USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 CYS SG : rot -25:sc= -1.04 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -117:sc= 0 (180deg=-1.26) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0223 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= 1.2 K(o=1.2,f=-0.03) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0067) USER MOD Single : A 32 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= 1.36 K(o=1.4,f=-0.021) USER MOD Single : A 47 SER OG : rot 180:sc= 0.611 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 89:sc= 0.137 USER MOD Single : A 56 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.4) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -120:sc= -0.683 USER MOD Single : A 71 THR OG1 : rot 178:sc= 1.16 USER MOD Single : A 78 TYR OH : rot 149:sc= 0.405 USER MOD Single : A 80 THR OG1 : rot 56:sc= 0.375 USER MOD Single : A 81 SER OG : rot 83:sc= 0.976 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.598 0.229 -5.654 1.00 0.00 N ATOM 183 CA LYS A 16 -9.735 0.159 -7.112 1.00 0.00 C ATOM 184 C LYS A 16 -8.494 -0.457 -7.780 1.00 0.00 C ATOM 185 O LYS A 16 -7.392 -0.364 -7.234 1.00 0.00 O ATOM 186 CB LYS A 16 -9.964 1.573 -7.661 1.00 0.00 C ATOM 187 CG LYS A 16 -11.351 2.119 -7.296 1.00 0.00 C ATOM 188 CD LYS A 16 -11.667 3.326 -8.184 1.00 0.00 C ATOM 189 CE LYS A 16 -12.781 4.201 -7.606 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.099 3.543 -7.603 1.00 0.00 N ATOM 0 HA LYS A 16 -10.584 -0.485 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.198 2.242 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.853 1.562 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.107 1.345 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.376 2.409 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.766 3.926 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.959 2.978 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.520 4.481 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.845 5.123 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.808 4.188 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.367 3.299 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.053 2.677 -7.029 1.00 0.00 H new ATOM 204 N PRO A 17 -8.616 -1.054 -8.979 1.00 0.00 N ATOM 205 CA PRO A 17 -7.485 -1.647 -9.679 1.00 0.00 C ATOM 206 C PRO A 17 -6.515 -0.566 -10.175 1.00 0.00 C ATOM 207 O PRO A 17 -6.791 0.200 -11.102 1.00 0.00 O ATOM 208 CB PRO A 17 -8.066 -2.475 -10.809 1.00 0.00 C ATOM 209 CG PRO A 17 -9.382 -1.757 -11.107 1.00 0.00 C ATOM 210 CD PRO A 17 -9.839 -1.250 -9.743 1.00 0.00 C ATOM 0 HA PRO A 17 -6.893 -2.282 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.408 -2.493 -11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.228 -3.511 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.239 -0.937 -11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.115 -2.432 -11.548 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.398 -0.319 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.497 -1.970 -9.256 1.00 0.00 H new ATOM 218 N MET A 18 -5.354 -0.552 -9.537 1.00 0.00 N ATOM 219 CA MET A 18 -4.230 0.351 -9.744 1.00 0.00 C ATOM 220 C MET A 18 -3.720 0.245 -11.181 1.00 0.00 C ATOM 221 O MET A 18 -3.555 -0.873 -11.682 1.00 0.00 O ATOM 222 CB MET A 18 -3.093 -0.039 -8.777 1.00 0.00 C ATOM 223 CG MET A 18 -3.519 -0.261 -7.317 1.00 0.00 C ATOM 224 SD MET A 18 -4.018 1.189 -6.358 1.00 0.00 S ATOM 225 CE MET A 18 -2.403 1.782 -5.781 1.00 0.00 C ATOM 0 H MET A 18 -5.157 -1.228 -8.799 1.00 0.00 H new ATOM 0 HA MET A 18 -4.555 1.375 -9.558 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.623 -0.952 -9.144 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.333 0.742 -8.802 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.349 -0.968 -7.313 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.691 -0.740 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.364 1.731 -4.693 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.615 1.158 -6.202 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.259 2.814 -6.101 1.00 0.00 H new ATOM 235 N SER A 19 -3.491 1.373 -11.851 1.00 0.00 N ATOM 236 CA SER A 19 -2.967 1.372 -13.214 1.00 0.00 C ATOM 237 C SER A 19 -1.438 1.194 -13.150 1.00 0.00 C ATOM 238 O SER A 19 -0.854 1.076 -12.070 1.00 0.00 O ATOM 239 CB SER A 19 -3.359 2.661 -13.955 1.00 0.00 C ATOM 240 OG SER A 19 -3.094 2.476 -15.331 1.00 0.00 O ATOM 0 H SER A 19 -3.661 2.303 -11.469 1.00 0.00 H new ATOM 0 HA SER A 19 -3.400 0.545 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.414 2.884 -13.798 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.793 3.509 -13.569 1.00 0.00 H new ATOM 0 HG SER A 19 -3.339 3.287 -15.823 1.00 0.00 H new ATOM 246 N TYR A 20 -0.785 1.098 -14.311 1.00 0.00 N ATOM 247 CA TYR A 20 0.667 0.954 -14.422 1.00 0.00 C ATOM 248 C TYR A 20 1.306 2.222 -13.862 1.00 0.00 C ATOM 249 O TYR A 20 2.249 2.171 -13.078 1.00 0.00 O ATOM 250 CB TYR A 20 1.070 0.740 -15.894 1.00 0.00 C ATOM 251 CG TYR A 20 2.478 1.190 -16.250 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.584 0.378 -15.944 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.683 2.440 -16.869 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.886 0.807 -16.261 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.983 2.889 -17.157 1.00 0.00 C ATOM 256 CZ TYR A 20 5.094 2.067 -16.860 1.00 0.00 C ATOM 257 OH TYR A 20 6.362 2.492 -17.116 1.00 0.00 O ATOM 0 H TYR A 20 -1.259 1.119 -15.214 1.00 0.00 H new ATOM 0 HA TYR A 20 1.010 0.086 -13.859 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.973 -0.320 -16.130 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.363 1.274 -16.529 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.434 -0.578 -15.464 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.834 3.057 -17.124 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.730 0.169 -16.045 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.133 3.860 -17.604 1.00 0.00 H new ATOM 0 HH TYR A 20 6.332 3.379 -17.531 1.00 0.00 H new ATOM 267 N GLU A 21 0.733 3.367 -14.221 1.00 0.00 N ATOM 268 CA GLU A 21 1.218 4.667 -13.803 1.00 0.00 C ATOM 269 C GLU A 21 1.097 4.866 -12.294 1.00 0.00 C ATOM 270 O GLU A 21 1.895 5.606 -11.718 1.00 0.00 O ATOM 271 CB GLU A 21 0.485 5.749 -14.601 1.00 0.00 C ATOM 272 CG GLU A 21 0.754 5.547 -16.100 1.00 0.00 C ATOM 273 CD GLU A 21 0.209 6.682 -16.952 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.035 6.780 -17.083 1.00 0.00 O ATOM 275 OE2 GLU A 21 1.035 7.445 -17.502 1.00 0.00 O ATOM 0 H GLU A 21 -0.092 3.412 -14.819 1.00 0.00 H new ATOM 0 HA GLU A 21 2.284 4.739 -14.017 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.586 5.700 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.822 6.738 -14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.828 5.459 -16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.304 4.608 -16.422 1.00 0.00 H new ATOM 282 N GLU A 22 0.112 4.223 -11.661 1.00 0.00 N ATOM 283 CA GLU A 22 -0.106 4.296 -10.221 1.00 0.00 C ATOM 284 C GLU A 22 1.000 3.472 -9.570 1.00 0.00 C ATOM 285 O GLU A 22 1.735 3.976 -8.731 1.00 0.00 O ATOM 286 CB GLU A 22 -1.496 3.749 -9.841 1.00 0.00 C ATOM 287 CG GLU A 22 -2.685 4.459 -10.508 1.00 0.00 C ATOM 288 CD GLU A 22 -2.951 5.896 -10.038 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.012 6.722 -9.977 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.143 6.243 -9.852 1.00 0.00 O ATOM 0 H GLU A 22 -0.563 3.630 -12.144 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.076 5.330 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.535 2.691 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.613 3.818 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.518 4.474 -11.585 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.583 3.867 -10.333 1.00 0.00 H new ATOM 297 N LYS A 23 1.159 2.211 -9.997 1.00 0.00 N ATOM 298 CA LYS A 23 2.178 1.303 -9.478 1.00 0.00 C ATOM 299 C LYS A 23 3.557 1.952 -9.548 1.00 0.00 C ATOM 300 O LYS A 23 4.332 1.853 -8.595 1.00 0.00 O ATOM 301 CB LYS A 23 2.177 0.020 -10.319 1.00 0.00 C ATOM 302 CG LYS A 23 0.922 -0.827 -10.110 1.00 0.00 C ATOM 303 CD LYS A 23 0.727 -1.787 -11.277 1.00 0.00 C ATOM 304 CE LYS A 23 -0.676 -2.378 -11.240 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.868 -3.432 -12.259 1.00 0.00 N ATOM 0 H LYS A 23 0.574 1.793 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 23 1.953 1.072 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.260 0.283 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.056 -0.574 -10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.006 -1.388 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.051 -0.179 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.884 -1.263 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.468 -2.585 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.867 -2.793 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.406 -1.585 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.837 -3.804 -12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.712 -3.032 -13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.190 -4.203 -12.093 1.00 0.00 H new ATOM 319 N ARG A 24 3.893 2.563 -10.686 1.00 0.00 N ATOM 320 CA ARG A 24 5.180 3.213 -10.873 1.00 0.00 C ATOM 321 C ARG A 24 5.297 4.421 -9.961 1.00 0.00 C ATOM 322 O ARG A 24 6.259 4.454 -9.203 1.00 0.00 O ATOM 323 CB ARG A 24 5.412 3.563 -12.347 1.00 0.00 C ATOM 324 CG ARG A 24 5.562 2.328 -13.255 1.00 0.00 C ATOM 325 CD ARG A 24 6.944 1.656 -13.245 1.00 0.00 C ATOM 326 NE ARG A 24 7.254 0.906 -12.011 1.00 0.00 N ATOM 327 CZ ARG A 24 8.430 0.314 -11.761 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.380 0.317 -12.681 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.653 -0.238 -10.576 1.00 0.00 N ATOM 0 H ARG A 24 3.279 2.618 -11.498 1.00 0.00 H new ATOM 0 HA ARG A 24 5.971 2.518 -10.593 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.578 4.168 -12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.309 4.176 -12.430 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.817 1.589 -12.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.329 2.622 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.009 0.976 -14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.707 2.421 -13.391 1.00 0.00 H new ATOM 0 HE ARG A 24 6.524 0.834 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.217 0.770 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.275 -0.133 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.930 -0.212 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.547 -0.689 -10.384 1.00 0.00 H new ATOM 343 N GLN A 25 4.358 5.372 -9.972 1.00 0.00 N ATOM 344 CA GLN A 25 4.454 6.549 -9.107 1.00 0.00 C ATOM 345 C GLN A 25 4.640 6.129 -7.641 1.00 0.00 C ATOM 346 O GLN A 25 5.496 6.679 -6.949 1.00 0.00 O ATOM 347 CB GLN A 25 3.245 7.474 -9.318 1.00 0.00 C ATOM 348 CG GLN A 25 3.168 8.658 -8.338 1.00 0.00 C ATOM 349 CD GLN A 25 4.351 9.636 -8.389 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.255 10.743 -8.918 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.477 9.297 -7.786 1.00 0.00 N ATOM 0 H GLN A 25 3.529 5.350 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 25 5.339 7.124 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.274 7.863 -10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.333 6.885 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.251 9.213 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.088 8.264 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.564 8.381 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.259 9.951 -7.761 1.00 0.00 H new ATOM 360 N LEU A 26 3.911 5.120 -7.173 1.00 0.00 N ATOM 361 CA LEU A 26 4.018 4.628 -5.805 1.00 0.00 C ATOM 362 C LEU A 26 5.479 4.234 -5.517 1.00 0.00 C ATOM 363 O LEU A 26 6.040 4.558 -4.472 1.00 0.00 O ATOM 364 CB LEU A 26 3.027 3.464 -5.680 1.00 0.00 C ATOM 365 CG LEU A 26 2.566 3.133 -4.259 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.479 2.058 -4.355 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.650 2.646 -3.303 1.00 0.00 C ATOM 0 H LEU A 26 3.225 4.618 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 26 3.763 5.381 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.148 3.693 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.485 2.573 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 26 2.213 4.072 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.131 1.802 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.644 2.437 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.888 1.169 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.210 2.442 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.099 1.734 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.417 3.413 -3.202 1.00 0.00 H new ATOM 379 N SER A 27 6.111 3.535 -6.461 1.00 0.00 N ATOM 380 CA SER A 27 7.499 3.106 -6.360 1.00 0.00 C ATOM 381 C SER A 27 8.424 4.325 -6.347 1.00 0.00 C ATOM 382 O SER A 27 9.360 4.365 -5.546 1.00 0.00 O ATOM 383 CB SER A 27 7.835 2.198 -7.543 1.00 0.00 C ATOM 384 OG SER A 27 9.115 1.613 -7.434 1.00 0.00 O ATOM 0 H SER A 27 5.661 3.248 -7.330 1.00 0.00 H new ATOM 0 HA SER A 27 7.642 2.553 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.085 1.410 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.781 2.776 -8.466 1.00 0.00 H new ATOM 0 HG SER A 27 9.281 1.042 -8.213 1.00 0.00 H new ATOM 390 N LEU A 28 8.192 5.322 -7.210 1.00 0.00 N ATOM 391 CA LEU A 28 9.005 6.531 -7.284 1.00 0.00 C ATOM 392 C LEU A 28 9.063 7.203 -5.920 1.00 0.00 C ATOM 393 O LEU A 28 10.141 7.636 -5.515 1.00 0.00 O ATOM 394 CB LEU A 28 8.430 7.503 -8.325 1.00 0.00 C ATOM 395 CG LEU A 28 8.967 7.366 -9.751 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.416 7.845 -9.868 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.814 5.979 -10.358 1.00 0.00 C ATOM 0 H LEU A 28 7.425 5.307 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 28 10.014 6.253 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.348 7.373 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.620 8.521 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 28 8.328 8.023 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.755 7.729 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.476 8.895 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.050 7.252 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.222 5.977 -11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.352 5.254 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.758 5.711 -10.393 1.00 0.00 H new ATOM 409 N ASP A 29 7.933 7.273 -5.218 1.00 0.00 N ATOM 410 CA ASP A 29 7.854 7.879 -3.890 1.00 0.00 C ATOM 411 C ASP A 29 8.555 6.993 -2.858 1.00 0.00 C ATOM 412 O ASP A 29 9.213 7.507 -1.952 1.00 0.00 O ATOM 413 CB ASP A 29 6.389 8.172 -3.506 1.00 0.00 C ATOM 414 CG ASP A 29 5.971 9.627 -3.762 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.770 10.419 -4.325 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.852 9.992 -3.346 1.00 0.00 O ATOM 0 H ASP A 29 7.042 6.909 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 29 8.375 8.836 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.734 7.509 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.244 7.941 -2.451 1.00 0.00 H new ATOM 421 N ILE A 30 8.463 5.665 -2.979 1.00 0.00 N ATOM 422 CA ILE A 30 9.116 4.715 -2.072 1.00 0.00 C ATOM 423 C ILE A 30 10.638 4.879 -2.178 1.00 0.00 C ATOM 424 O ILE A 30 11.353 4.800 -1.174 1.00 0.00 O ATOM 425 CB ILE A 30 8.647 3.278 -2.412 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.321 3.012 -1.674 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.678 2.176 -2.101 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.604 1.753 -2.154 1.00 0.00 C ATOM 0 H ILE A 30 7.926 5.213 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 30 8.837 4.912 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 30 8.514 3.230 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.519 2.924 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.662 3.870 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.264 1.204 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.587 2.355 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.913 2.188 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.678 1.625 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.375 1.847 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.246 0.886 -1.997 1.00 0.00 H new ATOM 440 N ASN A 31 11.149 5.134 -3.387 1.00 0.00 N ATOM 441 CA ASN A 31 12.579 5.320 -3.628 1.00 0.00 C ATOM 442 C ASN A 31 13.117 6.560 -2.897 1.00 0.00 C ATOM 443 O ASN A 31 14.331 6.703 -2.764 1.00 0.00 O ATOM 444 CB ASN A 31 12.886 5.399 -5.137 1.00 0.00 C ATOM 445 CG ASN A 31 12.980 4.031 -5.812 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.045 3.617 -6.257 1.00 0.00 O ATOM 447 ND2 ASN A 31 11.890 3.308 -5.966 1.00 0.00 N ATOM 0 H ASN A 31 10.578 5.217 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 31 13.091 4.447 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.109 5.985 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.826 5.932 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.937 2.412 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.999 3.644 -5.599 1.00 0.00 H new ATOM 454 N LYS A 32 12.248 7.457 -2.411 1.00 0.00 N ATOM 455 CA LYS A 32 12.624 8.670 -1.684 1.00 0.00 C ATOM 456 C LYS A 32 12.648 8.415 -0.168 1.00 0.00 C ATOM 457 O LYS A 32 12.905 9.345 0.599 1.00 0.00 O ATOM 458 CB LYS A 32 11.647 9.820 -2.016 1.00 0.00 C ATOM 459 CG LYS A 32 11.443 10.118 -3.513 1.00 0.00 C ATOM 460 CD LYS A 32 12.587 10.901 -4.173 1.00 0.00 C ATOM 461 CE LYS A 32 12.329 12.412 -4.115 1.00 0.00 C ATOM 462 NZ LYS A 32 13.452 13.168 -4.704 1.00 0.00 N ATOM 0 H LYS A 32 11.239 7.353 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 32 13.627 8.958 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.677 9.585 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.006 10.727 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.314 9.174 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.518 10.681 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.527 10.670 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.695 10.587 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.409 12.647 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.184 12.719 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.250 14.187 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.324 12.960 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.574 12.890 -5.699 1.00 0.00 H new ATOM 476 N LEU A 33 12.293 7.216 0.309 1.00 0.00 N ATOM 477 CA LEU A 33 12.300 6.897 1.737 1.00 0.00 C ATOM 478 C LEU A 33 13.711 6.518 2.178 1.00 0.00 C ATOM 479 O LEU A 33 14.431 5.899 1.390 1.00 0.00 O ATOM 480 CB LEU A 33 11.409 5.681 2.048 1.00 0.00 C ATOM 481 CG LEU A 33 9.908 5.960 1.910 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.156 4.632 1.884 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.378 6.824 3.065 1.00 0.00 C ATOM 0 H LEU A 33 11.994 6.443 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 33 11.933 7.780 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.680 4.864 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.614 5.343 3.064 1.00 0.00 H new ATOM 0 HG LEU A 33 9.749 6.511 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.087 4.821 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.498 4.037 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.345 4.089 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.311 6.998 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.544 6.308 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.903 7.779 3.076 1.00 0.00 H new ATOM 495 N PRO A 34 14.109 6.852 3.416 1.00 0.00 N ATOM 496 CA PRO A 34 15.419 6.483 3.933 1.00 0.00 C ATOM 497 C PRO A 34 15.395 4.973 4.192 1.00 0.00 C ATOM 498 O PRO A 34 14.324 4.420 4.464 1.00 0.00 O ATOM 499 CB PRO A 34 15.554 7.264 5.244 1.00 0.00 C ATOM 500 CG PRO A 34 14.116 7.405 5.728 1.00 0.00 C ATOM 501 CD PRO A 34 13.344 7.579 4.421 1.00 0.00 C ATOM 0 HA PRO A 34 16.248 6.706 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.170 6.729 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.021 8.236 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.786 6.526 6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.993 8.262 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.333 7.182 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.252 8.633 4.157 1.00 0.00 H new ATOM 509 N GLY A 35 16.552 4.310 4.192 1.00 0.00 N ATOM 510 CA GLY A 35 16.630 2.871 4.430 1.00 0.00 C ATOM 511 C GLY A 35 15.956 2.474 5.743 1.00 0.00 C ATOM 512 O GLY A 35 15.242 1.471 5.795 1.00 0.00 O ATOM 0 H GLY A 35 17.456 4.754 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.157 2.340 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.675 2.562 4.450 1.00 0.00 H new ATOM 516 N GLU A 36 16.089 3.320 6.767 1.00 0.00 N ATOM 517 CA GLU A 36 15.529 3.127 8.099 1.00 0.00 C ATOM 518 C GLU A 36 14.007 2.987 8.070 1.00 0.00 C ATOM 519 O GLU A 36 13.456 2.301 8.930 1.00 0.00 O ATOM 520 CB GLU A 36 15.948 4.319 8.976 1.00 0.00 C ATOM 521 CG GLU A 36 15.356 4.273 10.392 1.00 0.00 C ATOM 522 CD GLU A 36 15.782 5.464 11.244 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.000 5.769 11.304 1.00 0.00 O ATOM 524 OE2 GLU A 36 14.883 6.098 11.850 1.00 0.00 O ATOM 0 H GLU A 36 16.611 4.192 6.684 1.00 0.00 H new ATOM 0 HA GLU A 36 15.916 2.196 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.035 4.345 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.638 5.244 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.268 4.248 10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.667 3.350 10.882 1.00 0.00 H new ATOM 531 N LYS A 37 13.324 3.627 7.112 1.00 0.00 N ATOM 532 CA LYS A 37 11.863 3.592 6.970 1.00 0.00 C ATOM 533 C LYS A 37 11.422 2.779 5.751 1.00 0.00 C ATOM 534 O LYS A 37 10.213 2.666 5.512 1.00 0.00 O ATOM 535 CB LYS A 37 11.312 5.022 6.874 1.00 0.00 C ATOM 536 CG LYS A 37 11.681 5.893 8.087 1.00 0.00 C ATOM 537 CD LYS A 37 11.187 7.335 7.928 1.00 0.00 C ATOM 538 CE LYS A 37 9.674 7.448 8.165 1.00 0.00 C ATOM 539 NZ LYS A 37 9.338 8.650 8.956 1.00 0.00 N ATOM 0 H LYS A 37 13.781 4.195 6.399 1.00 0.00 H new ATOM 0 HA LYS A 37 11.459 3.100 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.693 5.492 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.227 4.981 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.250 5.459 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.763 5.893 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.714 7.980 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.426 7.693 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.156 7.486 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.319 6.558 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.309 8.696 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.813 8.601 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.656 9.500 8.448 1.00 0.00 H new ATOM 553 N LEU A 38 12.373 2.268 4.963 1.00 0.00 N ATOM 554 CA LEU A 38 12.122 1.476 3.769 1.00 0.00 C ATOM 555 C LEU A 38 11.744 0.057 4.159 1.00 0.00 C ATOM 556 O LEU A 38 10.767 -0.446 3.626 1.00 0.00 O ATOM 557 CB LEU A 38 13.347 1.499 2.839 1.00 0.00 C ATOM 558 CG LEU A 38 13.192 0.791 1.474 1.00 0.00 C ATOM 559 CD1 LEU A 38 13.239 -0.739 1.546 1.00 0.00 C ATOM 560 CD2 LEU A 38 11.953 1.246 0.699 1.00 0.00 C ATOM 0 H LEU A 38 13.367 2.402 5.150 1.00 0.00 H new ATOM 0 HA LEU A 38 11.286 1.911 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.616 2.539 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.184 1.042 3.367 1.00 0.00 H new ATOM 0 HG LEU A 38 14.077 1.108 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.123 -1.154 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.196 -1.054 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.431 -1.098 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.901 0.712 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.059 1.033 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.016 2.318 0.510 1.00 0.00 H new ATOM 572 N GLY A 39 12.449 -0.586 5.095 1.00 0.00 N ATOM 573 CA GLY A 39 12.135 -1.957 5.509 1.00 0.00 C ATOM 574 C GLY A 39 10.649 -2.118 5.868 1.00 0.00 C ATOM 575 O GLY A 39 9.992 -3.095 5.492 1.00 0.00 O ATOM 0 H GLY A 39 13.245 -0.176 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.392 -2.647 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.748 -2.227 6.369 1.00 0.00 H new ATOM 579 N ARG A 40 10.081 -1.091 6.508 1.00 0.00 N ATOM 580 CA ARG A 40 8.687 -1.022 6.922 1.00 0.00 C ATOM 581 C ARG A 40 7.750 -1.175 5.724 1.00 0.00 C ATOM 582 O ARG A 40 6.653 -1.704 5.892 1.00 0.00 O ATOM 583 CB ARG A 40 8.460 0.320 7.639 1.00 0.00 C ATOM 584 CG ARG A 40 7.075 0.469 8.272 1.00 0.00 C ATOM 585 CD ARG A 40 6.912 -0.460 9.481 1.00 0.00 C ATOM 586 NE ARG A 40 5.547 -0.387 10.006 1.00 0.00 N ATOM 587 CZ ARG A 40 5.044 0.616 10.733 1.00 0.00 C ATOM 588 NH1 ARG A 40 5.805 1.622 11.150 1.00 0.00 N ATOM 589 NH2 ARG A 40 3.750 0.617 11.018 1.00 0.00 N ATOM 0 H ARG A 40 10.606 -0.254 6.759 1.00 0.00 H new ATOM 0 HA ARG A 40 8.464 -1.843 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.216 0.436 8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.609 1.130 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.924 1.503 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.308 0.243 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.142 -1.486 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.622 -0.181 10.259 1.00 0.00 H new ATOM 0 HE ARG A 40 4.926 -1.169 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.798 1.641 10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.396 2.375 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.154 -0.140 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.350 1.375 11.572 1.00 0.00 H new ATOM 603 N VAL A 41 8.140 -0.690 4.543 1.00 0.00 N ATOM 604 CA VAL A 41 7.363 -0.775 3.314 1.00 0.00 C ATOM 605 C VAL A 41 7.161 -2.252 3.027 1.00 0.00 C ATOM 606 O VAL A 41 6.021 -2.691 2.909 1.00 0.00 O ATOM 607 CB VAL A 41 8.084 -0.069 2.146 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.353 -0.208 0.808 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.273 1.425 2.435 1.00 0.00 C ATOM 0 H VAL A 41 9.033 -0.214 4.417 1.00 0.00 H new ATOM 0 HA VAL A 41 6.404 -0.270 3.427 1.00 0.00 H new ATOM 0 HB VAL A 41 9.049 -0.570 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.914 0.311 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.266 -1.263 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.358 0.229 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.783 1.896 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.299 1.894 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.871 1.548 3.338 1.00 0.00 H new ATOM 619 N VAL A 42 8.248 -3.023 2.957 1.00 0.00 N ATOM 620 CA VAL A 42 8.201 -4.454 2.687 1.00 0.00 C ATOM 621 C VAL A 42 7.289 -5.147 3.710 1.00 0.00 C ATOM 622 O VAL A 42 6.501 -6.027 3.366 1.00 0.00 O ATOM 623 CB VAL A 42 9.623 -5.055 2.666 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.591 -6.337 1.823 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.711 -4.115 2.107 1.00 0.00 C ATOM 0 H VAL A 42 9.194 -2.664 3.088 1.00 0.00 H new ATOM 0 HA VAL A 42 7.776 -4.621 1.697 1.00 0.00 H new ATOM 0 HB VAL A 42 9.897 -5.244 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.587 -6.779 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.892 -7.046 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.271 -6.098 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.676 -4.621 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.467 -3.847 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.760 -3.212 2.716 1.00 0.00 H new ATOM 635 N HIS A 43 7.343 -4.708 4.970 1.00 0.00 N ATOM 636 CA HIS A 43 6.544 -5.251 6.058 1.00 0.00 C ATOM 637 C HIS A 43 5.036 -5.099 5.782 1.00 0.00 C ATOM 638 O HIS A 43 4.247 -5.894 6.300 1.00 0.00 O ATOM 639 CB HIS A 43 6.983 -4.615 7.390 1.00 0.00 C ATOM 640 CG HIS A 43 7.594 -5.599 8.358 1.00 0.00 C ATOM 641 ND1 HIS A 43 6.967 -6.161 9.446 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.882 -6.070 8.334 1.00 0.00 C ATOM 643 CE1 HIS A 43 7.857 -6.952 10.068 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.034 -6.939 9.422 1.00 0.00 N ATOM 0 H HIS A 43 7.958 -3.949 5.263 1.00 0.00 H new ATOM 0 HA HIS A 43 6.719 -6.324 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.705 -3.824 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.120 -4.144 7.860 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.641 -5.817 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.654 -7.520 10.964 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.874 -7.460 9.674 1.00 0.00 H new ATOM 652 N ILE A 44 4.600 -4.094 5.012 1.00 0.00 N ATOM 653 CA ILE A 44 3.193 -3.893 4.667 1.00 0.00 C ATOM 654 C ILE A 44 2.796 -5.031 3.718 1.00 0.00 C ATOM 655 O ILE A 44 1.742 -5.639 3.918 1.00 0.00 O ATOM 656 CB ILE A 44 2.972 -2.504 4.017 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.277 -1.365 5.012 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.543 -2.331 3.458 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.355 0.028 4.373 1.00 0.00 C ATOM 0 H ILE A 44 5.222 -3.393 4.609 1.00 0.00 H new ATOM 0 HA ILE A 44 2.569 -3.912 5.560 1.00 0.00 H new ATOM 0 HB ILE A 44 3.669 -2.449 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.506 -1.356 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.223 -1.577 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.443 -1.340 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.355 -3.090 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.820 -2.441 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.573 0.769 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.146 0.040 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.402 0.265 3.900 1.00 0.00 H new ATOM 671 N ILE A 45 3.612 -5.328 2.695 1.00 0.00 N ATOM 672 CA ILE A 45 3.315 -6.398 1.743 1.00 0.00 C ATOM 673 C ILE A 45 3.228 -7.726 2.481 1.00 0.00 C ATOM 674 O ILE A 45 2.258 -8.444 2.272 1.00 0.00 O ATOM 675 CB ILE A 45 4.310 -6.468 0.566 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.346 -5.154 -0.237 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.877 -7.579 -0.393 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.640 -4.406 0.047 1.00 0.00 C ATOM 0 H ILE A 45 4.486 -4.836 2.509 1.00 0.00 H new ATOM 0 HA ILE A 45 2.351 -6.171 1.288 1.00 0.00 H new ATOM 0 HB ILE A 45 5.298 -6.656 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.266 -5.367 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.491 -4.532 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.577 -7.633 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.868 -8.532 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.878 -7.364 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.657 -3.478 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.702 -4.178 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.489 -5.026 -0.241 1.00 0.00 H new ATOM 690 N GLN A 46 4.125 -8.013 3.425 1.00 0.00 N ATOM 691 CA GLN A 46 4.094 -9.266 4.179 1.00 0.00 C ATOM 692 C GLN A 46 2.750 -9.491 4.890 1.00 0.00 C ATOM 693 O GLN A 46 2.351 -10.627 5.159 1.00 0.00 O ATOM 694 CB GLN A 46 5.241 -9.274 5.188 1.00 0.00 C ATOM 695 CG GLN A 46 6.593 -9.362 4.475 1.00 0.00 C ATOM 696 CD GLN A 46 7.706 -9.724 5.443 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.848 -9.134 6.511 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.465 -10.749 5.119 1.00 0.00 N ATOM 0 H GLN A 46 4.888 -7.389 3.687 1.00 0.00 H new ATOM 0 HA GLN A 46 4.213 -10.087 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.203 -8.369 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.128 -10.119 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.540 -10.109 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.818 -8.408 3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.328 -11.223 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.190 -11.070 5.761 1.00 0.00 H new ATOM 707 N SER A 47 2.031 -8.421 5.232 1.00 0.00 N ATOM 708 CA SER A 47 0.733 -8.541 5.883 1.00 0.00 C ATOM 709 C SER A 47 -0.324 -8.999 4.872 1.00 0.00 C ATOM 710 O SER A 47 -1.353 -9.569 5.235 1.00 0.00 O ATOM 711 CB SER A 47 0.373 -7.166 6.455 1.00 0.00 C ATOM 712 OG SER A 47 -0.821 -7.179 7.206 1.00 0.00 O ATOM 0 H SER A 47 2.330 -7.460 5.067 1.00 0.00 H new ATOM 0 HA SER A 47 0.770 -9.282 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.190 -6.816 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.274 -6.452 5.637 1.00 0.00 H new ATOM 0 HG SER A 47 -1.002 -6.279 7.548 1.00 0.00 H new ATOM 718 N ARG A 48 -0.109 -8.716 3.590 1.00 0.00 N ATOM 719 CA ARG A 48 -1.003 -9.043 2.494 1.00 0.00 C ATOM 720 C ARG A 48 -0.615 -10.294 1.731 1.00 0.00 C ATOM 721 O ARG A 48 -1.512 -10.960 1.225 1.00 0.00 O ATOM 722 CB ARG A 48 -1.058 -7.859 1.526 1.00 0.00 C ATOM 723 CG ARG A 48 -1.417 -6.501 2.154 1.00 0.00 C ATOM 724 CD ARG A 48 -2.788 -6.484 2.828 1.00 0.00 C ATOM 725 NE ARG A 48 -2.726 -7.012 4.196 1.00 0.00 N ATOM 726 CZ ARG A 48 -3.758 -7.293 4.992 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.002 -7.193 4.532 1.00 0.00 N ATOM 728 NH2 ARG A 48 -3.531 -7.675 6.240 1.00 0.00 N ATOM 0 H ARG A 48 0.732 -8.231 3.278 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.978 -9.245 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.088 -7.768 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.787 -8.083 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.656 -6.237 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.392 -5.734 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.171 -5.464 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.490 -7.076 2.241 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.796 -7.182 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.168 -6.901 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.790 -7.408 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.574 -7.752 6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.313 -7.892 6.857 1.00 0.00 H new ATOM 742 N GLU A 49 0.653 -10.674 1.718 1.00 0.00 N ATOM 743 CA GLU A 49 1.132 -11.838 0.990 1.00 0.00 C ATOM 744 C GLU A 49 1.692 -12.841 2.010 1.00 0.00 C ATOM 745 O GLU A 49 2.861 -12.741 2.395 1.00 0.00 O ATOM 746 CB GLU A 49 2.140 -11.390 -0.082 1.00 0.00 C ATOM 747 CG GLU A 49 1.720 -10.161 -0.915 1.00 0.00 C ATOM 748 CD GLU A 49 0.288 -10.098 -1.488 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.183 -11.108 -2.062 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.352 -9.015 -1.404 1.00 0.00 O ATOM 0 H GLU A 49 1.388 -10.176 2.220 1.00 0.00 H new ATOM 0 HA GLU A 49 0.333 -12.346 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.089 -11.169 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.317 -12.224 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.865 -9.277 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.413 -10.079 -1.752 1.00 0.00 H new ATOM 757 N PRO A 50 0.879 -13.786 2.526 1.00 0.00 N ATOM 758 CA PRO A 50 1.333 -14.771 3.509 1.00 0.00 C ATOM 759 C PRO A 50 2.524 -15.606 3.027 1.00 0.00 C ATOM 760 O PRO A 50 3.374 -15.987 3.839 1.00 0.00 O ATOM 761 CB PRO A 50 0.109 -15.639 3.819 1.00 0.00 C ATOM 762 CG PRO A 50 -0.810 -15.456 2.618 1.00 0.00 C ATOM 763 CD PRO A 50 -0.518 -14.026 2.181 1.00 0.00 C ATOM 0 HA PRO A 50 1.711 -14.272 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.388 -16.685 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.377 -15.322 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.589 -16.173 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.858 -15.590 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.684 -13.902 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.174 -13.319 2.689 1.00 0.00 H new ATOM 771 N SER A 51 2.631 -15.865 1.725 1.00 0.00 N ATOM 772 CA SER A 51 3.725 -16.639 1.158 1.00 0.00 C ATOM 773 C SER A 51 5.055 -15.882 1.209 1.00 0.00 C ATOM 774 O SER A 51 6.104 -16.514 1.147 1.00 0.00 O ATOM 775 CB SER A 51 3.362 -17.031 -0.267 1.00 0.00 C ATOM 776 OG SER A 51 2.141 -17.745 -0.249 1.00 0.00 O ATOM 0 H SER A 51 1.956 -15.540 1.033 1.00 0.00 H new ATOM 0 HA SER A 51 3.867 -17.538 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.269 -16.142 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.151 -17.645 -0.702 1.00 0.00 H new ATOM 0 HG SER A 51 1.898 -18.000 -1.163 1.00 0.00 H new ATOM 782 N LEU A 52 5.026 -14.551 1.350 1.00 0.00 N ATOM 783 CA LEU A 52 6.221 -13.715 1.432 1.00 0.00 C ATOM 784 C LEU A 52 6.460 -13.247 2.869 1.00 0.00 C ATOM 785 O LEU A 52 7.512 -12.668 3.163 1.00 0.00 O ATOM 786 CB LEU A 52 6.139 -12.545 0.436 1.00 0.00 C ATOM 787 CG LEU A 52 6.600 -12.856 -1.005 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.946 -13.587 -1.101 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.532 -13.618 -1.795 1.00 0.00 C ATOM 0 H LEU A 52 4.157 -14.021 1.411 1.00 0.00 H new ATOM 0 HA LEU A 52 7.087 -14.313 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.107 -12.195 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.742 -11.722 0.821 1.00 0.00 H new ATOM 0 HG LEU A 52 6.751 -11.875 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.190 -13.764 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.725 -12.976 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.880 -14.541 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.897 -13.816 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.314 -14.562 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.623 -13.019 -1.850 1.00 0.00 H new ATOM 801 N LYS A 53 5.513 -13.477 3.786 1.00 0.00 N ATOM 802 CA LYS A 53 5.667 -13.105 5.189 1.00 0.00 C ATOM 803 C LYS A 53 6.829 -13.924 5.762 1.00 0.00 C ATOM 804 O LYS A 53 7.233 -14.925 5.174 1.00 0.00 O ATOM 805 CB LYS A 53 4.337 -13.323 5.923 1.00 0.00 C ATOM 806 CG LYS A 53 4.341 -12.769 7.354 1.00 0.00 C ATOM 807 CD LYS A 53 2.975 -12.930 8.014 1.00 0.00 C ATOM 808 CE LYS A 53 3.020 -12.503 9.483 1.00 0.00 C ATOM 809 NZ LYS A 53 3.224 -11.053 9.673 1.00 0.00 N ATOM 0 H LYS A 53 4.622 -13.925 3.573 1.00 0.00 H new ATOM 0 HA LYS A 53 5.910 -12.050 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.535 -12.848 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.116 -14.390 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.096 -13.287 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.617 -11.715 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.237 -12.331 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.654 -13.969 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.088 -12.796 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.823 -13.043 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.244 -10.836 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.126 -10.770 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.445 -10.531 9.223 1.00 0.00 H new ATOM 823 N ASN A 54 7.385 -13.502 6.899 1.00 0.00 N ATOM 824 CA ASN A 54 8.514 -14.117 7.611 1.00 0.00 C ATOM 825 C ASN A 54 9.834 -14.006 6.837 1.00 0.00 C ATOM 826 O ASN A 54 10.891 -14.072 7.456 1.00 0.00 O ATOM 827 CB ASN A 54 8.230 -15.553 8.080 1.00 0.00 C ATOM 828 CG ASN A 54 7.090 -15.620 9.086 1.00 0.00 C ATOM 829 OD1 ASN A 54 7.253 -15.311 10.265 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.891 -15.975 8.662 1.00 0.00 N ATOM 0 H ASN A 54 7.040 -12.671 7.379 1.00 0.00 H new ATOM 0 HA ASN A 54 8.637 -13.528 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.986 -16.173 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.131 -15.971 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.105 -15.992 9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.751 -16.232 7.685 1.00 0.00 H new ATOM 837 N SER A 55 9.795 -13.782 5.521 1.00 0.00 N ATOM 838 CA SER A 55 10.971 -13.618 4.678 1.00 0.00 C ATOM 839 C SER A 55 11.657 -12.297 5.089 1.00 0.00 C ATOM 840 O SER A 55 11.045 -11.460 5.768 1.00 0.00 O ATOM 841 CB SER A 55 10.549 -13.652 3.193 1.00 0.00 C ATOM 842 OG SER A 55 9.622 -14.702 2.942 1.00 0.00 O ATOM 0 H SER A 55 8.919 -13.709 5.004 1.00 0.00 H new ATOM 0 HA SER A 55 11.687 -14.429 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.102 -12.697 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.430 -13.784 2.565 1.00 0.00 H new ATOM 0 HG SER A 55 8.710 -14.375 3.088 1.00 0.00 H new ATOM 848 N ASN A 56 12.908 -12.061 4.703 1.00 0.00 N ATOM 849 CA ASN A 56 13.598 -10.822 5.079 1.00 0.00 C ATOM 850 C ASN A 56 13.423 -9.784 3.962 1.00 0.00 C ATOM 851 O ASN A 56 13.394 -10.179 2.798 1.00 0.00 O ATOM 852 CB ASN A 56 15.073 -11.110 5.354 1.00 0.00 C ATOM 853 CG ASN A 56 15.634 -10.276 6.495 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.004 -10.082 7.528 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.808 -9.716 6.301 1.00 0.00 N ATOM 0 H ASN A 56 13.463 -12.702 4.136 1.00 0.00 H new ATOM 0 HA ASN A 56 13.165 -10.416 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.194 -12.167 5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.651 -10.916 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.208 -9.109 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.319 -9.889 5.435 1.00 0.00 H new ATOM 862 N PRO A 57 13.398 -8.467 4.236 1.00 0.00 N ATOM 863 CA PRO A 57 13.205 -7.445 3.207 1.00 0.00 C ATOM 864 C PRO A 57 14.196 -7.464 2.048 1.00 0.00 C ATOM 865 O PRO A 57 13.802 -7.138 0.933 1.00 0.00 O ATOM 866 CB PRO A 57 13.215 -6.096 3.928 1.00 0.00 C ATOM 867 CG PRO A 57 13.829 -6.395 5.287 1.00 0.00 C ATOM 868 CD PRO A 57 13.417 -7.836 5.541 1.00 0.00 C ATOM 0 HA PRO A 57 12.258 -7.650 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.802 -5.358 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.208 -5.692 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.913 -6.282 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.448 -5.725 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.121 -8.334 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.437 -7.887 6.016 1.00 0.00 H new ATOM 876 N ASP A 58 15.456 -7.822 2.293 1.00 0.00 N ATOM 877 CA ASP A 58 16.478 -7.874 1.239 1.00 0.00 C ATOM 878 C ASP A 58 16.335 -9.119 0.367 1.00 0.00 C ATOM 879 O ASP A 58 16.828 -9.150 -0.759 1.00 0.00 O ATOM 880 CB ASP A 58 17.893 -7.857 1.835 1.00 0.00 C ATOM 881 CG ASP A 58 18.404 -6.463 2.183 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.854 -5.443 1.700 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.329 -6.360 3.026 1.00 0.00 O ATOM 0 H ASP A 58 15.799 -8.083 3.218 1.00 0.00 H new ATOM 0 HA ASP A 58 16.326 -6.988 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.904 -8.472 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.580 -8.318 1.126 1.00 0.00 H new ATOM 888 N GLU A 59 15.694 -10.164 0.882 1.00 0.00 N ATOM 889 CA GLU A 59 15.482 -11.415 0.170 1.00 0.00 C ATOM 890 C GLU A 59 14.243 -11.292 -0.742 1.00 0.00 C ATOM 891 O GLU A 59 14.080 -12.070 -1.685 1.00 0.00 O ATOM 892 CB GLU A 59 15.320 -12.541 1.207 1.00 0.00 C ATOM 893 CG GLU A 59 16.438 -12.637 2.255 1.00 0.00 C ATOM 894 CD GLU A 59 17.858 -12.897 1.764 1.00 0.00 C ATOM 895 OE1 GLU A 59 18.118 -13.930 1.111 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.764 -12.207 2.291 1.00 0.00 O ATOM 0 H GLU A 59 15.301 -10.163 1.823 1.00 0.00 H new ATOM 0 HA GLU A 59 16.334 -11.647 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.371 -12.401 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.258 -13.492 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.446 -11.706 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.175 -13.432 2.952 1.00 0.00 H new ATOM 903 N ILE A 60 13.378 -10.309 -0.468 1.00 0.00 N ATOM 904 CA ILE A 60 12.150 -10.024 -1.197 1.00 0.00 C ATOM 905 C ILE A 60 12.427 -8.986 -2.291 1.00 0.00 C ATOM 906 O ILE A 60 13.142 -8.001 -2.075 1.00 0.00 O ATOM 907 CB ILE A 60 11.084 -9.490 -0.203 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.692 -10.547 0.857 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.804 -9.008 -0.917 1.00 0.00 C ATOM 910 CD1 ILE A 60 10.049 -9.919 2.100 1.00 0.00 C ATOM 0 H ILE A 60 13.528 -9.663 0.307 1.00 0.00 H new ATOM 0 HA ILE A 60 11.778 -10.934 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 60 11.554 -8.641 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.998 -11.261 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.579 -11.106 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.090 -8.644 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.054 -8.202 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.362 -9.836 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.793 -10.703 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.751 -9.225 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.146 -9.382 1.810 1.00 0.00 H new ATOM 922 N GLU A 61 11.793 -9.180 -3.443 1.00 0.00 N ATOM 923 CA GLU A 61 11.839 -8.328 -4.621 1.00 0.00 C ATOM 924 C GLU A 61 10.376 -7.934 -4.796 1.00 0.00 C ATOM 925 O GLU A 61 9.540 -8.799 -5.055 1.00 0.00 O ATOM 926 CB GLU A 61 12.386 -9.083 -5.840 1.00 0.00 C ATOM 927 CG GLU A 61 13.869 -9.437 -5.689 1.00 0.00 C ATOM 928 CD GLU A 61 14.391 -10.088 -6.968 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.868 -9.343 -7.859 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.328 -11.329 -7.083 1.00 0.00 O ATOM 0 H GLU A 61 11.193 -9.993 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 61 12.503 -7.470 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.810 -9.997 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.250 -8.473 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.444 -8.537 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.004 -10.115 -4.846 1.00 0.00 H new ATOM 937 N ILE A 62 10.021 -6.676 -4.544 1.00 0.00 N ATOM 938 CA ILE A 62 8.640 -6.225 -4.656 1.00 0.00 C ATOM 939 C ILE A 62 8.223 -6.245 -6.134 1.00 0.00 C ATOM 940 O ILE A 62 8.852 -5.607 -6.980 1.00 0.00 O ATOM 941 CB ILE A 62 8.466 -4.864 -3.950 1.00 0.00 C ATOM 942 CG1 ILE A 62 8.851 -4.971 -2.450 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.007 -4.405 -4.078 1.00 0.00 C ATOM 944 CD1 ILE A 62 8.853 -3.640 -1.692 1.00 0.00 C ATOM 0 H ILE A 62 10.677 -5.949 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 62 7.959 -6.901 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 62 9.124 -4.136 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.156 -5.652 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.842 -5.418 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.883 -3.444 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.749 -4.303 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.352 -5.142 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.133 -3.813 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.570 -2.960 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.857 -3.198 -1.730 1.00 0.00 H new ATOM 956 N ASP A 63 7.129 -6.944 -6.436 1.00 0.00 N ATOM 957 CA ASP A 63 6.548 -7.130 -7.765 1.00 0.00 C ATOM 958 C ASP A 63 5.204 -6.407 -7.810 1.00 0.00 C ATOM 959 O ASP A 63 4.180 -6.892 -7.347 1.00 0.00 O ATOM 960 CB ASP A 63 6.460 -8.629 -8.126 1.00 0.00 C ATOM 961 CG ASP A 63 6.092 -9.582 -6.974 1.00 0.00 C ATOM 962 OD1 ASP A 63 5.119 -9.357 -6.223 1.00 0.00 O ATOM 963 OD2 ASP A 63 6.848 -10.552 -6.721 1.00 0.00 O ATOM 0 H ASP A 63 6.592 -7.425 -5.714 1.00 0.00 H new ATOM 0 HA ASP A 63 7.188 -6.691 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.722 -8.748 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.421 -8.940 -8.535 1.00 0.00 H new ATOM 968 N PHE A 64 5.171 -5.163 -8.294 1.00 0.00 N ATOM 969 CA PHE A 64 3.905 -4.421 -8.327 1.00 0.00 C ATOM 970 C PHE A 64 3.007 -4.997 -9.405 1.00 0.00 C ATOM 971 O PHE A 64 1.780 -4.904 -9.335 1.00 0.00 O ATOM 972 CB PHE A 64 4.140 -2.944 -8.638 1.00 0.00 C ATOM 973 CG PHE A 64 4.704 -2.097 -7.525 1.00 0.00 C ATOM 974 CD1 PHE A 64 6.056 -2.210 -7.150 1.00 0.00 C ATOM 975 CD2 PHE A 64 3.901 -1.101 -6.944 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.598 -1.326 -6.204 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.445 -0.230 -5.991 1.00 0.00 C ATOM 978 CZ PHE A 64 5.792 -0.331 -5.625 1.00 0.00 C ATOM 0 H PHE A 64 5.979 -4.659 -8.659 1.00 0.00 H new ATOM 0 HA PHE A 64 3.438 -4.511 -7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.816 -2.880 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.191 -2.507 -8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.676 -2.977 -7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.864 -1.007 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.637 -1.411 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.821 0.524 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.210 0.353 -4.901 1.00 0.00 H new ATOM 988 N GLU A 65 3.655 -5.602 -10.388 1.00 0.00 N ATOM 989 CA GLU A 65 3.093 -6.220 -11.545 1.00 0.00 C ATOM 990 C GLU A 65 2.327 -7.513 -11.264 1.00 0.00 C ATOM 991 O GLU A 65 1.577 -7.940 -12.143 1.00 0.00 O ATOM 992 CB GLU A 65 4.228 -6.340 -12.564 1.00 0.00 C ATOM 993 CG GLU A 65 5.441 -7.195 -12.165 1.00 0.00 C ATOM 994 CD GLU A 65 6.450 -7.299 -13.318 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.613 -6.329 -14.098 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.138 -8.333 -13.470 1.00 0.00 O ATOM 0 H GLU A 65 4.673 -5.671 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 65 2.295 -5.603 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.814 -6.750 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.583 -5.336 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.926 -6.758 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.108 -8.193 -11.879 1.00 0.00 H new ATOM 1003 N THR A 66 2.448 -8.101 -10.067 1.00 0.00 N ATOM 1004 CA THR A 66 1.732 -9.320 -9.694 1.00 0.00 C ATOM 1005 C THR A 66 0.988 -9.135 -8.362 1.00 0.00 C ATOM 1006 O THR A 66 0.040 -9.879 -8.090 1.00 0.00 O ATOM 1007 CB THR A 66 2.664 -10.544 -9.688 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.748 -10.326 -8.827 1.00 0.00 O ATOM 1009 CG2 THR A 66 3.236 -10.846 -11.072 1.00 0.00 C ATOM 0 H THR A 66 3.050 -7.739 -9.328 1.00 0.00 H new ATOM 0 HA THR A 66 0.976 -9.516 -10.455 1.00 0.00 H new ATOM 0 HB THR A 66 2.057 -11.387 -9.357 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.332 -11.113 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.887 -11.718 -11.014 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.421 -11.047 -11.767 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.809 -9.988 -11.424 1.00 0.00 H new ATOM 1017 N LEU A 67 1.334 -8.117 -7.558 1.00 0.00 N ATOM 1018 CA LEU A 67 0.691 -7.846 -6.270 1.00 0.00 C ATOM 1019 C LEU A 67 -0.764 -7.426 -6.442 1.00 0.00 C ATOM 1020 O LEU A 67 -1.158 -6.885 -7.478 1.00 0.00 O ATOM 1021 CB LEU A 67 1.421 -6.716 -5.519 1.00 0.00 C ATOM 1022 CG LEU A 67 2.648 -7.175 -4.717 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.400 -5.936 -4.219 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.279 -8.060 -3.535 1.00 0.00 C ATOM 0 H LEU A 67 2.075 -7.455 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 67 0.738 -8.775 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.735 -5.961 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.718 -6.235 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 67 3.275 -7.774 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.275 -6.247 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.718 -5.336 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.743 -5.343 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.184 -8.355 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.625 -7.510 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.763 -8.950 -3.894 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.570 -7.632 -5.400 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.981 -7.258 -5.419 1.00 0.00 C ATOM 1038 C LYS A 68 -3.114 -5.734 -5.378 1.00 0.00 C ATOM 1039 O LYS A 68 -2.310 -5.073 -4.718 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.699 -7.837 -4.193 1.00 0.00 C ATOM 1041 CG LYS A 68 -4.061 -9.312 -4.375 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.585 -9.918 -3.067 1.00 0.00 C ATOM 1043 CE LYS A 68 -5.909 -9.276 -2.636 1.00 0.00 C ATOM 1044 NZ LYS A 68 -6.444 -9.901 -1.415 1.00 0.00 N ATOM 0 H LYS A 68 -1.264 -8.060 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.429 -7.652 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.061 -7.727 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.606 -7.264 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.817 -9.410 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.184 -9.866 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.725 -10.992 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.842 -9.784 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.758 -8.210 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.638 -9.368 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.340 -9.441 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.612 -10.913 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.759 -9.791 -0.640 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.178 -5.161 -5.965 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.392 -3.718 -5.958 1.00 0.00 C ATOM 1060 C PRO A 69 -4.575 -3.199 -4.534 1.00 0.00 C ATOM 1061 O PRO A 69 -4.143 -2.094 -4.209 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.639 -3.483 -6.817 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.353 -4.837 -6.836 1.00 0.00 C ATOM 1064 CD PRO A 69 -5.200 -5.828 -6.756 1.00 0.00 C ATOM 0 HA PRO A 69 -3.534 -3.178 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.274 -2.706 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.372 -3.161 -7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.038 -4.945 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.940 -4.972 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.514 -6.761 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.828 -6.080 -7.749 1.00 0.00 H new ATOM 1072 N SER A 70 -5.205 -3.996 -3.671 1.00 0.00 N ATOM 1073 CA SER A 70 -5.444 -3.642 -2.286 1.00 0.00 C ATOM 1074 C SER A 70 -4.141 -3.550 -1.495 1.00 0.00 C ATOM 1075 O SER A 70 -4.064 -2.777 -0.542 1.00 0.00 O ATOM 1076 CB SER A 70 -6.428 -4.659 -1.696 1.00 0.00 C ATOM 1077 OG SER A 70 -6.083 -5.980 -2.084 1.00 0.00 O ATOM 0 H SER A 70 -5.565 -4.916 -3.925 1.00 0.00 H new ATOM 0 HA SER A 70 -5.886 -2.647 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.428 -4.583 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.439 -4.429 -2.031 1.00 0.00 H new ATOM 0 HG SER A 70 -6.826 -6.379 -2.583 1.00 0.00 H new ATOM 1083 N THR A 71 -3.122 -4.328 -1.869 1.00 0.00 N ATOM 1084 CA THR A 71 -1.837 -4.294 -1.197 1.00 0.00 C ATOM 1085 C THR A 71 -1.195 -2.944 -1.511 1.00 0.00 C ATOM 1086 O THR A 71 -0.734 -2.250 -0.604 1.00 0.00 O ATOM 1087 CB THR A 71 -0.985 -5.508 -1.630 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.710 -6.691 -1.318 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.378 -5.501 -0.934 1.00 0.00 C ATOM 0 H THR A 71 -3.171 -4.992 -2.642 1.00 0.00 H new ATOM 0 HA THR A 71 -1.935 -4.379 -0.115 1.00 0.00 H new ATOM 0 HB THR A 71 -0.793 -5.461 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.199 -7.475 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.956 -6.367 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.915 -4.588 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.235 -5.543 0.146 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.231 -2.538 -2.783 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.656 -1.282 -3.217 1.00 0.00 C ATOM 1099 C LEU A 72 -1.380 -0.096 -2.599 1.00 0.00 C ATOM 1100 O LEU A 72 -0.712 0.828 -2.169 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.654 -1.177 -4.741 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.027 -2.365 -5.479 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.002 -2.067 -6.971 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.385 -2.693 -4.995 1.00 0.00 C ATOM 0 H LEU A 72 -1.662 -3.078 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 72 0.378 -1.260 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.683 -1.061 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.119 -0.271 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.642 -3.240 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.443 -2.908 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.020 -1.910 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.589 -1.169 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.774 -3.543 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.032 -1.830 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.358 -2.941 -3.934 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.712 -0.093 -2.488 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.414 1.050 -1.888 1.00 0.00 C ATOM 1118 C ARG A 73 -2.914 1.323 -0.461 1.00 0.00 C ATOM 1119 O ARG A 73 -2.830 2.481 -0.068 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.929 0.816 -1.957 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.819 2.045 -1.690 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.835 3.145 -2.767 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.166 3.783 -2.820 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.588 4.802 -3.574 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -6.792 5.361 -4.471 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.832 5.245 -3.434 1.00 0.00 N ATOM 0 H ARG A 73 -3.318 -0.853 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.193 1.952 -2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.171 0.426 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.189 0.041 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.842 1.697 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.500 2.496 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.073 3.893 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.589 2.717 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.864 3.388 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.841 5.015 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.130 6.138 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.456 4.808 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.164 6.022 -4.005 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.540 0.296 0.309 1.00 0.00 N ATOM 1141 CA GLU A 74 -2.040 0.498 1.671 1.00 0.00 C ATOM 1142 C GLU A 74 -0.629 1.094 1.624 1.00 0.00 C ATOM 1143 O GLU A 74 -0.293 1.959 2.436 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.990 -0.842 2.421 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.362 -1.481 2.658 1.00 0.00 C ATOM 1146 CD GLU A 74 -4.157 -0.774 3.754 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -4.886 0.200 3.449 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.118 -1.249 4.916 1.00 0.00 O ATOM 0 H GLU A 74 -2.574 -0.680 0.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.713 1.181 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.370 -1.538 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.502 -0.689 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.933 -1.462 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.229 -2.528 2.929 1.00 0.00 H new ATOM 1155 N LEU A 75 0.204 0.617 0.691 1.00 0.00 N ATOM 1156 CA LEU A 75 1.575 1.086 0.499 1.00 0.00 C ATOM 1157 C LEU A 75 1.551 2.541 0.037 1.00 0.00 C ATOM 1158 O LEU A 75 2.378 3.340 0.474 1.00 0.00 O ATOM 1159 CB LEU A 75 2.292 0.255 -0.569 1.00 0.00 C ATOM 1160 CG LEU A 75 2.562 -1.210 -0.205 1.00 0.00 C ATOM 1161 CD1 LEU A 75 2.707 -2.030 -1.492 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.837 -1.303 0.629 1.00 0.00 C ATOM 0 H LEU A 75 -0.064 -0.119 0.038 1.00 0.00 H new ATOM 0 HA LEU A 75 2.105 0.988 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.696 0.279 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.244 0.734 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 75 1.732 -1.606 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.899 -3.073 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.787 -1.961 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.538 -1.640 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.028 -2.345 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.677 -0.912 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.718 -0.719 1.542 1.00 0.00 H new ATOM 1174 N GLU A 76 0.608 2.880 -0.841 1.00 0.00 N ATOM 1175 CA GLU A 76 0.409 4.214 -1.378 1.00 0.00 C ATOM 1176 C GLU A 76 0.148 5.127 -0.191 1.00 0.00 C ATOM 1177 O GLU A 76 0.821 6.128 0.004 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.802 4.204 -2.330 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.048 5.555 -3.005 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.094 5.766 -4.176 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -0.330 5.126 -5.227 1.00 0.00 O ATOM 1182 OE2 GLU A 76 0.846 6.572 -4.015 1.00 0.00 O ATOM 0 H GLU A 76 -0.061 2.203 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 76 1.277 4.557 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.647 3.445 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.693 3.916 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.078 5.607 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.919 6.357 -2.278 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.813 4.749 0.650 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.166 5.533 1.811 1.00 0.00 C ATOM 1191 C ARG A 77 0.026 5.679 2.744 1.00 0.00 C ATOM 1192 O ARG A 77 0.131 6.721 3.383 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.434 4.944 2.442 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.685 5.636 1.883 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.898 5.410 0.378 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.891 6.328 -0.177 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.688 7.416 -0.926 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -3.467 7.904 -1.167 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.767 8.023 -1.395 1.00 0.00 N ATOM 0 H ARG A 77 -1.360 3.895 0.539 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.415 6.558 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.483 3.874 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.398 5.064 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.560 5.275 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.612 6.707 2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.951 5.540 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.219 4.382 0.207 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.865 6.110 0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.647 7.443 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.356 8.737 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.694 7.655 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.672 8.858 -1.973 1.00 0.00 H new ATOM 1213 N TYR A 78 0.941 4.708 2.816 1.00 0.00 N ATOM 1214 CA TYR A 78 2.106 4.846 3.675 1.00 0.00 C ATOM 1215 C TYR A 78 2.940 6.024 3.153 1.00 0.00 C ATOM 1216 O TYR A 78 3.336 6.866 3.965 1.00 0.00 O ATOM 1217 CB TYR A 78 2.887 3.533 3.771 1.00 0.00 C ATOM 1218 CG TYR A 78 4.157 3.613 4.597 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.111 3.440 5.993 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.395 3.827 3.962 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.299 3.456 6.746 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.586 3.848 4.708 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.546 3.655 6.105 1.00 0.00 C ATOM 1224 OH TYR A 78 7.698 3.676 6.834 1.00 0.00 O ATOM 0 H TYR A 78 0.894 3.832 2.295 1.00 0.00 H new ATOM 0 HA TYR A 78 1.808 5.065 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.238 2.770 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.144 3.204 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.162 3.295 6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.430 3.976 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.260 3.316 7.816 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.531 4.012 4.212 1.00 0.00 H new ATOM 0 HH TYR A 78 8.436 3.329 6.290 1.00 0.00 H new ATOM 1234 N VAL A 79 3.192 6.125 1.836 1.00 0.00 N ATOM 1235 CA VAL A 79 3.959 7.241 1.293 1.00 0.00 C ATOM 1236 C VAL A 79 3.168 8.538 1.471 1.00 0.00 C ATOM 1237 O VAL A 79 3.732 9.500 1.996 1.00 0.00 O ATOM 1238 CB VAL A 79 4.460 7.023 -0.154 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.219 5.697 -0.262 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.448 7.051 -1.305 1.00 0.00 C ATOM 0 H VAL A 79 2.876 5.450 1.140 1.00 0.00 H new ATOM 0 HA VAL A 79 4.883 7.315 1.867 1.00 0.00 H new ATOM 0 HB VAL A 79 5.075 7.912 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.565 5.558 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.076 5.712 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.557 4.875 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.966 6.882 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.704 6.269 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.954 8.022 -1.332 1.00 0.00 H new ATOM 1250 N THR A 80 1.866 8.562 1.154 1.00 0.00 N ATOM 1251 CA THR A 80 1.048 9.763 1.289 1.00 0.00 C ATOM 1252 C THR A 80 0.991 10.268 2.739 1.00 0.00 C ATOM 1253 O THR A 80 0.781 11.455 2.982 1.00 0.00 O ATOM 1254 CB THR A 80 -0.396 9.515 0.800 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.561 8.576 -0.245 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.996 10.840 0.347 1.00 0.00 C ATOM 0 H THR A 80 1.358 7.752 0.799 1.00 0.00 H new ATOM 0 HA THR A 80 1.525 10.522 0.669 1.00 0.00 H new ATOM 0 HB THR A 80 -0.903 9.077 1.660 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.170 7.718 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.016 10.677 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.005 11.540 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.397 11.252 -0.465 1.00 0.00 H new ATOM 1264 N SER A 81 1.189 9.389 3.717 1.00 0.00 N ATOM 1265 CA SER A 81 1.153 9.726 5.135 1.00 0.00 C ATOM 1266 C SER A 81 2.529 10.093 5.692 1.00 0.00 C ATOM 1267 O SER A 81 2.610 10.689 6.772 1.00 0.00 O ATOM 1268 CB SER A 81 0.528 8.577 5.919 1.00 0.00 C ATOM 1269 OG SER A 81 -0.785 8.324 5.446 1.00 0.00 O ATOM 0 H SER A 81 1.383 8.403 3.542 1.00 0.00 H new ATOM 0 HA SER A 81 0.537 10.618 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.139 7.681 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.500 8.823 6.980 1.00 0.00 H new ATOM 0 HG SER A 81 -0.742 7.752 4.651 1.00 0.00 H new ATOM 1275 N CYS A 82 3.614 9.721 5.005 1.00 0.00 N ATOM 1276 CA CYS A 82 4.976 10.026 5.413 1.00 0.00 C ATOM 1277 C CYS A 82 5.407 11.330 4.755 1.00 0.00 C ATOM 1278 O CYS A 82 5.869 12.264 5.432 1.00 0.00 O ATOM 1279 CB CYS A 82 5.914 8.865 5.040 1.00 0.00 C ATOM 1280 SG CYS A 82 7.528 9.070 5.856 1.00 0.00 S ATOM 0 H CYS A 82 3.562 9.190 4.135 1.00 0.00 H new ATOM 0 HA CYS A 82 5.026 10.148 6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.466 7.917 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.047 8.829 3.959 1.00 0.00 H new ATOM 0 HG CYS A 82 7.731 10.329 6.106 1.00 0.00 H new ATOM 1286 N LEU A 83 5.284 11.389 3.430 1.00 0.00 N ATOM 1287 CA LEU A 83 5.666 12.531 2.610 1.00 0.00 C ATOM 1288 C LEU A 83 4.675 13.678 2.704 1.00 0.00 C ATOM 1289 O LEU A 83 5.001 14.784 2.274 1.00 0.00 O ATOM 1290 CB LEU A 83 5.752 12.095 1.136 1.00 0.00 C ATOM 1291 CG LEU A 83 6.676 10.900 0.850 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.709 10.678 -0.658 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.109 11.114 1.372 1.00 0.00 C ATOM 0 H LEU A 83 4.903 10.617 2.883 1.00 0.00 H new ATOM 0 HA LEU A 83 6.629 12.881 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.749 11.847 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.092 12.944 0.544 1.00 0.00 H new ATOM 0 HG LEU A 83 6.280 10.030 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.359 9.834 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.701 10.468 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.090 11.573 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.715 10.238 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.543 11.992 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.084 11.264 2.451 1.00 0.00 H new