USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HE2:sc= 1.02 K(o=1.7,f=-6!) USER MOD Set 1.2: A 46 GLN : amide:sc= 0.716 K(o=1.7,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 161:sc=-0.00708 (180deg=-0.985) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.461 K(o=0.46,f=-0.11) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.176 K(o=0.18,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0395 (180deg=-0.321) USER MOD Single : A 70 SER OG : rot 180:sc= 0.138 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 130:sc= 0 USER MOD Single : A 80 THR OG1 : rot 92:sc= 0.844 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 73:sc= 0.276 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.592 -0.146 -4.849 1.00 0.00 N ATOM 183 CA LYS A 16 -9.699 0.372 -6.207 1.00 0.00 C ATOM 184 C LYS A 16 -8.629 -0.270 -7.091 1.00 0.00 C ATOM 185 O LYS A 16 -7.592 -0.701 -6.575 1.00 0.00 O ATOM 186 CB LYS A 16 -9.507 1.897 -6.215 1.00 0.00 C ATOM 187 CG LYS A 16 -10.674 2.612 -5.536 1.00 0.00 C ATOM 188 CD LYS A 16 -10.747 4.092 -5.928 1.00 0.00 C ATOM 189 CE LYS A 16 -12.058 4.617 -5.349 1.00 0.00 C ATOM 190 NZ LYS A 16 -12.390 5.983 -5.780 1.00 0.00 N ATOM 0 HA LYS A 16 -10.690 0.133 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.577 2.150 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.413 2.247 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.608 2.119 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.571 2.528 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.896 4.644 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.724 4.210 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.867 3.947 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.000 4.593 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.291 6.274 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.637 6.634 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.477 6.009 -6.816 1.00 0.00 H new ATOM 204 N PRO A 17 -8.850 -0.362 -8.413 1.00 0.00 N ATOM 205 CA PRO A 17 -7.859 -0.926 -9.313 1.00 0.00 C ATOM 206 C PRO A 17 -6.675 0.044 -9.365 1.00 0.00 C ATOM 207 O PRO A 17 -6.798 1.223 -9.021 1.00 0.00 O ATOM 208 CB PRO A 17 -8.567 -1.048 -10.666 1.00 0.00 C ATOM 209 CG PRO A 17 -9.601 0.075 -10.628 1.00 0.00 C ATOM 210 CD PRO A 17 -10.018 0.089 -9.159 1.00 0.00 C ATOM 0 HA PRO A 17 -7.476 -1.899 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.871 -0.925 -11.496 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.038 -2.024 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.176 1.029 -10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.445 -0.127 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.320 1.089 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.870 -0.569 -8.988 1.00 0.00 H new ATOM 218 N MET A 18 -5.526 -0.448 -9.820 1.00 0.00 N ATOM 219 CA MET A 18 -4.310 0.333 -9.915 1.00 0.00 C ATOM 220 C MET A 18 -3.766 0.145 -11.317 1.00 0.00 C ATOM 221 O MET A 18 -3.562 -0.988 -11.762 1.00 0.00 O ATOM 222 CB MET A 18 -3.318 -0.141 -8.848 1.00 0.00 C ATOM 223 CG MET A 18 -3.883 0.003 -7.429 1.00 0.00 C ATOM 224 SD MET A 18 -4.076 1.700 -6.834 1.00 0.00 S ATOM 225 CE MET A 18 -2.479 1.905 -6.008 1.00 0.00 C ATOM 0 H MET A 18 -5.419 -1.412 -10.135 1.00 0.00 H new ATOM 0 HA MET A 18 -4.492 1.393 -9.737 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.061 -1.184 -9.031 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.396 0.434 -8.930 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.855 -0.489 -7.393 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.229 -0.532 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.271 2.967 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.508 1.417 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.694 1.455 -6.616 1.00 0.00 H new ATOM 235 N SER A 19 -3.623 1.241 -12.043 1.00 0.00 N ATOM 236 CA SER A 19 -3.096 1.215 -13.396 1.00 0.00 C ATOM 237 C SER A 19 -1.574 1.128 -13.354 1.00 0.00 C ATOM 238 O SER A 19 -0.968 1.251 -12.287 1.00 0.00 O ATOM 239 CB SER A 19 -3.500 2.511 -14.109 1.00 0.00 C ATOM 240 OG SER A 19 -4.904 2.666 -14.166 1.00 0.00 O ATOM 0 H SER A 19 -3.869 2.173 -11.711 1.00 0.00 H new ATOM 0 HA SER A 19 -3.495 0.350 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.062 3.363 -13.589 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.093 2.511 -15.120 1.00 0.00 H new ATOM 0 HG SER A 19 -5.122 3.504 -14.626 1.00 0.00 H new ATOM 246 N TYR A 20 -0.948 0.922 -14.514 1.00 0.00 N ATOM 247 CA TYR A 20 0.509 0.884 -14.625 1.00 0.00 C ATOM 248 C TYR A 20 1.041 2.248 -14.164 1.00 0.00 C ATOM 249 O TYR A 20 2.061 2.337 -13.487 1.00 0.00 O ATOM 250 CB TYR A 20 0.897 0.583 -16.073 1.00 0.00 C ATOM 251 CG TYR A 20 2.292 1.034 -16.437 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.411 0.388 -15.886 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.466 2.159 -17.264 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.702 0.846 -16.188 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.754 2.622 -17.564 1.00 0.00 C ATOM 256 CZ TYR A 20 4.884 1.955 -17.041 1.00 0.00 C ATOM 257 OH TYR A 20 6.138 2.376 -17.348 1.00 0.00 O ATOM 0 H TYR A 20 -1.435 0.778 -15.398 1.00 0.00 H new ATOM 0 HA TYR A 20 0.942 0.101 -14.002 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.816 -0.490 -16.245 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.183 1.068 -16.739 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.278 -0.460 -15.231 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.604 2.668 -17.669 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.561 0.347 -15.765 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.883 3.489 -18.195 1.00 0.00 H new ATOM 0 HH TYR A 20 6.086 3.150 -17.947 1.00 0.00 H new ATOM 267 N GLU A 21 0.291 3.300 -14.487 1.00 0.00 N ATOM 268 CA GLU A 21 0.577 4.678 -14.147 1.00 0.00 C ATOM 269 C GLU A 21 0.625 4.842 -12.620 1.00 0.00 C ATOM 270 O GLU A 21 1.516 5.520 -12.109 1.00 0.00 O ATOM 271 CB GLU A 21 -0.513 5.545 -14.808 1.00 0.00 C ATOM 272 CG GLU A 21 -0.370 5.566 -16.345 1.00 0.00 C ATOM 273 CD GLU A 21 -1.710 5.619 -17.082 1.00 0.00 C ATOM 274 OE1 GLU A 21 -2.468 4.620 -17.040 1.00 0.00 O ATOM 275 OE2 GLU A 21 -1.986 6.611 -17.789 1.00 0.00 O ATOM 0 H GLU A 21 -0.574 3.201 -15.019 1.00 0.00 H new ATOM 0 HA GLU A 21 1.553 4.994 -14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.497 5.161 -14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.452 6.563 -14.423 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.229 6.429 -16.634 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.176 4.678 -16.663 1.00 0.00 H new ATOM 282 N GLU A 22 -0.306 4.209 -11.896 1.00 0.00 N ATOM 283 CA GLU A 22 -0.371 4.279 -10.433 1.00 0.00 C ATOM 284 C GLU A 22 0.795 3.489 -9.844 1.00 0.00 C ATOM 285 O GLU A 22 1.480 3.939 -8.934 1.00 0.00 O ATOM 286 CB GLU A 22 -1.687 3.676 -9.905 1.00 0.00 C ATOM 287 CG GLU A 22 -2.963 4.367 -10.401 1.00 0.00 C ATOM 288 CD GLU A 22 -3.089 5.821 -9.939 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.873 6.099 -8.739 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.496 6.663 -10.778 1.00 0.00 O ATOM 0 H GLU A 22 -1.038 3.632 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.321 5.327 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.727 2.625 -10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.673 3.711 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.983 4.337 -11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.830 3.806 -10.051 1.00 0.00 H new ATOM 297 N LYS A 23 1.028 2.283 -10.368 1.00 0.00 N ATOM 298 CA LYS A 23 2.096 1.395 -9.923 1.00 0.00 C ATOM 299 C LYS A 23 3.446 2.101 -10.024 1.00 0.00 C ATOM 300 O LYS A 23 4.260 2.009 -9.109 1.00 0.00 O ATOM 301 CB LYS A 23 2.071 0.136 -10.795 1.00 0.00 C ATOM 302 CG LYS A 23 0.878 -0.744 -10.434 1.00 0.00 C ATOM 303 CD LYS A 23 0.574 -1.742 -11.539 1.00 0.00 C ATOM 304 CE LYS A 23 -0.725 -2.437 -11.163 1.00 0.00 C ATOM 305 NZ LYS A 23 -1.084 -3.491 -12.124 1.00 0.00 N ATOM 0 H LYS A 23 0.468 1.893 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 23 1.946 1.118 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.018 0.417 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.997 -0.424 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.084 -1.277 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.003 -0.119 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.477 -1.236 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.383 -2.465 -11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.629 -2.871 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.528 -1.702 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.975 -3.939 -11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.201 -3.074 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.330 -4.206 -12.152 1.00 0.00 H new ATOM 319 N ARG A 24 3.696 2.794 -11.135 1.00 0.00 N ATOM 320 CA ARG A 24 4.947 3.508 -11.319 1.00 0.00 C ATOM 321 C ARG A 24 4.994 4.724 -10.417 1.00 0.00 C ATOM 322 O ARG A 24 6.039 4.928 -9.807 1.00 0.00 O ATOM 323 CB ARG A 24 5.137 3.889 -12.783 1.00 0.00 C ATOM 324 CG ARG A 24 5.588 2.697 -13.633 1.00 0.00 C ATOM 325 CD ARG A 24 7.047 2.288 -13.374 1.00 0.00 C ATOM 326 NE ARG A 24 7.340 0.955 -13.928 1.00 0.00 N ATOM 327 CZ ARG A 24 8.425 0.570 -14.609 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.371 1.448 -14.926 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.577 -0.695 -14.981 1.00 0.00 N ATOM 0 H ARG A 24 3.046 2.872 -11.917 1.00 0.00 H new ATOM 0 HA ARG A 24 5.772 2.852 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.201 4.283 -13.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.876 4.687 -12.857 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.937 1.847 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.468 2.945 -14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.717 3.024 -13.819 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.241 2.288 -12.301 1.00 0.00 H new ATOM 0 HE ARG A 24 6.630 0.239 -13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.273 2.425 -14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.195 1.145 -15.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.862 -1.385 -14.748 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.408 -0.978 -15.500 1.00 0.00 H new ATOM 343 N GLN A 25 3.918 5.509 -10.302 1.00 0.00 N ATOM 344 CA GLN A 25 3.917 6.677 -9.424 1.00 0.00 C ATOM 345 C GLN A 25 4.297 6.235 -8.005 1.00 0.00 C ATOM 346 O GLN A 25 5.141 6.860 -7.363 1.00 0.00 O ATOM 347 CB GLN A 25 2.552 7.385 -9.459 1.00 0.00 C ATOM 348 CG GLN A 25 2.478 8.578 -8.492 1.00 0.00 C ATOM 349 CD GLN A 25 3.526 9.638 -8.817 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.296 10.552 -9.602 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.723 9.536 -8.269 1.00 0.00 N ATOM 0 H GLN A 25 3.043 5.356 -10.804 1.00 0.00 H new ATOM 0 HA GLN A 25 4.654 7.401 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.353 7.732 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.769 6.669 -9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.484 9.023 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.621 8.227 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.922 8.779 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.449 10.215 -8.499 1.00 0.00 H new ATOM 360 N LEU A 26 3.732 5.121 -7.545 1.00 0.00 N ATOM 361 CA LEU A 26 4.008 4.564 -6.233 1.00 0.00 C ATOM 362 C LEU A 26 5.509 4.274 -6.092 1.00 0.00 C ATOM 363 O LEU A 26 6.081 4.531 -5.036 1.00 0.00 O ATOM 364 CB LEU A 26 3.135 3.315 -6.080 1.00 0.00 C ATOM 365 CG LEU A 26 3.165 2.682 -4.688 1.00 0.00 C ATOM 366 CD1 LEU A 26 2.740 3.676 -3.616 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.212 1.485 -4.680 1.00 0.00 C ATOM 0 H LEU A 26 3.060 4.576 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 26 3.763 5.262 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.105 3.576 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.457 2.572 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 26 4.185 2.367 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.773 3.194 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.418 4.530 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.725 4.017 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.220 1.020 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.202 1.822 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.534 0.759 -5.426 1.00 0.00 H new ATOM 379 N SER A 27 6.155 3.770 -7.149 1.00 0.00 N ATOM 380 CA SER A 27 7.580 3.465 -7.187 1.00 0.00 C ATOM 381 C SER A 27 8.401 4.747 -6.987 1.00 0.00 C ATOM 382 O SER A 27 9.414 4.721 -6.279 1.00 0.00 O ATOM 383 CB SER A 27 7.928 2.791 -8.522 1.00 0.00 C ATOM 384 OG SER A 27 9.185 2.143 -8.469 1.00 0.00 O ATOM 0 H SER A 27 5.681 3.558 -8.027 1.00 0.00 H new ATOM 0 HA SER A 27 7.825 2.778 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.155 2.066 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.937 3.538 -9.316 1.00 0.00 H new ATOM 0 HG SER A 27 9.374 1.724 -9.334 1.00 0.00 H new ATOM 390 N LEU A 28 8.008 5.867 -7.611 1.00 0.00 N ATOM 391 CA LEU A 28 8.709 7.139 -7.474 1.00 0.00 C ATOM 392 C LEU A 28 8.674 7.569 -6.012 1.00 0.00 C ATOM 393 O LEU A 28 9.699 7.972 -5.470 1.00 0.00 O ATOM 394 CB LEU A 28 8.050 8.214 -8.357 1.00 0.00 C ATOM 395 CG LEU A 28 8.554 8.317 -9.799 1.00 0.00 C ATOM 396 CD1 LEU A 28 9.962 8.913 -9.851 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.509 7.024 -10.606 1.00 0.00 C ATOM 0 H LEU A 28 7.194 5.910 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 28 9.743 7.019 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.977 8.023 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.190 9.183 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 28 7.840 8.985 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.293 8.974 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.951 9.912 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.647 8.279 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.888 7.209 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.126 6.269 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.481 6.668 -10.666 1.00 0.00 H new ATOM 409 N ASP A 29 7.506 7.493 -5.370 1.00 0.00 N ATOM 410 CA ASP A 29 7.342 7.867 -3.966 1.00 0.00 C ATOM 411 C ASP A 29 8.159 6.944 -3.068 1.00 0.00 C ATOM 412 O ASP A 29 8.837 7.408 -2.150 1.00 0.00 O ATOM 413 CB ASP A 29 5.865 7.864 -3.575 1.00 0.00 C ATOM 414 CG ASP A 29 5.231 9.169 -4.040 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.463 10.199 -3.372 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.606 9.199 -5.124 1.00 0.00 O ATOM 0 H ASP A 29 6.646 7.169 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 29 7.717 8.881 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.356 7.014 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.761 7.758 -2.495 1.00 0.00 H new ATOM 421 N ILE A 30 8.142 5.641 -3.350 1.00 0.00 N ATOM 422 CA ILE A 30 8.879 4.614 -2.619 1.00 0.00 C ATOM 423 C ILE A 30 10.384 4.933 -2.654 1.00 0.00 C ATOM 424 O ILE A 30 11.097 4.665 -1.682 1.00 0.00 O ATOM 425 CB ILE A 30 8.510 3.237 -3.236 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.197 2.741 -2.597 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.598 2.160 -3.130 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.577 1.541 -3.322 1.00 0.00 C ATOM 0 H ILE A 30 7.595 5.260 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 30 8.609 4.586 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 30 8.394 3.404 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.388 2.469 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.477 3.559 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.243 1.238 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.497 2.499 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.828 1.977 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.657 1.247 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.354 1.815 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.279 0.707 -3.312 1.00 0.00 H new ATOM 440 N ASN A 31 10.889 5.506 -3.751 1.00 0.00 N ATOM 441 CA ASN A 31 12.301 5.859 -3.893 1.00 0.00 C ATOM 442 C ASN A 31 12.700 7.057 -3.039 1.00 0.00 C ATOM 443 O ASN A 31 13.893 7.264 -2.817 1.00 0.00 O ATOM 444 CB ASN A 31 12.653 6.146 -5.356 1.00 0.00 C ATOM 445 CG ASN A 31 13.103 4.876 -6.041 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.280 4.528 -6.011 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.184 4.135 -6.631 1.00 0.00 N ATOM 0 H ASN A 31 10.325 5.738 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 31 12.862 4.993 -3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.787 6.559 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.443 6.896 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.446 3.254 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.212 4.443 -6.644 1.00 0.00 H new ATOM 454 N LYS A 32 11.753 7.875 -2.576 1.00 0.00 N ATOM 455 CA LYS A 32 12.091 9.030 -1.747 1.00 0.00 C ATOM 456 C LYS A 32 12.339 8.621 -0.303 1.00 0.00 C ATOM 457 O LYS A 32 12.901 9.415 0.455 1.00 0.00 O ATOM 458 CB LYS A 32 10.962 10.071 -1.777 1.00 0.00 C ATOM 459 CG LYS A 32 10.524 10.504 -3.178 1.00 0.00 C ATOM 460 CD LYS A 32 11.684 10.923 -4.086 1.00 0.00 C ATOM 461 CE LYS A 32 11.107 11.614 -5.319 1.00 0.00 C ATOM 462 NZ LYS A 32 12.141 12.147 -6.230 1.00 0.00 N ATOM 0 H LYS A 32 10.756 7.760 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 32 13.003 9.463 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.098 9.664 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.286 10.953 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.984 9.683 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.825 11.336 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.357 11.596 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.270 10.052 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.483 10.906 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.459 12.430 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.684 12.603 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.723 12.845 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.745 11.369 -6.562 1.00 0.00 H new ATOM 476 N LEU A 33 11.902 7.431 0.103 1.00 0.00 N ATOM 477 CA LEU A 33 12.081 6.986 1.470 1.00 0.00 C ATOM 478 C LEU A 33 13.536 6.632 1.767 1.00 0.00 C ATOM 479 O LEU A 33 14.235 6.131 0.882 1.00 0.00 O ATOM 480 CB LEU A 33 11.166 5.787 1.764 1.00 0.00 C ATOM 481 CG LEU A 33 9.669 6.136 1.701 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.832 4.920 2.096 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.349 7.325 2.615 1.00 0.00 C ATOM 0 H LEU A 33 11.422 6.763 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 33 11.806 7.813 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.378 4.993 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.399 5.394 2.754 1.00 0.00 H new ATOM 0 HG LEU A 33 9.421 6.418 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.774 5.176 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.038 4.098 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.087 4.617 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.285 7.554 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.608 7.073 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.926 8.194 2.298 1.00 0.00 H new ATOM 495 N PRO A 34 13.991 6.879 3.007 1.00 0.00 N ATOM 496 CA PRO A 34 15.341 6.561 3.434 1.00 0.00 C ATOM 497 C PRO A 34 15.430 5.061 3.709 1.00 0.00 C ATOM 498 O PRO A 34 14.419 4.424 4.032 1.00 0.00 O ATOM 499 CB PRO A 34 15.522 7.322 4.749 1.00 0.00 C ATOM 500 CG PRO A 34 14.124 7.349 5.346 1.00 0.00 C ATOM 501 CD PRO A 34 13.242 7.478 4.107 1.00 0.00 C ATOM 0 HA PRO A 34 16.093 6.826 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.229 6.819 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.904 8.329 4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.905 6.441 5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.990 8.188 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.290 6.968 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.015 8.523 3.899 1.00 0.00 H new ATOM 509 N GLY A 35 16.640 4.498 3.682 1.00 0.00 N ATOM 510 CA GLY A 35 16.818 3.077 3.954 1.00 0.00 C ATOM 511 C GLY A 35 16.278 2.739 5.346 1.00 0.00 C ATOM 512 O GLY A 35 15.583 1.737 5.505 1.00 0.00 O ATOM 0 H GLY A 35 17.502 5.002 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.298 2.486 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.874 2.816 3.891 1.00 0.00 H new ATOM 516 N GLU A 36 16.482 3.627 6.328 1.00 0.00 N ATOM 517 CA GLU A 36 16.029 3.440 7.704 1.00 0.00 C ATOM 518 C GLU A 36 14.505 3.289 7.836 1.00 0.00 C ATOM 519 O GLU A 36 14.052 2.814 8.877 1.00 0.00 O ATOM 520 CB GLU A 36 16.562 4.559 8.611 1.00 0.00 C ATOM 521 CG GLU A 36 16.065 5.959 8.216 1.00 0.00 C ATOM 522 CD GLU A 36 15.920 6.936 9.383 1.00 0.00 C ATOM 523 OE1 GLU A 36 15.211 6.627 10.371 1.00 0.00 O ATOM 524 OE2 GLU A 36 16.463 8.059 9.286 1.00 0.00 O ATOM 0 H GLU A 36 16.975 4.508 6.182 1.00 0.00 H new ATOM 0 HA GLU A 36 16.448 2.490 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.266 4.354 9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.652 4.548 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.756 6.383 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.100 5.861 7.720 1.00 0.00 H new ATOM 531 N LYS A 37 13.698 3.698 6.846 1.00 0.00 N ATOM 532 CA LYS A 37 12.238 3.542 6.911 1.00 0.00 C ATOM 533 C LYS A 37 11.761 2.570 5.830 1.00 0.00 C ATOM 534 O LYS A 37 10.669 2.013 5.947 1.00 0.00 O ATOM 535 CB LYS A 37 11.514 4.887 6.808 1.00 0.00 C ATOM 536 CG LYS A 37 11.882 5.892 7.916 1.00 0.00 C ATOM 537 CD LYS A 37 11.468 7.326 7.561 1.00 0.00 C ATOM 538 CE LYS A 37 10.019 7.705 7.882 1.00 0.00 C ATOM 539 NZ LYS A 37 9.834 8.152 9.273 1.00 0.00 N ATOM 0 H LYS A 37 14.033 4.140 5.990 1.00 0.00 H new ATOM 0 HA LYS A 37 11.989 3.125 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.738 5.334 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.439 4.711 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.398 5.596 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.957 5.859 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.128 8.015 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.635 7.478 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.699 8.498 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.375 6.846 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.835 8.394 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.111 7.389 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.425 8.989 9.450 1.00 0.00 H new ATOM 553 N LEU A 38 12.578 2.307 4.808 1.00 0.00 N ATOM 554 CA LEU A 38 12.278 1.399 3.710 1.00 0.00 C ATOM 555 C LEU A 38 11.951 0.008 4.236 1.00 0.00 C ATOM 556 O LEU A 38 10.982 -0.592 3.782 1.00 0.00 O ATOM 557 CB LEU A 38 13.459 1.393 2.739 1.00 0.00 C ATOM 558 CG LEU A 38 13.280 0.467 1.519 1.00 0.00 C ATOM 559 CD1 LEU A 38 14.153 1.018 0.395 1.00 0.00 C ATOM 560 CD2 LEU A 38 13.701 -0.992 1.757 1.00 0.00 C ATOM 0 H LEU A 38 13.498 2.738 4.724 1.00 0.00 H new ATOM 0 HA LEU A 38 11.393 1.739 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.627 2.410 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.356 1.091 3.280 1.00 0.00 H new ATOM 0 HG LEU A 38 12.215 0.453 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.052 0.386 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.837 2.033 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.195 1.029 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.541 -1.570 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.756 -1.027 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.105 -1.415 2.565 1.00 0.00 H new ATOM 572 N GLY A 39 12.667 -0.495 5.243 1.00 0.00 N ATOM 573 CA GLY A 39 12.379 -1.823 5.780 1.00 0.00 C ATOM 574 C GLY A 39 11.000 -1.928 6.442 1.00 0.00 C ATOM 575 O GLY A 39 10.583 -3.017 6.825 1.00 0.00 O ATOM 0 H GLY A 39 13.440 -0.009 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.443 -2.554 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.145 -2.085 6.510 1.00 0.00 H new ATOM 579 N ARG A 40 10.271 -0.820 6.621 1.00 0.00 N ATOM 580 CA ARG A 40 8.925 -0.852 7.182 1.00 0.00 C ATOM 581 C ARG A 40 7.937 -1.064 6.029 1.00 0.00 C ATOM 582 O ARG A 40 6.833 -1.562 6.249 1.00 0.00 O ATOM 583 CB ARG A 40 8.640 0.468 7.916 1.00 0.00 C ATOM 584 CG ARG A 40 7.411 0.378 8.825 1.00 0.00 C ATOM 585 CD ARG A 40 7.681 -0.436 10.089 1.00 0.00 C ATOM 586 NE ARG A 40 6.693 -0.185 11.151 1.00 0.00 N ATOM 587 CZ ARG A 40 5.393 -0.502 11.129 1.00 0.00 C ATOM 588 NH1 ARG A 40 4.840 -1.051 10.050 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.645 -0.256 12.195 1.00 0.00 N ATOM 0 H ARG A 40 10.599 0.116 6.381 1.00 0.00 H new ATOM 0 HA ARG A 40 8.823 -1.664 7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.510 0.744 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.490 1.262 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.094 1.383 9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.587 -0.075 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.678 -1.497 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.677 -0.199 10.462 1.00 0.00 H new ATOM 0 HE ARG A 40 7.035 0.279 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.409 -1.236 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.848 -1.287 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.061 0.171 13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.653 -0.494 12.188 1.00 0.00 H new ATOM 603 N VAL A 41 8.311 -0.683 4.804 1.00 0.00 N ATOM 604 CA VAL A 41 7.513 -0.816 3.597 1.00 0.00 C ATOM 605 C VAL A 41 7.268 -2.296 3.341 1.00 0.00 C ATOM 606 O VAL A 41 6.119 -2.719 3.283 1.00 0.00 O ATOM 607 CB VAL A 41 8.217 -0.131 2.403 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.427 -0.305 1.101 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.440 1.361 2.693 1.00 0.00 C ATOM 0 H VAL A 41 9.220 -0.255 4.626 1.00 0.00 H new ATOM 0 HA VAL A 41 6.552 -0.317 3.722 1.00 0.00 H new ATOM 0 HB VAL A 41 9.184 -0.617 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.955 0.191 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.326 -1.367 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.437 0.137 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.937 1.827 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.479 1.846 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.063 1.470 3.581 1.00 0.00 H new ATOM 619 N VAL A 42 8.334 -3.090 3.251 1.00 0.00 N ATOM 620 CA VAL A 42 8.293 -4.527 2.993 1.00 0.00 C ATOM 621 C VAL A 42 7.331 -5.259 3.945 1.00 0.00 C ATOM 622 O VAL A 42 6.609 -6.168 3.532 1.00 0.00 O ATOM 623 CB VAL A 42 9.745 -5.057 2.992 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.467 -4.859 4.317 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.832 -6.525 2.570 1.00 0.00 C ATOM 0 H VAL A 42 9.284 -2.736 3.360 1.00 0.00 H new ATOM 0 HA VAL A 42 7.870 -4.731 2.010 1.00 0.00 H new ATOM 0 HB VAL A 42 10.256 -4.448 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.480 -5.255 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.509 -3.796 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.930 -5.385 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.873 -6.847 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.252 -7.137 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.433 -6.638 1.562 1.00 0.00 H new ATOM 635 N HIS A 43 7.260 -4.832 5.210 1.00 0.00 N ATOM 636 CA HIS A 43 6.386 -5.436 6.207 1.00 0.00 C ATOM 637 C HIS A 43 4.901 -5.260 5.860 1.00 0.00 C ATOM 638 O HIS A 43 4.076 -6.063 6.307 1.00 0.00 O ATOM 639 CB HIS A 43 6.735 -4.887 7.596 1.00 0.00 C ATOM 640 CG HIS A 43 8.072 -5.368 8.117 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.702 -6.552 7.798 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.861 -4.722 9.029 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.852 -6.605 8.485 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.986 -5.523 9.275 1.00 0.00 N ATOM 0 H HIS A 43 7.813 -4.053 5.568 1.00 0.00 H new ATOM 0 HA HIS A 43 6.556 -6.513 6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.740 -3.798 7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.954 -5.177 8.299 1.00 0.00 H new ATOM 0 HD1 HIS A 43 8.355 -7.262 7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.654 -3.763 9.481 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.573 -7.406 8.414 1.00 0.00 H new ATOM 652 N ILE A 44 4.534 -4.229 5.090 1.00 0.00 N ATOM 653 CA ILE A 44 3.155 -3.991 4.678 1.00 0.00 C ATOM 654 C ILE A 44 2.786 -5.100 3.689 1.00 0.00 C ATOM 655 O ILE A 44 1.721 -5.702 3.824 1.00 0.00 O ATOM 656 CB ILE A 44 2.992 -2.588 4.046 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.324 -1.460 5.047 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.565 -2.398 3.497 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.548 -0.092 4.387 1.00 0.00 C ATOM 0 H ILE A 44 5.193 -3.535 4.736 1.00 0.00 H new ATOM 0 HA ILE A 44 2.487 -4.012 5.539 1.00 0.00 H new ATOM 0 HB ILE A 44 3.704 -2.526 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.511 -1.376 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.219 -1.734 5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.473 -1.405 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.365 -3.152 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.846 -2.503 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.776 0.649 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.381 -0.158 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.646 0.206 3.852 1.00 0.00 H new ATOM 671 N ILE A 45 3.646 -5.395 2.704 1.00 0.00 N ATOM 672 CA ILE A 45 3.364 -6.440 1.725 1.00 0.00 C ATOM 673 C ILE A 45 3.221 -7.785 2.443 1.00 0.00 C ATOM 674 O ILE A 45 2.294 -8.528 2.124 1.00 0.00 O ATOM 675 CB ILE A 45 4.385 -6.473 0.566 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.506 -5.118 -0.166 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.914 -7.512 -0.456 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.724 -4.320 0.293 1.00 0.00 C ATOM 0 H ILE A 45 4.540 -4.922 2.569 1.00 0.00 H new ATOM 0 HA ILE A 45 2.415 -6.211 1.239 1.00 0.00 H new ATOM 0 HB ILE A 45 5.358 -6.714 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.572 -5.292 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.604 -4.532 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.620 -7.553 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.856 -8.491 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.930 -7.233 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.766 -3.376 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.647 -4.121 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.630 -4.893 0.095 1.00 0.00 H new ATOM 690 N GLN A 46 4.030 -8.067 3.470 1.00 0.00 N ATOM 691 CA GLN A 46 3.943 -9.321 4.222 1.00 0.00 C ATOM 692 C GLN A 46 2.553 -9.508 4.861 1.00 0.00 C ATOM 693 O GLN A 46 2.156 -10.636 5.143 1.00 0.00 O ATOM 694 CB GLN A 46 5.060 -9.380 5.271 1.00 0.00 C ATOM 695 CG GLN A 46 6.439 -9.576 4.617 1.00 0.00 C ATOM 696 CD GLN A 46 7.531 -9.746 5.668 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.744 -8.869 6.503 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.221 -10.872 5.686 1.00 0.00 N ATOM 0 H GLN A 46 4.759 -7.435 3.801 1.00 0.00 H new ATOM 0 HA GLN A 46 4.079 -10.149 3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.061 -8.460 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.866 -10.198 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.415 -10.452 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.670 -8.718 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.037 -11.594 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.938 -11.020 6.397 1.00 0.00 H new ATOM 707 N SER A 47 1.794 -8.429 5.092 1.00 0.00 N ATOM 708 CA SER A 47 0.450 -8.501 5.661 1.00 0.00 C ATOM 709 C SER A 47 -0.559 -8.969 4.604 1.00 0.00 C ATOM 710 O SER A 47 -1.688 -9.355 4.916 1.00 0.00 O ATOM 711 CB SER A 47 0.071 -7.098 6.170 1.00 0.00 C ATOM 712 OG SER A 47 -1.183 -7.060 6.818 1.00 0.00 O ATOM 0 H SER A 47 2.101 -7.478 4.887 1.00 0.00 H new ATOM 0 HA SER A 47 0.432 -9.219 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.840 -6.749 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.059 -6.405 5.329 1.00 0.00 H new ATOM 0 HG SER A 47 -1.368 -6.146 7.120 1.00 0.00 H new ATOM 718 N ARG A 48 -0.198 -8.890 3.324 1.00 0.00 N ATOM 719 CA ARG A 48 -1.025 -9.274 2.187 1.00 0.00 C ATOM 720 C ARG A 48 -0.582 -10.610 1.602 1.00 0.00 C ATOM 721 O ARG A 48 -1.448 -11.384 1.191 1.00 0.00 O ATOM 722 CB ARG A 48 -0.966 -8.166 1.115 1.00 0.00 C ATOM 723 CG ARG A 48 -1.213 -6.723 1.609 1.00 0.00 C ATOM 724 CD ARG A 48 -2.636 -6.426 2.093 1.00 0.00 C ATOM 725 NE ARG A 48 -2.956 -7.115 3.350 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.179 -7.368 3.817 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.247 -6.753 3.314 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.306 -8.240 4.809 1.00 0.00 N ATOM 0 H ARG A 48 0.718 -8.542 3.042 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.053 -9.395 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.014 -8.202 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.703 -8.395 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.520 -6.513 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.972 -6.034 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.753 -5.351 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.348 -6.728 1.325 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.170 -7.429 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.137 -6.076 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.175 -6.959 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.480 -8.698 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.230 -8.453 5.186 1.00 0.00 H new ATOM 742 N GLU A 49 0.720 -10.898 1.636 1.00 0.00 N ATOM 743 CA GLU A 49 1.337 -12.108 1.094 1.00 0.00 C ATOM 744 C GLU A 49 1.651 -13.133 2.198 1.00 0.00 C ATOM 745 O GLU A 49 2.732 -13.077 2.794 1.00 0.00 O ATOM 746 CB GLU A 49 2.629 -11.741 0.338 1.00 0.00 C ATOM 747 CG GLU A 49 2.504 -10.703 -0.780 1.00 0.00 C ATOM 748 CD GLU A 49 1.542 -11.101 -1.892 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.320 -10.874 -1.732 1.00 0.00 O ATOM 750 OE2 GLU A 49 2.002 -11.581 -2.954 1.00 0.00 O ATOM 0 H GLU A 49 1.401 -10.268 2.060 1.00 0.00 H new ATOM 0 HA GLU A 49 0.625 -12.567 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.354 -11.373 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.043 -12.654 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.173 -9.758 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.490 -10.529 -1.212 1.00 0.00 H new ATOM 757 N PRO A 50 0.771 -14.107 2.490 1.00 0.00 N ATOM 758 CA PRO A 50 1.032 -15.097 3.531 1.00 0.00 C ATOM 759 C PRO A 50 2.263 -15.977 3.267 1.00 0.00 C ATOM 760 O PRO A 50 2.836 -16.499 4.218 1.00 0.00 O ATOM 761 CB PRO A 50 -0.248 -15.925 3.643 1.00 0.00 C ATOM 762 CG PRO A 50 -0.917 -15.754 2.282 1.00 0.00 C ATOM 763 CD PRO A 50 -0.541 -14.328 1.902 1.00 0.00 C ATOM 0 HA PRO A 50 1.279 -14.594 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.029 -16.972 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.887 -15.566 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.548 -16.478 1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.997 -15.886 2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.513 -14.204 0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.269 -13.614 2.286 1.00 0.00 H new ATOM 771 N SER A 51 2.705 -16.152 2.019 1.00 0.00 N ATOM 772 CA SER A 51 3.880 -16.964 1.721 1.00 0.00 C ATOM 773 C SER A 51 5.130 -16.164 2.111 1.00 0.00 C ATOM 774 O SER A 51 5.928 -16.598 2.947 1.00 0.00 O ATOM 775 CB SER A 51 3.852 -17.380 0.236 1.00 0.00 C ATOM 776 OG SER A 51 4.470 -18.633 -0.016 1.00 0.00 O ATOM 0 H SER A 51 2.262 -15.739 1.198 1.00 0.00 H new ATOM 0 HA SER A 51 3.890 -17.889 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.816 -17.421 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.350 -16.613 -0.357 1.00 0.00 H new ATOM 0 HG SER A 51 4.417 -18.838 -0.973 1.00 0.00 H new ATOM 782 N LEU A 52 5.256 -14.951 1.568 1.00 0.00 N ATOM 783 CA LEU A 52 6.379 -14.036 1.790 1.00 0.00 C ATOM 784 C LEU A 52 6.482 -13.519 3.231 1.00 0.00 C ATOM 785 O LEU A 52 7.552 -13.060 3.640 1.00 0.00 O ATOM 786 CB LEU A 52 6.324 -12.866 0.788 1.00 0.00 C ATOM 787 CG LEU A 52 6.708 -13.169 -0.678 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.115 -13.759 -0.822 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.711 -14.078 -1.408 1.00 0.00 C ATOM 0 H LEU A 52 4.553 -14.564 0.938 1.00 0.00 H new ATOM 0 HA LEU A 52 7.285 -14.618 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.311 -12.463 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.983 -12.078 1.153 1.00 0.00 H new ATOM 0 HG LEU A 52 6.683 -12.188 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.324 -13.949 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.847 -13.054 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.176 -14.694 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.051 -14.243 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.643 -15.034 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.730 -13.603 -1.424 1.00 0.00 H new ATOM 801 N LYS A 53 5.435 -13.635 4.060 1.00 0.00 N ATOM 802 CA LYS A 53 5.480 -13.183 5.451 1.00 0.00 C ATOM 803 C LYS A 53 6.565 -13.894 6.266 1.00 0.00 C ATOM 804 O LYS A 53 6.914 -13.411 7.347 1.00 0.00 O ATOM 805 CB LYS A 53 4.097 -13.363 6.106 1.00 0.00 C ATOM 806 CG LYS A 53 3.906 -14.760 6.728 1.00 0.00 C ATOM 807 CD LYS A 53 2.504 -15.013 7.280 1.00 0.00 C ATOM 808 CE LYS A 53 2.373 -14.380 8.667 1.00 0.00 C ATOM 809 NZ LYS A 53 1.025 -14.575 9.218 1.00 0.00 N ATOM 0 H LYS A 53 4.541 -14.042 3.785 1.00 0.00 H new ATOM 0 HA LYS A 53 5.742 -12.125 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.965 -12.606 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.322 -13.194 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.129 -15.515 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.630 -14.889 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.757 -14.594 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.314 -16.085 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.110 -14.818 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.592 -13.314 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.967 -14.135 10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.325 -14.136 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.827 -15.593 9.299 1.00 0.00 H new ATOM 823 N ASN A 54 7.040 -15.053 5.799 1.00 0.00 N ATOM 824 CA ASN A 54 8.058 -15.860 6.462 1.00 0.00 C ATOM 825 C ASN A 54 9.481 -15.476 6.053 1.00 0.00 C ATOM 826 O ASN A 54 10.412 -15.876 6.749 1.00 0.00 O ATOM 827 CB ASN A 54 7.803 -17.353 6.184 1.00 0.00 C ATOM 828 CG ASN A 54 6.617 -17.875 6.987 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.747 -18.334 8.122 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.414 -17.765 6.453 1.00 0.00 N ATOM 0 H ASN A 54 6.715 -15.464 4.924 1.00 0.00 H new ATOM 0 HA ASN A 54 7.979 -15.664 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.616 -17.500 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.695 -17.928 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.593 -18.060 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.306 -17.385 5.513 1.00 0.00 H new ATOM 837 N SER A 55 9.671 -14.719 4.970 1.00 0.00 N ATOM 838 CA SER A 55 10.995 -14.325 4.508 1.00 0.00 C ATOM 839 C SER A 55 11.532 -13.079 5.217 1.00 0.00 C ATOM 840 O SER A 55 10.818 -12.371 5.940 1.00 0.00 O ATOM 841 CB SER A 55 10.936 -14.083 2.996 1.00 0.00 C ATOM 842 OG SER A 55 10.595 -15.263 2.297 1.00 0.00 O ATOM 0 H SER A 55 8.909 -14.364 4.392 1.00 0.00 H new ATOM 0 HA SER A 55 11.684 -15.135 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.204 -13.305 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.902 -13.718 2.647 1.00 0.00 H new ATOM 0 HG SER A 55 10.564 -15.076 1.335 1.00 0.00 H new ATOM 848 N ASN A 56 12.820 -12.816 4.995 1.00 0.00 N ATOM 849 CA ASN A 56 13.549 -11.673 5.533 1.00 0.00 C ATOM 850 C ASN A 56 13.221 -10.438 4.676 1.00 0.00 C ATOM 851 O ASN A 56 13.009 -10.590 3.475 1.00 0.00 O ATOM 852 CB ASN A 56 15.060 -11.963 5.475 1.00 0.00 C ATOM 853 CG ASN A 56 15.774 -11.537 6.747 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.380 -11.919 7.845 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.808 -10.727 6.655 1.00 0.00 N ATOM 0 H ASN A 56 13.404 -13.417 4.413 1.00 0.00 H new ATOM 0 HA ASN A 56 13.261 -11.491 6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.218 -13.029 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.496 -11.441 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.287 -10.413 7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.130 -10.413 5.739 1.00 0.00 H new ATOM 862 N PRO A 57 13.269 -9.204 5.200 1.00 0.00 N ATOM 863 CA PRO A 57 12.965 -8.000 4.429 1.00 0.00 C ATOM 864 C PRO A 57 13.830 -7.826 3.169 1.00 0.00 C ATOM 865 O PRO A 57 13.338 -7.362 2.145 1.00 0.00 O ATOM 866 CB PRO A 57 13.120 -6.838 5.421 1.00 0.00 C ATOM 867 CG PRO A 57 13.938 -7.408 6.574 1.00 0.00 C ATOM 868 CD PRO A 57 13.494 -8.865 6.588 1.00 0.00 C ATOM 0 HA PRO A 57 11.957 -8.053 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.626 -5.990 4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.149 -6.481 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.010 -7.310 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.720 -6.906 7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.257 -9.505 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.586 -8.995 7.178 1.00 0.00 H new ATOM 876 N ASP A 58 15.118 -8.159 3.222 1.00 0.00 N ATOM 877 CA ASP A 58 16.059 -8.069 2.092 1.00 0.00 C ATOM 878 C ASP A 58 15.994 -9.301 1.185 1.00 0.00 C ATOM 879 O ASP A 58 16.665 -9.363 0.154 1.00 0.00 O ATOM 880 CB ASP A 58 17.488 -7.880 2.599 1.00 0.00 C ATOM 881 CG ASP A 58 17.952 -9.003 3.511 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.433 -9.019 4.650 1.00 0.00 O ATOM 883 OD2 ASP A 58 18.861 -9.783 3.152 1.00 0.00 O ATOM 0 H ASP A 58 15.555 -8.510 4.074 1.00 0.00 H new ATOM 0 HA ASP A 58 15.762 -7.203 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.163 -7.811 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.554 -6.934 3.136 1.00 0.00 H new ATOM 888 N GLU A 59 15.189 -10.284 1.567 1.00 0.00 N ATOM 889 CA GLU A 59 14.952 -11.530 0.851 1.00 0.00 C ATOM 890 C GLU A 59 13.636 -11.457 0.076 1.00 0.00 C ATOM 891 O GLU A 59 13.312 -12.375 -0.679 1.00 0.00 O ATOM 892 CB GLU A 59 14.974 -12.710 1.833 1.00 0.00 C ATOM 893 CG GLU A 59 16.412 -13.064 2.224 1.00 0.00 C ATOM 894 CD GLU A 59 17.047 -13.895 1.102 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.631 -13.327 0.144 1.00 0.00 O ATOM 896 OE2 GLU A 59 16.900 -15.136 1.126 1.00 0.00 O ATOM 0 H GLU A 59 14.654 -10.230 2.434 1.00 0.00 H new ATOM 0 HA GLU A 59 15.748 -11.687 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.401 -12.457 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.492 -13.576 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.990 -12.156 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.420 -13.625 3.158 1.00 0.00 H new ATOM 903 N ILE A 60 12.877 -10.371 0.220 1.00 0.00 N ATOM 904 CA ILE A 60 11.594 -10.150 -0.430 1.00 0.00 C ATOM 905 C ILE A 60 11.765 -9.144 -1.562 1.00 0.00 C ATOM 906 O ILE A 60 12.186 -8.008 -1.341 1.00 0.00 O ATOM 907 CB ILE A 60 10.582 -9.667 0.627 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.296 -10.807 1.625 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.258 -9.180 0.012 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.711 -10.322 2.944 1.00 0.00 C ATOM 0 H ILE A 60 13.154 -9.592 0.818 1.00 0.00 H new ATOM 0 HA ILE A 60 11.215 -11.073 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 60 11.033 -8.814 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.605 -11.515 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.222 -11.347 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.587 -8.853 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.455 -8.347 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.793 -9.995 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.534 -11.175 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.411 -9.636 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.769 -9.807 2.757 1.00 0.00 H new ATOM 922 N GLU A 61 11.479 -9.585 -2.781 1.00 0.00 N ATOM 923 CA GLU A 61 11.546 -8.740 -3.962 1.00 0.00 C ATOM 924 C GLU A 61 10.227 -7.958 -4.027 1.00 0.00 C ATOM 925 O GLU A 61 9.172 -8.475 -3.638 1.00 0.00 O ATOM 926 CB GLU A 61 11.794 -9.591 -5.219 1.00 0.00 C ATOM 927 CG GLU A 61 10.685 -10.607 -5.542 1.00 0.00 C ATOM 928 CD GLU A 61 11.155 -11.592 -6.612 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.197 -11.236 -7.811 1.00 0.00 O ATOM 930 OE2 GLU A 61 11.555 -12.721 -6.244 1.00 0.00 O ATOM 0 H GLU A 61 11.193 -10.544 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 61 12.380 -8.040 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.916 -8.925 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.735 -10.128 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.406 -11.149 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.794 -10.083 -5.888 1.00 0.00 H new ATOM 937 N ILE A 62 10.268 -6.720 -4.513 1.00 0.00 N ATOM 938 CA ILE A 62 9.119 -5.844 -4.651 1.00 0.00 C ATOM 939 C ILE A 62 8.887 -5.618 -6.140 1.00 0.00 C ATOM 940 O ILE A 62 9.793 -5.138 -6.821 1.00 0.00 O ATOM 941 CB ILE A 62 9.373 -4.482 -3.953 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.903 -4.637 -2.508 1.00 0.00 C ATOM 943 CG2 ILE A 62 8.084 -3.632 -3.981 1.00 0.00 C ATOM 944 CD1 ILE A 62 10.175 -3.304 -1.800 1.00 0.00 C ATOM 0 H ILE A 62 11.136 -6.289 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 62 8.248 -6.302 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 62 10.158 -3.970 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.179 -5.206 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.824 -5.220 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.267 -2.677 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.786 -3.457 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.287 -4.162 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.544 -3.496 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.922 -2.741 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.252 -2.726 -1.745 1.00 0.00 H new ATOM 956 N ASP A 63 7.716 -5.983 -6.653 1.00 0.00 N ATOM 957 CA ASP A 63 7.340 -5.761 -8.047 1.00 0.00 C ATOM 958 C ASP A 63 5.873 -5.369 -8.003 1.00 0.00 C ATOM 959 O ASP A 63 5.148 -5.797 -7.104 1.00 0.00 O ATOM 960 CB ASP A 63 7.604 -6.924 -9.001 1.00 0.00 C ATOM 961 CG ASP A 63 7.699 -6.321 -10.405 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.663 -5.868 -10.947 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.839 -6.133 -10.884 1.00 0.00 O ATOM 0 H ASP A 63 6.991 -6.447 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 63 7.975 -4.984 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.527 -7.440 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.801 -7.659 -8.948 1.00 0.00 H new ATOM 968 N PHE A 64 5.441 -4.460 -8.866 1.00 0.00 N ATOM 969 CA PHE A 64 4.067 -3.997 -8.880 1.00 0.00 C ATOM 970 C PHE A 64 3.202 -4.809 -9.844 1.00 0.00 C ATOM 971 O PHE A 64 1.967 -4.752 -9.780 1.00 0.00 O ATOM 972 CB PHE A 64 4.082 -2.487 -9.130 1.00 0.00 C ATOM 973 CG PHE A 64 5.055 -1.743 -8.223 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.867 -1.747 -6.826 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.214 -1.150 -8.758 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.814 -1.155 -5.972 1.00 0.00 C ATOM 977 CE2 PHE A 64 7.173 -0.581 -7.902 1.00 0.00 C ATOM 978 CZ PHE A 64 6.976 -0.577 -6.510 1.00 0.00 C ATOM 0 H PHE A 64 6.034 -4.026 -9.573 1.00 0.00 H new ATOM 0 HA PHE A 64 3.586 -4.164 -7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.348 -2.299 -10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.078 -2.090 -8.981 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.986 -2.210 -6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.367 -1.132 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.649 -1.145 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.069 -0.143 -8.317 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.713 -0.132 -5.858 1.00 0.00 H new ATOM 988 N GLU A 65 3.827 -5.593 -10.727 1.00 0.00 N ATOM 989 CA GLU A 65 3.123 -6.403 -11.699 1.00 0.00 C ATOM 990 C GLU A 65 2.540 -7.668 -11.064 1.00 0.00 C ATOM 991 O GLU A 65 1.463 -8.123 -11.470 1.00 0.00 O ATOM 992 CB GLU A 65 4.010 -6.673 -12.930 1.00 0.00 C ATOM 993 CG GLU A 65 4.841 -7.968 -12.952 1.00 0.00 C ATOM 994 CD GLU A 65 5.436 -8.291 -14.328 1.00 0.00 C ATOM 995 OE1 GLU A 65 4.791 -8.023 -15.374 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.499 -8.951 -14.371 1.00 0.00 O ATOM 0 H GLU A 65 4.842 -5.677 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 65 2.261 -5.843 -12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.368 -6.674 -13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.697 -5.834 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.650 -7.883 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.212 -8.799 -12.633 1.00 0.00 H new ATOM 1003 N THR A 66 3.187 -8.212 -10.035 1.00 0.00 N ATOM 1004 CA THR A 66 2.730 -9.424 -9.367 1.00 0.00 C ATOM 1005 C THR A 66 1.855 -9.094 -8.153 1.00 0.00 C ATOM 1006 O THR A 66 0.925 -9.845 -7.843 1.00 0.00 O ATOM 1007 CB THR A 66 3.961 -10.285 -9.019 1.00 0.00 C ATOM 1008 OG1 THR A 66 4.862 -9.583 -8.187 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.727 -10.671 -10.292 1.00 0.00 C ATOM 0 H THR A 66 4.044 -7.822 -9.642 1.00 0.00 H new ATOM 0 HA THR A 66 2.088 -10.004 -10.031 1.00 0.00 H new ATOM 0 HB THR A 66 3.588 -11.171 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.631 -10.155 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.592 -11.278 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.073 -11.241 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.061 -9.768 -10.804 1.00 0.00 H new ATOM 1017 N LEU A 67 2.106 -7.962 -7.485 1.00 0.00 N ATOM 1018 CA LEU A 67 1.340 -7.560 -6.310 1.00 0.00 C ATOM 1019 C LEU A 67 -0.059 -7.104 -6.709 1.00 0.00 C ATOM 1020 O LEU A 67 -0.261 -6.505 -7.767 1.00 0.00 O ATOM 1021 CB LEU A 67 2.082 -6.476 -5.514 1.00 0.00 C ATOM 1022 CG LEU A 67 3.355 -6.986 -4.804 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.979 -5.819 -4.026 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.114 -8.159 -3.846 1.00 0.00 C ATOM 0 H LEU A 67 2.842 -7.306 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 67 1.233 -8.427 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.354 -5.665 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.405 -6.057 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 67 4.020 -7.363 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.880 -6.161 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.235 -5.016 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.265 -5.450 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.058 -8.456 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.414 -7.855 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.698 -9.001 -4.399 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.031 -7.363 -5.832 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.447 -7.037 -6.013 1.00 0.00 C ATOM 1038 C LYS A 68 -2.734 -5.542 -5.889 1.00 0.00 C ATOM 1039 O LYS A 68 -2.005 -4.845 -5.182 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.244 -7.792 -4.935 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.341 -9.281 -5.278 1.00 0.00 C ATOM 1042 CD LYS A 68 -3.702 -10.147 -4.065 1.00 0.00 C ATOM 1043 CE LYS A 68 -3.711 -11.631 -4.451 1.00 0.00 C ATOM 1044 NZ LYS A 68 -2.379 -12.105 -4.879 1.00 0.00 N ATOM 0 H LYS A 68 -0.846 -7.824 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.738 -7.333 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.762 -7.668 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.244 -7.367 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.091 -9.422 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.389 -9.618 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.984 -9.978 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.681 -9.858 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.050 -12.224 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.428 -11.791 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.361 -13.145 -4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.182 -11.764 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.655 -11.740 -4.228 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.840 -5.041 -6.477 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.215 -3.629 -6.391 1.00 0.00 C ATOM 1060 C PRO A 69 -4.427 -3.228 -4.931 1.00 0.00 C ATOM 1061 O PRO A 69 -4.057 -2.132 -4.511 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.478 -3.479 -7.246 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.038 -4.897 -7.357 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.781 -5.760 -7.325 1.00 0.00 C ATOM 0 HA PRO A 69 -3.437 -2.963 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.196 -2.805 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.246 -3.066 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.711 -5.132 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.602 -5.038 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.995 -6.750 -6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.377 -5.903 -8.327 1.00 0.00 H new ATOM 1072 N SER A 70 -4.985 -4.140 -4.138 1.00 0.00 N ATOM 1073 CA SER A 70 -5.253 -3.946 -2.729 1.00 0.00 C ATOM 1074 C SER A 70 -3.974 -3.776 -1.907 1.00 0.00 C ATOM 1075 O SER A 70 -3.993 -3.106 -0.875 1.00 0.00 O ATOM 1076 CB SER A 70 -6.068 -5.147 -2.222 1.00 0.00 C ATOM 1077 OG SER A 70 -5.859 -6.329 -2.991 1.00 0.00 O ATOM 0 H SER A 70 -5.269 -5.060 -4.476 1.00 0.00 H new ATOM 0 HA SER A 70 -5.818 -3.022 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.804 -5.345 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.128 -4.892 -2.239 1.00 0.00 H new ATOM 0 HG SER A 70 -6.400 -7.059 -2.623 1.00 0.00 H new ATOM 1083 N THR A 71 -2.871 -4.388 -2.335 1.00 0.00 N ATOM 1084 CA THR A 71 -1.591 -4.287 -1.660 1.00 0.00 C ATOM 1085 C THR A 71 -1.044 -2.882 -1.913 1.00 0.00 C ATOM 1086 O THR A 71 -0.634 -2.201 -0.977 1.00 0.00 O ATOM 1087 CB THR A 71 -0.677 -5.412 -2.178 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.318 -6.638 -1.874 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.724 -5.392 -1.568 1.00 0.00 C ATOM 0 H THR A 71 -2.847 -4.973 -3.170 1.00 0.00 H new ATOM 0 HA THR A 71 -1.668 -4.419 -0.581 1.00 0.00 H new ATOM 0 HB THR A 71 -0.531 -5.275 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.766 -7.383 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.312 -6.213 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.210 -4.445 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.651 -5.504 -0.486 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.109 -2.403 -3.158 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.608 -1.082 -3.513 1.00 0.00 C ATOM 1099 C LEU A 72 -1.359 0.018 -2.763 1.00 0.00 C ATOM 1100 O LEU A 72 -0.732 0.968 -2.301 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.659 -0.872 -5.029 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.042 -2.005 -5.862 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.204 -1.669 -7.337 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.426 -2.286 -5.540 1.00 0.00 C ATOM 0 H LEU A 72 -1.509 -2.920 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 72 0.436 -1.022 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.699 -0.746 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.143 0.058 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.576 -2.920 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.230 -2.466 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.263 -1.570 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.305 -0.730 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.788 -3.099 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.018 -1.390 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.521 -2.570 -4.492 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.683 -0.109 -2.583 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.473 0.894 -1.858 1.00 0.00 C ATOM 1118 C ARG A 73 -2.959 1.077 -0.425 1.00 0.00 C ATOM 1119 O ARG A 73 -3.034 2.187 0.102 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.970 0.519 -1.869 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.701 1.002 -3.136 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.045 2.504 -3.083 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.402 2.773 -2.554 1.00 0.00 N ATOM 1124 CZ ARG A 73 -8.043 3.956 -2.589 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.403 5.047 -2.986 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -9.326 4.049 -2.248 1.00 0.00 N ATOM 0 H ARG A 73 -3.228 -0.898 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.359 1.849 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.068 -0.564 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.453 0.948 -0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.077 0.806 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.618 0.427 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.311 3.017 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.963 2.925 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.896 1.991 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.424 4.991 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.890 5.943 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.837 3.217 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.798 4.953 -2.280 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.442 0.023 0.206 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.905 0.072 1.564 1.00 0.00 C ATOM 1142 C GLU A 74 -0.529 0.751 1.591 1.00 0.00 C ATOM 1143 O GLU A 74 -0.182 1.391 2.583 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.784 -1.367 2.106 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.011 -1.811 2.902 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.041 -1.124 4.265 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.175 -1.443 5.114 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.881 -0.218 4.461 1.00 0.00 O ATOM 0 H GLU A 74 -2.384 -0.902 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.582 0.656 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.632 -2.052 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.901 -1.437 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.918 -1.571 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.995 -2.893 3.034 1.00 0.00 H new ATOM 1155 N LEU A 75 0.257 0.621 0.519 1.00 0.00 N ATOM 1156 CA LEU A 75 1.595 1.200 0.411 1.00 0.00 C ATOM 1157 C LEU A 75 1.512 2.695 0.088 1.00 0.00 C ATOM 1158 O LEU A 75 2.217 3.490 0.711 1.00 0.00 O ATOM 1159 CB LEU A 75 2.419 0.453 -0.648 1.00 0.00 C ATOM 1160 CG LEU A 75 2.610 -1.059 -0.435 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.120 -1.707 -1.727 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.612 -1.336 0.683 1.00 0.00 C ATOM 0 H LEU A 75 -0.025 0.101 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 75 2.098 1.091 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.943 0.603 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.404 0.916 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 75 1.644 -1.481 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.253 -2.777 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.396 -1.545 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.074 -1.260 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.726 -2.412 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.576 -0.897 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.250 -0.897 1.613 1.00 0.00 H new ATOM 1174 N GLU A 76 0.650 3.113 -0.849 1.00 0.00 N ATOM 1175 CA GLU A 76 0.468 4.528 -1.223 1.00 0.00 C ATOM 1176 C GLU A 76 0.073 5.348 0.021 1.00 0.00 C ATOM 1177 O GLU A 76 0.363 6.542 0.132 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.597 4.621 -2.328 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.886 6.046 -2.847 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.070 6.437 -4.079 1.00 0.00 C ATOM 1181 OE1 GLU A 76 1.137 6.711 -3.921 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -0.675 6.528 -5.176 1.00 0.00 O ATOM 0 H GLU A 76 0.053 2.475 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 76 1.400 4.942 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.280 4.003 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.526 4.194 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.946 6.126 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.684 6.760 -2.049 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.608 4.707 0.973 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.051 5.296 2.228 1.00 0.00 C ATOM 1191 C ARG A 77 0.164 5.730 3.046 1.00 0.00 C ATOM 1192 O ARG A 77 0.255 6.893 3.438 1.00 0.00 O ATOM 1193 CB ARG A 77 -1.885 4.255 2.993 1.00 0.00 C ATOM 1194 CG ARG A 77 -2.824 4.915 4.004 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.366 3.855 4.976 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.349 4.374 5.943 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.092 5.133 7.018 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -2.892 5.672 7.219 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.050 5.367 7.906 1.00 0.00 N ATOM 0 H ARG A 77 -0.874 3.726 0.883 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.666 6.176 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.468 3.665 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.219 3.565 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.293 5.691 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.649 5.402 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.827 3.052 4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.531 3.417 5.522 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.326 4.131 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.142 5.511 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.722 6.246 8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.980 4.970 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.857 5.944 8.725 1.00 0.00 H new ATOM 1213 N TYR A 78 1.097 4.799 3.263 1.00 0.00 N ATOM 1214 CA TYR A 78 2.307 5.013 4.036 1.00 0.00 C ATOM 1215 C TYR A 78 3.110 6.190 3.496 1.00 0.00 C ATOM 1216 O TYR A 78 3.350 7.130 4.258 1.00 0.00 O ATOM 1217 CB TYR A 78 3.132 3.721 4.130 1.00 0.00 C ATOM 1218 CG TYR A 78 4.346 3.865 5.031 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.182 4.094 6.412 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.642 3.793 4.491 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.302 4.312 7.239 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.764 3.958 5.316 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.603 4.245 6.690 1.00 0.00 C ATOM 1224 OH TYR A 78 7.702 4.481 7.455 1.00 0.00 O ATOM 0 H TYR A 78 1.022 3.852 2.892 1.00 0.00 H new ATOM 0 HA TYR A 78 2.023 5.280 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.499 2.917 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.458 3.430 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.190 4.102 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.774 3.610 3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.167 4.529 8.288 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.756 3.865 4.899 1.00 0.00 H new ATOM 0 HH TYR A 78 8.348 3.755 7.332 1.00 0.00 H new ATOM 1234 N VAL A 79 3.481 6.174 2.209 1.00 0.00 N ATOM 1235 CA VAL A 79 4.256 7.254 1.592 1.00 0.00 C ATOM 1236 C VAL A 79 3.528 8.582 1.740 1.00 0.00 C ATOM 1237 O VAL A 79 4.131 9.552 2.186 1.00 0.00 O ATOM 1238 CB VAL A 79 4.618 6.964 0.118 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.586 5.786 0.055 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.429 6.637 -0.792 1.00 0.00 C ATOM 0 H VAL A 79 3.252 5.413 1.569 1.00 0.00 H new ATOM 0 HA VAL A 79 5.204 7.318 2.126 1.00 0.00 H new ATOM 0 HB VAL A 79 5.055 7.891 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.842 5.581 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.492 6.029 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.117 4.906 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.787 6.449 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.917 5.750 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.736 7.479 -0.802 1.00 0.00 H new ATOM 1250 N THR A 80 2.232 8.638 1.432 1.00 0.00 N ATOM 1251 CA THR A 80 1.470 9.873 1.544 1.00 0.00 C ATOM 1252 C THR A 80 1.542 10.423 2.968 1.00 0.00 C ATOM 1253 O THR A 80 1.650 11.628 3.153 1.00 0.00 O ATOM 1254 CB THR A 80 0.028 9.588 1.107 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.022 9.304 -0.283 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.964 10.723 1.373 1.00 0.00 C ATOM 0 H THR A 80 1.691 7.839 1.103 1.00 0.00 H new ATOM 0 HA THR A 80 1.891 10.641 0.895 1.00 0.00 H new ATOM 0 HB THR A 80 -0.306 8.745 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.119 8.338 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.956 10.427 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.998 10.934 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.646 11.617 0.837 1.00 0.00 H new ATOM 1264 N SER A 81 1.508 9.563 3.977 1.00 0.00 N ATOM 1265 CA SER A 81 1.545 9.985 5.366 1.00 0.00 C ATOM 1266 C SER A 81 2.962 10.458 5.733 1.00 0.00 C ATOM 1267 O SER A 81 3.125 11.445 6.454 1.00 0.00 O ATOM 1268 CB SER A 81 0.980 8.823 6.201 1.00 0.00 C ATOM 1269 OG SER A 81 0.878 9.097 7.585 1.00 0.00 O ATOM 0 H SER A 81 1.454 8.552 3.853 1.00 0.00 H new ATOM 0 HA SER A 81 0.922 10.855 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.008 8.564 5.820 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.615 7.948 6.061 1.00 0.00 H new ATOM 0 HG SER A 81 0.511 8.315 8.047 1.00 0.00 H new ATOM 1275 N CYS A 82 4.012 9.805 5.221 1.00 0.00 N ATOM 1276 CA CYS A 82 5.390 10.202 5.498 1.00 0.00 C ATOM 1277 C CYS A 82 5.726 11.533 4.827 1.00 0.00 C ATOM 1278 O CYS A 82 6.413 12.370 5.416 1.00 0.00 O ATOM 1279 CB CYS A 82 6.378 9.154 4.964 1.00 0.00 C ATOM 1280 SG CYS A 82 6.163 7.575 5.817 1.00 0.00 S ATOM 0 H CYS A 82 3.928 8.994 4.609 1.00 0.00 H new ATOM 0 HA CYS A 82 5.479 10.294 6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.227 9.017 3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.400 9.509 5.099 1.00 0.00 H new ATOM 0 HG CYS A 82 5.058 7.015 5.422 1.00 0.00 H new ATOM 1286 N LEU A 83 5.228 11.753 3.613 1.00 0.00 N ATOM 1287 CA LEU A 83 5.500 12.951 2.836 1.00 0.00 C ATOM 1288 C LEU A 83 4.602 14.137 3.143 1.00 0.00 C ATOM 1289 O LEU A 83 5.112 15.257 3.235 1.00 0.00 O ATOM 1290 CB LEU A 83 5.369 12.626 1.342 1.00 0.00 C ATOM 1291 CG LEU A 83 6.304 11.505 0.857 1.00 0.00 C ATOM 1292 CD1 LEU A 83 5.973 11.223 -0.604 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.787 11.881 1.001 1.00 0.00 C ATOM 0 H LEU A 83 4.615 11.091 3.137 1.00 0.00 H new ATOM 0 HA LEU A 83 6.511 13.250 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.338 12.340 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.573 13.529 0.766 1.00 0.00 H new ATOM 0 HG LEU A 83 6.147 10.620 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.621 10.430 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.932 10.910 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.129 12.127 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.407 11.058 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.995 12.773 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.012 12.079 2.049 1.00 0.00 H new