USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 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 169:sc= 0 (180deg=-0.25) 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= 0.876 K(o=0.88,f=-0.03) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.466 K(o=0.47,f=-0.082) USER MOD Single : A 47 SER OG : rot 33:sc= 0.803 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.78) USER MOD Single : A 66 THR OG1 : rot -124:sc= 1.11 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc=-0.00154 (180deg=-0.084) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00526 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 172:sc= 0.469 USER MOD Single : A 80 THR OG1 : rot 81:sc= 0.566 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.633 0.302 -5.192 1.00 0.00 N ATOM 183 CA LYS A 16 -9.845 0.456 -6.633 1.00 0.00 C ATOM 184 C LYS A 16 -8.694 -0.225 -7.392 1.00 0.00 C ATOM 185 O LYS A 16 -7.609 -0.424 -6.830 1.00 0.00 O ATOM 186 CB LYS A 16 -9.981 1.955 -6.993 1.00 0.00 C ATOM 187 CG LYS A 16 -11.397 2.412 -7.391 1.00 0.00 C ATOM 188 CD LYS A 16 -12.554 2.013 -6.466 1.00 0.00 C ATOM 189 CE LYS A 16 -12.486 2.666 -5.079 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.670 2.335 -4.256 1.00 0.00 N ATOM 0 HA LYS A 16 -10.775 -0.029 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.653 2.548 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.301 2.177 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.390 3.499 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.610 2.020 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.497 2.284 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.557 0.929 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.583 2.335 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.412 3.748 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.586 2.795 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.530 2.673 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.727 1.304 -4.128 1.00 0.00 H new ATOM 204 N PRO A 17 -8.897 -0.609 -8.663 1.00 0.00 N ATOM 205 CA PRO A 17 -7.888 -1.265 -9.488 1.00 0.00 C ATOM 206 C PRO A 17 -6.829 -0.246 -9.923 1.00 0.00 C ATOM 207 O PRO A 17 -7.137 0.743 -10.584 1.00 0.00 O ATOM 208 CB PRO A 17 -8.659 -1.850 -10.671 1.00 0.00 C ATOM 209 CG PRO A 17 -9.858 -0.907 -10.813 1.00 0.00 C ATOM 210 CD PRO A 17 -10.135 -0.430 -9.402 1.00 0.00 C ATOM 0 HA PRO A 17 -7.346 -2.050 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.053 -1.868 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.975 -2.875 -10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.630 -0.073 -11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.721 -1.423 -11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.443 0.616 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.945 -1.002 -8.949 1.00 0.00 H new ATOM 218 N MET A 18 -5.579 -0.522 -9.565 1.00 0.00 N ATOM 219 CA MET A 18 -4.404 0.298 -9.832 1.00 0.00 C ATOM 220 C MET A 18 -3.880 0.146 -11.262 1.00 0.00 C ATOM 221 O MET A 18 -3.554 -0.961 -11.711 1.00 0.00 O ATOM 222 CB MET A 18 -3.285 -0.110 -8.854 1.00 0.00 C ATOM 223 CG MET A 18 -3.679 0.011 -7.371 1.00 0.00 C ATOM 224 SD MET A 18 -4.024 1.673 -6.740 1.00 0.00 S ATOM 225 CE MET A 18 -2.554 1.962 -5.709 1.00 0.00 C ATOM 0 H MET A 18 -5.347 -1.372 -9.052 1.00 0.00 H new ATOM 0 HA MET A 18 -4.699 1.339 -9.701 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.994 -1.140 -9.060 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.409 0.512 -9.039 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.564 -0.604 -7.205 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.876 -0.418 -6.772 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.520 3.009 -5.409 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.603 1.332 -4.821 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.657 1.718 -6.278 1.00 0.00 H new ATOM 235 N SER A 19 -3.799 1.250 -11.995 1.00 0.00 N ATOM 236 CA SER A 19 -3.270 1.283 -13.351 1.00 0.00 C ATOM 237 C SER A 19 -1.737 1.223 -13.279 1.00 0.00 C ATOM 238 O SER A 19 -1.127 1.335 -12.214 1.00 0.00 O ATOM 239 CB SER A 19 -3.725 2.562 -14.065 1.00 0.00 C ATOM 240 OG SER A 19 -4.960 2.328 -14.708 1.00 0.00 O ATOM 0 H SER A 19 -4.105 2.163 -11.657 1.00 0.00 H new ATOM 0 HA SER A 19 -3.644 0.430 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.825 3.376 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.976 2.870 -14.794 1.00 0.00 H new ATOM 0 HG SER A 19 -5.252 3.145 -15.163 1.00 0.00 H new ATOM 246 N TYR A 20 -1.102 1.051 -14.436 1.00 0.00 N ATOM 247 CA TYR A 20 0.348 0.980 -14.562 1.00 0.00 C ATOM 248 C TYR A 20 1.003 2.275 -14.063 1.00 0.00 C ATOM 249 O TYR A 20 2.031 2.236 -13.392 1.00 0.00 O ATOM 250 CB TYR A 20 0.653 0.709 -16.037 1.00 0.00 C ATOM 251 CG TYR A 20 2.104 0.794 -16.460 1.00 0.00 C ATOM 252 CD1 TYR A 20 2.614 2.013 -16.942 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.915 -0.355 -16.461 1.00 0.00 C ATOM 254 CE1 TYR A 20 3.914 2.075 -17.467 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.213 -0.296 -16.999 1.00 0.00 C ATOM 256 CZ TYR A 20 4.711 0.913 -17.525 1.00 0.00 C ATOM 257 OH TYR A 20 5.945 0.953 -18.097 1.00 0.00 O ATOM 0 H TYR A 20 -1.591 0.956 -15.326 1.00 0.00 H new ATOM 0 HA TYR A 20 0.760 0.181 -13.945 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.285 -0.287 -16.283 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.082 1.417 -16.638 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.004 2.903 -16.908 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.542 -1.281 -16.049 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.305 3.015 -17.828 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.831 -1.181 -17.009 1.00 0.00 H new ATOM 0 HH TYR A 20 6.356 0.065 -18.050 1.00 0.00 H new ATOM 267 N GLU A 21 0.393 3.430 -14.341 1.00 0.00 N ATOM 268 CA GLU A 21 0.925 4.725 -13.921 1.00 0.00 C ATOM 269 C GLU A 21 0.840 4.874 -12.397 1.00 0.00 C ATOM 270 O GLU A 21 1.643 5.592 -11.802 1.00 0.00 O ATOM 271 CB GLU A 21 0.182 5.868 -14.631 1.00 0.00 C ATOM 272 CG GLU A 21 0.067 5.625 -16.146 1.00 0.00 C ATOM 273 CD GLU A 21 -0.535 6.801 -16.912 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.748 7.066 -16.750 1.00 0.00 O ATOM 275 OE2 GLU A 21 0.187 7.394 -17.753 1.00 0.00 O ATOM 0 H GLU A 21 -0.481 3.492 -14.862 1.00 0.00 H new ATOM 0 HA GLU A 21 1.976 4.778 -14.206 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.815 5.973 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.706 6.807 -14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.058 5.411 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.545 4.739 -16.318 1.00 0.00 H new ATOM 282 N GLU A 22 -0.141 4.225 -11.761 1.00 0.00 N ATOM 283 CA GLU A 22 -0.329 4.254 -10.311 1.00 0.00 C ATOM 284 C GLU A 22 0.778 3.387 -9.715 1.00 0.00 C ATOM 285 O GLU A 22 1.506 3.822 -8.825 1.00 0.00 O ATOM 286 CB GLU A 22 -1.740 3.772 -9.912 1.00 0.00 C ATOM 287 CG GLU A 22 -2.842 4.605 -10.584 1.00 0.00 C ATOM 288 CD GLU A 22 -4.253 4.185 -10.163 1.00 0.00 C ATOM 289 OE1 GLU A 22 -4.667 4.455 -9.013 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.953 3.609 -11.027 1.00 0.00 O ATOM 0 H GLU A 22 -0.835 3.658 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.260 5.271 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.857 2.724 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.851 3.830 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.694 5.657 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.750 4.513 -11.666 1.00 0.00 H new ATOM 297 N LYS A 23 0.959 2.175 -10.258 1.00 0.00 N ATOM 298 CA LYS A 23 1.993 1.251 -9.815 1.00 0.00 C ATOM 299 C LYS A 23 3.364 1.914 -9.876 1.00 0.00 C ATOM 300 O LYS A 23 4.132 1.841 -8.915 1.00 0.00 O ATOM 301 CB LYS A 23 1.992 0.020 -10.722 1.00 0.00 C ATOM 302 CG LYS A 23 0.828 -0.910 -10.402 1.00 0.00 C ATOM 303 CD LYS A 23 0.632 -1.854 -11.574 1.00 0.00 C ATOM 304 CE LYS A 23 -0.348 -2.951 -11.195 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.474 -3.947 -12.276 1.00 0.00 N ATOM 0 H LYS A 23 0.385 1.814 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 23 1.786 0.960 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.932 0.335 -11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.932 -0.519 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.032 -1.473 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.080 -0.334 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.259 -1.303 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.587 -2.292 -11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.014 -3.442 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.324 -2.514 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.149 -4.685 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.816 -3.480 -13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.454 -4.379 -12.460 1.00 0.00 H new ATOM 319 N ARG A 24 3.680 2.541 -11.013 1.00 0.00 N ATOM 320 CA ARG A 24 4.961 3.198 -11.187 1.00 0.00 C ATOM 321 C ARG A 24 5.134 4.359 -10.230 1.00 0.00 C ATOM 322 O ARG A 24 6.216 4.421 -9.644 1.00 0.00 O ATOM 323 CB ARG A 24 5.180 3.635 -12.639 1.00 0.00 C ATOM 324 CG ARG A 24 5.571 2.434 -13.507 1.00 0.00 C ATOM 325 CD ARG A 24 6.327 2.880 -14.756 1.00 0.00 C ATOM 326 NE ARG A 24 7.057 1.744 -15.317 1.00 0.00 N ATOM 327 CZ ARG A 24 8.242 1.749 -15.921 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.862 2.885 -16.231 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.797 0.582 -16.209 1.00 0.00 N ATOM 0 H ARG A 24 3.061 2.603 -11.821 1.00 0.00 H new ATOM 0 HA ARG A 24 5.729 2.463 -10.947 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.270 4.092 -13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.962 4.393 -12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.191 1.750 -12.928 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.676 1.885 -13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.630 3.277 -15.493 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.020 3.684 -14.507 1.00 0.00 H new ATOM 0 HE ARG A 24 6.601 0.835 -15.235 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.429 3.780 -16.005 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.770 2.860 -16.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.316 -0.285 -15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.705 0.550 -16.672 1.00 0.00 H new ATOM 343 N GLN A 25 4.129 5.227 -10.063 1.00 0.00 N ATOM 344 CA GLN A 25 4.186 6.379 -9.166 1.00 0.00 C ATOM 345 C GLN A 25 4.594 5.935 -7.770 1.00 0.00 C ATOM 346 O GLN A 25 5.463 6.560 -7.169 1.00 0.00 O ATOM 347 CB GLN A 25 2.828 7.096 -9.144 1.00 0.00 C ATOM 348 CG GLN A 25 2.753 8.280 -8.165 1.00 0.00 C ATOM 349 CD GLN A 25 3.758 9.374 -8.508 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.645 10.014 -9.552 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.763 9.606 -7.686 1.00 0.00 N ATOM 0 H GLN A 25 3.241 5.144 -10.557 1.00 0.00 H new ATOM 0 HA GLN A 25 4.936 7.081 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.604 7.455 -10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.054 6.375 -8.883 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.746 8.697 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.938 7.924 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.849 9.071 -6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.454 10.321 -7.914 1.00 0.00 H new ATOM 360 N LEU A 26 4.033 4.823 -7.287 1.00 0.00 N ATOM 361 CA LEU A 26 4.351 4.317 -5.961 1.00 0.00 C ATOM 362 C LEU A 26 5.860 4.131 -5.778 1.00 0.00 C ATOM 363 O LEU A 26 6.384 4.374 -4.695 1.00 0.00 O ATOM 364 CB LEU A 26 3.627 2.985 -5.708 1.00 0.00 C ATOM 365 CG LEU A 26 2.862 2.902 -4.381 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.668 3.400 -3.176 1.00 0.00 C ATOM 367 CD2 LEU A 26 1.530 3.639 -4.469 1.00 0.00 C ATOM 0 H LEU A 26 3.356 4.259 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 26 4.010 5.056 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.927 2.809 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.360 2.179 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 26 2.676 1.841 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.064 3.312 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.571 2.799 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.943 4.444 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.009 3.564 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.710 4.688 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.918 3.192 -5.253 1.00 0.00 H new ATOM 379 N SER A 27 6.563 3.688 -6.823 1.00 0.00 N ATOM 380 CA SER A 27 8.000 3.482 -6.780 1.00 0.00 C ATOM 381 C SER A 27 8.726 4.812 -6.568 1.00 0.00 C ATOM 382 O SER A 27 9.664 4.869 -5.769 1.00 0.00 O ATOM 383 CB SER A 27 8.482 2.833 -8.075 1.00 0.00 C ATOM 384 OG SER A 27 9.591 1.995 -7.825 1.00 0.00 O ATOM 0 H SER A 27 6.143 3.463 -7.725 1.00 0.00 H new ATOM 0 HA SER A 27 8.225 2.820 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.674 2.253 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.756 3.604 -8.795 1.00 0.00 H new ATOM 0 HG SER A 27 9.887 1.585 -8.664 1.00 0.00 H new ATOM 390 N LEU A 28 8.333 5.875 -7.284 1.00 0.00 N ATOM 391 CA LEU A 28 8.947 7.192 -7.164 1.00 0.00 C ATOM 392 C LEU A 28 8.842 7.652 -5.722 1.00 0.00 C ATOM 393 O LEU A 28 9.811 8.170 -5.176 1.00 0.00 O ATOM 394 CB LEU A 28 8.253 8.221 -8.078 1.00 0.00 C ATOM 395 CG LEU A 28 8.578 8.159 -9.577 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.066 8.379 -9.867 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.078 6.873 -10.226 1.00 0.00 C ATOM 0 H LEU A 28 7.575 5.838 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 28 9.991 7.117 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.176 8.105 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.507 9.218 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 28 8.035 8.988 -10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.239 8.325 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.367 9.360 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.652 7.609 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.332 6.878 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.548 6.016 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.996 6.805 -10.113 1.00 0.00 H new ATOM 409 N ASP A 29 7.693 7.439 -5.089 1.00 0.00 N ATOM 410 CA ASP A 29 7.480 7.841 -3.706 1.00 0.00 C ATOM 411 C ASP A 29 8.241 6.931 -2.749 1.00 0.00 C ATOM 412 O ASP A 29 8.799 7.417 -1.764 1.00 0.00 O ATOM 413 CB ASP A 29 5.994 7.888 -3.398 1.00 0.00 C ATOM 414 CG ASP A 29 5.389 9.122 -4.057 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.751 10.256 -3.658 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.555 8.964 -4.972 1.00 0.00 O ATOM 0 H ASP A 29 6.887 6.985 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 29 7.877 8.846 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.505 6.986 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.834 7.920 -2.320 1.00 0.00 H new ATOM 421 N ILE A 30 8.320 5.627 -3.022 1.00 0.00 N ATOM 422 CA ILE A 30 9.057 4.668 -2.196 1.00 0.00 C ATOM 423 C ILE A 30 10.534 5.099 -2.198 1.00 0.00 C ATOM 424 O ILE A 30 11.223 5.013 -1.176 1.00 0.00 O ATOM 425 CB ILE A 30 8.805 3.228 -2.725 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.478 2.709 -2.124 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.932 2.228 -2.412 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.926 1.456 -2.818 1.00 0.00 C ATOM 0 H ILE A 30 7.869 5.202 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 30 8.720 4.658 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 30 8.763 3.297 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.631 2.489 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.731 3.501 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.673 1.250 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.861 2.574 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.061 2.151 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.995 1.155 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.739 1.675 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.652 0.647 -2.740 1.00 0.00 H new ATOM 440 N ASN A 31 11.023 5.622 -3.326 1.00 0.00 N ATOM 441 CA ASN A 31 12.393 6.099 -3.475 1.00 0.00 C ATOM 442 C ASN A 31 12.665 7.330 -2.603 1.00 0.00 C ATOM 443 O ASN A 31 13.829 7.638 -2.356 1.00 0.00 O ATOM 444 CB ASN A 31 12.720 6.383 -4.950 1.00 0.00 C ATOM 445 CG ASN A 31 13.253 5.146 -5.649 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.455 4.997 -5.848 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.390 4.241 -6.070 1.00 0.00 N ATOM 0 H ASN A 31 10.465 5.726 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 31 13.054 5.304 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.824 6.734 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.457 7.184 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.721 3.412 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.392 4.370 -5.902 1.00 0.00 H new ATOM 454 N LYS A 32 11.642 8.043 -2.114 1.00 0.00 N ATOM 455 CA LYS A 32 11.815 9.221 -1.258 1.00 0.00 C ATOM 456 C LYS A 32 11.972 8.823 0.209 1.00 0.00 C ATOM 457 O LYS A 32 12.199 9.709 1.043 1.00 0.00 O ATOM 458 CB LYS A 32 10.624 10.192 -1.410 1.00 0.00 C ATOM 459 CG LYS A 32 10.391 10.699 -2.842 1.00 0.00 C ATOM 460 CD LYS A 32 11.492 11.644 -3.335 1.00 0.00 C ATOM 461 CE LYS A 32 11.284 13.052 -2.781 1.00 0.00 C ATOM 462 NZ LYS A 32 12.492 13.873 -2.960 1.00 0.00 N ATOM 0 H LYS A 32 10.666 7.816 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 32 12.726 9.725 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.719 9.693 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.786 11.049 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.325 9.845 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.432 11.215 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.467 11.267 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.492 11.673 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.441 13.524 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.031 12.996 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.325 14.825 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.289 13.432 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.717 13.943 -3.973 1.00 0.00 H new ATOM 476 N LEU A 33 11.761 7.558 0.573 1.00 0.00 N ATOM 477 CA LEU A 33 11.899 7.091 1.950 1.00 0.00 C ATOM 478 C LEU A 33 13.377 6.804 2.223 1.00 0.00 C ATOM 479 O LEU A 33 14.049 6.274 1.336 1.00 0.00 O ATOM 480 CB LEU A 33 11.124 5.778 2.159 1.00 0.00 C ATOM 481 CG LEU A 33 9.600 5.898 1.985 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.006 4.504 1.798 1.00 0.00 C ATOM 483 CD2 LEU A 33 8.933 6.578 3.189 1.00 0.00 C ATOM 0 H LEU A 33 11.488 6.826 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 33 11.508 7.858 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.499 5.034 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.334 5.404 3.161 1.00 0.00 H new ATOM 0 HG LEU A 33 9.411 6.518 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.926 4.582 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.440 4.039 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.227 3.894 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.858 6.641 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.127 5.995 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.340 7.582 3.312 1.00 0.00 H new ATOM 495 N PRO A 34 13.904 7.110 3.418 1.00 0.00 N ATOM 496 CA PRO A 34 15.294 6.824 3.758 1.00 0.00 C ATOM 497 C PRO A 34 15.497 5.307 3.871 1.00 0.00 C ATOM 498 O PRO A 34 14.527 4.559 4.027 1.00 0.00 O ATOM 499 CB PRO A 34 15.514 7.514 5.103 1.00 0.00 C ATOM 500 CG PRO A 34 14.145 7.511 5.743 1.00 0.00 C ATOM 501 CD PRO A 34 13.232 7.745 4.539 1.00 0.00 C ATOM 0 HA PRO A 34 15.999 7.179 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.241 6.977 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.892 8.528 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.929 6.566 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.043 8.297 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.246 7.311 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.086 8.810 4.358 1.00 0.00 H new ATOM 509 N GLY A 35 16.754 4.857 3.869 1.00 0.00 N ATOM 510 CA GLY A 35 17.143 3.456 3.960 1.00 0.00 C ATOM 511 C GLY A 35 16.427 2.718 5.081 1.00 0.00 C ATOM 512 O GLY A 35 15.811 1.680 4.829 1.00 0.00 O ATOM 0 H GLY A 35 17.555 5.485 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.930 2.962 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.220 3.392 4.118 1.00 0.00 H new ATOM 516 N GLU A 36 16.456 3.280 6.291 1.00 0.00 N ATOM 517 CA GLU A 36 15.816 2.700 7.467 1.00 0.00 C ATOM 518 C GLU A 36 14.298 2.520 7.271 1.00 0.00 C ATOM 519 O GLU A 36 13.740 1.480 7.626 1.00 0.00 O ATOM 520 CB GLU A 36 16.166 3.533 8.726 1.00 0.00 C ATOM 521 CG GLU A 36 15.613 4.972 8.705 1.00 0.00 C ATOM 522 CD GLU A 36 16.040 5.859 9.884 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.241 6.174 10.027 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.144 6.369 10.604 1.00 0.00 O ATOM 0 H GLU A 36 16.932 4.162 6.481 1.00 0.00 H new ATOM 0 HA GLU A 36 16.210 1.695 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.779 3.020 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.250 3.574 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.929 5.451 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.524 4.924 8.684 1.00 0.00 H new ATOM 531 N LYS A 37 13.609 3.505 6.682 1.00 0.00 N ATOM 532 CA LYS A 37 12.161 3.463 6.463 1.00 0.00 C ATOM 533 C LYS A 37 11.773 2.609 5.260 1.00 0.00 C ATOM 534 O LYS A 37 10.596 2.251 5.152 1.00 0.00 O ATOM 535 CB LYS A 37 11.603 4.890 6.307 1.00 0.00 C ATOM 536 CG LYS A 37 11.683 5.708 7.611 1.00 0.00 C ATOM 537 CD LYS A 37 11.233 7.172 7.461 1.00 0.00 C ATOM 538 CE LYS A 37 10.369 7.670 8.629 1.00 0.00 C ATOM 539 NZ LYS A 37 11.167 7.890 9.856 1.00 0.00 N ATOM 0 H LYS A 37 14.047 4.361 6.341 1.00 0.00 H new ATOM 0 HA LYS A 37 11.720 2.994 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.156 5.408 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.564 4.836 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.066 5.225 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.710 5.690 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.114 7.808 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.671 7.278 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.877 8.600 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.583 6.943 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.545 8.226 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.616 6.997 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.901 8.602 9.669 1.00 0.00 H new ATOM 553 N LEU A 38 12.705 2.279 4.361 1.00 0.00 N ATOM 554 CA LEU A 38 12.410 1.461 3.189 1.00 0.00 C ATOM 555 C LEU A 38 12.104 0.029 3.612 1.00 0.00 C ATOM 556 O LEU A 38 11.167 -0.554 3.083 1.00 0.00 O ATOM 557 CB LEU A 38 13.560 1.507 2.174 1.00 0.00 C ATOM 558 CG LEU A 38 13.326 0.697 0.882 1.00 0.00 C ATOM 559 CD1 LEU A 38 12.054 1.129 0.152 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.510 0.898 -0.069 1.00 0.00 C ATOM 0 H LEU A 38 13.680 2.572 4.428 1.00 0.00 H new ATOM 0 HA LEU A 38 11.528 1.871 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.744 2.547 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.465 1.138 2.657 1.00 0.00 H new ATOM 0 HG LEU A 38 13.223 -0.349 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.932 0.531 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.193 0.982 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.129 2.182 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.345 0.326 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.603 1.956 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.426 0.556 0.413 1.00 0.00 H new ATOM 572 N GLY A 39 12.811 -0.534 4.598 1.00 0.00 N ATOM 573 CA GLY A 39 12.549 -1.905 5.048 1.00 0.00 C ATOM 574 C GLY A 39 11.090 -2.089 5.493 1.00 0.00 C ATOM 575 O GLY A 39 10.475 -3.133 5.264 1.00 0.00 O ATOM 0 H GLY A 39 13.566 -0.064 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.774 -2.602 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.215 -2.150 5.875 1.00 0.00 H new ATOM 579 N ARG A 40 10.492 -1.040 6.076 1.00 0.00 N ATOM 580 CA ARG A 40 9.105 -1.056 6.533 1.00 0.00 C ATOM 581 C ARG A 40 8.137 -1.250 5.360 1.00 0.00 C ATOM 582 O ARG A 40 7.020 -1.724 5.569 1.00 0.00 O ATOM 583 CB ARG A 40 8.810 0.264 7.275 1.00 0.00 C ATOM 584 CG ARG A 40 7.427 0.337 7.945 1.00 0.00 C ATOM 585 CD ARG A 40 7.370 -0.598 9.151 1.00 0.00 C ATOM 586 NE ARG A 40 5.999 -0.867 9.610 1.00 0.00 N ATOM 587 CZ ARG A 40 5.641 -1.979 10.264 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.553 -2.859 10.672 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.363 -2.210 10.521 1.00 0.00 N ATOM 0 H ARG A 40 10.966 -0.152 6.242 1.00 0.00 H new ATOM 0 HA ARG A 40 8.961 -1.897 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.575 0.414 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.899 1.089 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.222 1.360 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.653 0.063 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.852 -1.541 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.941 -0.160 9.970 1.00 0.00 H new ATOM 0 HE ARG A 40 5.281 -0.168 9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.542 -2.691 10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.263 -3.701 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.654 -1.541 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.088 -3.057 11.019 1.00 0.00 H new ATOM 603 N VAL A 41 8.513 -0.856 4.141 1.00 0.00 N ATOM 604 CA VAL A 41 7.675 -0.996 2.959 1.00 0.00 C ATOM 605 C VAL A 41 7.385 -2.476 2.741 1.00 0.00 C ATOM 606 O VAL A 41 6.229 -2.845 2.560 1.00 0.00 O ATOM 607 CB VAL A 41 8.362 -0.361 1.731 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.571 -0.559 0.433 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.553 1.147 1.926 1.00 0.00 C ATOM 0 H VAL A 41 9.418 -0.427 3.950 1.00 0.00 H new ATOM 0 HA VAL A 41 6.732 -0.469 3.103 1.00 0.00 H new ATOM 0 HB VAL A 41 9.322 -0.870 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.105 -0.090 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.458 -1.625 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.586 -0.103 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.039 1.569 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.582 1.622 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.174 1.325 2.804 1.00 0.00 H new ATOM 619 N VAL A 42 8.403 -3.332 2.808 1.00 0.00 N ATOM 620 CA VAL A 42 8.255 -4.764 2.597 1.00 0.00 C ATOM 621 C VAL A 42 7.242 -5.391 3.563 1.00 0.00 C ATOM 622 O VAL A 42 6.454 -6.254 3.175 1.00 0.00 O ATOM 623 CB VAL A 42 9.621 -5.458 2.734 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.534 -6.819 2.047 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.827 -4.693 2.157 1.00 0.00 C ATOM 0 H VAL A 42 9.360 -3.045 3.012 1.00 0.00 H new ATOM 0 HA VAL A 42 7.870 -4.909 1.588 1.00 0.00 H new ATOM 0 HB VAL A 42 9.811 -5.524 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.493 -7.331 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.759 -7.419 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.288 -6.680 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.735 -5.276 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.677 -4.528 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.924 -3.732 2.662 1.00 0.00 H new ATOM 635 N HIS A 43 7.226 -4.940 4.821 1.00 0.00 N ATOM 636 CA HIS A 43 6.318 -5.467 5.834 1.00 0.00 C ATOM 637 C HIS A 43 4.854 -5.239 5.443 1.00 0.00 C ATOM 638 O HIS A 43 3.975 -5.935 5.961 1.00 0.00 O ATOM 639 CB HIS A 43 6.641 -4.870 7.214 1.00 0.00 C ATOM 640 CG HIS A 43 7.806 -5.520 7.922 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.815 -5.909 9.245 1.00 0.00 N ATOM 642 CD2 HIS A 43 9.031 -5.833 7.392 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.026 -6.419 9.515 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.798 -6.409 8.413 1.00 0.00 N ATOM 0 H HIS A 43 7.842 -4.201 5.161 1.00 0.00 H new ATOM 0 HA HIS A 43 6.466 -6.545 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.852 -3.807 7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.757 -4.951 7.847 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.347 -5.666 6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.338 -6.786 10.482 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.755 -6.754 8.336 1.00 0.00 H new ATOM 652 N ILE A 44 4.566 -4.282 4.554 1.00 0.00 N ATOM 653 CA ILE A 44 3.204 -4.016 4.116 1.00 0.00 C ATOM 654 C ILE A 44 2.733 -5.188 3.248 1.00 0.00 C ATOM 655 O ILE A 44 1.589 -5.630 3.389 1.00 0.00 O ATOM 656 CB ILE A 44 3.139 -2.679 3.349 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.546 -1.493 4.258 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.723 -2.485 2.783 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.807 -0.185 3.501 1.00 0.00 C ATOM 0 H ILE A 44 5.268 -3.679 4.125 1.00 0.00 H new ATOM 0 HA ILE A 44 2.542 -3.925 4.977 1.00 0.00 H new ATOM 0 HB ILE A 44 3.850 -2.708 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.758 -1.325 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.444 -1.765 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.674 -1.541 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.486 -3.305 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.003 -2.471 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.086 0.595 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.616 -0.334 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.904 0.114 2.969 1.00 0.00 H new ATOM 671 N ILE A 45 3.581 -5.677 2.333 1.00 0.00 N ATOM 672 CA ILE A 45 3.216 -6.786 1.461 1.00 0.00 C ATOM 673 C ILE A 45 3.011 -8.040 2.313 1.00 0.00 C ATOM 674 O ILE A 45 2.033 -8.749 2.079 1.00 0.00 O ATOM 675 CB ILE A 45 4.211 -7.000 0.298 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.376 -5.753 -0.606 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.675 -8.145 -0.578 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.520 -4.835 -0.173 1.00 0.00 C ATOM 0 H ILE A 45 4.524 -5.317 2.183 1.00 0.00 H new ATOM 0 HA ILE A 45 2.277 -6.543 0.964 1.00 0.00 H new ATOM 0 HB ILE A 45 5.184 -7.219 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.549 -6.078 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.445 -5.186 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.359 -8.318 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.593 -9.053 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.693 -7.877 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.578 -3.982 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.338 -4.481 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.460 -5.386 -0.202 1.00 0.00 H new ATOM 690 N GLN A 46 3.807 -8.257 3.368 1.00 0.00 N ATOM 691 CA GLN A 46 3.661 -9.429 4.234 1.00 0.00 C ATOM 692 C GLN A 46 2.254 -9.526 4.837 1.00 0.00 C ATOM 693 O GLN A 46 1.797 -10.625 5.157 1.00 0.00 O ATOM 694 CB GLN A 46 4.703 -9.415 5.360 1.00 0.00 C ATOM 695 CG GLN A 46 6.126 -9.575 4.819 1.00 0.00 C ATOM 696 CD GLN A 46 7.133 -9.887 5.920 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.105 -9.321 7.012 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.052 -10.793 5.642 1.00 0.00 N ATOM 0 H GLN A 46 4.563 -7.630 3.642 1.00 0.00 H new ATOM 0 HA GLN A 46 3.823 -10.305 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.628 -8.479 5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.489 -10.220 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.143 -10.374 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.423 -8.659 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.058 -11.251 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.756 -11.035 6.339 1.00 0.00 H new ATOM 707 N SER A 47 1.546 -8.401 5.004 1.00 0.00 N ATOM 708 CA SER A 47 0.196 -8.415 5.547 1.00 0.00 C ATOM 709 C SER A 47 -0.753 -9.117 4.568 1.00 0.00 C ATOM 710 O SER A 47 -1.767 -9.676 4.977 1.00 0.00 O ATOM 711 CB SER A 47 -0.264 -6.970 5.798 1.00 0.00 C ATOM 712 OG SER A 47 -1.574 -6.935 6.336 1.00 0.00 O ATOM 0 H SER A 47 1.893 -7.472 4.768 1.00 0.00 H new ATOM 0 HA SER A 47 0.185 -8.962 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.427 -6.480 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.237 -6.409 4.864 1.00 0.00 H new ATOM 0 HG SER A 47 -1.716 -7.722 6.903 1.00 0.00 H new ATOM 718 N ARG A 48 -0.453 -9.073 3.270 1.00 0.00 N ATOM 719 CA ARG A 48 -1.248 -9.661 2.198 1.00 0.00 C ATOM 720 C ARG A 48 -0.715 -11.006 1.743 1.00 0.00 C ATOM 721 O ARG A 48 -1.507 -11.842 1.316 1.00 0.00 O ATOM 722 CB ARG A 48 -1.223 -8.722 0.984 1.00 0.00 C ATOM 723 CG ARG A 48 -1.535 -7.251 1.290 1.00 0.00 C ATOM 724 CD ARG A 48 -2.954 -6.995 1.799 1.00 0.00 C ATOM 725 NE ARG A 48 -3.070 -7.201 3.248 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.154 -7.567 3.933 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.345 -7.703 3.363 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.027 -7.833 5.218 1.00 0.00 N ATOM 0 H ARG A 48 0.386 -8.607 2.925 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.255 -9.802 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.238 -8.779 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.942 -9.084 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.825 -6.890 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.376 -6.663 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.247 -5.974 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.648 -7.658 1.283 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.223 -7.046 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.456 -7.525 2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.149 -7.985 3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.114 -7.757 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.842 -8.115 5.763 1.00 0.00 H new ATOM 742 N GLU A 49 0.592 -11.229 1.860 1.00 0.00 N ATOM 743 CA GLU A 49 1.233 -12.458 1.435 1.00 0.00 C ATOM 744 C GLU A 49 1.700 -13.286 2.631 1.00 0.00 C ATOM 745 O GLU A 49 2.823 -13.104 3.110 1.00 0.00 O ATOM 746 CB GLU A 49 2.373 -12.154 0.454 1.00 0.00 C ATOM 747 CG GLU A 49 1.947 -11.476 -0.854 1.00 0.00 C ATOM 748 CD GLU A 49 0.680 -12.048 -1.511 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.442 -13.282 -1.478 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.088 -11.247 -2.107 1.00 0.00 O ATOM 0 H GLU A 49 1.239 -10.548 2.259 1.00 0.00 H new ATOM 0 HA GLU A 49 0.500 -13.067 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.101 -11.516 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.881 -13.088 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.787 -10.416 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.769 -11.549 -1.566 1.00 0.00 H new ATOM 757 N PRO A 50 0.870 -14.215 3.138 1.00 0.00 N ATOM 758 CA PRO A 50 1.249 -15.044 4.271 1.00 0.00 C ATOM 759 C PRO A 50 2.423 -15.965 3.917 1.00 0.00 C ATOM 760 O PRO A 50 3.208 -16.318 4.796 1.00 0.00 O ATOM 761 CB PRO A 50 -0.018 -15.800 4.659 1.00 0.00 C ATOM 762 CG PRO A 50 -0.833 -15.862 3.373 1.00 0.00 C ATOM 763 CD PRO A 50 -0.474 -14.553 2.686 1.00 0.00 C ATOM 0 HA PRO A 50 1.612 -14.457 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.213 -16.798 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.562 -15.283 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.564 -16.726 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.902 -15.934 3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.505 -14.661 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.183 -13.768 2.949 1.00 0.00 H new ATOM 771 N SER A 51 2.594 -16.341 2.646 1.00 0.00 N ATOM 772 CA SER A 51 3.699 -17.197 2.233 1.00 0.00 C ATOM 773 C SER A 51 5.018 -16.395 2.195 1.00 0.00 C ATOM 774 O SER A 51 6.095 -16.986 2.117 1.00 0.00 O ATOM 775 CB SER A 51 3.350 -17.849 0.886 1.00 0.00 C ATOM 776 OG SER A 51 3.938 -19.132 0.783 1.00 0.00 O ATOM 0 H SER A 51 1.975 -16.062 1.885 1.00 0.00 H new ATOM 0 HA SER A 51 3.853 -17.997 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.268 -17.931 0.786 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.699 -17.217 0.069 1.00 0.00 H new ATOM 0 HG SER A 51 3.703 -19.531 -0.081 1.00 0.00 H new ATOM 782 N LEU A 52 4.974 -15.058 2.245 1.00 0.00 N ATOM 783 CA LEU A 52 6.149 -14.180 2.236 1.00 0.00 C ATOM 784 C LEU A 52 6.367 -13.552 3.620 1.00 0.00 C ATOM 785 O LEU A 52 7.363 -12.869 3.854 1.00 0.00 O ATOM 786 CB LEU A 52 6.017 -13.125 1.119 1.00 0.00 C ATOM 787 CG LEU A 52 6.387 -13.589 -0.306 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.798 -14.180 -0.390 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.396 -14.583 -0.918 1.00 0.00 C ATOM 0 H LEU A 52 4.095 -14.543 2.294 1.00 0.00 H new ATOM 0 HA LEU A 52 7.038 -14.771 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.987 -12.767 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.647 -12.274 1.376 1.00 0.00 H new ATOM 0 HG LEU A 52 6.344 -12.671 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.003 -14.489 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.526 -13.428 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.871 -15.044 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.728 -14.859 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.344 -15.475 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.409 -14.123 -0.977 1.00 0.00 H new ATOM 801 N LYS A 53 5.462 -13.802 4.573 1.00 0.00 N ATOM 802 CA LYS A 53 5.504 -13.301 5.944 1.00 0.00 C ATOM 803 C LYS A 53 6.721 -13.790 6.733 1.00 0.00 C ATOM 804 O LYS A 53 7.120 -13.107 7.677 1.00 0.00 O ATOM 805 CB LYS A 53 4.204 -13.765 6.626 1.00 0.00 C ATOM 806 CG LYS A 53 4.057 -13.480 8.125 1.00 0.00 C ATOM 807 CD LYS A 53 3.962 -11.989 8.464 1.00 0.00 C ATOM 808 CE LYS A 53 3.797 -11.853 9.981 1.00 0.00 C ATOM 809 NZ LYS A 53 3.643 -10.445 10.403 1.00 0.00 N ATOM 0 H LYS A 53 4.645 -14.386 4.397 1.00 0.00 H new ATOM 0 HA LYS A 53 5.592 -12.215 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.366 -13.296 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.110 -14.841 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.165 -13.985 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.909 -13.910 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.858 -11.465 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.117 -11.535 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.926 -12.424 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.664 -12.287 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.535 -10.402 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.485 -9.904 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.801 -10.037 9.949 1.00 0.00 H new ATOM 823 N ASN A 54 7.300 -14.933 6.370 1.00 0.00 N ATOM 824 CA ASN A 54 8.446 -15.540 7.052 1.00 0.00 C ATOM 825 C ASN A 54 9.745 -15.306 6.281 1.00 0.00 C ATOM 826 O ASN A 54 10.703 -16.061 6.441 1.00 0.00 O ATOM 827 CB ASN A 54 8.203 -17.042 7.316 1.00 0.00 C ATOM 828 CG ASN A 54 6.757 -17.346 7.673 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.345 -17.243 8.822 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.930 -17.653 6.681 1.00 0.00 N ATOM 0 H ASN A 54 6.977 -15.479 5.571 1.00 0.00 H new ATOM 0 HA ASN A 54 8.555 -15.049 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.482 -17.613 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.851 -17.374 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.940 -17.806 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.285 -17.736 5.728 1.00 0.00 H new ATOM 837 N SER A 55 9.778 -14.304 5.401 1.00 0.00 N ATOM 838 CA SER A 55 10.946 -13.964 4.607 1.00 0.00 C ATOM 839 C SER A 55 11.464 -12.596 5.068 1.00 0.00 C ATOM 840 O SER A 55 10.685 -11.733 5.489 1.00 0.00 O ATOM 841 CB SER A 55 10.595 -14.080 3.116 1.00 0.00 C ATOM 842 OG SER A 55 10.081 -15.379 2.825 1.00 0.00 O ATOM 0 H SER A 55 8.977 -13.699 5.221 1.00 0.00 H new ATOM 0 HA SER A 55 11.774 -14.658 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.858 -13.322 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.482 -13.889 2.511 1.00 0.00 H new ATOM 0 HG SER A 55 9.860 -15.438 1.872 1.00 0.00 H new ATOM 848 N ASN A 56 12.784 -12.406 5.038 1.00 0.00 N ATOM 849 CA ASN A 56 13.433 -11.163 5.456 1.00 0.00 C ATOM 850 C ASN A 56 13.014 -10.035 4.521 1.00 0.00 C ATOM 851 O ASN A 56 12.856 -10.285 3.324 1.00 0.00 O ATOM 852 CB ASN A 56 14.975 -11.309 5.425 1.00 0.00 C ATOM 853 CG ASN A 56 15.605 -11.250 6.811 1.00 0.00 C ATOM 854 OD1 ASN A 56 14.992 -11.658 7.792 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.832 -10.780 6.939 1.00 0.00 N ATOM 0 H ASN A 56 13.440 -13.119 4.719 1.00 0.00 H new ATOM 0 HA ASN A 56 13.126 -10.937 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.236 -12.256 4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.397 -10.518 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.275 -10.755 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.337 -10.442 6.120 1.00 0.00 H new ATOM 862 N PRO A 57 12.848 -8.784 4.997 1.00 0.00 N ATOM 863 CA PRO A 57 12.481 -7.685 4.115 1.00 0.00 C ATOM 864 C PRO A 57 13.585 -7.525 3.071 1.00 0.00 C ATOM 865 O PRO A 57 13.337 -7.274 1.896 1.00 0.00 O ATOM 866 CB PRO A 57 12.323 -6.447 5.011 1.00 0.00 C ATOM 867 CG PRO A 57 13.128 -6.786 6.259 1.00 0.00 C ATOM 868 CD PRO A 57 13.003 -8.305 6.358 1.00 0.00 C ATOM 0 HA PRO A 57 11.549 -7.852 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.704 -5.550 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.276 -6.259 5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.168 -6.474 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.726 -6.291 7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.886 -8.739 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.147 -8.587 6.971 1.00 0.00 H new ATOM 876 N ASP A 58 14.816 -7.742 3.518 1.00 0.00 N ATOM 877 CA ASP A 58 16.061 -7.677 2.785 1.00 0.00 C ATOM 878 C ASP A 58 16.239 -8.797 1.756 1.00 0.00 C ATOM 879 O ASP A 58 17.244 -8.793 1.053 1.00 0.00 O ATOM 880 CB ASP A 58 17.170 -7.754 3.834 1.00 0.00 C ATOM 881 CG ASP A 58 18.450 -7.074 3.378 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.365 -5.888 2.991 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.541 -7.632 3.660 1.00 0.00 O ATOM 0 H ASP A 58 14.975 -7.991 4.494 1.00 0.00 H new ATOM 0 HA ASP A 58 16.082 -6.755 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.825 -7.290 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.379 -8.799 4.061 1.00 0.00 H new ATOM 888 N GLU A 59 15.291 -9.738 1.654 1.00 0.00 N ATOM 889 CA GLU A 59 15.337 -10.875 0.730 1.00 0.00 C ATOM 890 C GLU A 59 14.095 -10.943 -0.174 1.00 0.00 C ATOM 891 O GLU A 59 14.061 -11.753 -1.099 1.00 0.00 O ATOM 892 CB GLU A 59 15.520 -12.182 1.534 1.00 0.00 C ATOM 893 CG GLU A 59 16.827 -12.183 2.349 1.00 0.00 C ATOM 894 CD GLU A 59 17.110 -13.467 3.135 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.345 -14.462 3.098 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.126 -13.465 3.862 1.00 0.00 O ATOM 0 H GLU A 59 14.448 -9.727 2.229 1.00 0.00 H new ATOM 0 HA GLU A 59 16.189 -10.740 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.673 -12.314 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.519 -13.031 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.659 -12.002 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.800 -11.347 3.048 1.00 0.00 H new ATOM 903 N ILE A 60 13.089 -10.089 0.041 1.00 0.00 N ATOM 904 CA ILE A 60 11.854 -10.061 -0.743 1.00 0.00 C ATOM 905 C ILE A 60 11.986 -9.049 -1.888 1.00 0.00 C ATOM 906 O ILE A 60 12.394 -7.907 -1.652 1.00 0.00 O ATOM 907 CB ILE A 60 10.677 -9.712 0.195 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.375 -10.868 1.178 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.385 -9.323 -0.555 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.617 -10.404 2.430 1.00 0.00 C ATOM 0 H ILE A 60 13.113 -9.385 0.779 1.00 0.00 H new ATOM 0 HA ILE A 60 11.664 -11.037 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 60 11.006 -8.835 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.788 -11.630 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.312 -11.336 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.601 -9.091 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.575 -8.449 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.065 -10.154 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.434 -11.258 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.213 -9.663 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.665 -9.961 2.136 1.00 0.00 H new ATOM 922 N GLU A 61 11.675 -9.459 -3.118 1.00 0.00 N ATOM 923 CA GLU A 61 11.698 -8.612 -4.311 1.00 0.00 C ATOM 924 C GLU A 61 10.304 -7.971 -4.435 1.00 0.00 C ATOM 925 O GLU A 61 9.316 -8.586 -4.015 1.00 0.00 O ATOM 926 CB GLU A 61 12.067 -9.440 -5.560 1.00 0.00 C ATOM 927 CG GLU A 61 11.031 -10.522 -5.927 1.00 0.00 C ATOM 928 CD GLU A 61 11.390 -11.344 -7.169 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.168 -10.876 -8.034 1.00 0.00 O ATOM 930 OE2 GLU A 61 10.796 -12.428 -7.368 1.00 0.00 O ATOM 0 H GLU A 61 11.392 -10.418 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 61 12.457 -7.834 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.187 -8.765 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.032 -9.918 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.914 -11.198 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.065 -10.043 -6.089 1.00 0.00 H new ATOM 937 N ILE A 62 10.171 -6.800 -5.065 1.00 0.00 N ATOM 938 CA ILE A 62 8.893 -6.114 -5.212 1.00 0.00 C ATOM 939 C ILE A 62 8.549 -5.862 -6.680 1.00 0.00 C ATOM 940 O ILE A 62 9.025 -4.907 -7.292 1.00 0.00 O ATOM 941 CB ILE A 62 8.919 -4.804 -4.381 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.465 -5.025 -2.948 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.508 -4.191 -4.331 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.535 -3.754 -2.096 1.00 0.00 C ATOM 0 H ILE A 62 10.954 -6.302 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 62 8.099 -6.754 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 62 9.601 -4.113 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.834 -5.754 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.463 -5.459 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.531 -3.271 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.172 -3.969 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.820 -4.898 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.928 -3.999 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.191 -3.029 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.536 -3.329 -1.994 1.00 0.00 H new ATOM 956 N ASP A 63 7.637 -6.666 -7.217 1.00 0.00 N ATOM 957 CA ASP A 63 7.142 -6.578 -8.580 1.00 0.00 C ATOM 958 C ASP A 63 5.694 -6.137 -8.490 1.00 0.00 C ATOM 959 O ASP A 63 4.800 -6.920 -8.169 1.00 0.00 O ATOM 960 CB ASP A 63 7.290 -7.874 -9.383 1.00 0.00 C ATOM 961 CG ASP A 63 6.723 -9.150 -8.789 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.764 -9.351 -7.557 1.00 0.00 O ATOM 963 OD2 ASP A 63 6.349 -10.034 -9.596 1.00 0.00 O ATOM 0 H ASP A 63 7.207 -7.426 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 63 7.746 -5.859 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.820 -7.720 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.353 -8.034 -9.565 1.00 0.00 H new ATOM 968 N PHE A 64 5.442 -4.849 -8.740 1.00 0.00 N ATOM 969 CA PHE A 64 4.086 -4.278 -8.698 1.00 0.00 C ATOM 970 C PHE A 64 3.232 -4.903 -9.804 1.00 0.00 C ATOM 971 O PHE A 64 2.011 -4.780 -9.858 1.00 0.00 O ATOM 972 CB PHE A 64 4.145 -2.758 -8.865 1.00 0.00 C ATOM 973 CG PHE A 64 5.091 -2.043 -7.919 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.939 -2.159 -6.523 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.088 -1.201 -8.438 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.744 -1.398 -5.658 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.928 -0.484 -7.571 1.00 0.00 C ATOM 978 CZ PHE A 64 6.742 -0.562 -6.182 1.00 0.00 C ATOM 0 H PHE A 64 6.167 -4.172 -8.977 1.00 0.00 H new ATOM 0 HA PHE A 64 3.634 -4.500 -7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.441 -2.532 -9.889 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.142 -2.354 -8.726 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.201 -2.835 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.209 -1.105 -9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.595 -1.457 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.720 0.130 -7.974 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.365 0.020 -5.519 1.00 0.00 H new ATOM 988 N GLU A 65 3.935 -5.591 -10.691 1.00 0.00 N ATOM 989 CA GLU A 65 3.505 -6.315 -11.834 1.00 0.00 C ATOM 990 C GLU A 65 2.660 -7.520 -11.421 1.00 0.00 C ATOM 991 O GLU A 65 1.746 -7.869 -12.171 1.00 0.00 O ATOM 992 CB GLU A 65 4.772 -6.710 -12.606 1.00 0.00 C ATOM 993 CG GLU A 65 5.849 -5.619 -12.729 1.00 0.00 C ATOM 994 CD GLU A 65 6.719 -5.844 -13.963 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.238 -5.549 -15.078 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.879 -6.309 -13.853 1.00 0.00 O ATOM 0 H GLU A 65 4.949 -5.649 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 65 2.860 -5.715 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.215 -7.578 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.481 -7.021 -13.609 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.374 -4.640 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.473 -5.617 -11.835 1.00 0.00 H new ATOM 1003 N THR A 66 2.920 -8.133 -10.257 1.00 0.00 N ATOM 1004 CA THR A 66 2.138 -9.283 -9.784 1.00 0.00 C ATOM 1005 C THR A 66 1.420 -8.959 -8.470 1.00 0.00 C ATOM 1006 O THR A 66 0.501 -9.676 -8.071 1.00 0.00 O ATOM 1007 CB THR A 66 2.988 -10.565 -9.698 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.916 -10.528 -8.628 1.00 0.00 O ATOM 1009 CG2 THR A 66 3.756 -10.821 -10.997 1.00 0.00 C ATOM 0 H THR A 66 3.668 -7.850 -9.625 1.00 0.00 H new ATOM 0 HA THR A 66 1.366 -9.487 -10.526 1.00 0.00 H new ATOM 0 HB THR A 66 2.279 -11.374 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.820 -10.684 -8.973 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.344 -11.733 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.051 -10.931 -11.821 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.421 -9.981 -11.198 1.00 0.00 H new ATOM 1017 N LEU A 67 1.817 -7.877 -7.786 1.00 0.00 N ATOM 1018 CA LEU A 67 1.179 -7.495 -6.532 1.00 0.00 C ATOM 1019 C LEU A 67 -0.244 -7.049 -6.844 1.00 0.00 C ATOM 1020 O LEU A 67 -0.506 -6.410 -7.867 1.00 0.00 O ATOM 1021 CB LEU A 67 1.970 -6.397 -5.809 1.00 0.00 C ATOM 1022 CG LEU A 67 3.299 -6.892 -5.202 1.00 0.00 C ATOM 1023 CD1 LEU A 67 4.090 -5.703 -4.650 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.100 -7.919 -4.084 1.00 0.00 C ATOM 0 H LEU A 67 2.572 -7.259 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 67 1.157 -8.348 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.179 -5.589 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.351 -5.978 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 67 3.846 -7.384 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.028 -6.057 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.301 -5.001 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.505 -5.204 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.071 -8.229 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.515 -7.473 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.572 -8.788 -4.478 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.185 -7.392 -5.964 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.586 -7.036 -6.169 1.00 0.00 C ATOM 1038 C LYS A 68 -2.773 -5.534 -5.985 1.00 0.00 C ATOM 1039 O LYS A 68 -2.073 -4.939 -5.163 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.485 -7.787 -5.175 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.808 -9.236 -5.567 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.565 -10.124 -5.665 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.872 -11.604 -5.930 1.00 0.00 C ATOM 1044 NZ LYS A 68 -3.680 -12.226 -4.862 1.00 0.00 N ATOM 0 H LYS A 68 -1.002 -7.914 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.867 -7.318 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.001 -7.789 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.420 -7.238 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.493 -9.660 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.326 -9.240 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.925 -9.748 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.999 -10.042 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.401 -11.695 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.935 -12.151 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.727 -13.253 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.242 -12.034 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.641 -11.829 -4.878 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.781 -4.933 -6.639 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.061 -3.510 -6.520 1.00 0.00 C ATOM 1060 C PRO A 69 -4.341 -3.108 -5.071 1.00 0.00 C ATOM 1061 O PRO A 69 -4.001 -1.994 -4.673 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.257 -3.242 -7.437 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.879 -4.613 -7.678 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.670 -5.539 -7.616 1.00 0.00 C ATOM 0 HA PRO A 69 -3.202 -2.909 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.969 -2.561 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.942 -2.781 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.620 -4.862 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.382 -4.666 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.959 -6.546 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.187 -5.624 -8.590 1.00 0.00 H new ATOM 1072 N SER A 70 -4.907 -4.006 -4.259 1.00 0.00 N ATOM 1073 CA SER A 70 -5.213 -3.688 -2.871 1.00 0.00 C ATOM 1074 C SER A 70 -3.934 -3.544 -2.045 1.00 0.00 C ATOM 1075 O SER A 70 -3.856 -2.698 -1.158 1.00 0.00 O ATOM 1076 CB SER A 70 -6.095 -4.782 -2.273 1.00 0.00 C ATOM 1077 OG SER A 70 -7.051 -5.264 -3.202 1.00 0.00 O ATOM 0 H SER A 70 -5.160 -4.953 -4.542 1.00 0.00 H new ATOM 0 HA SER A 70 -5.744 -2.736 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.469 -5.608 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.609 -4.393 -1.394 1.00 0.00 H new ATOM 0 HG SER A 70 -7.593 -5.963 -2.780 1.00 0.00 H new ATOM 1083 N THR A 71 -2.921 -4.366 -2.334 1.00 0.00 N ATOM 1084 CA THR A 71 -1.642 -4.346 -1.639 1.00 0.00 C ATOM 1085 C THR A 71 -1.040 -2.949 -1.785 1.00 0.00 C ATOM 1086 O THR A 71 -0.662 -2.320 -0.796 1.00 0.00 O ATOM 1087 CB THR A 71 -0.736 -5.450 -2.222 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.435 -6.687 -2.193 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.584 -5.565 -1.454 1.00 0.00 C ATOM 0 H THR A 71 -2.973 -5.072 -3.068 1.00 0.00 H new ATOM 0 HA THR A 71 -1.757 -4.553 -0.575 1.00 0.00 H new ATOM 0 HB THR A 71 -0.488 -5.187 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.866 -7.393 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.194 -6.353 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.120 -4.618 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.378 -5.806 -0.411 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.040 -2.440 -3.019 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.506 -1.136 -3.370 1.00 0.00 C ATOM 1099 C LEU A 72 -1.209 0.006 -2.643 1.00 0.00 C ATOM 1100 O LEU A 72 -0.591 1.031 -2.374 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.567 -0.934 -4.883 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.023 -2.101 -5.729 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.097 -1.759 -7.211 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.406 -2.521 -5.377 1.00 0.00 C ATOM 0 H LEU A 72 -1.424 -2.943 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 72 0.534 -1.116 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.604 -0.755 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.007 -0.033 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.663 -2.952 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.291 -2.593 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.134 -1.571 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.499 -0.868 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.711 -3.347 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.080 -1.678 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.446 -2.837 -4.335 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.484 -0.148 -2.282 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.212 0.901 -1.574 1.00 0.00 C ATOM 1118 C ARG A 73 -2.583 1.188 -0.210 1.00 0.00 C ATOM 1119 O ARG A 73 -2.585 2.331 0.236 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.699 0.520 -1.449 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.618 1.596 -2.034 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.502 2.951 -1.333 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.585 3.853 -1.734 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.799 3.963 -1.192 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -8.274 3.054 -0.340 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.532 5.014 -1.517 1.00 0.00 N ATOM 0 H ARG A 73 -3.031 -0.988 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.146 1.823 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.875 -0.425 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.946 0.364 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.387 1.723 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.651 1.252 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.527 2.807 -0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.540 3.405 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.387 4.470 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.705 2.247 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.207 3.166 0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.165 5.711 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.465 5.128 -1.120 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.043 0.163 0.453 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.400 0.354 1.752 1.00 0.00 C ATOM 1142 C GLU A 74 -0.026 0.995 1.537 1.00 0.00 C ATOM 1143 O GLU A 74 0.490 1.661 2.441 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.251 -0.971 2.514 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.389 -1.329 3.479 1.00 0.00 C ATOM 1146 CD GLU A 74 -2.248 -0.604 4.821 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.179 0.648 4.845 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -2.142 -1.283 5.871 1.00 0.00 O ATOM 0 H GLU A 74 -2.038 -0.799 0.114 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.030 1.007 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.153 -1.776 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.320 -0.938 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.345 -1.070 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.397 -2.406 3.647 1.00 0.00 H new ATOM 1155 N LEU A 75 0.595 0.763 0.373 1.00 0.00 N ATOM 1156 CA LEU A 75 1.891 1.342 0.050 1.00 0.00 C ATOM 1157 C LEU A 75 1.681 2.850 -0.087 1.00 0.00 C ATOM 1158 O LEU A 75 2.457 3.611 0.495 1.00 0.00 O ATOM 1159 CB LEU A 75 2.490 0.768 -1.245 1.00 0.00 C ATOM 1160 CG LEU A 75 2.694 -0.752 -1.305 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.270 -1.092 -2.683 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.639 -1.257 -0.214 1.00 0.00 C ATOM 0 H LEU A 75 0.210 0.171 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 75 2.602 1.102 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.843 1.056 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.455 1.246 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 75 1.734 -1.241 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.427 -2.168 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.573 -0.773 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.221 -0.577 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.750 -2.338 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.613 -0.782 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.228 -1.011 0.765 1.00 0.00 H new ATOM 1174 N GLU A 76 0.637 3.257 -0.827 1.00 0.00 N ATOM 1175 CA GLU A 76 0.241 4.647 -1.064 1.00 0.00 C ATOM 1176 C GLU A 76 0.050 5.320 0.293 1.00 0.00 C ATOM 1177 O GLU A 76 0.640 6.354 0.578 1.00 0.00 O ATOM 1178 CB GLU A 76 -1.071 4.682 -1.875 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.758 6.061 -1.938 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.155 7.079 -2.915 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -0.308 6.702 -3.756 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.626 8.241 -2.898 1.00 0.00 O ATOM 0 H GLU A 76 0.021 2.593 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 76 1.006 5.174 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.862 4.350 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.768 3.964 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.804 5.910 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.743 6.496 -0.939 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.773 4.712 1.149 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.089 5.216 2.471 1.00 0.00 C ATOM 1191 C ARG A 77 0.161 5.522 3.282 1.00 0.00 C ATOM 1192 O ARG A 77 0.200 6.569 3.934 1.00 0.00 O ATOM 1193 CB ARG A 77 -1.986 4.186 3.166 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.481 4.472 2.935 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.149 5.034 4.196 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.129 4.080 5.320 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.968 3.056 5.506 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.042 2.914 4.741 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -4.697 2.176 6.460 1.00 0.00 N ATOM 0 H ARG A 77 -1.246 3.835 0.930 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.616 6.166 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.747 3.189 2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.778 4.188 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.594 5.182 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.985 3.554 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.641 5.952 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.181 5.300 3.968 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.404 4.215 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.235 3.590 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.675 2.129 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.862 2.288 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.324 1.387 6.619 1.00 0.00 H new ATOM 1213 N TYR A 78 1.140 4.615 3.277 1.00 0.00 N ATOM 1214 CA TYR A 78 2.382 4.791 4.004 1.00 0.00 C ATOM 1215 C TYR A 78 3.128 6.008 3.460 1.00 0.00 C ATOM 1216 O TYR A 78 3.443 6.919 4.233 1.00 0.00 O ATOM 1217 CB TYR A 78 3.223 3.510 3.925 1.00 0.00 C ATOM 1218 CG TYR A 78 4.573 3.562 4.624 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.680 3.966 5.970 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.732 3.159 3.934 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.934 3.985 6.613 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.983 3.157 4.574 1.00 0.00 C ATOM 1223 CZ TYR A 78 7.096 3.585 5.913 1.00 0.00 C ATOM 1224 OH TYR A 78 8.309 3.591 6.528 1.00 0.00 O ATOM 0 H TYR A 78 1.085 3.736 2.763 1.00 0.00 H new ATOM 0 HA TYR A 78 2.174 4.976 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.645 2.691 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.388 3.270 2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.795 4.263 6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.659 2.848 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.008 4.305 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.861 2.827 4.039 1.00 0.00 H new ATOM 0 HH TYR A 78 8.972 3.161 5.948 1.00 0.00 H new ATOM 1234 N VAL A 79 3.393 6.054 2.147 1.00 0.00 N ATOM 1235 CA VAL A 79 4.113 7.171 1.545 1.00 0.00 C ATOM 1236 C VAL A 79 3.380 8.490 1.788 1.00 0.00 C ATOM 1237 O VAL A 79 3.990 9.404 2.338 1.00 0.00 O ATOM 1238 CB VAL A 79 4.512 6.926 0.073 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.327 5.634 -0.054 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.365 6.828 -0.934 1.00 0.00 C ATOM 0 H VAL A 79 3.117 5.328 1.486 1.00 0.00 H new ATOM 0 HA VAL A 79 5.072 7.253 2.057 1.00 0.00 H new ATOM 0 HB VAL A 79 5.081 7.820 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.600 5.477 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.231 5.713 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.730 4.792 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.770 6.655 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.710 6.001 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.796 7.758 -0.929 1.00 0.00 H new ATOM 1250 N THR A 80 2.083 8.601 1.493 1.00 0.00 N ATOM 1251 CA THR A 80 1.320 9.826 1.703 1.00 0.00 C ATOM 1252 C THR A 80 1.432 10.296 3.153 1.00 0.00 C ATOM 1253 O THR A 80 1.501 11.497 3.400 1.00 0.00 O ATOM 1254 CB THR A 80 -0.154 9.570 1.345 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.284 9.076 0.033 1.00 0.00 O ATOM 1256 CG2 THR A 80 -1.042 10.813 1.422 1.00 0.00 C ATOM 0 H THR A 80 1.533 7.838 1.100 1.00 0.00 H new ATOM 0 HA THR A 80 1.725 10.609 1.062 1.00 0.00 H new ATOM 0 HB THR A 80 -0.482 8.847 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.100 8.113 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.065 10.547 1.155 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.024 11.211 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.671 11.569 0.729 1.00 0.00 H new ATOM 1264 N SER A 81 1.473 9.386 4.127 1.00 0.00 N ATOM 1265 CA SER A 81 1.554 9.789 5.521 1.00 0.00 C ATOM 1266 C SER A 81 2.953 10.283 5.906 1.00 0.00 C ATOM 1267 O SER A 81 3.092 11.041 6.873 1.00 0.00 O ATOM 1268 CB SER A 81 1.017 8.658 6.404 1.00 0.00 C ATOM 1269 OG SER A 81 0.441 9.173 7.596 1.00 0.00 O ATOM 0 H SER A 81 1.451 8.378 3.974 1.00 0.00 H new ATOM 0 HA SER A 81 0.918 10.659 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.271 8.085 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.826 7.971 6.654 1.00 0.00 H new ATOM 0 HG SER A 81 0.104 8.433 8.143 1.00 0.00 H new ATOM 1275 N CYS A 82 3.996 9.867 5.185 1.00 0.00 N ATOM 1276 CA CYS A 82 5.366 10.290 5.433 1.00 0.00 C ATOM 1277 C CYS A 82 5.717 11.512 4.566 1.00 0.00 C ATOM 1278 O CYS A 82 6.657 12.235 4.900 1.00 0.00 O ATOM 1279 CB CYS A 82 6.315 9.111 5.160 1.00 0.00 C ATOM 1280 SG CYS A 82 7.808 9.242 6.192 1.00 0.00 S ATOM 0 H CYS A 82 3.906 9.218 4.403 1.00 0.00 H new ATOM 0 HA CYS A 82 5.476 10.591 6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.804 8.170 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.594 9.098 4.106 1.00 0.00 H new ATOM 0 HG CYS A 82 8.594 8.236 5.947 1.00 0.00 H new ATOM 1286 N LEU A 83 4.979 11.755 3.478 1.00 0.00 N ATOM 1287 CA LEU A 83 5.163 12.842 2.519 1.00 0.00 C ATOM 1288 C LEU A 83 4.219 14.034 2.671 1.00 0.00 C ATOM 1289 O LEU A 83 4.565 15.115 2.188 1.00 0.00 O ATOM 1290 CB LEU A 83 4.917 12.299 1.102 1.00 0.00 C ATOM 1291 CG LEU A 83 5.905 11.226 0.631 1.00 0.00 C ATOM 1292 CD1 LEU A 83 5.358 10.618 -0.656 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.298 11.813 0.377 1.00 0.00 C ATOM 0 H LEU A 83 4.189 11.159 3.231 1.00 0.00 H new ATOM 0 HA LEU A 83 6.176 13.198 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.909 11.886 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.950 13.133 0.401 1.00 0.00 H new ATOM 0 HG LEU A 83 6.010 10.469 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.042 9.849 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.382 10.173 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.258 11.396 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.971 11.023 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.234 12.582 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.681 12.252 1.298 1.00 0.00 H new