USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 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 Set 1.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 31 ASN : amide:sc= 1.17 K(o=1.2,f=-0.001) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -0.037 (180deg=-0.131) USER MOD Single : A 18 MET CE :methyl 159:sc= 0 (180deg=-0.889) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.584 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.23) USER MOD Single : A 25 GLN : amide:sc= 0.0518 X(o=0.052,f=-0.073) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= -0.236 (180deg=-0.887) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.23) USER MOD Single : A 47 SER OG : rot 180:sc= 0 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= -0.182 X(o=-0.18,f=-0.28) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.188 K(o=0.19,f=-3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00928) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -164:sc= 0.417 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.668 -0.711 -5.359 1.00 0.00 N ATOM 183 CA LYS A 16 -9.904 -0.303 -6.733 1.00 0.00 C ATOM 184 C LYS A 16 -8.680 -0.750 -7.528 1.00 0.00 C ATOM 185 O LYS A 16 -7.636 -1.041 -6.934 1.00 0.00 O ATOM 186 CB LYS A 16 -10.101 1.221 -6.783 1.00 0.00 C ATOM 187 CG LYS A 16 -11.453 1.672 -6.219 1.00 0.00 C ATOM 188 CD LYS A 16 -12.659 1.490 -7.147 1.00 0.00 C ATOM 189 CE LYS A 16 -12.634 2.385 -8.392 1.00 0.00 C ATOM 190 NZ LYS A 16 -12.482 3.826 -8.076 1.00 0.00 N ATOM 0 HA LYS A 16 -10.803 -0.752 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.301 1.703 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.014 1.559 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.642 1.122 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.380 2.726 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.706 0.448 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.570 1.694 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.814 2.073 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.556 2.239 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.625 4.388 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.188 4.101 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.527 4.001 -7.703 1.00 0.00 H new ATOM 204 N PRO A 17 -8.760 -0.846 -8.861 1.00 0.00 N ATOM 205 CA PRO A 17 -7.606 -1.257 -9.646 1.00 0.00 C ATOM 206 C PRO A 17 -6.506 -0.199 -9.553 1.00 0.00 C ATOM 207 O PRO A 17 -6.764 0.941 -9.162 1.00 0.00 O ATOM 208 CB PRO A 17 -8.127 -1.417 -11.072 1.00 0.00 C ATOM 209 CG PRO A 17 -9.313 -0.452 -11.121 1.00 0.00 C ATOM 210 CD PRO A 17 -9.899 -0.553 -9.716 1.00 0.00 C ATOM 0 HA PRO A 17 -7.162 -2.187 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.367 -1.159 -11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.434 -2.443 -11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.996 0.565 -11.354 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.038 -0.742 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.386 0.377 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.652 -1.339 -9.656 1.00 0.00 H new ATOM 218 N MET A 18 -5.286 -0.588 -9.911 1.00 0.00 N ATOM 219 CA MET A 18 -4.109 0.265 -9.906 1.00 0.00 C ATOM 220 C MET A 18 -3.553 0.186 -11.318 1.00 0.00 C ATOM 221 O MET A 18 -3.248 -0.911 -11.801 1.00 0.00 O ATOM 222 CB MET A 18 -3.091 -0.221 -8.868 1.00 0.00 C ATOM 223 CG MET A 18 -3.658 -0.204 -7.445 1.00 0.00 C ATOM 224 SD MET A 18 -3.983 1.424 -6.727 1.00 0.00 S ATOM 225 CE MET A 18 -2.372 1.784 -5.965 1.00 0.00 C ATOM 0 H MET A 18 -5.086 -1.538 -10.223 1.00 0.00 H new ATOM 0 HA MET A 18 -4.346 1.293 -9.631 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.775 -1.234 -9.119 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.203 0.410 -8.910 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.589 -0.771 -7.442 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.961 -0.732 -6.794 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.273 2.859 -5.813 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.302 1.274 -5.004 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.574 1.436 -6.620 1.00 0.00 H new ATOM 235 N SER A 19 -3.514 1.321 -11.999 1.00 0.00 N ATOM 236 CA SER A 19 -3.017 1.432 -13.364 1.00 0.00 C ATOM 237 C SER A 19 -1.486 1.384 -13.368 1.00 0.00 C ATOM 238 O SER A 19 -0.858 1.489 -12.311 1.00 0.00 O ATOM 239 CB SER A 19 -3.510 2.753 -13.978 1.00 0.00 C ATOM 240 OG SER A 19 -4.853 3.022 -13.623 1.00 0.00 O ATOM 0 H SER A 19 -3.833 2.209 -11.612 1.00 0.00 H new ATOM 0 HA SER A 19 -3.392 0.598 -13.958 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.873 3.571 -13.642 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.422 2.706 -15.063 1.00 0.00 H new ATOM 0 HG SER A 19 -5.135 3.869 -14.028 1.00 0.00 H new ATOM 246 N TYR A 20 -0.869 1.265 -14.546 1.00 0.00 N ATOM 247 CA TYR A 20 0.587 1.237 -14.658 1.00 0.00 C ATOM 248 C TYR A 20 1.157 2.551 -14.117 1.00 0.00 C ATOM 249 O TYR A 20 2.168 2.552 -13.415 1.00 0.00 O ATOM 250 CB TYR A 20 1.001 1.001 -16.111 1.00 0.00 C ATOM 251 CG TYR A 20 2.489 1.167 -16.330 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.385 0.160 -15.927 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.984 2.358 -16.890 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.768 0.336 -16.103 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.363 2.546 -17.058 1.00 0.00 C ATOM 256 CZ TYR A 20 5.264 1.535 -16.663 1.00 0.00 C ATOM 257 OH TYR A 20 6.603 1.739 -16.771 1.00 0.00 O ATOM 0 H TYR A 20 -1.359 1.186 -15.437 1.00 0.00 H new ATOM 0 HA TYR A 20 0.989 0.415 -14.066 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.704 -0.004 -16.410 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.464 1.697 -16.755 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.009 -0.749 -15.482 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.297 3.134 -17.193 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.453 -0.446 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.735 3.464 -17.489 1.00 0.00 H new ATOM 0 HH TYR A 20 6.769 2.614 -17.179 1.00 0.00 H new ATOM 267 N GLU A 21 0.477 3.668 -14.401 1.00 0.00 N ATOM 268 CA GLU A 21 0.905 4.979 -13.939 1.00 0.00 C ATOM 269 C GLU A 21 0.971 5.015 -12.405 1.00 0.00 C ATOM 270 O GLU A 21 1.918 5.593 -11.870 1.00 0.00 O ATOM 271 CB GLU A 21 -0.024 6.085 -14.477 1.00 0.00 C ATOM 272 CG GLU A 21 -0.037 6.195 -16.023 1.00 0.00 C ATOM 273 CD GLU A 21 -1.397 5.946 -16.699 1.00 0.00 C ATOM 274 OE1 GLU A 21 -2.298 5.315 -16.094 1.00 0.00 O ATOM 275 OE2 GLU A 21 -1.555 6.249 -17.902 1.00 0.00 O ATOM 0 H GLU A 21 -0.380 3.681 -14.955 1.00 0.00 H new ATOM 0 HA GLU A 21 1.906 5.167 -14.328 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.039 5.896 -14.127 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.285 7.042 -14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.309 7.191 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.684 5.483 -16.425 1.00 0.00 H new ATOM 282 N GLU A 22 0.003 4.383 -11.724 1.00 0.00 N ATOM 283 CA GLU A 22 -0.094 4.328 -10.264 1.00 0.00 C ATOM 284 C GLU A 22 1.055 3.492 -9.702 1.00 0.00 C ATOM 285 O GLU A 22 1.751 3.901 -8.776 1.00 0.00 O ATOM 286 CB GLU A 22 -1.425 3.678 -9.816 1.00 0.00 C ATOM 287 CG GLU A 22 -2.720 4.281 -10.380 1.00 0.00 C ATOM 288 CD GLU A 22 -3.165 5.542 -9.641 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.431 6.553 -9.670 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.296 5.531 -9.092 1.00 0.00 O ATOM 0 H GLU A 22 -0.754 3.883 -12.191 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.048 5.351 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.396 2.623 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.475 3.724 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.575 4.517 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.514 3.536 -10.326 1.00 0.00 H new ATOM 297 N LYS A 23 1.248 2.299 -10.271 1.00 0.00 N ATOM 298 CA LYS A 23 2.281 1.350 -9.868 1.00 0.00 C ATOM 299 C LYS A 23 3.654 2.010 -9.920 1.00 0.00 C ATOM 300 O LYS A 23 4.420 1.913 -8.965 1.00 0.00 O ATOM 301 CB LYS A 23 2.230 0.135 -10.803 1.00 0.00 C ATOM 302 CG LYS A 23 0.962 -0.702 -10.589 1.00 0.00 C ATOM 303 CD LYS A 23 0.705 -1.619 -11.783 1.00 0.00 C ATOM 304 CE LYS A 23 -0.517 -2.497 -11.506 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.295 -3.914 -11.847 1.00 0.00 N ATOM 0 H LYS A 23 0.674 1.961 -11.044 1.00 0.00 H new ATOM 0 HA LYS A 23 2.103 1.025 -8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.271 0.473 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.108 -0.488 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.064 -1.299 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.107 -0.042 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.541 -1.024 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.579 -2.244 -11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.782 -2.420 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.366 -2.120 -12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.184 -4.441 -11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.030 -3.987 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.427 -4.314 -11.214 1.00 0.00 H new ATOM 319 N ARG A 24 3.979 2.674 -11.033 1.00 0.00 N ATOM 320 CA ARG A 24 5.271 3.332 -11.155 1.00 0.00 C ATOM 321 C ARG A 24 5.385 4.500 -10.194 1.00 0.00 C ATOM 322 O ARG A 24 6.420 4.614 -9.537 1.00 0.00 O ATOM 323 CB ARG A 24 5.526 3.777 -12.596 1.00 0.00 C ATOM 324 CG ARG A 24 5.773 2.627 -13.585 1.00 0.00 C ATOM 325 CD ARG A 24 6.705 1.535 -13.038 1.00 0.00 C ATOM 326 NE ARG A 24 7.343 0.742 -14.095 1.00 0.00 N ATOM 327 CZ ARG A 24 8.107 -0.334 -13.890 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.129 -0.940 -12.711 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.870 -0.814 -14.859 1.00 0.00 N ATOM 0 H ARG A 24 3.372 2.766 -11.848 1.00 0.00 H new ATOM 0 HA ARG A 24 6.040 2.607 -10.888 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.670 4.358 -12.940 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.389 4.443 -12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.817 2.177 -13.852 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.201 3.033 -14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.477 1.998 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.135 0.871 -12.388 1.00 0.00 H new ATOM 0 HE ARG A 24 7.191 1.035 -15.060 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.557 -0.585 -11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.718 -1.761 -12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.878 -0.362 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.450 -1.636 -14.692 1.00 0.00 H new ATOM 343 N GLN A 25 4.360 5.351 -10.105 1.00 0.00 N ATOM 344 CA GLN A 25 4.347 6.509 -9.213 1.00 0.00 C ATOM 345 C GLN A 25 4.644 6.084 -7.772 1.00 0.00 C ATOM 346 O GLN A 25 5.416 6.749 -7.080 1.00 0.00 O ATOM 347 CB GLN A 25 2.989 7.227 -9.322 1.00 0.00 C ATOM 348 CG GLN A 25 2.858 8.424 -8.374 1.00 0.00 C ATOM 349 CD GLN A 25 3.931 9.478 -8.627 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.872 10.218 -9.610 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.960 9.527 -7.800 1.00 0.00 N ATOM 0 H GLN A 25 3.508 5.253 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 25 5.130 7.205 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.847 7.568 -10.348 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.191 6.515 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.873 8.875 -8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.927 8.078 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.994 8.907 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.721 10.184 -7.971 1.00 0.00 H new ATOM 360 N LEU A 26 4.064 4.969 -7.326 1.00 0.00 N ATOM 361 CA LEU A 26 4.272 4.445 -5.983 1.00 0.00 C ATOM 362 C LEU A 26 5.764 4.207 -5.726 1.00 0.00 C ATOM 363 O LEU A 26 6.245 4.505 -4.636 1.00 0.00 O ATOM 364 CB LEU A 26 3.432 3.169 -5.832 1.00 0.00 C ATOM 365 CG LEU A 26 3.533 2.474 -4.466 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.202 3.414 -3.312 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.577 1.279 -4.454 1.00 0.00 C ATOM 0 H LEU A 26 3.433 4.403 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 26 3.947 5.164 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.387 3.418 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.734 2.462 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 26 4.563 2.147 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.288 2.876 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.897 4.253 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.184 3.786 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.637 0.775 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.557 1.627 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.855 0.583 -5.246 1.00 0.00 H new ATOM 379 N SER A 27 6.505 3.704 -6.717 1.00 0.00 N ATOM 380 CA SER A 27 7.933 3.453 -6.567 1.00 0.00 C ATOM 381 C SER A 27 8.701 4.754 -6.348 1.00 0.00 C ATOM 382 O SER A 27 9.616 4.796 -5.522 1.00 0.00 O ATOM 383 CB SER A 27 8.509 2.745 -7.791 1.00 0.00 C ATOM 384 OG SER A 27 9.802 2.267 -7.468 1.00 0.00 O ATOM 0 H SER A 27 6.133 3.463 -7.635 1.00 0.00 H new ATOM 0 HA SER A 27 8.047 2.810 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.864 1.919 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.559 3.431 -8.636 1.00 0.00 H new ATOM 0 HG SER A 27 10.185 1.808 -8.245 1.00 0.00 H new ATOM 390 N LEU A 28 8.366 5.826 -7.072 1.00 0.00 N ATOM 391 CA LEU A 28 9.061 7.096 -6.931 1.00 0.00 C ATOM 392 C LEU A 28 8.991 7.593 -5.495 1.00 0.00 C ATOM 393 O LEU A 28 9.996 8.083 -4.979 1.00 0.00 O ATOM 394 CB LEU A 28 8.463 8.138 -7.879 1.00 0.00 C ATOM 395 CG LEU A 28 8.980 8.103 -9.319 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.473 8.437 -9.395 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.688 6.819 -10.089 1.00 0.00 C ATOM 0 H LEU A 28 7.615 5.833 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 28 10.108 6.942 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.381 8.006 -7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.656 9.129 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 28 8.403 8.881 -9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.801 8.402 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.643 9.436 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.038 7.711 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.096 6.898 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.148 5.975 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.610 6.666 -10.145 1.00 0.00 H new ATOM 409 N ASP A 29 7.827 7.472 -4.858 1.00 0.00 N ATOM 410 CA ASP A 29 7.669 7.902 -3.468 1.00 0.00 C ATOM 411 C ASP A 29 8.298 6.881 -2.523 1.00 0.00 C ATOM 412 O ASP A 29 8.862 7.284 -1.506 1.00 0.00 O ATOM 413 CB ASP A 29 6.217 8.249 -3.121 1.00 0.00 C ATOM 414 CG ASP A 29 5.845 9.683 -3.525 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.710 10.432 -4.034 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.666 10.077 -3.358 1.00 0.00 O ATOM 0 H ASP A 29 6.984 7.082 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 29 8.212 8.838 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.549 7.548 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.063 8.125 -2.049 1.00 0.00 H new ATOM 421 N ILE A 30 8.280 5.580 -2.849 1.00 0.00 N ATOM 422 CA ILE A 30 8.915 4.547 -2.023 1.00 0.00 C ATOM 423 C ILE A 30 10.400 4.914 -1.942 1.00 0.00 C ATOM 424 O ILE A 30 10.993 4.883 -0.867 1.00 0.00 O ATOM 425 CB ILE A 30 8.699 3.135 -2.637 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.332 2.585 -2.192 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.802 2.122 -2.268 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.875 1.322 -2.936 1.00 0.00 C ATOM 0 H ILE A 30 7.827 5.218 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 30 8.477 4.508 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 30 8.739 3.259 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.374 2.366 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.581 3.363 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.583 1.160 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.765 2.487 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.838 2.002 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.903 1.008 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.796 1.536 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.601 0.524 -2.779 1.00 0.00 H new ATOM 440 N ASN A 31 10.998 5.305 -3.073 1.00 0.00 N ATOM 441 CA ASN A 31 12.401 5.683 -3.156 1.00 0.00 C ATOM 442 C ASN A 31 12.702 6.945 -2.355 1.00 0.00 C ATOM 443 O ASN A 31 13.882 7.221 -2.117 1.00 0.00 O ATOM 444 CB ASN A 31 12.855 5.812 -4.617 1.00 0.00 C ATOM 445 CG ASN A 31 13.170 4.438 -5.182 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.311 3.976 -5.138 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.189 3.726 -5.704 1.00 0.00 N ATOM 0 H ASN A 31 10.508 5.366 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 31 12.981 4.880 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.074 6.288 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.736 6.451 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.376 2.793 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.244 4.109 -5.740 1.00 0.00 H new ATOM 454 N LYS A 32 11.703 7.753 -1.977 1.00 0.00 N ATOM 455 CA LYS A 32 11.956 8.938 -1.167 1.00 0.00 C ATOM 456 C LYS A 32 12.209 8.515 0.277 1.00 0.00 C ATOM 457 O LYS A 32 12.763 9.318 1.032 1.00 0.00 O ATOM 458 CB LYS A 32 10.810 9.966 -1.254 1.00 0.00 C ATOM 459 CG LYS A 32 10.717 10.684 -2.609 1.00 0.00 C ATOM 460 CD LYS A 32 12.059 11.326 -2.983 1.00 0.00 C ATOM 461 CE LYS A 32 11.933 12.357 -4.100 1.00 0.00 C ATOM 462 NZ LYS A 32 13.256 12.936 -4.413 1.00 0.00 N ATOM 0 H LYS A 32 10.723 7.605 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 32 12.841 9.437 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.865 9.459 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.942 10.710 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.421 9.974 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.942 11.450 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.486 11.804 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.755 10.546 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.513 11.889 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.244 13.147 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.157 13.637 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.642 13.399 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.902 12.181 -4.719 1.00 0.00 H new ATOM 476 N LEU A 33 11.796 7.315 0.689 1.00 0.00 N ATOM 477 CA LEU A 33 12.012 6.834 2.041 1.00 0.00 C ATOM 478 C LEU A 33 13.457 6.351 2.176 1.00 0.00 C ATOM 479 O LEU A 33 13.982 5.733 1.246 1.00 0.00 O ATOM 480 CB LEU A 33 11.087 5.646 2.355 1.00 0.00 C ATOM 481 CG LEU A 33 9.595 6.007 2.422 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.759 4.727 2.410 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.268 6.796 3.695 1.00 0.00 C ATOM 0 H LEU A 33 11.303 6.654 0.089 1.00 0.00 H new ATOM 0 HA LEU A 33 11.802 7.651 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.229 4.879 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.386 5.209 3.308 1.00 0.00 H new ATOM 0 HG LEU A 33 9.361 6.627 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.701 4.983 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.957 4.172 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.022 4.112 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.205 7.036 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.518 6.196 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.848 7.719 3.710 1.00 0.00 H new ATOM 495 N PRO A 34 14.110 6.614 3.317 1.00 0.00 N ATOM 496 CA PRO A 34 15.467 6.148 3.555 1.00 0.00 C ATOM 497 C PRO A 34 15.430 4.642 3.807 1.00 0.00 C ATOM 498 O PRO A 34 14.373 4.094 4.125 1.00 0.00 O ATOM 499 CB PRO A 34 15.910 6.840 4.843 1.00 0.00 C ATOM 500 CG PRO A 34 14.603 7.031 5.591 1.00 0.00 C ATOM 501 CD PRO A 34 13.615 7.342 4.473 1.00 0.00 C ATOM 0 HA PRO A 34 16.130 6.359 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.614 6.229 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.403 7.791 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.319 6.136 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.666 7.845 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.607 7.023 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.569 8.413 4.274 1.00 0.00 H new ATOM 509 N GLY A 35 16.591 3.987 3.784 1.00 0.00 N ATOM 510 CA GLY A 35 16.695 2.557 4.036 1.00 0.00 C ATOM 511 C GLY A 35 16.060 2.190 5.383 1.00 0.00 C ATOM 512 O GLY A 35 15.285 1.239 5.466 1.00 0.00 O ATOM 0 H GLY A 35 17.485 4.438 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.202 2.006 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.743 2.258 4.030 1.00 0.00 H new ATOM 516 N GLU A 36 16.286 3.010 6.421 1.00 0.00 N ATOM 517 CA GLU A 36 15.738 2.785 7.762 1.00 0.00 C ATOM 518 C GLU A 36 14.198 2.765 7.779 1.00 0.00 C ATOM 519 O GLU A 36 13.601 2.192 8.694 1.00 0.00 O ATOM 520 CB GLU A 36 16.341 3.776 8.775 1.00 0.00 C ATOM 521 CG GLU A 36 15.790 5.200 8.672 1.00 0.00 C ATOM 522 CD GLU A 36 16.511 6.150 9.624 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.684 6.488 9.364 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.908 6.547 10.648 1.00 0.00 O ATOM 0 H GLU A 36 16.858 3.852 6.350 1.00 0.00 H new ATOM 0 HA GLU A 36 16.037 1.785 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.160 3.402 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.422 3.807 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.897 5.559 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.724 5.196 8.899 1.00 0.00 H new ATOM 531 N LYS A 37 13.525 3.341 6.772 1.00 0.00 N ATOM 532 CA LYS A 37 12.058 3.349 6.672 1.00 0.00 C ATOM 533 C LYS A 37 11.577 2.487 5.498 1.00 0.00 C ATOM 534 O LYS A 37 10.374 2.273 5.353 1.00 0.00 O ATOM 535 CB LYS A 37 11.539 4.788 6.560 1.00 0.00 C ATOM 536 CG LYS A 37 12.066 5.662 7.708 1.00 0.00 C ATOM 537 CD LYS A 37 11.590 7.120 7.669 1.00 0.00 C ATOM 538 CE LYS A 37 10.408 7.363 8.603 1.00 0.00 C ATOM 539 NZ LYS A 37 10.745 7.042 10.006 1.00 0.00 N ATOM 0 H LYS A 37 13.987 3.818 5.998 1.00 0.00 H new ATOM 0 HA LYS A 37 11.649 2.911 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.846 5.214 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.449 4.786 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.760 5.218 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.156 5.648 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.413 7.777 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.306 7.381 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.097 8.405 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.561 6.755 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.214 7.670 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.493 6.053 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.765 7.177 10.158 1.00 0.00 H new ATOM 553 N LEU A 38 12.489 1.994 4.657 1.00 0.00 N ATOM 554 CA LEU A 38 12.183 1.168 3.498 1.00 0.00 C ATOM 555 C LEU A 38 11.773 -0.236 3.931 1.00 0.00 C ATOM 556 O LEU A 38 10.843 -0.788 3.352 1.00 0.00 O ATOM 557 CB LEU A 38 13.366 1.163 2.524 1.00 0.00 C ATOM 558 CG LEU A 38 13.105 0.401 1.210 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.811 0.810 0.499 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.258 0.689 0.253 1.00 0.00 C ATOM 0 H LEU A 38 13.488 2.166 4.771 1.00 0.00 H new ATOM 0 HA LEU A 38 11.331 1.593 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.629 2.194 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.229 0.720 3.022 1.00 0.00 H new ATOM 0 HG LEU A 38 13.016 -0.653 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.700 0.229 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.961 0.621 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.851 1.871 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.093 0.159 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.311 1.760 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.194 0.354 0.700 1.00 0.00 H new ATOM 572 N GLY A 39 12.389 -0.816 4.965 1.00 0.00 N ATOM 573 CA GLY A 39 12.008 -2.148 5.444 1.00 0.00 C ATOM 574 C GLY A 39 10.523 -2.143 5.839 1.00 0.00 C ATOM 575 O GLY A 39 9.783 -3.103 5.594 1.00 0.00 O ATOM 0 H GLY A 39 13.153 -0.385 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.186 -2.891 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.622 -2.428 6.300 1.00 0.00 H new ATOM 579 N ARG A 40 10.046 -1.008 6.367 1.00 0.00 N ATOM 580 CA ARG A 40 8.663 -0.804 6.779 1.00 0.00 C ATOM 581 C ARG A 40 7.703 -0.928 5.597 1.00 0.00 C ATOM 582 O ARG A 40 6.528 -1.238 5.810 1.00 0.00 O ATOM 583 CB ARG A 40 8.506 0.570 7.452 1.00 0.00 C ATOM 584 CG ARG A 40 7.523 0.457 8.621 1.00 0.00 C ATOM 585 CD ARG A 40 8.200 -0.182 9.835 1.00 0.00 C ATOM 586 NE ARG A 40 8.307 0.753 10.965 1.00 0.00 N ATOM 587 CZ ARG A 40 7.608 0.712 12.108 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.676 -0.215 12.310 1.00 0.00 N ATOM 589 NH2 ARG A 40 7.842 1.618 13.053 1.00 0.00 N ATOM 0 H ARG A 40 10.633 -0.188 6.521 1.00 0.00 H new ATOM 0 HA ARG A 40 8.409 -1.584 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.473 0.924 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.145 1.302 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.149 1.446 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.662 -0.140 8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.634 -1.061 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.195 -0.527 9.555 1.00 0.00 H new ATOM 0 HE ARG A 40 8.983 1.511 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.483 -0.910 11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.154 -0.231 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.549 2.338 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.314 1.593 13.925 1.00 0.00 H new ATOM 603 N VAL A 41 8.162 -0.643 4.376 1.00 0.00 N ATOM 604 CA VAL A 41 7.372 -0.759 3.161 1.00 0.00 C ATOM 605 C VAL A 41 7.083 -2.243 2.980 1.00 0.00 C ATOM 606 O VAL A 41 5.914 -2.621 2.947 1.00 0.00 O ATOM 607 CB VAL A 41 8.117 -0.187 1.938 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.365 -0.352 0.612 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.454 1.299 2.138 1.00 0.00 C ATOM 0 H VAL A 41 9.114 -0.319 4.207 1.00 0.00 H new ATOM 0 HA VAL A 41 6.451 -0.182 3.245 1.00 0.00 H new ATOM 0 HB VAL A 41 9.030 -0.778 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.956 0.076 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.198 -1.411 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.406 0.162 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.979 1.674 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.533 1.865 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.089 1.413 3.016 1.00 0.00 H new ATOM 619 N VAL A 42 8.131 -3.075 2.923 1.00 0.00 N ATOM 620 CA VAL A 42 8.033 -4.519 2.735 1.00 0.00 C ATOM 621 C VAL A 42 7.081 -5.151 3.754 1.00 0.00 C ATOM 622 O VAL A 42 6.308 -6.042 3.402 1.00 0.00 O ATOM 623 CB VAL A 42 9.425 -5.190 2.736 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.330 -6.529 1.995 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.532 -4.353 2.068 1.00 0.00 C ATOM 0 H VAL A 42 9.094 -2.749 3.009 1.00 0.00 H new ATOM 0 HA VAL A 42 7.604 -4.696 1.749 1.00 0.00 H new ATOM 0 HB VAL A 42 9.703 -5.309 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.307 -7.012 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.610 -7.173 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.005 -6.355 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.476 -4.897 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.269 -4.166 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.636 -3.403 2.592 1.00 0.00 H new ATOM 635 N HIS A 43 7.074 -4.659 4.996 1.00 0.00 N ATOM 636 CA HIS A 43 6.201 -5.176 6.044 1.00 0.00 C ATOM 637 C HIS A 43 4.717 -5.105 5.672 1.00 0.00 C ATOM 638 O HIS A 43 3.943 -5.965 6.089 1.00 0.00 O ATOM 639 CB HIS A 43 6.483 -4.463 7.370 1.00 0.00 C ATOM 640 CG HIS A 43 7.246 -5.374 8.282 1.00 0.00 C ATOM 641 ND1 HIS A 43 6.680 -6.336 9.083 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.604 -5.529 8.319 1.00 0.00 C ATOM 643 CE1 HIS A 43 7.681 -7.046 9.622 1.00 0.00 C ATOM 644 NE2 HIS A 43 8.872 -6.587 9.196 1.00 0.00 N ATOM 0 H HIS A 43 7.674 -3.892 5.299 1.00 0.00 H new ATOM 0 HA HIS A 43 6.429 -6.235 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.054 -3.552 7.190 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.546 -4.164 7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.332 -4.946 7.775 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.550 -7.873 10.304 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.791 -6.941 9.461 1.00 0.00 H new ATOM 652 N ILE A 44 4.299 -4.110 4.889 1.00 0.00 N ATOM 653 CA ILE A 44 2.906 -3.991 4.472 1.00 0.00 C ATOM 654 C ILE A 44 2.619 -5.142 3.501 1.00 0.00 C ATOM 655 O ILE A 44 1.538 -5.734 3.549 1.00 0.00 O ATOM 656 CB ILE A 44 2.709 -2.601 3.858 1.00 0.00 C ATOM 657 CG1 ILE A 44 2.956 -1.510 4.918 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.323 -2.409 3.224 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.465 -0.202 4.313 1.00 0.00 C ATOM 0 H ILE A 44 4.908 -3.374 4.531 1.00 0.00 H new ATOM 0 HA ILE A 44 2.200 -4.074 5.299 1.00 0.00 H new ATOM 0 HB ILE A 44 3.439 -2.513 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.029 -1.319 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.681 -1.875 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.249 -1.404 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.182 -3.142 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.553 -2.544 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.621 0.529 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.407 -0.383 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.730 0.182 3.605 1.00 0.00 H new ATOM 671 N ILE A 45 3.562 -5.472 2.605 1.00 0.00 N ATOM 672 CA ILE A 45 3.361 -6.581 1.683 1.00 0.00 C ATOM 673 C ILE A 45 3.263 -7.853 2.533 1.00 0.00 C ATOM 674 O ILE A 45 2.381 -8.663 2.267 1.00 0.00 O ATOM 675 CB ILE A 45 4.427 -6.666 0.568 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.439 -5.405 -0.329 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.071 -7.861 -0.323 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.593 -4.460 -0.007 1.00 0.00 C ATOM 0 H ILE A 45 4.456 -4.990 2.506 1.00 0.00 H new ATOM 0 HA ILE A 45 2.439 -6.432 1.121 1.00 0.00 H new ATOM 0 HB ILE A 45 5.406 -6.762 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.505 -5.709 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.496 -4.872 -0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.806 -7.950 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.072 -8.773 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.081 -7.711 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.550 -3.594 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.515 -4.130 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.540 -4.980 -0.152 1.00 0.00 H new ATOM 690 N GLN A 46 4.062 -8.006 3.600 1.00 0.00 N ATOM 691 CA GLN A 46 3.990 -9.188 4.462 1.00 0.00 C ATOM 692 C GLN A 46 2.591 -9.357 5.074 1.00 0.00 C ATOM 693 O GLN A 46 2.264 -10.438 5.566 1.00 0.00 O ATOM 694 CB GLN A 46 5.037 -9.154 5.583 1.00 0.00 C ATOM 695 CG GLN A 46 6.484 -9.146 5.078 1.00 0.00 C ATOM 696 CD GLN A 46 7.455 -9.712 6.117 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.327 -9.474 7.318 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.403 -10.517 5.675 1.00 0.00 N ATOM 0 H GLN A 46 4.765 -7.323 3.884 1.00 0.00 H new ATOM 0 HA GLN A 46 4.203 -10.043 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.871 -8.268 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.892 -10.020 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.552 -9.732 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.775 -8.126 4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.491 -10.701 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.047 -10.956 6.333 1.00 0.00 H new ATOM 707 N SER A 47 1.764 -8.308 5.123 1.00 0.00 N ATOM 708 CA SER A 47 0.411 -8.394 5.647 1.00 0.00 C ATOM 709 C SER A 47 -0.465 -9.054 4.583 1.00 0.00 C ATOM 710 O SER A 47 -1.200 -10.004 4.842 1.00 0.00 O ATOM 711 CB SER A 47 -0.099 -6.975 5.979 1.00 0.00 C ATOM 712 OG SER A 47 -1.310 -6.995 6.714 1.00 0.00 O ATOM 0 H SER A 47 2.021 -7.376 4.798 1.00 0.00 H new ATOM 0 HA SER A 47 0.381 -8.987 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.661 -6.443 6.551 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.248 -6.419 5.053 1.00 0.00 H new ATOM 0 HG SER A 47 -1.593 -6.076 6.903 1.00 0.00 H new ATOM 718 N ARG A 48 -0.358 -8.555 3.359 1.00 0.00 N ATOM 719 CA ARG A 48 -1.106 -8.982 2.195 1.00 0.00 C ATOM 720 C ARG A 48 -0.720 -10.314 1.584 1.00 0.00 C ATOM 721 O ARG A 48 -1.607 -11.021 1.101 1.00 0.00 O ATOM 722 CB ARG A 48 -0.879 -7.906 1.135 1.00 0.00 C ATOM 723 CG ARG A 48 -1.536 -6.566 1.501 1.00 0.00 C ATOM 724 CD ARG A 48 -3.061 -6.514 1.372 1.00 0.00 C ATOM 725 NE ARG A 48 -3.594 -7.287 0.239 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.891 -7.484 -0.002 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.798 -6.787 0.666 1.00 0.00 N ATOM 728 NH2 ARG A 48 -5.258 -8.366 -0.922 1.00 0.00 N ATOM 0 H ARG A 48 0.292 -7.798 3.145 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.137 -9.117 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.192 -7.756 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.276 -8.252 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.269 -6.321 2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.110 -5.789 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.506 -6.887 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.371 -5.474 1.267 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.924 -7.702 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.504 -6.102 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.791 -6.935 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.550 -8.888 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.248 -8.523 -1.112 1.00 0.00 H new ATOM 742 N GLU A 49 0.557 -10.660 1.606 1.00 0.00 N ATOM 743 CA GLU A 49 1.098 -11.866 0.995 1.00 0.00 C ATOM 744 C GLU A 49 1.658 -12.797 2.080 1.00 0.00 C ATOM 745 O GLU A 49 2.709 -12.496 2.653 1.00 0.00 O ATOM 746 CB GLU A 49 2.175 -11.450 -0.029 1.00 0.00 C ATOM 747 CG GLU A 49 1.834 -10.283 -0.985 1.00 0.00 C ATOM 748 CD GLU A 49 0.604 -10.422 -1.896 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.461 -11.466 -2.579 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.221 -9.473 -1.958 1.00 0.00 O ATOM 0 H GLU A 49 1.269 -10.092 2.064 1.00 0.00 H new ATOM 0 HA GLU A 49 0.318 -12.421 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.077 -11.182 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.418 -12.322 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.700 -9.386 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.702 -10.111 -1.622 1.00 0.00 H new ATOM 757 N PRO A 50 0.992 -13.920 2.406 1.00 0.00 N ATOM 758 CA PRO A 50 1.468 -14.831 3.440 1.00 0.00 C ATOM 759 C PRO A 50 2.798 -15.503 3.093 1.00 0.00 C ATOM 760 O PRO A 50 3.636 -15.643 3.983 1.00 0.00 O ATOM 761 CB PRO A 50 0.340 -15.846 3.655 1.00 0.00 C ATOM 762 CG PRO A 50 -0.396 -15.856 2.317 1.00 0.00 C ATOM 763 CD PRO A 50 -0.253 -14.414 1.833 1.00 0.00 C ATOM 0 HA PRO A 50 1.690 -14.283 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.731 -16.832 3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.317 -15.548 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.050 -16.562 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.442 -16.140 2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.227 -14.369 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.099 -13.808 2.157 1.00 0.00 H new ATOM 771 N SER A 51 3.042 -15.905 1.840 1.00 0.00 N ATOM 772 CA SER A 51 4.301 -16.561 1.488 1.00 0.00 C ATOM 773 C SER A 51 5.498 -15.605 1.570 1.00 0.00 C ATOM 774 O SER A 51 6.638 -16.065 1.585 1.00 0.00 O ATOM 775 CB SER A 51 4.208 -17.254 0.123 1.00 0.00 C ATOM 776 OG SER A 51 5.066 -18.380 0.131 1.00 0.00 O ATOM 0 H SER A 51 2.391 -15.788 1.063 1.00 0.00 H new ATOM 0 HA SER A 51 4.478 -17.336 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.181 -17.562 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.494 -16.565 -0.672 1.00 0.00 H new ATOM 0 HG SER A 51 5.016 -18.835 -0.735 1.00 0.00 H new ATOM 782 N LEU A 52 5.276 -14.288 1.623 1.00 0.00 N ATOM 783 CA LEU A 52 6.356 -13.309 1.738 1.00 0.00 C ATOM 784 C LEU A 52 6.500 -12.855 3.191 1.00 0.00 C ATOM 785 O LEU A 52 7.373 -12.045 3.504 1.00 0.00 O ATOM 786 CB LEU A 52 6.151 -12.138 0.759 1.00 0.00 C ATOM 787 CG LEU A 52 6.587 -12.393 -0.701 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.764 -13.359 -0.891 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.421 -12.902 -1.554 1.00 0.00 C ATOM 0 H LEU A 52 4.345 -13.874 1.587 1.00 0.00 H new ATOM 0 HA LEU A 52 7.297 -13.778 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.095 -11.870 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.700 -11.275 1.136 1.00 0.00 H new ATOM 0 HG LEU A 52 6.928 -11.410 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.982 -13.462 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.642 -12.968 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.505 -14.334 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.764 -13.071 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.047 -13.837 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.622 -12.161 -1.557 1.00 0.00 H new ATOM 801 N LYS A 53 5.617 -13.306 4.088 1.00 0.00 N ATOM 802 CA LYS A 53 5.685 -12.968 5.498 1.00 0.00 C ATOM 803 C LYS A 53 6.790 -13.822 6.104 1.00 0.00 C ATOM 804 O LYS A 53 7.096 -14.901 5.596 1.00 0.00 O ATOM 805 CB LYS A 53 4.331 -13.248 6.164 1.00 0.00 C ATOM 806 CG LYS A 53 4.286 -12.752 7.615 1.00 0.00 C ATOM 807 CD LYS A 53 2.898 -12.939 8.213 1.00 0.00 C ATOM 808 CE LYS A 53 2.900 -12.446 9.660 1.00 0.00 C ATOM 809 NZ LYS A 53 1.602 -12.692 10.313 1.00 0.00 N ATOM 0 H LYS A 53 4.836 -13.917 3.848 1.00 0.00 H new ATOM 0 HA LYS A 53 5.905 -11.911 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.539 -12.764 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.131 -14.319 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.019 -13.295 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.563 -11.698 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.161 -12.387 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.612 -13.990 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.690 -12.950 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.124 -11.380 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.636 -12.346 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.852 -12.191 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.401 -13.712 10.312 1.00 0.00 H new ATOM 823 N ASN A 54 7.352 -13.372 7.226 1.00 0.00 N ATOM 824 CA ASN A 54 8.416 -14.025 7.993 1.00 0.00 C ATOM 825 C ASN A 54 9.775 -13.921 7.301 1.00 0.00 C ATOM 826 O ASN A 54 10.794 -14.042 7.983 1.00 0.00 O ATOM 827 CB ASN A 54 8.096 -15.493 8.353 1.00 0.00 C ATOM 828 CG ASN A 54 6.627 -15.749 8.679 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.079 -15.215 9.642 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.943 -16.537 7.865 1.00 0.00 N ATOM 0 H ASN A 54 7.061 -12.491 7.649 1.00 0.00 H new ATOM 0 HA ASN A 54 8.472 -13.474 8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.389 -16.132 7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.704 -15.787 9.209 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.951 -16.707 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.407 -16.975 7.069 1.00 0.00 H new ATOM 837 N SER A 55 9.788 -13.681 5.989 1.00 0.00 N ATOM 838 CA SER A 55 10.954 -13.528 5.141 1.00 0.00 C ATOM 839 C SER A 55 11.642 -12.185 5.431 1.00 0.00 C ATOM 840 O SER A 55 11.084 -11.315 6.111 1.00 0.00 O ATOM 841 CB SER A 55 10.491 -13.647 3.678 1.00 0.00 C ATOM 842 OG SER A 55 9.673 -14.795 3.516 1.00 0.00 O ATOM 0 H SER A 55 8.920 -13.583 5.462 1.00 0.00 H new ATOM 0 HA SER A 55 11.693 -14.305 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.938 -12.753 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.357 -13.712 3.019 1.00 0.00 H new ATOM 0 HG SER A 55 9.382 -14.861 2.582 1.00 0.00 H new ATOM 848 N ASN A 56 12.867 -12.027 4.937 1.00 0.00 N ATOM 849 CA ASN A 56 13.686 -10.831 5.111 1.00 0.00 C ATOM 850 C ASN A 56 13.296 -9.784 4.061 1.00 0.00 C ATOM 851 O ASN A 56 13.010 -10.171 2.929 1.00 0.00 O ATOM 852 CB ASN A 56 15.163 -11.226 4.931 1.00 0.00 C ATOM 853 CG ASN A 56 16.113 -10.609 5.945 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.707 -10.113 6.993 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.398 -10.684 5.670 1.00 0.00 N ATOM 0 H ASN A 56 13.331 -12.750 4.388 1.00 0.00 H new ATOM 0 HA ASN A 56 13.531 -10.408 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.245 -12.311 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.483 -10.936 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.084 -10.325 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.708 -11.101 4.792 1.00 0.00 H new ATOM 862 N PRO A 57 13.343 -8.469 4.345 1.00 0.00 N ATOM 863 CA PRO A 57 12.963 -7.461 3.365 1.00 0.00 C ATOM 864 C PRO A 57 13.882 -7.439 2.144 1.00 0.00 C ATOM 865 O PRO A 57 13.411 -7.172 1.045 1.00 0.00 O ATOM 866 CB PRO A 57 12.945 -6.125 4.110 1.00 0.00 C ATOM 867 CG PRO A 57 13.860 -6.358 5.305 1.00 0.00 C ATOM 868 CD PRO A 57 13.665 -7.840 5.610 1.00 0.00 C ATOM 0 HA PRO A 57 11.981 -7.687 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.309 -5.312 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.937 -5.857 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.899 -6.129 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.582 -5.732 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.568 -8.272 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.864 -7.987 6.334 1.00 0.00 H new ATOM 876 N ASP A 58 15.172 -7.728 2.319 1.00 0.00 N ATOM 877 CA ASP A 58 16.154 -7.744 1.230 1.00 0.00 C ATOM 878 C ASP A 58 16.093 -9.028 0.393 1.00 0.00 C ATOM 879 O ASP A 58 16.838 -9.172 -0.568 1.00 0.00 O ATOM 880 CB ASP A 58 17.564 -7.551 1.804 1.00 0.00 C ATOM 881 CG ASP A 58 18.587 -7.281 0.698 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.398 -6.309 -0.064 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.640 -7.966 0.635 1.00 0.00 O ATOM 0 H ASP A 58 15.570 -7.960 3.229 1.00 0.00 H new ATOM 0 HA ASP A 58 15.908 -6.921 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.560 -6.720 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.856 -8.441 2.362 1.00 0.00 H new ATOM 888 N GLU A 59 15.217 -9.969 0.751 1.00 0.00 N ATOM 889 CA GLU A 59 15.053 -11.248 0.060 1.00 0.00 C ATOM 890 C GLU A 59 13.684 -11.336 -0.628 1.00 0.00 C ATOM 891 O GLU A 59 13.372 -12.347 -1.263 1.00 0.00 O ATOM 892 CB GLU A 59 15.284 -12.374 1.081 1.00 0.00 C ATOM 893 CG GLU A 59 16.769 -12.465 1.480 1.00 0.00 C ATOM 894 CD GLU A 59 16.978 -13.170 2.817 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.393 -14.251 3.052 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.754 -12.657 3.665 1.00 0.00 O ATOM 0 H GLU A 59 14.588 -9.860 1.547 1.00 0.00 H new ATOM 0 HA GLU A 59 15.786 -11.346 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.676 -12.195 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.959 -13.325 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.318 -12.998 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.189 -11.460 1.534 1.00 0.00 H new ATOM 903 N ILE A 60 12.863 -10.290 -0.509 1.00 0.00 N ATOM 904 CA ILE A 60 11.534 -10.182 -1.096 1.00 0.00 C ATOM 905 C ILE A 60 11.650 -9.225 -2.276 1.00 0.00 C ATOM 906 O ILE A 60 12.194 -8.127 -2.132 1.00 0.00 O ATOM 907 CB ILE A 60 10.533 -9.644 -0.044 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.308 -10.667 1.087 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.177 -9.277 -0.677 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.779 -10.014 2.371 1.00 0.00 C ATOM 0 H ILE A 60 13.122 -9.460 0.024 1.00 0.00 H new ATOM 0 HA ILE A 60 11.166 -11.153 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 60 10.977 -8.740 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.601 -11.426 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.246 -11.178 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.504 -8.904 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.325 -8.506 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.741 -10.161 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.638 -10.778 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.497 -9.274 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.826 -9.526 2.165 1.00 0.00 H new ATOM 922 N GLU A 61 11.226 -9.651 -3.460 1.00 0.00 N ATOM 923 CA GLU A 61 11.246 -8.794 -4.644 1.00 0.00 C ATOM 924 C GLU A 61 9.943 -7.990 -4.618 1.00 0.00 C ATOM 925 O GLU A 61 8.909 -8.498 -4.172 1.00 0.00 O ATOM 926 CB GLU A 61 11.401 -9.604 -5.942 1.00 0.00 C ATOM 927 CG GLU A 61 10.369 -10.728 -6.149 1.00 0.00 C ATOM 928 CD GLU A 61 11.041 -12.097 -6.243 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.557 -12.596 -5.210 1.00 0.00 O ATOM 930 OE2 GLU A 61 11.026 -12.705 -7.336 1.00 0.00 O ATOM 0 H GLU A 61 10.862 -10.589 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 61 12.110 -8.129 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.340 -8.918 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.399 -10.043 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.658 -10.727 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.800 -10.538 -7.059 1.00 0.00 H new ATOM 937 N ILE A 62 9.965 -6.736 -5.068 1.00 0.00 N ATOM 938 CA ILE A 62 8.784 -5.886 -5.097 1.00 0.00 C ATOM 939 C ILE A 62 8.372 -5.821 -6.567 1.00 0.00 C ATOM 940 O ILE A 62 9.008 -5.126 -7.359 1.00 0.00 O ATOM 941 CB ILE A 62 9.062 -4.504 -4.454 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.774 -4.607 -3.083 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.722 -3.769 -4.296 1.00 0.00 C ATOM 944 CD1 ILE A 62 10.087 -3.248 -2.447 1.00 0.00 C ATOM 0 H ILE A 62 10.807 -6.283 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 62 7.965 -6.284 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 62 9.738 -3.955 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.148 -5.182 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.703 -5.163 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.894 -2.792 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.260 -3.640 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.060 -4.353 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.585 -3.400 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.739 -2.678 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.159 -2.698 -2.290 1.00 0.00 H new ATOM 956 N ASP A 63 7.328 -6.553 -6.945 1.00 0.00 N ATOM 957 CA ASP A 63 6.802 -6.617 -8.310 1.00 0.00 C ATOM 958 C ASP A 63 5.390 -6.064 -8.249 1.00 0.00 C ATOM 959 O ASP A 63 4.553 -6.579 -7.511 1.00 0.00 O ATOM 960 CB ASP A 63 6.794 -8.060 -8.836 1.00 0.00 C ATOM 961 CG ASP A 63 7.995 -8.401 -9.719 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.284 -7.621 -10.660 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.591 -9.482 -9.525 1.00 0.00 O ATOM 0 H ASP A 63 6.807 -7.137 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 63 7.427 -6.041 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.771 -8.746 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.879 -8.225 -9.404 1.00 0.00 H new ATOM 968 N PHE A 64 5.094 -4.988 -8.977 1.00 0.00 N ATOM 969 CA PHE A 64 3.761 -4.396 -8.944 1.00 0.00 C ATOM 970 C PHE A 64 2.836 -5.136 -9.912 1.00 0.00 C ATOM 971 O PHE A 64 1.665 -4.785 -10.066 1.00 0.00 O ATOM 972 CB PHE A 64 3.837 -2.893 -9.262 1.00 0.00 C ATOM 973 CG PHE A 64 4.897 -2.094 -8.512 1.00 0.00 C ATOM 974 CD1 PHE A 64 5.039 -2.210 -7.117 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.755 -1.225 -9.213 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.043 -1.489 -6.445 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.782 -0.535 -8.547 1.00 0.00 C ATOM 978 CZ PHE A 64 6.931 -0.669 -7.156 1.00 0.00 C ATOM 0 H PHE A 64 5.755 -4.513 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 64 3.344 -4.498 -7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.016 -2.779 -10.331 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.863 -2.450 -9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.375 -2.855 -6.560 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.622 -1.087 -10.276 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.131 -1.568 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.457 0.098 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.722 -0.145 -6.640 1.00 0.00 H new ATOM 988 N GLU A 65 3.353 -6.177 -10.566 1.00 0.00 N ATOM 989 CA GLU A 65 2.655 -6.993 -11.532 1.00 0.00 C ATOM 990 C GLU A 65 2.153 -8.327 -10.967 1.00 0.00 C ATOM 991 O GLU A 65 1.350 -8.987 -11.631 1.00 0.00 O ATOM 992 CB GLU A 65 3.564 -7.120 -12.754 1.00 0.00 C ATOM 993 CG GLU A 65 4.543 -8.298 -12.710 1.00 0.00 C ATOM 994 CD GLU A 65 5.409 -8.291 -13.963 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.403 -7.528 -14.019 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.057 -9.004 -14.930 1.00 0.00 O ATOM 0 H GLU A 65 4.316 -6.480 -10.422 1.00 0.00 H new ATOM 0 HA GLU A 65 1.723 -6.511 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.941 -7.217 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.133 -6.197 -12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.171 -8.229 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.994 -9.237 -12.640 1.00 0.00 H new ATOM 1003 N THR A 66 2.584 -8.720 -9.765 1.00 0.00 N ATOM 1004 CA THR A 66 2.162 -9.957 -9.099 1.00 0.00 C ATOM 1005 C THR A 66 1.383 -9.600 -7.828 1.00 0.00 C ATOM 1006 O THR A 66 0.467 -10.323 -7.425 1.00 0.00 O ATOM 1007 CB THR A 66 3.354 -10.889 -8.839 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.364 -10.227 -8.106 1.00 0.00 O ATOM 1009 CG2 THR A 66 3.930 -11.397 -10.160 1.00 0.00 C ATOM 0 H THR A 66 3.250 -8.176 -9.216 1.00 0.00 H new ATOM 0 HA THR A 66 1.495 -10.520 -9.752 1.00 0.00 H new ATOM 0 HB THR A 66 2.995 -11.735 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.112 -10.841 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.774 -12.056 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.162 -11.946 -10.704 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.265 -10.551 -10.760 1.00 0.00 H new ATOM 1017 N LEU A 67 1.708 -8.458 -7.211 1.00 0.00 N ATOM 1018 CA LEU A 67 1.043 -7.981 -6.011 1.00 0.00 C ATOM 1019 C LEU A 67 -0.349 -7.495 -6.383 1.00 0.00 C ATOM 1020 O LEU A 67 -0.588 -7.001 -7.492 1.00 0.00 O ATOM 1021 CB LEU A 67 1.850 -6.852 -5.361 1.00 0.00 C ATOM 1022 CG LEU A 67 3.182 -7.342 -4.769 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.941 -6.139 -4.216 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.971 -8.383 -3.672 1.00 0.00 C ATOM 0 H LEU A 67 2.449 -7.839 -7.541 1.00 0.00 H new ATOM 0 HA LEU A 67 0.966 -8.794 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.049 -6.079 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.254 -6.392 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 67 3.758 -7.825 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.889 -6.470 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.132 -5.428 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.345 -5.658 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.938 -8.702 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.380 -7.948 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.444 -9.244 -4.084 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.278 -7.621 -5.440 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.658 -7.215 -5.659 1.00 0.00 C ATOM 1038 C LYS A 68 -2.831 -5.704 -5.592 1.00 0.00 C ATOM 1039 O LYS A 68 -2.079 -5.028 -4.894 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.564 -7.900 -4.620 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.616 -9.389 -4.953 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.658 -10.165 -4.149 1.00 0.00 C ATOM 1043 CE LYS A 68 -4.309 -11.654 -4.126 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.258 -12.287 -5.457 1.00 0.00 N ATOM 0 H LYS A 68 -1.096 -8.004 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.943 -7.525 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.174 -7.747 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.565 -7.469 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.829 -9.507 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.634 -9.826 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.703 -9.779 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.646 -10.023 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.342 -11.781 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.044 -12.178 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.083 -13.307 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.164 -12.141 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.491 -11.861 -6.015 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.894 -5.171 -6.218 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.198 -3.747 -6.200 1.00 0.00 C ATOM 1060 C PRO A 69 -4.338 -3.238 -4.762 1.00 0.00 C ATOM 1061 O PRO A 69 -3.811 -2.178 -4.429 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.508 -3.607 -6.986 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.093 -5.021 -7.016 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.842 -5.872 -7.070 1.00 0.00 C ATOM 0 HA PRO A 69 -3.404 -3.149 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.188 -2.907 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.328 -3.231 -7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.694 -5.234 -6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.734 -5.180 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.032 -6.882 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.468 -5.965 -8.089 1.00 0.00 H new ATOM 1072 N SER A 70 -5.021 -4.007 -3.903 1.00 0.00 N ATOM 1073 CA SER A 70 -5.216 -3.627 -2.509 1.00 0.00 C ATOM 1074 C SER A 70 -3.873 -3.569 -1.763 1.00 0.00 C ATOM 1075 O SER A 70 -3.731 -2.779 -0.832 1.00 0.00 O ATOM 1076 CB SER A 70 -6.222 -4.587 -1.869 1.00 0.00 C ATOM 1077 OG SER A 70 -6.612 -4.183 -0.575 1.00 0.00 O ATOM 0 H SER A 70 -5.447 -4.898 -4.157 1.00 0.00 H new ATOM 0 HA SER A 70 -5.630 -2.621 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.105 -4.659 -2.504 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.785 -5.584 -1.818 1.00 0.00 H new ATOM 0 HG SER A 70 -7.255 -4.827 -0.211 1.00 0.00 H new ATOM 1083 N THR A 71 -2.874 -4.371 -2.155 1.00 0.00 N ATOM 1084 CA THR A 71 -1.568 -4.342 -1.519 1.00 0.00 C ATOM 1085 C THR A 71 -0.957 -2.961 -1.772 1.00 0.00 C ATOM 1086 O THR A 71 -0.560 -2.277 -0.828 1.00 0.00 O ATOM 1087 CB THR A 71 -0.696 -5.513 -2.040 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.392 -6.741 -1.852 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.693 -5.559 -1.393 1.00 0.00 C ATOM 0 H THR A 71 -2.955 -5.048 -2.914 1.00 0.00 H new ATOM 0 HA THR A 71 -1.640 -4.487 -0.441 1.00 0.00 H new ATOM 0 HB THR A 71 -0.523 -5.349 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.765 -7.489 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.256 -6.400 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.224 -4.631 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.588 -5.679 -0.315 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.943 -2.522 -3.035 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.388 -1.232 -3.423 1.00 0.00 C ATOM 1099 C LEU A 72 -1.110 -0.077 -2.729 1.00 0.00 C ATOM 1100 O LEU A 72 -0.477 0.891 -2.320 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.430 -1.051 -4.945 1.00 0.00 C ATOM 1102 CG LEU A 72 0.153 -2.204 -5.784 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.027 -1.903 -7.273 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.625 -2.491 -5.483 1.00 0.00 C ATOM 0 H LEU A 72 -1.320 -3.058 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 72 0.653 -1.218 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.468 -0.901 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.109 -0.138 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.400 -3.102 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.387 -2.721 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.088 -1.795 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.492 -0.978 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.971 -3.314 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.219 -1.602 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.735 -2.762 -4.433 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.429 -0.189 -2.551 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.251 0.831 -1.905 1.00 0.00 C ATOM 1118 C ARG A 73 -2.752 1.159 -0.492 1.00 0.00 C ATOM 1119 O ARG A 73 -2.845 2.317 -0.089 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.716 0.351 -1.939 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.785 1.311 -1.394 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.777 2.661 -2.121 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.029 3.409 -1.915 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.215 4.710 -2.179 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -6.210 5.499 -2.551 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.431 5.231 -2.081 1.00 0.00 N ATOM 0 H ARG A 73 -2.961 -1.004 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.178 1.774 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.970 0.115 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.779 -0.580 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.768 0.852 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.617 1.473 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.936 3.258 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.625 2.497 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.824 2.892 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.269 5.117 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.381 6.486 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.217 4.642 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.580 6.220 -2.280 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.248 0.185 0.274 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.756 0.467 1.627 1.00 0.00 C ATOM 1142 C GLU A 74 -0.360 1.083 1.577 1.00 0.00 C ATOM 1143 O GLU A 74 -0.019 1.907 2.430 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.658 -0.817 2.471 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.004 -1.413 2.892 1.00 0.00 C ATOM 1146 CD GLU A 74 -2.961 -2.267 4.168 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.226 -1.943 5.136 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.785 -3.210 4.257 1.00 0.00 O ATOM 0 H GLU A 74 -2.171 -0.791 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.469 1.157 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.106 -1.567 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.075 -0.603 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.715 -0.600 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.386 -2.025 2.075 1.00 0.00 H new ATOM 1155 N LEU A 75 0.466 0.636 0.628 1.00 0.00 N ATOM 1156 CA LEU A 75 1.829 1.116 0.440 1.00 0.00 C ATOM 1157 C LEU A 75 1.779 2.613 0.134 1.00 0.00 C ATOM 1158 O LEU A 75 2.461 3.412 0.778 1.00 0.00 O ATOM 1159 CB LEU A 75 2.504 0.322 -0.685 1.00 0.00 C ATOM 1160 CG LEU A 75 2.691 -1.180 -0.451 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.269 -1.827 -1.706 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.669 -1.452 0.682 1.00 0.00 C ATOM 0 H LEU A 75 0.197 -0.084 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 75 2.421 0.968 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.917 0.454 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.484 0.762 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 75 1.713 -1.591 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.401 -2.896 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.586 -1.674 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.233 -1.375 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.777 -2.528 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.639 -1.019 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.293 -1.005 1.602 1.00 0.00 H new ATOM 1174 N GLU A 76 0.910 2.992 -0.801 1.00 0.00 N ATOM 1175 CA GLU A 76 0.661 4.362 -1.225 1.00 0.00 C ATOM 1176 C GLU A 76 0.301 5.234 -0.019 1.00 0.00 C ATOM 1177 O GLU A 76 0.806 6.347 0.121 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.503 4.319 -2.231 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.010 5.710 -2.625 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.329 5.617 -3.389 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -3.374 5.312 -2.756 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -2.315 5.841 -4.609 1.00 0.00 O ATOM 0 H GLU A 76 0.335 2.318 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 76 1.549 4.795 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.181 3.789 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.326 3.748 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.146 6.318 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.264 6.212 -3.241 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.580 4.733 0.849 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.030 5.473 2.024 1.00 0.00 C ATOM 1191 C ARG A 77 0.133 5.781 2.954 1.00 0.00 C ATOM 1192 O ARG A 77 0.190 6.886 3.500 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.185 4.736 2.748 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.344 5.718 2.985 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.547 5.143 3.747 1.00 0.00 C ATOM 1196 NE ARG A 77 -5.781 5.895 3.448 1.00 0.00 N ATOM 1197 CZ ARG A 77 -6.298 6.954 4.080 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -5.806 7.390 5.236 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -7.321 7.613 3.555 1.00 0.00 N ATOM 0 H ARG A 77 -0.998 3.807 0.756 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.432 6.429 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.525 3.892 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.835 4.332 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.963 6.578 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.689 6.087 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.683 4.095 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.350 5.175 4.819 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.315 5.560 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.012 6.914 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.222 8.201 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.718 7.313 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.711 8.420 4.041 1.00 0.00 H new ATOM 1213 N TYR A 78 1.047 4.828 3.140 1.00 0.00 N ATOM 1214 CA TYR A 78 2.213 4.972 4.002 1.00 0.00 C ATOM 1215 C TYR A 78 3.148 6.068 3.491 1.00 0.00 C ATOM 1216 O TYR A 78 3.492 6.964 4.265 1.00 0.00 O ATOM 1217 CB TYR A 78 2.939 3.625 4.110 1.00 0.00 C ATOM 1218 CG TYR A 78 4.128 3.607 5.049 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.925 3.422 6.431 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.439 3.750 4.546 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.019 3.435 7.314 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.539 3.733 5.422 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.325 3.629 6.813 1.00 0.00 C ATOM 1224 OH TYR A 78 7.360 3.771 7.679 1.00 0.00 O ATOM 0 H TYR A 78 0.993 3.917 2.685 1.00 0.00 H new ATOM 0 HA TYR A 78 1.882 5.274 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.225 2.871 4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.277 3.332 3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.926 3.270 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.598 3.873 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.861 3.297 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.544 3.799 5.032 1.00 0.00 H new ATOM 0 HH TYR A 78 8.192 3.895 7.177 1.00 0.00 H new ATOM 1234 N VAL A 79 3.558 6.017 2.216 1.00 0.00 N ATOM 1235 CA VAL A 79 4.459 7.012 1.637 1.00 0.00 C ATOM 1236 C VAL A 79 3.787 8.373 1.660 1.00 0.00 C ATOM 1237 O VAL A 79 4.349 9.323 2.204 1.00 0.00 O ATOM 1238 CB VAL A 79 4.949 6.632 0.221 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.704 5.312 0.280 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.871 6.475 -0.862 1.00 0.00 C ATOM 0 H VAL A 79 3.274 5.287 1.563 1.00 0.00 H new ATOM 0 HA VAL A 79 5.360 7.048 2.250 1.00 0.00 H new ATOM 0 HB VAL A 79 5.564 7.483 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.049 5.045 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.562 5.413 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.043 4.531 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.342 6.208 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.173 5.690 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.332 7.415 -0.978 1.00 0.00 H new ATOM 1250 N THR A 80 2.546 8.441 1.182 1.00 0.00 N ATOM 1251 CA THR A 80 1.800 9.674 1.132 1.00 0.00 C ATOM 1252 C THR A 80 1.678 10.275 2.523 1.00 0.00 C ATOM 1253 O THR A 80 1.704 11.484 2.618 1.00 0.00 O ATOM 1254 CB THR A 80 0.446 9.450 0.440 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.661 8.881 -0.834 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.341 10.750 0.247 1.00 0.00 C ATOM 0 H THR A 80 2.038 7.634 0.820 1.00 0.00 H new ATOM 0 HA THR A 80 2.337 10.406 0.528 1.00 0.00 H new ATOM 0 HB THR A 80 -0.134 8.790 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.832 7.921 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.288 10.532 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.534 11.206 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.238 11.438 -0.368 1.00 0.00 H new ATOM 1264 N SER A 81 1.555 9.512 3.612 1.00 0.00 N ATOM 1265 CA SER A 81 1.435 10.119 4.939 1.00 0.00 C ATOM 1266 C SER A 81 2.806 10.481 5.508 1.00 0.00 C ATOM 1267 O SER A 81 2.902 11.321 6.405 1.00 0.00 O ATOM 1268 CB SER A 81 0.689 9.172 5.881 1.00 0.00 C ATOM 1269 OG SER A 81 -0.098 9.897 6.801 1.00 0.00 O ATOM 0 H SER A 81 1.536 8.492 3.603 1.00 0.00 H new ATOM 0 HA SER A 81 0.865 11.043 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.054 8.501 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.404 8.549 6.419 1.00 0.00 H new ATOM 0 HG SER A 81 -0.568 9.273 7.393 1.00 0.00 H new ATOM 1275 N CYS A 82 3.875 9.826 5.049 1.00 0.00 N ATOM 1276 CA CYS A 82 5.221 10.130 5.497 1.00 0.00 C ATOM 1277 C CYS A 82 5.541 11.528 4.962 1.00 0.00 C ATOM 1278 O CYS A 82 6.030 12.382 5.698 1.00 0.00 O ATOM 1279 CB CYS A 82 6.196 9.072 4.956 1.00 0.00 C ATOM 1280 SG CYS A 82 7.833 9.271 5.713 1.00 0.00 S ATOM 0 H CYS A 82 3.825 9.075 4.360 1.00 0.00 H new ATOM 0 HA CYS A 82 5.312 10.113 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.811 8.074 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.276 9.163 3.873 1.00 0.00 H new ATOM 0 HG CYS A 82 8.334 8.101 5.978 1.00 0.00 H new ATOM 1286 N LEU A 83 5.211 11.763 3.692 1.00 0.00 N ATOM 1287 CA LEU A 83 5.428 13.007 2.974 1.00 0.00 C ATOM 1288 C LEU A 83 4.366 14.059 3.340 1.00 0.00 C ATOM 1289 O LEU A 83 4.708 15.218 3.569 1.00 0.00 O ATOM 1290 CB LEU A 83 5.451 12.691 1.460 1.00 0.00 C ATOM 1291 CG LEU A 83 6.476 11.600 1.054 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.285 11.127 -0.390 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.925 12.074 1.239 1.00 0.00 C ATOM 0 H LEU A 83 4.764 11.053 3.113 1.00 0.00 H new ATOM 0 HA LEU A 83 6.384 13.444 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.456 12.371 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.675 13.606 0.912 1.00 0.00 H new ATOM 0 HG LEU A 83 6.287 10.761 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.027 10.364 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.285 10.709 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.407 11.971 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.609 11.278 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.102 12.954 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.094 12.327 2.286 1.00 0.00 H new