 -0.997 6.905 1.00 0.00 C ATOM 581 C ARG A 40 7.846 -1.198 5.783 1.00 0.00 C ATOM 582 O ARG A 40 6.808 -1.810 6.011 1.00 0.00 O ATOM 583 CB ARG A 40 8.561 0.260 7.746 1.00 0.00 C ATOM 584 CG ARG A 40 7.128 0.376 8.293 1.00 0.00 C ATOM 585 CD ARG A 40 6.769 -0.720 9.299 1.00 0.00 C ATOM 586 NE ARG A 40 5.481 -0.434 9.946 1.00 0.00 N ATOM 587 CZ ARG A 40 5.292 0.136 11.143 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.321 0.509 11.897 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.052 0.342 11.579 1.00 0.00 N ATOM 0 H ARG A 40 10.390 0.061 5.949 1.00 0.00 H new ATOM 0 HA ARG A 40 8.817 -1.842 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.253 0.284 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.769 1.139 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.007 1.349 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.425 0.339 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.720 -1.683 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.551 -0.797 10.054 1.00 0.00 H new ATOM 0 HE ARG A 40 4.642 -0.697 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.275 0.363 11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.157 0.942 12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.257 0.066 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.897 0.775 12.489 1.00 0.00 H new ATOM 603 N VAL A 41 8.119 -0.701 4.570 1.00 0.00 N ATOM 604 CA VAL A 41 7.233 -0.851 3.424 1.00 0.00 C ATOM 605 C VAL A 41 7.083 -2.354 3.163 1.00 0.00 C ATOM 606 O VAL A 41 5.958 -2.842 3.117 1.00 0.00 O ATOM 607 CB VAL A 41 7.778 -0.067 2.206 1.00 0.00 C ATOM 608 CG1 VAL A 41 6.865 -0.172 0.977 1.00 0.00 C ATOM 609 CG2 VAL A 41 7.943 1.428 2.516 1.00 0.00 C ATOM 0 H VAL A 41 8.971 -0.180 4.362 1.00 0.00 H new ATOM 0 HA VAL A 41 6.248 -0.427 3.619 1.00 0.00 H new ATOM 0 HB VAL A 41 8.743 -0.525 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.297 0.397 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.768 -1.217 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.881 0.230 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.328 1.942 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.977 1.852 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.642 1.553 3.343 1.00 0.00 H new ATOM 619 N VAL A 42 8.187 -3.105 3.104 1.00 0.00 N ATOM 620 CA VAL A 42 8.215 -4.549 2.865 1.00 0.00 C ATOM 621 C VAL A 42 7.307 -5.318 3.840 1.00 0.00 C ATOM 622 O VAL A 42 6.649 -6.295 3.467 1.00 0.00 O ATOM 623 CB VAL A 42 9.687 -5.029 2.874 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.438 -4.703 4.156 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.814 -6.523 2.575 1.00 0.00 C ATOM 0 H VAL A 42 9.119 -2.708 3.226 1.00 0.00 H new ATOM 0 HA VAL A 42 7.797 -4.765 1.882 1.00 0.00 H new ATOM 0 HB VAL A 42 10.156 -4.461 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.461 -5.072 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.452 -3.623 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.940 -5.179 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.866 -6.810 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.270 -7.092 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.397 -6.734 1.590 1.00 0.00 H new ATOM 635 N HIS A 43 7.242 -4.870 5.096 1.00 0.00 N ATOM 636 CA HIS A 43 6.432 -5.495 6.134 1.00 0.00 C ATOM 637 C HIS A 43 4.934 -5.385 5.831 1.00 0.00 C ATOM 638 O HIS A 43 4.148 -6.209 6.313 1.00 0.00 O ATOM 639 CB HIS A 43 6.791 -4.890 7.496 1.00 0.00 C ATOM 640 CG HIS A 43 8.167 -5.235 8.017 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.810 -4.628 9.072 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.976 -6.254 7.590 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.957 -5.286 9.287 1.00 0.00 C ATOM 644 NE2 HIS A 43 10.105 -6.290 8.410 1.00 0.00 N ATOM 0 H HIS A 43 7.758 -4.052 5.421 1.00 0.00 H new ATOM 0 HA HIS A 43 6.656 -6.562 6.160 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.709 -3.805 7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.052 -5.218 8.227 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.775 -6.916 6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.667 -5.041 10.063 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.884 -6.946 8.354 1.00 0.00 H new ATOM 652 N ILE A 44 4.514 -4.389 5.049 1.00 0.00 N ATOM 653 CA ILE A 44 3.118 -4.215 4.679 1.00 0.00 C ATOM 654 C ILE A 44 2.766 -5.361 3.722 1.00 0.00 C ATOM 655 O ILE A 44 1.723 -5.998 3.896 1.00 0.00 O ATOM 656 CB ILE A 44 2.874 -2.829 4.033 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.285 -1.660 4.958 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.384 -2.685 3.654 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.387 -0.299 4.255 1.00 0.00 C ATOM 0 H ILE A 44 5.137 -3.683 4.657 1.00 0.00 H new ATOM 0 HA ILE A 44 2.477 -4.247 5.560 1.00 0.00 H new ATOM 0 HB ILE A 44 3.500 -2.776 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.561 -1.583 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.248 -1.894 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.217 -1.708 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.112 -3.466 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.770 -2.778 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.680 0.463 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.133 -0.354 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.420 -0.038 3.825 1.00 0.00 H new ATOM 671 N ILE A 45 3.623 -5.635 2.725 1.00 0.00 N ATOM 672 CA ILE A 45 3.393 -6.692 1.748 1.00 0.00 C ATOM 673 C ILE A 45 3.281 -8.039 2.464 1.00 0.00 C ATOM 674 O ILE A 45 2.360 -8.784 2.145 1.00 0.00 O ATOM 675 CB ILE A 45 4.445 -6.707 0.610 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.446 -5.419 -0.248 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.110 -7.863 -0.347 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.373 -4.327 0.266 1.00 0.00 C ATOM 0 H ILE A 45 4.494 -5.124 2.580 1.00 0.00 H new ATOM 0 HA ILE A 45 2.447 -6.487 1.247 1.00 0.00 H new ATOM 0 HB ILE A 45 5.418 -6.805 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.735 -5.675 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.430 -5.026 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.841 -7.889 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.138 -8.806 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.114 -7.714 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.314 -3.460 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.073 -4.039 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.398 -4.699 0.285 1.00 0.00 H new ATOM 690 N GLN A 46 4.089 -8.329 3.489 1.00 0.00 N ATOM 691 CA GLN A 46 4.013 -9.608 4.204 1.00 0.00 C ATOM 692 C GLN A 46 2.618 -9.869 4.800 1.00 0.00 C ATOM 693 O GLN A 46 2.235 -11.019 5.007 1.00 0.00 O ATOM 694 CB GLN A 46 5.066 -9.662 5.312 1.00 0.00 C ATOM 695 CG GLN A 46 6.506 -9.704 4.777 1.00 0.00 C ATOM 696 CD GLN A 46 7.497 -9.886 5.923 1.00 0.00 C ATOM 697 OE1 GLN A 46 8.528 -10.686 5.731 1.00 0.00 O flip ATOM 698 NE2 GLN A 46 7.310 -9.335 7.009 1.00 0.00 N flip ATOM 0 H GLN A 46 4.805 -7.694 3.843 1.00 0.00 H new ATOM 0 HA GLN A 46 4.208 -10.391 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.950 -8.791 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.889 -10.542 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.612 -10.522 4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.728 -8.782 4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.507 -8.720 7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.959 -9.494 7.780 1.00 0.00 H new ATOM 707 N SER A 47 1.840 -8.823 5.097 1.00 0.00 N ATOM 708 CA SER A 47 0.494 -8.963 5.645 1.00 0.00 C ATOM 709 C SER A 47 -0.506 -9.356 4.537 1.00 0.00 C ATOM 710 O SER A 47 -1.640 -9.756 4.816 1.00 0.00 O ATOM 711 CB SER A 47 0.136 -7.624 6.304 1.00 0.00 C ATOM 712 OG SER A 47 -1.035 -7.665 7.100 1.00 0.00 O ATOM 0 H SER A 47 2.130 -7.854 4.962 1.00 0.00 H new ATOM 0 HA SER A 47 0.448 -9.760 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.972 -7.302 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.007 -6.872 5.526 1.00 0.00 H new ATOM 0 HG SER A 47 -1.674 -8.297 6.709 1.00 0.00 H new ATOM 718 N ARG A 48 -0.127 -9.216 3.263 1.00 0.00 N ATOM 719 CA ARG A 48 -0.918 -9.523 2.068 1.00 0.00 C ATOM 720 C ARG A 48 -0.416 -10.776 1.363 1.00 0.00 C ATOM 721 O ARG A 48 -1.228 -11.475 0.766 1.00 0.00 O ATOM 722 CB ARG A 48 -0.869 -8.339 1.085 1.00 0.00 C ATOM 723 CG ARG A 48 -1.187 -6.960 1.689 1.00 0.00 C ATOM 724 CD ARG A 48 -2.643 -6.790 2.137 1.00 0.00 C ATOM 725 NE ARG A 48 -2.976 -7.597 3.322 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.196 -7.791 3.829 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.233 -7.137 3.327 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.353 -8.656 4.827 1.00 0.00 N ATOM 0 H ARG A 48 0.800 -8.863 3.024 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.943 -9.700 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.125 -8.300 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.573 -8.532 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.533 -6.791 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.953 -6.191 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.830 -5.739 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.305 -7.068 1.317 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.200 -8.052 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.099 -6.486 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.165 -7.285 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.547 -9.161 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.279 -8.814 5.224 1.00 0.00 H new ATOM 742 N GLU A 49 0.875 -11.072 1.454 1.00 0.00 N ATOM 743 CA GLU A 49 1.520 -12.226 0.848 1.00 0.00 C ATOM 744 C GLU A 49 1.841 -13.233 1.965 1.00 0.00 C ATOM 745 O GLU A 49 2.960 -13.241 2.489 1.00 0.00 O ATOM 746 CB GLU A 49 2.784 -11.790 0.084 1.00 0.00 C ATOM 747 CG GLU A 49 2.526 -10.844 -1.099 1.00 0.00 C ATOM 748 CD GLU A 49 1.648 -11.463 -2.197 1.00 0.00 C ATOM 749 OE1 GLU A 49 1.717 -12.699 -2.374 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.908 -10.745 -2.912 1.00 0.00 O ATOM 0 H GLU A 49 1.528 -10.487 1.976 1.00 0.00 H new ATOM 0 HA GLU A 49 0.861 -12.700 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.463 -11.300 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.294 -12.680 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.048 -9.936 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.481 -10.548 -1.532 1.00 0.00 H new ATOM 757 N PRO A 50 0.895 -14.104 2.370 1.00 0.00 N ATOM 758 CA PRO A 50 1.139 -15.082 3.431 1.00 0.00 C ATOM 759 C PRO A 50 2.284 -16.031 3.068 1.00 0.00 C ATOM 760 O PRO A 50 2.960 -16.557 3.954 1.00 0.00 O ATOM 761 CB PRO A 50 -0.188 -15.822 3.632 1.00 0.00 C ATOM 762 CG PRO A 50 -0.920 -15.631 2.307 1.00 0.00 C ATOM 763 CD PRO A 50 -0.464 -14.245 1.868 1.00 0.00 C ATOM 0 HA PRO A 50 1.456 -14.599 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.027 -16.878 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.755 -15.406 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.647 -16.396 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.002 -15.681 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.493 -14.148 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.115 -13.471 2.275 1.00 0.00 H new ATOM 771 N SER A 51 2.521 -16.247 1.778 1.00 0.00 N ATOM 772 CA SER A 51 3.563 -17.088 1.221 1.00 0.00 C ATOM 773 C SER A 51 4.954 -16.455 1.360 1.00 0.00 C ATOM 774 O SER A 51 5.944 -17.184 1.301 1.00 0.00 O ATOM 775 CB SER A 51 3.214 -17.335 -0.260 1.00 0.00 C ATOM 776 OG SER A 51 2.553 -16.208 -0.827 1.00 0.00 O ATOM 0 H SER A 51 1.952 -15.810 1.053 1.00 0.00 H new ATOM 0 HA SER A 51 3.606 -18.028 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.124 -17.546 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.576 -18.215 -0.344 1.00 0.00 H new ATOM 0 HG SER A 51 2.344 -16.390 -1.767 1.00 0.00 H new ATOM 782 N LEU A 52 5.052 -15.141 1.587 1.00 0.00 N ATOM 783 CA LEU A 52 6.318 -14.414 1.710 1.00 0.00 C ATOM 784 C LEU A 52 6.660 -13.973 3.127 1.00 0.00 C ATOM 785 O LEU A 52 7.818 -13.678 3.414 1.00 0.00 O ATOM 786 CB LEU A 52 6.274 -13.198 0.760 1.00 0.00 C ATOM 787 CG LEU A 52 6.913 -13.439 -0.617 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.360 -13.928 -0.520 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.111 -14.446 -1.452 1.00 0.00 C ATOM 0 H LEU A 52 4.234 -14.541 1.693 1.00 0.00 H new ATOM 0 HA LEU A 52 7.114 -15.106 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.235 -12.903 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.780 -12.360 1.239 1.00 0.00 H new ATOM 0 HG LEU A 52 6.905 -12.467 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.760 -14.081 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.962 -13.183 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.390 -14.868 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.597 -14.587 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.065 -15.400 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.101 -14.067 -1.607 1.00 0.00 H new ATOM 801 N LYS A 53 5.691 -13.981 4.040 1.00 0.00 N ATOM 802 CA LYS A 53 5.873 -13.566 5.426 1.00 0.00 C ATOM 803 C LYS A 53 7.081 -14.170 6.156 1.00 0.00 C ATOM 804 O LYS A 53 7.712 -13.454 6.932 1.00 0.00 O ATOM 805 CB LYS A 53 4.565 -13.842 6.184 1.00 0.00 C ATOM 806 CG LYS A 53 4.753 -13.611 7.686 1.00 0.00 C ATOM 807 CD LYS A 53 3.444 -13.598 8.456 1.00 0.00 C ATOM 808 CE LYS A 53 3.852 -13.454 9.922 1.00 0.00 C ATOM 809 NZ LYS A 53 2.705 -13.184 10.798 1.00 0.00 N ATOM 0 H LYS A 53 4.739 -14.282 3.831 1.00 0.00 H new ATOM 0 HA LYS A 53 6.108 -12.502 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.776 -13.192 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.245 -14.869 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.397 -14.392 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.267 -12.662 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.808 -12.771 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.879 -14.516 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.349 -14.367 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.577 -12.645 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.032 -13.095 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.245 -12.299 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.024 -13.967 10.730 1.00 0.00 H new ATOM 823 N ASN A 54 7.392 -15.454 5.981 1.00 0.00 N ATOM 824 CA ASN A 54 8.517 -16.082 6.691 1.00 0.00 C ATOM 825 C ASN A 54 9.882 -15.615 6.185 1.00 0.00 C ATOM 826 O ASN A 54 10.883 -15.845 6.864 1.00 0.00 O ATOM 827 CB ASN A 54 8.421 -17.619 6.673 1.00 0.00 C ATOM 828 CG ASN A 54 7.380 -18.156 7.648 1.00 0.00 C ATOM 829 OD1 ASN A 54 7.668 -18.949 8.541 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.129 -17.755 7.508 1.00 0.00 N ATOM 0 H ASN A 54 6.885 -16.082 5.357 1.00 0.00 H new ATOM 0 HA ASN A 54 8.435 -15.749 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.174 -17.951 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.395 -18.042 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.408 -18.104 8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.884 -17.097 6.768 1.00 0.00 H new ATOM 837 N SER A 55 9.952 -14.956 5.028 1.00 0.00 N ATOM 838 CA SER A 55 11.222 -14.491 4.497 1.00 0.00 C ATOM 839 C SER A 55 11.760 -13.266 5.237 1.00 0.00 C ATOM 840 O SER A 55 11.090 -12.668 6.088 1.00 0.00 O ATOM 841 CB SER A 55 11.077 -14.206 2.998 1.00 0.00 C ATOM 842 OG SER A 55 10.785 -15.406 2.319 1.00 0.00 O ATOM 0 H SER A 55 9.144 -14.735 4.446 1.00 0.00 H new ATOM 0 HA SER A 55 11.955 -15.283 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.283 -13.478 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.997 -13.770 2.609 1.00 0.00 H new ATOM 0 HG SER A 55 10.690 -15.225 1.361 1.00 0.00 H new ATOM 848 N ASN A 56 13.018 -12.940 4.947 1.00 0.00 N ATOM 849 CA ASN A 56 13.709 -11.785 5.503 1.00 0.00 C ATOM 850 C ASN A 56 13.222 -10.583 4.689 1.00 0.00 C ATOM 851 O ASN A 56 12.996 -10.746 3.489 1.00 0.00 O ATOM 852 CB ASN A 56 15.238 -11.930 5.319 1.00 0.00 C ATOM 853 CG ASN A 56 15.986 -12.081 6.632 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.491 -12.724 7.551 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.195 -11.570 6.749 1.00 0.00 N ATOM 0 H ASN A 56 13.595 -13.484 4.306 1.00 0.00 H new ATOM 0 HA ASN A 56 13.507 -11.680 6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.441 -12.797 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.618 -11.056 4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.726 -11.708 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.600 -11.036 5.980 1.00 0.00 H new ATOM 862 N PRO A 57 13.103 -9.378 5.264 1.00 0.00 N ATOM 863 CA PRO A 57 12.667 -8.197 4.519 1.00 0.00 C ATOM 864 C PRO A 57 13.651 -7.910 3.377 1.00 0.00 C ATOM 865 O PRO A 57 13.249 -7.567 2.267 1.00 0.00 O ATOM 866 CB PRO A 57 12.602 -7.064 5.547 1.00 0.00 C ATOM 867 CG PRO A 57 13.487 -7.548 6.687 1.00 0.00 C ATOM 868 CD PRO A 57 13.345 -9.059 6.655 1.00 0.00 C ATOM 0 HA PRO A 57 11.694 -8.327 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.967 -6.125 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.580 -6.888 5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.523 -7.243 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.163 -7.138 7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.247 -9.549 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.521 -9.392 7.286 1.00 0.00 H new ATOM 876 N ASP A 58 14.943 -8.118 3.633 1.00 0.00 N ATOM 877 CA ASP A 58 16.024 -7.921 2.677 1.00 0.00 C ATOM 878 C ASP A 58 15.941 -8.958 1.545 1.00 0.00 C ATOM 879 O ASP A 58 16.454 -8.730 0.453 1.00 0.00 O ATOM 880 CB ASP A 58 17.372 -8.115 3.396 1.00 0.00 C ATOM 881 CG ASP A 58 17.777 -6.992 4.355 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.063 -6.735 5.355 1.00 0.00 O ATOM 883 OD2 ASP A 58 18.874 -6.422 4.167 1.00 0.00 O ATOM 0 H ASP A 58 15.273 -8.439 4.543 1.00 0.00 H new ATOM 0 HA ASP A 58 15.939 -6.917 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.334 -9.050 3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.153 -8.225 2.643 1.00 0.00 H new ATOM 888 N GLU A 59 15.325 -10.118 1.784 1.00 0.00 N ATOM 889 CA GLU A 59 15.192 -11.202 0.811 1.00 0.00 C ATOM 890 C GLU A 59 13.909 -11.092 -0.016 1.00 0.00 C ATOM 891 O GLU A 59 13.677 -11.919 -0.899 1.00 0.00 O ATOM 892 CB GLU A 59 15.266 -12.558 1.523 1.00 0.00 C ATOM 893 CG GLU A 59 16.623 -12.807 2.192 1.00 0.00 C ATOM 894 CD GLU A 59 17.776 -12.917 1.184 1.00 0.00 C ATOM 895 OE1 GLU A 59 18.043 -14.042 0.721 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.380 -11.866 0.874 1.00 0.00 O ATOM 0 H GLU A 59 14.894 -10.334 2.683 1.00 0.00 H new ATOM 0 HA GLU A 59 16.023 -11.117 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.480 -12.611 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.071 -13.352 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.833 -11.996 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.571 -13.725 2.778 1.00 0.00 H new ATOM 903 N ILE A 60 13.070 -10.096 0.254 1.00 0.00 N ATOM 904 CA ILE A 60 11.824 -9.857 -0.461 1.00 0.00 C ATOM 905 C ILE A 60 12.097 -8.722 -1.454 1.00 0.00 C ATOM 906 O ILE A 60 12.982 -7.894 -1.219 1.00 0.00 O ATOM 907 CB ILE A 60 10.722 -9.543 0.576 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.363 -10.817 1.373 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.450 -8.980 -0.073 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.659 -10.526 2.701 1.00 0.00 C ATOM 0 H ILE A 60 13.244 -9.417 0.995 1.00 0.00 H new ATOM 0 HA ILE A 60 11.470 -10.718 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 60 11.124 -8.780 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.721 -11.450 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.274 -11.382 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.707 -8.776 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.689 -8.056 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.049 -9.707 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.436 -11.465 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.308 -9.918 3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.731 -9.987 2.510 1.00 0.00 H new ATOM 922 N GLU A 61 11.345 -8.666 -2.550 1.00 0.00 N ATOM 923 CA GLU A 61 11.455 -7.654 -3.596 1.00 0.00 C ATOM 924 C GLU A 61 10.080 -7.021 -3.794 1.00 0.00 C ATOM 925 O GLU A 61 9.057 -7.647 -3.490 1.00 0.00 O ATOM 926 CB GLU A 61 11.901 -8.304 -4.917 1.00 0.00 C ATOM 927 CG GLU A 61 13.291 -8.950 -4.894 1.00 0.00 C ATOM 928 CD GLU A 61 14.431 -7.932 -4.942 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.501 -7.051 -4.053 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.274 -8.034 -5.859 1.00 0.00 O ATOM 0 H GLU A 61 10.614 -9.351 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 61 12.190 -6.903 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.170 -9.064 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.884 -7.546 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.389 -9.553 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.383 -9.629 -5.742 1.00 0.00 H new ATOM 937 N ILE A 62 10.051 -5.778 -4.268 1.00 0.00 N ATOM 938 CA ILE A 62 8.831 -5.039 -4.543 1.00 0.00 C ATOM 939 C ILE A 62 8.572 -5.266 -6.035 1.00 0.00 C ATOM 940 O ILE A 62 9.445 -5.025 -6.873 1.00 0.00 O ATOM 941 CB ILE A 62 8.957 -3.535 -4.200 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.635 -3.247 -2.841 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.537 -2.940 -4.199 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.752 -1.745 -2.539 1.00 0.00 C ATOM 0 H ILE A 62 10.898 -5.248 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 62 8.004 -5.385 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 62 9.602 -3.080 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.065 -3.729 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.630 -3.692 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.588 -1.878 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.088 -3.070 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.929 -3.451 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.236 -1.605 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.346 -1.263 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.757 -1.300 -2.515 1.00 0.00 H new ATOM 956 N ASP A 63 7.375 -5.738 -6.369 1.00 0.00 N ATOM 957 CA ASP A 63 6.954 -6.026 -7.731 1.00 0.00 C ATOM 958 C ASP A 63 5.553 -5.463 -7.875 1.00 0.00 C ATOM 959 O ASP A 63 4.710 -5.785 -7.046 1.00 0.00 O ATOM 960 CB ASP A 63 6.966 -7.542 -7.920 1.00 0.00 C ATOM 961 CG ASP A 63 7.207 -7.850 -9.378 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.277 -7.721 -10.204 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.372 -8.188 -9.694 1.00 0.00 O ATOM 0 H ASP A 63 6.652 -5.936 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 63 7.609 -5.584 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.745 -7.992 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.017 -7.970 -7.596 1.00 0.00 H new ATOM 968 N PHE A 64 5.254 -4.577 -8.823 1.00 0.00 N ATOM 969 CA PHE A 64 3.884 -4.049 -8.894 1.00 0.00 C ATOM 970 C PHE A 64 3.007 -4.887 -9.807 1.00 0.00 C ATOM 971 O PHE A 64 1.801 -4.655 -9.915 1.00 0.00 O ATOM 972 CB PHE A 64 3.871 -2.620 -9.433 1.00 0.00 C ATOM 973 CG PHE A 64 4.708 -1.615 -8.682 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.358 -1.265 -7.368 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.806 -0.997 -9.304 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.113 -0.319 -6.659 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.560 -0.048 -8.598 1.00 0.00 C ATOM 978 CZ PHE A 64 6.220 0.283 -7.271 1.00 0.00 C ATOM 0 H PHE A 64 5.903 -4.220 -9.524 1.00 0.00 H new ATOM 0 HA PHE A 64 3.495 -4.076 -7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.210 -2.642 -10.469 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.840 -2.267 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.502 -1.727 -6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.068 -1.251 -10.320 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.842 -0.056 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.404 0.431 -9.073 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.814 1.002 -6.725 1.00 0.00 H new ATOM 988 N GLU A 65 3.619 -5.852 -10.478 1.00 0.00 N ATOM 989 CA GLU A 65 2.948 -6.712 -11.412 1.00 0.00 C ATOM 990 C GLU A 65 2.358 -7.929 -10.709 1.00 0.00 C ATOM 991 O GLU A 65 1.257 -8.353 -11.060 1.00 0.00 O ATOM 992 CB GLU A 65 3.948 -7.073 -12.518 1.00 0.00 C ATOM 993 CG GLU A 65 4.784 -5.882 -13.029 1.00 0.00 C ATOM 994 CD GLU A 65 3.928 -4.706 -13.513 1.00 0.00 C ATOM 995 OE1 GLU A 65 2.917 -4.921 -14.223 1.00 0.00 O ATOM 996 OE2 GLU A 65 4.268 -3.524 -13.284 1.00 0.00 O ATOM 0 H GLU A 65 4.614 -6.054 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 65 2.096 -6.206 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.623 -7.843 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.404 -7.507 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.442 -5.539 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.422 -6.219 -13.846 1.00 0.00 H new ATOM 1003 N THR A 66 3.033 -8.457 -9.683 1.00 0.00 N ATOM 1004 CA THR A 66 2.545 -9.628 -8.961 1.00 0.00 C ATOM 1005 C THR A 66 1.772 -9.237 -7.695 1.00 0.00 C ATOM 1006 O THR A 66 1.069 -10.070 -7.113 1.00 0.00 O ATOM 1007 CB THR A 66 3.700 -10.608 -8.681 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.559 -10.177 -7.643 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.576 -10.864 -9.908 1.00 0.00 C ATOM 0 H THR A 66 3.919 -8.089 -9.336 1.00 0.00 H new ATOM 0 HA THR A 66 1.827 -10.149 -9.595 1.00 0.00 H new ATOM 0 HB THR A 66 3.190 -11.525 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.269 -10.839 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.372 -11.562 -9.648 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.968 -11.288 -10.707 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.014 -9.924 -10.245 1.00 0.00 H new ATOM 1017 N LEU A 67 1.869 -7.978 -7.251 1.00 0.00 N ATOM 1018 CA LEU A 67 1.171 -7.530 -6.053 1.00 0.00 C ATOM 1019 C LEU A 67 -0.249 -7.095 -6.384 1.00 0.00 C ATOM 1020 O LEU A 67 -0.534 -6.514 -7.435 1.00 0.00 O ATOM 1021 CB LEU A 67 1.958 -6.419 -5.352 1.00 0.00 C ATOM 1022 CG LEU A 67 3.251 -6.930 -4.692 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.960 -5.749 -4.026 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.034 -8.051 -3.667 1.00 0.00 C ATOM 0 H LEU A 67 2.426 -7.256 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 67 1.100 -8.368 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.207 -5.644 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.327 -5.956 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 67 3.859 -7.368 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.879 -6.096 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.200 -4.998 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.307 -5.311 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.994 -8.353 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.387 -7.692 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.566 -8.905 -4.156 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.157 -7.395 -5.454 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.574 -7.078 -5.570 1.00 0.00 C ATOM 1038 C LYS A 68 -2.749 -5.572 -5.422 1.00 0.00 C ATOM 1039 O LYS A 68 -1.947 -4.924 -4.747 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.387 -7.809 -4.482 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.636 -9.295 -4.783 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.362 -10.134 -4.634 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.589 -11.643 -4.734 1.00 0.00 C ATOM 1044 NZ LYS A 68 -3.030 -12.076 -6.076 1.00 0.00 N ATOM 0 H LYS A 68 -0.920 -7.874 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.939 -7.406 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.861 -7.724 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.347 -7.307 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.403 -9.678 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.022 -9.399 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.651 -9.833 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.904 -9.910 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.665 -12.161 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.336 -11.941 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.167 -13.107 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.927 -11.607 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.307 -11.820 -6.778 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.845 -5.001 -5.940 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.078 -3.574 -5.823 1.00 0.00 C ATOM 1060 C PRO A 69 -4.291 -3.169 -4.369 1.00 0.00 C ATOM 1061 O PRO A 69 -3.916 -2.069 -3.974 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.347 -3.313 -6.625 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.072 -4.653 -6.604 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.895 -5.617 -6.739 1.00 0.00 C ATOM 0 HA PRO A 69 -3.226 -3.000 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.950 -2.525 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.119 -2.997 -7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.629 -4.807 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.783 -4.751 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.148 -6.611 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.590 -5.732 -7.779 1.00 0.00 H new ATOM 1072 N SER A 70 -4.880 -4.057 -3.556 1.00 0.00 N ATOM 1073 CA SER A 70 -5.129 -3.752 -2.157 1.00 0.00 C ATOM 1074 C SER A 70 -3.794 -3.547 -1.426 1.00 0.00 C ATOM 1075 O SER A 70 -3.734 -2.787 -0.461 1.00 0.00 O ATOM 1076 CB SER A 70 -5.995 -4.857 -1.531 1.00 0.00 C ATOM 1077 OG SER A 70 -7.057 -4.317 -0.759 1.00 0.00 O ATOM 0 H SER A 70 -5.188 -4.984 -3.849 1.00 0.00 H new ATOM 0 HA SER A 70 -5.688 -2.821 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.403 -5.490 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.374 -5.493 -0.901 1.00 0.00 H new ATOM 0 HG SER A 70 -7.588 -5.047 -0.377 1.00 0.00 H new ATOM 1083 N THR A 71 -2.727 -4.210 -1.885 1.00 0.00 N ATOM 1084 CA THR A 71 -1.409 -4.086 -1.297 1.00 0.00 C ATOM 1085 C THR A 71 -0.896 -2.685 -1.614 1.00 0.00 C ATOM 1086 O THR A 71 -0.560 -1.936 -0.703 1.00 0.00 O ATOM 1087 CB THR A 71 -0.479 -5.177 -1.866 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.094 -6.448 -1.744 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.879 -5.196 -1.167 1.00 0.00 C ATOM 0 H THR A 71 -2.764 -4.849 -2.680 1.00 0.00 H new ATOM 0 HA THR A 71 -1.441 -4.224 -0.216 1.00 0.00 H new ATOM 0 HB THR A 71 -0.309 -4.944 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.499 -7.136 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.500 -5.980 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.369 -4.231 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.738 -5.391 -0.104 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.900 -2.310 -2.897 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.417 -1.020 -3.362 1.00 0.00 C ATOM 1099 C LEU A 72 -1.158 0.139 -2.717 1.00 0.00 C ATOM 1100 O LEU A 72 -0.523 1.121 -2.348 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.490 -0.933 -4.887 1.00 0.00 C ATOM 1102 CG LEU A 72 0.149 -2.109 -5.647 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.204 -1.793 -7.138 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.547 -2.458 -5.142 1.00 0.00 C ATOM 0 H LEU A 72 -1.245 -2.908 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 72 0.627 -0.939 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.537 -0.859 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.004 -0.010 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.481 -2.980 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.657 -2.629 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.806 -1.629 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.800 -0.895 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.943 -3.294 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.202 -1.595 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.495 -2.735 -4.089 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.482 0.044 -2.543 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.256 1.114 -1.911 1.00 0.00 C ATOM 1118 C ARG A 73 -2.716 1.350 -0.493 1.00 0.00 C ATOM 1119 O ARG A 73 -2.629 2.501 -0.066 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.754 0.752 -1.944 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.740 1.875 -1.561 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.960 2.964 -2.632 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.195 3.717 -2.338 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.697 4.825 -2.900 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.103 5.427 -3.916 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.833 5.325 -2.428 1.00 0.00 N ATOM 0 H ARG A 73 -3.037 -0.762 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.150 2.053 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.000 0.409 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.917 -0.090 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.703 1.423 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.381 2.354 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.107 3.642 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.029 2.507 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.760 3.330 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.235 5.049 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.513 6.269 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.308 4.866 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.231 6.168 -2.843 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.313 0.295 0.227 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.770 0.432 1.580 1.00 0.00 C ATOM 1142 C GLU A 74 -0.347 1.004 1.560 1.00 0.00 C ATOM 1143 O GLU A 74 0.061 1.624 2.547 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.804 -0.908 2.341 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.138 -1.174 3.053 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.526 -0.058 4.035 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.667 0.344 4.855 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.676 0.436 3.928 1.00 0.00 O ATOM 0 H GLU A 74 -2.354 -0.667 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.410 1.138 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.607 -1.720 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.000 -0.919 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.926 -1.285 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.074 -2.119 3.592 1.00 0.00 H new ATOM 1155 N LEU A 75 0.420 0.795 0.483 1.00 0.00 N ATOM 1156 CA LEU A 75 1.778 1.331 0.366 1.00 0.00 C ATOM 1157 C LEU A 75 1.638 2.822 0.076 1.00 0.00 C ATOM 1158 O LEU A 75 2.258 3.638 0.759 1.00 0.00 O ATOM 1159 CB LEU A 75 2.604 0.655 -0.737 1.00 0.00 C ATOM 1160 CG LEU A 75 2.717 -0.876 -0.677 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.731 -1.349 -1.712 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.102 -1.427 0.696 1.00 0.00 C ATOM 0 H LEU A 75 0.118 0.253 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 75 2.316 1.139 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.172 0.926 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.611 1.071 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 75 1.720 -1.261 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.813 -2.435 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.403 -1.047 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.703 -0.904 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.159 -2.514 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.071 -1.025 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.350 -1.135 1.429 1.00 0.00 H new ATOM 1174 N GLU A 76 0.775 3.179 -0.887 1.00 0.00 N ATOM 1175 CA GLU A 76 0.489 4.555 -1.269 1.00 0.00 C ATOM 1176 C GLU A 76 0.087 5.337 -0.020 1.00 0.00 C ATOM 1177 O GLU A 76 0.457 6.502 0.129 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.605 4.610 -2.354 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.929 6.077 -2.664 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.863 6.270 -3.855 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -1.394 6.213 -5.016 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -3.065 6.543 -3.624 1.00 0.00 O ATOM 0 H GLU A 76 0.248 2.496 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 76 1.380 5.011 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.266 4.101 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.500 4.091 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.382 6.532 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.002 6.611 -2.855 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.674 4.704 0.873 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.119 5.294 2.112 1.00 0.00 C ATOM 1191 C ARG A 77 0.094 5.721 2.929 1.00 0.00 C ATOM 1192 O ARG A 77 0.199 6.906 3.222 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.016 4.295 2.860 1.00 0.00 C ATOM 1194 CG ARG A 77 -2.865 5.031 3.887 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.793 4.058 4.617 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.615 4.793 5.587 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.639 4.645 6.914 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -3.927 3.702 7.514 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.382 5.464 7.651 1.00 0.00 N ATOM 0 H ARG A 77 -0.999 3.746 0.742 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.716 6.186 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.658 3.770 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.403 3.542 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.219 5.535 4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.455 5.803 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.432 3.543 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.206 3.294 5.127 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.241 5.500 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.346 3.072 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.960 3.606 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.929 6.199 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.406 5.357 8.665 1.00 0.00 H new ATOM 1213 N TYR A 78 0.975 4.777 3.265 1.00 0.00 N ATOM 1214 CA TYR A 78 2.184 4.972 4.054 1.00 0.00 C ATOM 1215 C TYR A 78 3.081 6.066 3.479 1.00 0.00 C ATOM 1216 O TYR A 78 3.417 7.010 4.197 1.00 0.00 O ATOM 1217 CB TYR A 78 2.933 3.635 4.169 1.00 0.00 C ATOM 1218 CG TYR A 78 4.254 3.699 4.921 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.282 3.734 6.331 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.465 3.705 4.202 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.507 3.766 7.025 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.691 3.740 4.888 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.718 3.766 6.298 1.00 0.00 C ATOM 1224 OH TYR A 78 7.918 3.932 6.918 1.00 0.00 O ATOM 0 H TYR A 78 0.854 3.806 2.977 1.00 0.00 H new ATOM 0 HA TYR A 78 1.895 5.311 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.284 2.914 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.122 3.254 3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.354 3.736 6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.451 3.683 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.520 3.790 8.105 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.617 3.747 4.333 1.00 0.00 H new ATOM 0 HH TYR A 78 8.629 3.549 6.363 1.00 0.00 H new ATOM 1234 N VAL A 79 3.463 5.979 2.199 1.00 0.00 N ATOM 1235 CA VAL A 79 4.336 6.991 1.609 1.00 0.00 C ATOM 1236 C VAL A 79 3.682 8.373 1.688 1.00 0.00 C ATOM 1237 O VAL A 79 4.319 9.340 2.099 1.00 0.00 O ATOM 1238 CB VAL A 79 4.793 6.598 0.188 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.455 5.217 0.163 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.689 6.606 -0.873 1.00 0.00 C ATOM 0 H VAL A 79 3.185 5.230 1.564 1.00 0.00 H new ATOM 0 HA VAL A 79 5.254 7.047 2.195 1.00 0.00 H new ATOM 0 HB VAL A 79 5.506 7.381 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.762 4.979 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.329 5.221 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.746 4.467 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.108 6.317 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.908 5.900 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.264 7.607 -0.948 1.00 0.00 H new ATOM 1250 N THR A 80 2.399 8.478 1.357 1.00 0.00 N ATOM 1251 CA THR A 80 1.690 9.753 1.397 1.00 0.00 C ATOM 1252 C THR A 80 1.539 10.242 2.838 1.00 0.00 C ATOM 1253 O THR A 80 1.473 11.446 3.044 1.00 0.00 O ATOM 1254 CB THR A 80 0.355 9.573 0.680 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.582 9.017 -0.603 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.395 10.885 0.494 1.00 0.00 C ATOM 0 H THR A 80 1.826 7.690 1.056 1.00 0.00 H new ATOM 0 HA THR A 80 2.254 10.530 0.882 1.00 0.00 H new ATOM 0 HB THR A 80 -0.252 8.917 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.311 8.075 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.337 10.696 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.597 11.330 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.212 11.570 -0.098 1.00 0.00 H new ATOM 1264 N SER A 81 1.517 9.366 3.841 1.00 0.00 N ATOM 1265 CA SER A 81 1.378 9.808 5.219 1.00 0.00 C ATOM 1266 C SER A 81 2.653 10.513 5.689 1.00 0.00 C ATOM 1267 O SER A 81 2.571 11.402 6.534 1.00 0.00 O ATOM 1268 CB SER A 81 1.032 8.623 6.129 1.00 0.00 C ATOM 1269 OG SER A 81 -0.244 8.083 5.830 1.00 0.00 O ATOM 0 H SER A 81 1.593 8.356 3.723 1.00 0.00 H new ATOM 0 HA SER A 81 0.559 10.526 5.274 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.790 7.847 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.055 8.946 7.170 1.00 0.00 H new ATOM 0 HG SER A 81 -0.214 7.637 4.958 1.00 0.00 H new ATOM 1275 N CYS A 82 3.821 10.115 5.178 1.00 0.00 N ATOM 1276 CA CYS A 82 5.100 10.701 5.549 1.00 0.00 C ATOM 1277 C CYS A 82 5.530 11.828 4.610 1.00 0.00 C ATOM 1278 O CYS A 82 5.764 12.962 5.027 1.00 0.00 O ATOM 1279 CB CYS A 82 6.147 9.582 5.596 1.00 0.00 C ATOM 1280 SG CYS A 82 7.685 10.179 6.355 1.00 0.00 S ATOM 0 H CYS A 82 3.900 9.368 4.488 1.00 0.00 H new ATOM 0 HA CYS A 82 5.000 11.164 6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.759 8.737 6.164 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.349 9.222 4.587 1.00 0.00 H new ATOM 0 HG CYS A 82 7.748 11.473 6.247 1.00 0.00 H new ATOM 1286 N LEU A 83 5.691 11.492 3.331 1.00 0.00 N ATOM 1287 CA LEU A 83 6.145 12.388 2.280 1.00 0.00 C ATOM 1288 C LEU A 83 5.149 13.517 2.060 1.00 0.00 C ATOM 1289 O LEU A 83 5.504 14.695 2.146 1.00 0.00 O ATOM 1290 CB LEU A 83 6.355 11.599 0.970 1.00 0.00 C ATOM 1291 CG LEU A 83 7.159 10.288 1.084 1.00 0.00 C ATOM 1292 CD1 LEU A 83 7.092 9.566 -0.251 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.627 10.504 1.443 1.00 0.00 C ATOM 0 H LEU A 83 5.500 10.550 2.990 1.00 0.00 H new ATOM 0 HA LEU A 83 7.093 12.828 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.376 11.365 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.860 12.249 0.256 1.00 0.00 H new ATOM 0 HG LEU A 83 6.713 9.707 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.656 8.635 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.052 9.345 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.520 10.199 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.132 9.540 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.104 11.113 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.695 11.013 2.404 1.00 0.00 H new