USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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+ 138:sc= 1.08 (180deg=-1.9!) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.612 USER MOD Set 1.3: A 82 CYS SG : rot -150:sc= 0.974 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 167:sc=-0.000734 (180deg=-0.42) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.544 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0.88 (180deg=0.663) USER MOD Single : A 25 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.081) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.1) 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= -1.15! C(o=-1.1!,f=-5.8!) 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= -0.0293 X(o=-0.029,f=-0.029) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.53 F(o=-2.5,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.846 -0.073 -5.284 1.00 0.00 N ATOM 183 CA LYS A 16 -10.109 0.121 -6.709 1.00 0.00 C ATOM 184 C LYS A 16 -8.903 -0.387 -7.501 1.00 0.00 C ATOM 185 O LYS A 16 -7.842 -0.598 -6.906 1.00 0.00 O ATOM 186 CB LYS A 16 -10.340 1.630 -6.958 1.00 0.00 C ATOM 187 CG LYS A 16 -11.715 2.138 -6.504 1.00 0.00 C ATOM 188 CD LYS A 16 -12.880 1.512 -7.281 1.00 0.00 C ATOM 189 CE LYS A 16 -14.194 2.083 -6.751 1.00 0.00 C ATOM 190 NZ LYS A 16 -15.327 1.171 -6.991 1.00 0.00 N ATOM 0 HA LYS A 16 -10.993 -0.430 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.566 2.195 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.223 1.833 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.840 1.926 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.751 3.221 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.780 1.724 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.868 0.428 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.102 2.274 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.392 3.042 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.200 1.595 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.432 1.009 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.150 0.264 -6.513 1.00 0.00 H new ATOM 204 N PRO A 17 -9.023 -0.593 -8.827 1.00 0.00 N ATOM 205 CA PRO A 17 -7.898 -1.055 -9.629 1.00 0.00 C ATOM 206 C PRO A 17 -6.756 -0.036 -9.598 1.00 0.00 C ATOM 207 O PRO A 17 -6.948 1.138 -9.275 1.00 0.00 O ATOM 208 CB PRO A 17 -8.439 -1.274 -11.042 1.00 0.00 C ATOM 209 CG PRO A 17 -9.683 -0.392 -11.101 1.00 0.00 C ATOM 210 CD PRO A 17 -10.201 -0.408 -9.665 1.00 0.00 C ATOM 0 HA PRO A 17 -7.478 -1.982 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.709 -0.986 -11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.684 -2.322 -11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.443 0.619 -11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.422 -0.787 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.713 0.523 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.919 -1.214 -9.516 1.00 0.00 H new ATOM 218 N MET A 18 -5.561 -0.503 -9.958 1.00 0.00 N ATOM 219 CA MET A 18 -4.339 0.277 -9.993 1.00 0.00 C ATOM 220 C MET A 18 -3.678 -0.026 -11.326 1.00 0.00 C ATOM 221 O MET A 18 -3.397 -1.192 -11.621 1.00 0.00 O ATOM 222 CB MET A 18 -3.426 -0.135 -8.834 1.00 0.00 C ATOM 223 CG MET A 18 -4.043 0.141 -7.458 1.00 0.00 C ATOM 224 SD MET A 18 -4.104 1.872 -6.930 1.00 0.00 S ATOM 225 CE MET A 18 -2.570 1.947 -5.960 1.00 0.00 C ATOM 0 H MET A 18 -5.419 -1.472 -10.243 1.00 0.00 H new ATOM 0 HA MET A 18 -4.539 1.344 -9.890 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.199 -1.198 -8.918 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.480 0.400 -8.916 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.060 -0.252 -7.455 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.481 -0.423 -6.713 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.323 2.988 -5.750 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.706 1.409 -5.022 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.759 1.489 -6.526 1.00 0.00 H new ATOM 235 N SER A 19 -3.541 0.996 -12.153 1.00 0.00 N ATOM 236 CA SER A 19 -2.918 0.912 -13.468 1.00 0.00 C ATOM 237 C SER A 19 -1.395 0.969 -13.321 1.00 0.00 C ATOM 238 O SER A 19 -0.868 1.184 -12.226 1.00 0.00 O ATOM 239 CB SER A 19 -3.390 2.073 -14.355 1.00 0.00 C ATOM 240 OG SER A 19 -4.799 2.125 -14.433 1.00 0.00 O ATOM 0 H SER A 19 -3.868 1.935 -11.924 1.00 0.00 H new ATOM 0 HA SER A 19 -3.206 -0.031 -13.934 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.012 3.014 -13.956 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.973 1.960 -15.356 1.00 0.00 H new ATOM 0 HG SER A 19 -5.068 2.875 -15.003 1.00 0.00 H new ATOM 246 N TYR A 20 -0.686 0.792 -14.434 1.00 0.00 N ATOM 247 CA TYR A 20 0.767 0.831 -14.501 1.00 0.00 C ATOM 248 C TYR A 20 1.280 2.180 -13.995 1.00 0.00 C ATOM 249 O TYR A 20 2.279 2.244 -13.289 1.00 0.00 O ATOM 250 CB TYR A 20 1.181 0.614 -15.964 1.00 0.00 C ATOM 251 CG TYR A 20 2.630 0.923 -16.294 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.659 0.127 -15.766 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.951 1.986 -17.158 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.996 0.360 -16.133 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.281 2.229 -17.529 1.00 0.00 C ATOM 256 CZ TYR A 20 5.314 1.418 -17.014 1.00 0.00 C ATOM 257 OH TYR A 20 6.615 1.700 -17.305 1.00 0.00 O ATOM 0 H TYR A 20 -1.122 0.613 -15.338 1.00 0.00 H new ATOM 0 HA TYR A 20 1.197 0.051 -13.872 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.982 -0.425 -16.228 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.544 1.232 -16.597 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.422 -0.668 -15.075 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.165 2.621 -17.539 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.781 -0.270 -15.741 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.514 3.036 -18.208 1.00 0.00 H new ATOM 0 HH TYR A 20 6.655 2.456 -17.927 1.00 0.00 H new ATOM 267 N GLU A 21 0.579 3.262 -14.317 1.00 0.00 N ATOM 268 CA GLU A 21 0.939 4.616 -13.934 1.00 0.00 C ATOM 269 C GLU A 21 0.854 4.803 -12.418 1.00 0.00 C ATOM 270 O GLU A 21 1.694 5.490 -11.840 1.00 0.00 O ATOM 271 CB GLU A 21 0.038 5.613 -14.675 1.00 0.00 C ATOM 272 CG GLU A 21 0.164 5.542 -16.209 1.00 0.00 C ATOM 273 CD GLU A 21 -0.395 4.257 -16.837 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.374 3.670 -16.324 1.00 0.00 O ATOM 275 OE2 GLU A 21 0.124 3.804 -17.879 1.00 0.00 O ATOM 0 H GLU A 21 -0.279 3.216 -14.867 1.00 0.00 H new ATOM 0 HA GLU A 21 1.975 4.802 -14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.999 5.428 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.282 6.623 -14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.353 6.398 -16.643 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.216 5.635 -16.479 1.00 0.00 H new ATOM 282 N GLU A 22 -0.135 4.180 -11.775 1.00 0.00 N ATOM 283 CA GLU A 22 -0.339 4.251 -10.330 1.00 0.00 C ATOM 284 C GLU A 22 0.791 3.457 -9.668 1.00 0.00 C ATOM 285 O GLU A 22 1.414 3.914 -8.711 1.00 0.00 O ATOM 286 CB GLU A 22 -1.709 3.667 -9.921 1.00 0.00 C ATOM 287 CG GLU A 22 -2.842 3.851 -10.934 1.00 0.00 C ATOM 288 CD GLU A 22 -3.138 5.283 -11.355 1.00 0.00 C ATOM 289 OE1 GLU A 22 -3.424 6.135 -10.490 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.297 5.497 -12.579 1.00 0.00 O ATOM 0 H GLU A 22 -0.827 3.603 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.328 5.292 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.586 2.601 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.011 4.125 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.601 3.274 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.751 3.422 -10.513 1.00 0.00 H new ATOM 297 N LYS A 23 1.067 2.256 -10.198 1.00 0.00 N ATOM 298 CA LYS A 23 2.116 1.366 -9.717 1.00 0.00 C ATOM 299 C LYS A 23 3.471 2.073 -9.813 1.00 0.00 C ATOM 300 O LYS A 23 4.290 1.958 -8.907 1.00 0.00 O ATOM 301 CB LYS A 23 2.100 0.090 -10.567 1.00 0.00 C ATOM 302 CG LYS A 23 0.879 -0.787 -10.268 1.00 0.00 C ATOM 303 CD LYS A 23 0.660 -1.812 -11.382 1.00 0.00 C ATOM 304 CE LYS A 23 -0.471 -2.751 -10.960 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.528 -3.998 -11.745 1.00 0.00 N ATOM 0 H LYS A 23 0.551 1.875 -10.991 1.00 0.00 H new ATOM 0 HA LYS A 23 1.946 1.101 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.103 0.359 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.010 -0.481 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.019 -1.301 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.007 -0.161 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.407 -1.309 -12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.574 -2.377 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.350 -3.001 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.422 -2.227 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.458 -4.446 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.383 -3.781 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.217 -4.647 -11.420 1.00 0.00 H new ATOM 319 N ARG A 24 3.726 2.787 -10.914 1.00 0.00 N ATOM 320 CA ARG A 24 4.976 3.508 -11.093 1.00 0.00 C ATOM 321 C ARG A 24 5.048 4.640 -10.081 1.00 0.00 C ATOM 322 O ARG A 24 6.051 4.702 -9.380 1.00 0.00 O ATOM 323 CB ARG A 24 5.139 4.034 -12.527 1.00 0.00 C ATOM 324 CG ARG A 24 5.507 2.966 -13.568 1.00 0.00 C ATOM 325 CD ARG A 24 6.851 2.290 -13.273 1.00 0.00 C ATOM 326 NE ARG A 24 7.363 1.594 -14.459 1.00 0.00 N ATOM 327 CZ ARG A 24 8.325 0.669 -14.494 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.943 0.266 -13.394 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.677 0.133 -15.654 1.00 0.00 N ATOM 0 H ARG A 24 3.075 2.877 -11.694 1.00 0.00 H new ATOM 0 HA ARG A 24 5.802 2.817 -10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.208 4.512 -12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.909 4.805 -12.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.723 2.209 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.545 3.425 -14.556 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.574 3.038 -12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.733 1.581 -12.454 1.00 0.00 H new ATOM 0 HE ARG A 24 6.938 1.844 -15.352 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.687 0.664 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.675 -0.443 -13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.214 0.428 -16.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.411 -0.574 -15.687 1.00 0.00 H new ATOM 343 N GLN A 25 4.035 5.511 -9.981 1.00 0.00 N ATOM 344 CA GLN A 25 4.033 6.632 -9.036 1.00 0.00 C ATOM 345 C GLN A 25 4.378 6.166 -7.622 1.00 0.00 C ATOM 346 O GLN A 25 5.197 6.794 -6.950 1.00 0.00 O ATOM 347 CB GLN A 25 2.688 7.374 -9.092 1.00 0.00 C ATOM 348 CG GLN A 25 2.565 8.498 -8.049 1.00 0.00 C ATOM 349 CD GLN A 25 3.690 9.527 -8.163 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.787 10.272 -9.136 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.615 9.561 -7.220 1.00 0.00 N ATOM 0 H GLN A 25 3.193 5.457 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 25 4.811 7.337 -9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.556 7.797 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.880 6.658 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.605 8.999 -8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.574 8.064 -7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.540 8.945 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.404 10.203 -7.302 1.00 0.00 H new ATOM 360 N LEU A 26 3.794 5.049 -7.193 1.00 0.00 N ATOM 361 CA LEU A 26 4.042 4.486 -5.877 1.00 0.00 C ATOM 362 C LEU A 26 5.547 4.285 -5.655 1.00 0.00 C ATOM 363 O LEU A 26 6.068 4.595 -4.587 1.00 0.00 O ATOM 364 CB LEU A 26 3.250 3.177 -5.780 1.00 0.00 C ATOM 365 CG LEU A 26 3.482 2.375 -4.495 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.242 3.215 -3.247 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.527 1.178 -4.510 1.00 0.00 C ATOM 0 H LEU A 26 3.134 4.511 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 26 3.710 5.161 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.187 3.406 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.507 2.550 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 26 4.521 2.048 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.418 2.607 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.923 4.066 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.213 3.574 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.670 0.587 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.498 1.534 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.733 0.559 -5.383 1.00 0.00 H new ATOM 379 N SER A 27 6.252 3.777 -6.666 1.00 0.00 N ATOM 380 CA SER A 27 7.685 3.536 -6.621 1.00 0.00 C ATOM 381 C SER A 27 8.468 4.843 -6.456 1.00 0.00 C ATOM 382 O SER A 27 9.422 4.881 -5.681 1.00 0.00 O ATOM 383 CB SER A 27 8.094 2.829 -7.912 1.00 0.00 C ATOM 384 OG SER A 27 9.387 2.270 -7.833 1.00 0.00 O ATOM 0 H SER A 27 5.828 3.517 -7.557 1.00 0.00 H new ATOM 0 HA SER A 27 7.917 2.912 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.374 2.042 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.058 3.538 -8.739 1.00 0.00 H new ATOM 0 HG SER A 27 9.604 1.828 -8.680 1.00 0.00 H new ATOM 390 N LEU A 28 8.101 5.924 -7.163 1.00 0.00 N ATOM 391 CA LEU A 28 8.810 7.190 -7.058 1.00 0.00 C ATOM 392 C LEU A 28 8.780 7.710 -5.633 1.00 0.00 C ATOM 393 O LEU A 28 9.825 8.144 -5.147 1.00 0.00 O ATOM 394 CB LEU A 28 8.208 8.248 -7.990 1.00 0.00 C ATOM 395 CG LEU A 28 8.546 8.097 -9.476 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.050 8.046 -9.763 1.00 0.00 C ATOM 397 CD2 LEU A 28 7.868 6.919 -10.149 1.00 0.00 C ATOM 0 H LEU A 28 7.314 5.937 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 28 9.842 7.003 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.124 8.228 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.544 9.231 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 28 8.143 9.011 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.212 7.938 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.518 8.967 -9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.491 7.196 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.159 6.883 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.170 5.995 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.786 7.032 -10.076 1.00 0.00 H new ATOM 409 N ASP A 29 7.612 7.677 -4.988 1.00 0.00 N ATOM 410 CA ASP A 29 7.469 8.150 -3.614 1.00 0.00 C ATOM 411 C ASP A 29 8.172 7.194 -2.654 1.00 0.00 C ATOM 412 O ASP A 29 8.743 7.645 -1.660 1.00 0.00 O ATOM 413 CB ASP A 29 5.998 8.328 -3.225 1.00 0.00 C ATOM 414 CG ASP A 29 5.489 9.754 -3.461 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.880 10.402 -4.463 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.673 10.233 -2.642 1.00 0.00 O ATOM 0 H ASP A 29 6.748 7.325 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 29 7.941 9.130 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.388 7.630 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.872 8.072 -2.173 1.00 0.00 H new ATOM 421 N ILE A 30 8.143 5.884 -2.921 1.00 0.00 N ATOM 422 CA ILE A 30 8.811 4.882 -2.094 1.00 0.00 C ATOM 423 C ILE A 30 10.307 5.217 -2.103 1.00 0.00 C ATOM 424 O ILE A 30 10.929 5.312 -1.045 1.00 0.00 O ATOM 425 CB ILE A 30 8.489 3.452 -2.615 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.162 2.960 -1.992 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.615 2.437 -2.355 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.658 1.618 -2.539 1.00 0.00 C ATOM 0 H ILE A 30 7.651 5.490 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 30 8.457 4.899 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 30 8.392 3.522 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.293 2.872 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.395 3.716 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.323 1.462 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.526 2.768 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.796 2.361 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.723 1.352 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.490 1.703 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.402 0.845 -2.348 1.00 0.00 H new ATOM 440 N ASN A 31 10.874 5.481 -3.282 1.00 0.00 N ATOM 441 CA ASN A 31 12.286 5.804 -3.446 1.00 0.00 C ATOM 442 C ASN A 31 12.701 7.095 -2.730 1.00 0.00 C ATOM 443 O ASN A 31 13.903 7.337 -2.587 1.00 0.00 O ATOM 444 CB ASN A 31 12.659 5.800 -4.935 1.00 0.00 C ATOM 445 CG ASN A 31 12.741 4.390 -5.519 1.00 0.00 C ATOM 446 OD1 ASN A 31 12.890 3.391 -4.817 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.679 4.279 -6.832 1.00 0.00 N ATOM 0 H ASN A 31 10.355 5.475 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 31 12.862 5.022 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.921 6.377 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.619 6.300 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.755 3.361 -7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.555 5.111 -7.409 1.00 0.00 H new ATOM 454 N LYS A 32 11.767 7.948 -2.287 1.00 0.00 N ATOM 455 CA LYS A 32 12.105 9.170 -1.556 1.00 0.00 C ATOM 456 C LYS A 32 12.367 8.854 -0.079 1.00 0.00 C ATOM 457 O LYS A 32 12.902 9.717 0.620 1.00 0.00 O ATOM 458 CB LYS A 32 10.957 10.192 -1.634 1.00 0.00 C ATOM 459 CG LYS A 32 10.704 10.784 -3.024 1.00 0.00 C ATOM 460 CD LYS A 32 11.900 11.594 -3.538 1.00 0.00 C ATOM 461 CE LYS A 32 11.429 12.630 -4.564 1.00 0.00 C ATOM 462 NZ LYS A 32 12.502 13.569 -4.948 1.00 0.00 N ATOM 0 H LYS A 32 10.766 7.810 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 32 13.000 9.589 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.041 9.713 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.170 11.007 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.485 9.979 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.823 11.424 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.396 12.094 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.633 10.927 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.064 12.117 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.590 13.190 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.135 14.250 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.834 14.080 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.293 13.040 -5.366 1.00 0.00 H new ATOM 476 N LEU A 33 11.974 7.678 0.416 1.00 0.00 N ATOM 477 CA LEU A 33 12.166 7.291 1.809 1.00 0.00 C ATOM 478 C LEU A 33 13.629 6.974 2.105 1.00 0.00 C ATOM 479 O LEU A 33 14.366 6.557 1.206 1.00 0.00 O ATOM 480 CB LEU A 33 11.369 6.006 2.125 1.00 0.00 C ATOM 481 CG LEU A 33 9.849 6.186 2.054 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.160 4.817 2.029 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.348 7.044 3.227 1.00 0.00 C ATOM 0 H LEU A 33 11.510 6.964 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 33 11.828 8.132 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.666 5.225 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.638 5.659 3.123 1.00 0.00 H new ATOM 0 HG LEU A 33 9.597 6.712 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.080 4.954 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.496 4.257 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.414 4.265 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.266 7.159 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.601 6.557 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.821 8.025 3.188 1.00 0.00 H new ATOM 495 N PRO A 34 14.051 7.123 3.370 1.00 0.00 N ATOM 496 CA PRO A 34 15.403 6.788 3.772 1.00 0.00 C ATOM 497 C PRO A 34 15.469 5.256 3.879 1.00 0.00 C ATOM 498 O PRO A 34 14.467 4.606 4.206 1.00 0.00 O ATOM 499 CB PRO A 34 15.570 7.447 5.141 1.00 0.00 C ATOM 500 CG PRO A 34 14.166 7.392 5.727 1.00 0.00 C ATOM 501 CD PRO A 34 13.284 7.624 4.506 1.00 0.00 C ATOM 0 HA PRO A 34 16.181 7.122 3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.287 6.910 5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.930 8.472 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.961 6.430 6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.014 8.158 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.335 7.097 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.050 8.682 4.386 1.00 0.00 H new ATOM 509 N GLY A 35 16.640 4.661 3.653 1.00 0.00 N ATOM 510 CA GLY A 35 16.822 3.217 3.738 1.00 0.00 C ATOM 511 C GLY A 35 16.466 2.702 5.133 1.00 0.00 C ATOM 512 O GLY A 35 15.902 1.615 5.259 1.00 0.00 O ATOM 0 H GLY A 35 17.489 5.170 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.197 2.723 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.856 2.963 3.505 1.00 0.00 H new ATOM 516 N GLU A 36 16.686 3.521 6.170 1.00 0.00 N ATOM 517 CA GLU A 36 16.396 3.186 7.560 1.00 0.00 C ATOM 518 C GLU A 36 14.906 2.870 7.766 1.00 0.00 C ATOM 519 O GLU A 36 14.568 2.066 8.636 1.00 0.00 O ATOM 520 CB GLU A 36 16.891 4.319 8.494 1.00 0.00 C ATOM 521 CG GLU A 36 15.903 5.498 8.578 1.00 0.00 C ATOM 522 CD GLU A 36 16.373 6.749 9.327 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.427 6.740 10.009 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.621 7.748 9.316 1.00 0.00 O ATOM 0 H GLU A 36 17.080 4.455 6.057 1.00 0.00 H new ATOM 0 HA GLU A 36 16.939 2.277 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.053 3.915 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.854 4.683 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.639 5.791 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.990 5.141 9.055 1.00 0.00 H new ATOM 531 N LYS A 37 14.016 3.474 6.964 1.00 0.00 N ATOM 532 CA LYS A 37 12.573 3.265 7.052 1.00 0.00 C ATOM 533 C LYS A 37 12.029 2.466 5.875 1.00 0.00 C ATOM 534 O LYS A 37 10.830 2.167 5.841 1.00 0.00 O ATOM 535 CB LYS A 37 11.819 4.595 7.077 1.00 0.00 C ATOM 536 CG LYS A 37 12.185 5.601 8.168 1.00 0.00 C ATOM 537 CD LYS A 37 11.274 6.834 8.107 1.00 0.00 C ATOM 538 CE LYS A 37 9.897 6.549 8.729 1.00 0.00 C ATOM 539 NZ LYS A 37 8.920 6.009 7.757 1.00 0.00 N ATOM 0 H LYS A 37 14.287 4.128 6.229 1.00 0.00 H new ATOM 0 HA LYS A 37 12.417 2.711 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.964 5.080 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.755 4.375 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.099 5.129 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.225 5.907 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.747 7.663 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.149 7.144 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.015 5.840 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.502 7.469 9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.379 5.239 8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.269 6.765 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.425 5.643 6.924 1.00 0.00 H new ATOM 553 N LEU A 38 12.849 2.150 4.875 1.00 0.00 N ATOM 554 CA LEU A 38 12.382 1.407 3.718 1.00 0.00 C ATOM 555 C LEU A 38 11.969 0.001 4.113 1.00 0.00 C ATOM 556 O LEU A 38 10.920 -0.445 3.670 1.00 0.00 O ATOM 557 CB LEU A 38 13.460 1.396 2.631 1.00 0.00 C ATOM 558 CG LEU A 38 13.021 0.726 1.318 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.783 1.426 0.739 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.185 0.775 0.326 1.00 0.00 C ATOM 0 H LEU A 38 13.838 2.399 4.847 1.00 0.00 H new ATOM 0 HA LEU A 38 11.499 1.901 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.759 2.423 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.341 0.880 3.013 1.00 0.00 H new ATOM 0 HG LEU A 38 12.751 -0.312 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.489 0.936 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.964 1.367 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.016 2.472 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.886 0.303 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.459 1.813 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.041 0.244 0.743 1.00 0.00 H new ATOM 572 N GLY A 39 12.681 -0.662 5.027 1.00 0.00 N ATOM 573 CA GLY A 39 12.329 -2.016 5.444 1.00 0.00 C ATOM 574 C GLY A 39 10.902 -2.112 5.991 1.00 0.00 C ATOM 575 O GLY A 39 10.301 -3.186 5.940 1.00 0.00 O ATOM 0 H GLY A 39 13.505 -0.280 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.435 -2.692 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.030 -2.351 6.208 1.00 0.00 H new ATOM 579 N ARG A 40 10.326 -1.018 6.512 1.00 0.00 N ATOM 580 CA ARG A 40 8.956 -1.021 7.022 1.00 0.00 C ATOM 581 C ARG A 40 7.973 -1.264 5.881 1.00 0.00 C ATOM 582 O ARG A 40 6.917 -1.852 6.101 1.00 0.00 O ATOM 583 CB ARG A 40 8.645 0.319 7.712 1.00 0.00 C ATOM 584 CG ARG A 40 7.215 0.433 8.254 1.00 0.00 C ATOM 585 CD ARG A 40 6.893 -0.700 9.233 1.00 0.00 C ATOM 586 NE ARG A 40 5.563 -0.542 9.824 1.00 0.00 N ATOM 587 CZ ARG A 40 5.264 0.238 10.864 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.196 1.002 11.424 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.026 0.247 11.336 1.00 0.00 N ATOM 0 H ARG A 40 10.796 -0.116 6.589 1.00 0.00 H new ATOM 0 HA ARG A 40 8.854 -1.824 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.345 0.462 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.818 1.128 7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.090 1.394 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.508 0.411 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.949 -1.657 8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.643 -0.722 10.024 1.00 0.00 H new ATOM 0 HE ARG A 40 4.800 -1.074 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.148 0.995 11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.959 1.596 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.311 -0.339 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.788 0.840 12.131 1.00 0.00 H new ATOM 603 N VAL A 41 8.288 -0.799 4.676 1.00 0.00 N ATOM 604 CA VAL A 41 7.453 -0.962 3.502 1.00 0.00 C ATOM 605 C VAL A 41 7.223 -2.459 3.273 1.00 0.00 C ATOM 606 O VAL A 41 6.077 -2.855 3.079 1.00 0.00 O ATOM 607 CB VAL A 41 8.101 -0.232 2.306 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.312 -0.389 1.004 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.252 1.275 2.594 1.00 0.00 C ATOM 0 H VAL A 41 9.151 -0.288 4.490 1.00 0.00 H new ATOM 0 HA VAL A 41 6.471 -0.507 3.635 1.00 0.00 H new ATOM 0 HB VAL A 41 9.077 -0.700 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.821 0.148 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.243 -1.446 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.310 0.019 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.711 1.765 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.270 1.710 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.882 1.416 3.472 1.00 0.00 H new ATOM 619 N VAL A 42 8.243 -3.313 3.417 1.00 0.00 N ATOM 620 CA VAL A 42 8.111 -4.753 3.204 1.00 0.00 C ATOM 621 C VAL A 42 7.034 -5.376 4.098 1.00 0.00 C ATOM 622 O VAL A 42 6.290 -6.256 3.660 1.00 0.00 O ATOM 623 CB VAL A 42 9.495 -5.438 3.314 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.730 -6.241 4.604 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.659 -6.387 2.132 1.00 0.00 C ATOM 0 H VAL A 42 9.183 -3.021 3.685 1.00 0.00 H new ATOM 0 HA VAL A 42 7.754 -4.926 2.189 1.00 0.00 H new ATOM 0 HB VAL A 42 10.225 -4.629 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.727 -6.680 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.644 -5.579 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.986 -7.034 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.630 -6.879 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.869 -7.138 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.596 -5.823 1.201 1.00 0.00 H new ATOM 635 N HIS A 43 6.912 -4.908 5.344 1.00 0.00 N ATOM 636 CA HIS A 43 5.916 -5.413 6.286 1.00 0.00 C ATOM 637 C HIS A 43 4.508 -5.225 5.713 1.00 0.00 C ATOM 638 O HIS A 43 3.621 -6.029 6.012 1.00 0.00 O ATOM 639 CB HIS A 43 5.997 -4.708 7.649 1.00 0.00 C ATOM 640 CG HIS A 43 7.136 -5.138 8.538 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.034 -5.952 9.645 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.432 -4.716 8.456 1.00 0.00 C ATOM 643 CE1 HIS A 43 8.254 -6.042 10.202 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.135 -5.272 9.534 1.00 0.00 N ATOM 0 H HIS A 43 7.502 -4.169 5.725 1.00 0.00 H new ATOM 0 HA HIS A 43 6.127 -6.472 6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.078 -3.634 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.061 -4.876 8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.843 -4.069 7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.494 -6.647 11.064 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.117 -5.123 9.766 1.00 0.00 H new ATOM 652 N ILE A 44 4.291 -4.167 4.922 1.00 0.00 N ATOM 653 CA ILE A 44 2.998 -3.886 4.318 1.00 0.00 C ATOM 654 C ILE A 44 2.682 -4.987 3.304 1.00 0.00 C ATOM 655 O ILE A 44 1.559 -5.497 3.315 1.00 0.00 O ATOM 656 CB ILE A 44 2.978 -2.480 3.672 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.318 -1.378 4.703 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.606 -2.229 3.023 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.508 0.030 4.128 1.00 0.00 C ATOM 0 H ILE A 44 5.013 -3.485 4.687 1.00 0.00 H new ATOM 0 HA ILE A 44 2.225 -3.881 5.086 1.00 0.00 H new ATOM 0 HB ILE A 44 3.747 -2.441 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.522 -1.343 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.231 -1.664 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.594 -1.238 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.423 -2.982 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.827 -2.289 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.742 0.724 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.326 0.021 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.591 0.347 3.632 1.00 0.00 H new ATOM 671 N ILE A 45 3.624 -5.345 2.421 1.00 0.00 N ATOM 672 CA ILE A 45 3.370 -6.393 1.437 1.00 0.00 C ATOM 673 C ILE A 45 3.153 -7.720 2.160 1.00 0.00 C ATOM 674 O ILE A 45 2.185 -8.406 1.840 1.00 0.00 O ATOM 675 CB ILE A 45 4.459 -6.507 0.350 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.658 -5.202 -0.451 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.014 -7.603 -0.626 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.872 -4.418 0.041 1.00 0.00 C ATOM 0 H ILE A 45 4.554 -4.929 2.371 1.00 0.00 H new ATOM 0 HA ILE A 45 2.466 -6.117 0.894 1.00 0.00 H new ATOM 0 HB ILE A 45 5.406 -6.730 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.781 -5.439 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.765 -4.582 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.760 -7.715 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.908 -8.546 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.057 -7.328 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.979 -3.506 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.737 -4.159 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.768 -5.028 -0.069 1.00 0.00 H new ATOM 690 N GLN A 46 3.950 -8.048 3.182 1.00 0.00 N ATOM 691 CA GLN A 46 3.798 -9.300 3.921 1.00 0.00 C ATOM 692 C GLN A 46 2.384 -9.470 4.499 1.00 0.00 C ATOM 693 O GLN A 46 1.939 -10.601 4.700 1.00 0.00 O ATOM 694 CB GLN A 46 4.852 -9.401 5.025 1.00 0.00 C ATOM 695 CG GLN A 46 6.257 -9.679 4.467 1.00 0.00 C ATOM 696 CD GLN A 46 7.260 -10.015 5.570 1.00 0.00 C ATOM 697 OE1 GLN A 46 6.889 -10.442 6.663 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.537 -9.844 5.313 1.00 0.00 N ATOM 0 H GLN A 46 4.711 -7.457 3.516 1.00 0.00 H new ATOM 0 HA GLN A 46 3.950 -10.114 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.867 -8.472 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.575 -10.196 5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.208 -10.506 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.606 -8.807 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.831 -9.489 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.234 -10.066 6.024 1.00 0.00 H new ATOM 707 N SER A 47 1.650 -8.381 4.764 1.00 0.00 N ATOM 708 CA SER A 47 0.288 -8.490 5.282 1.00 0.00 C ATOM 709 C SER A 47 -0.620 -9.108 4.203 1.00 0.00 C ATOM 710 O SER A 47 -1.636 -9.737 4.506 1.00 0.00 O ATOM 711 CB SER A 47 -0.212 -7.094 5.695 1.00 0.00 C ATOM 712 OG SER A 47 -1.535 -7.148 6.192 1.00 0.00 O ATOM 0 H SER A 47 1.977 -7.424 4.628 1.00 0.00 H new ATOM 0 HA SER A 47 0.268 -9.137 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.448 -6.680 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.171 -6.422 4.838 1.00 0.00 H new ATOM 0 HG SER A 47 -1.825 -6.248 6.448 1.00 0.00 H new ATOM 718 N ARG A 48 -0.295 -8.912 2.922 1.00 0.00 N ATOM 719 CA ARG A 48 -1.038 -9.402 1.762 1.00 0.00 C ATOM 720 C ARG A 48 -0.460 -10.680 1.182 1.00 0.00 C ATOM 721 O ARG A 48 -1.234 -11.472 0.650 1.00 0.00 O ATOM 722 CB ARG A 48 -1.073 -8.319 0.673 1.00 0.00 C ATOM 723 CG ARG A 48 -1.480 -6.928 1.183 1.00 0.00 C ATOM 724 CD ARG A 48 -2.924 -6.808 1.677 1.00 0.00 C ATOM 725 NE ARG A 48 -3.120 -7.445 2.984 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.180 -7.333 3.782 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.254 -6.649 3.395 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.143 -7.936 4.961 1.00 0.00 N ATOM 0 H ARG A 48 0.534 -8.381 2.655 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.046 -9.632 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.088 -8.251 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.770 -8.626 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.811 -6.647 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.327 -6.206 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.196 -5.755 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.594 -7.265 0.949 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.361 -8.039 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.272 -6.203 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.060 -6.571 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.317 -8.468 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.940 -7.868 5.594 1.00 0.00 H new ATOM 742 N GLU A 49 0.842 -10.904 1.323 1.00 0.00 N ATOM 743 CA GLU A 49 1.535 -12.078 0.813 1.00 0.00 C ATOM 744 C GLU A 49 1.887 -12.985 2.000 1.00 0.00 C ATOM 745 O GLU A 49 3.010 -12.928 2.507 1.00 0.00 O ATOM 746 CB GLU A 49 2.781 -11.657 0.009 1.00 0.00 C ATOM 747 CG GLU A 49 2.500 -10.709 -1.166 1.00 0.00 C ATOM 748 CD GLU A 49 1.441 -11.215 -2.151 1.00 0.00 C ATOM 749 OE1 GLU A 49 1.356 -12.451 -2.358 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.722 -10.391 -2.764 1.00 0.00 O ATOM 0 H GLU A 49 1.460 -10.255 1.809 1.00 0.00 H new ATOM 0 HA GLU A 49 0.896 -12.634 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.487 -11.175 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.269 -12.553 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.179 -9.745 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.430 -10.537 -1.708 1.00 0.00 H new ATOM 757 N PRO A 50 0.969 -13.849 2.475 1.00 0.00 N ATOM 758 CA PRO A 50 1.248 -14.721 3.612 1.00 0.00 C ATOM 759 C PRO A 50 2.410 -15.679 3.343 1.00 0.00 C ATOM 760 O PRO A 50 3.130 -16.015 4.282 1.00 0.00 O ATOM 761 CB PRO A 50 -0.058 -15.456 3.910 1.00 0.00 C ATOM 762 CG PRO A 50 -0.791 -15.422 2.572 1.00 0.00 C ATOM 763 CD PRO A 50 -0.391 -14.065 2.006 1.00 0.00 C ATOM 0 HA PRO A 50 1.574 -14.141 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.122 -16.478 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.629 -14.960 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.483 -16.239 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.870 -15.506 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.438 -14.062 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.059 -13.278 2.356 1.00 0.00 H new ATOM 771 N SER A 51 2.620 -16.094 2.089 1.00 0.00 N ATOM 772 CA SER A 51 3.708 -16.989 1.705 1.00 0.00 C ATOM 773 C SER A 51 5.079 -16.314 1.808 1.00 0.00 C ATOM 774 O SER A 51 6.087 -17.016 1.795 1.00 0.00 O ATOM 775 CB SER A 51 3.466 -17.486 0.276 1.00 0.00 C ATOM 776 OG SER A 51 2.268 -18.239 0.245 1.00 0.00 O ATOM 0 H SER A 51 2.030 -15.812 1.306 1.00 0.00 H new ATOM 0 HA SER A 51 3.717 -17.829 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.397 -16.641 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.304 -18.099 -0.056 1.00 0.00 H new ATOM 0 HG SER A 51 2.106 -18.559 -0.667 1.00 0.00 H new ATOM 782 N LEU A 52 5.121 -14.980 1.873 1.00 0.00 N ATOM 783 CA LEU A 52 6.333 -14.173 1.990 1.00 0.00 C ATOM 784 C LEU A 52 6.449 -13.569 3.390 1.00 0.00 C ATOM 785 O LEU A 52 7.397 -12.844 3.693 1.00 0.00 O ATOM 786 CB LEU A 52 6.316 -13.088 0.894 1.00 0.00 C ATOM 787 CG LEU A 52 6.989 -13.507 -0.424 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.452 -13.923 -0.255 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.223 -14.610 -1.160 1.00 0.00 C ATOM 0 H LEU A 52 4.274 -14.412 1.844 1.00 0.00 H new ATOM 0 HA LEU A 52 7.212 -14.801 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.282 -12.813 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.814 -12.196 1.275 1.00 0.00 H new ATOM 0 HG LEU A 52 6.966 -12.604 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.864 -14.206 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.023 -13.089 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.513 -14.771 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.746 -14.863 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.158 -15.494 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.219 -14.259 -1.397 1.00 0.00 H new ATOM 801 N LYS A 53 5.466 -13.818 4.257 1.00 0.00 N ATOM 802 CA LYS A 53 5.475 -13.293 5.604 1.00 0.00 C ATOM 803 C LYS A 53 6.596 -13.972 6.382 1.00 0.00 C ATOM 804 O LYS A 53 6.822 -15.182 6.290 1.00 0.00 O ATOM 805 CB LYS A 53 4.075 -13.438 6.204 1.00 0.00 C ATOM 806 CG LYS A 53 3.892 -12.725 7.551 1.00 0.00 C ATOM 807 CD LYS A 53 2.419 -12.359 7.795 1.00 0.00 C ATOM 808 CE LYS A 53 1.495 -13.586 7.818 1.00 0.00 C ATOM 809 NZ LYS A 53 0.070 -13.197 7.818 1.00 0.00 N ATOM 0 H LYS A 53 4.649 -14.388 4.037 1.00 0.00 H new ATOM 0 HA LYS A 53 5.694 -12.226 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.346 -13.045 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.855 -14.498 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.247 -13.368 8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.502 -11.822 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.334 -11.828 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.086 -11.674 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.701 -14.213 6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.708 -14.186 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.523 -14.051 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.132 -12.620 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.139 -12.646 6.961 1.00 0.00 H new ATOM 823 N ASN A 54 7.275 -13.173 7.195 1.00 0.00 N ATOM 824 CA ASN A 54 8.407 -13.500 8.052 1.00 0.00 C ATOM 825 C ASN A 54 9.711 -13.583 7.264 1.00 0.00 C ATOM 826 O ASN A 54 10.749 -13.826 7.882 1.00 0.00 O ATOM 827 CB ASN A 54 8.183 -14.711 8.974 1.00 0.00 C ATOM 828 CG ASN A 54 6.804 -14.732 9.610 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.336 -13.730 10.147 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.110 -15.849 9.548 1.00 0.00 N ATOM 0 H ASN A 54 7.023 -12.188 7.279 1.00 0.00 H new ATOM 0 HA ASN A 54 8.500 -12.660 8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.326 -15.627 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.938 -14.706 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.173 -15.890 9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.510 -16.673 9.100 1.00 0.00 H new ATOM 837 N SER A 55 9.694 -13.416 5.939 1.00 0.00 N ATOM 838 CA SER A 55 10.916 -13.436 5.153 1.00 0.00 C ATOM 839 C SER A 55 11.653 -12.116 5.440 1.00 0.00 C ATOM 840 O SER A 55 11.039 -11.124 5.852 1.00 0.00 O ATOM 841 CB SER A 55 10.572 -13.626 3.671 1.00 0.00 C ATOM 842 OG SER A 55 9.886 -14.858 3.510 1.00 0.00 O ATOM 0 H SER A 55 8.845 -13.266 5.394 1.00 0.00 H new ATOM 0 HA SER A 55 11.568 -14.268 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.952 -12.801 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.481 -13.620 3.070 1.00 0.00 H new ATOM 0 HG SER A 55 9.661 -14.986 2.565 1.00 0.00 H new ATOM 848 N ASN A 56 12.976 -12.099 5.280 1.00 0.00 N ATOM 849 CA ASN A 56 13.765 -10.894 5.534 1.00 0.00 C ATOM 850 C ASN A 56 13.576 -9.907 4.377 1.00 0.00 C ATOM 851 O ASN A 56 13.457 -10.373 3.244 1.00 0.00 O ATOM 852 CB ASN A 56 15.252 -11.270 5.607 1.00 0.00 C ATOM 853 CG ASN A 56 16.044 -10.310 6.477 1.00 0.00 C ATOM 854 OD1 ASN A 56 17.053 -9.643 5.948 1.00 0.00 O flip ATOM 855 ND2 ASN A 56 15.756 -10.156 7.660 1.00 0.00 N flip ATOM 0 H ASN A 56 13.523 -12.904 4.976 1.00 0.00 H new ATOM 0 HA ASN A 56 13.440 -10.442 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.350 -12.281 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.673 -11.278 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.976 -10.672 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.297 -9.511 8.237 1.00 0.00 H new ATOM 862 N PRO A 57 13.648 -8.578 4.579 1.00 0.00 N ATOM 863 CA PRO A 57 13.490 -7.629 3.482 1.00 0.00 C ATOM 864 C PRO A 57 14.533 -7.881 2.393 1.00 0.00 C ATOM 865 O PRO A 57 14.189 -7.858 1.216 1.00 0.00 O ATOM 866 CB PRO A 57 13.595 -6.220 4.076 1.00 0.00 C ATOM 867 CG PRO A 57 14.043 -6.421 5.522 1.00 0.00 C ATOM 868 CD PRO A 57 13.775 -7.889 5.846 1.00 0.00 C ATOM 0 HA PRO A 57 12.520 -7.747 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.312 -5.613 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.637 -5.702 4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.100 -6.182 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.491 -5.766 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.589 -8.310 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.865 -7.995 6.437 1.00 0.00 H new ATOM 876 N ASP A 58 15.770 -8.212 2.776 1.00 0.00 N ATOM 877 CA ASP A 58 16.883 -8.483 1.858 1.00 0.00 C ATOM 878 C ASP A 58 16.642 -9.690 0.944 1.00 0.00 C ATOM 879 O ASP A 58 17.381 -9.880 -0.019 1.00 0.00 O ATOM 880 CB ASP A 58 18.192 -8.694 2.645 1.00 0.00 C ATOM 881 CG ASP A 58 18.654 -7.449 3.397 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.662 -6.351 2.801 1.00 0.00 O ATOM 883 OD2 ASP A 58 18.970 -7.550 4.611 1.00 0.00 O ATOM 0 H ASP A 58 16.033 -8.301 3.758 1.00 0.00 H new ATOM 0 HA ASP A 58 16.962 -7.605 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.053 -9.508 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.976 -9.005 1.955 1.00 0.00 H new ATOM 888 N GLU A 59 15.622 -10.503 1.223 1.00 0.00 N ATOM 889 CA GLU A 59 15.284 -11.693 0.452 1.00 0.00 C ATOM 890 C GLU A 59 14.028 -11.510 -0.409 1.00 0.00 C ATOM 891 O GLU A 59 13.763 -12.323 -1.296 1.00 0.00 O ATOM 892 CB GLU A 59 15.017 -12.823 1.459 1.00 0.00 C ATOM 893 CG GLU A 59 16.216 -13.175 2.351 1.00 0.00 C ATOM 894 CD GLU A 59 17.314 -13.840 1.536 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.210 -15.068 1.317 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.273 -13.161 1.108 1.00 0.00 O ATOM 0 H GLU A 59 14.995 -10.345 2.012 1.00 0.00 H new ATOM 0 HA GLU A 59 16.110 -11.911 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.179 -12.536 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.712 -13.715 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.603 -12.272 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.897 -13.841 3.152 1.00 0.00 H new ATOM 903 N ILE A 60 13.241 -10.468 -0.151 1.00 0.00 N ATOM 904 CA ILE A 60 11.991 -10.173 -0.848 1.00 0.00 C ATOM 905 C ILE A 60 12.234 -9.295 -2.083 1.00 0.00 C ATOM 906 O ILE A 60 13.286 -8.662 -2.222 1.00 0.00 O ATOM 907 CB ILE A 60 11.043 -9.531 0.202 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.680 -10.569 1.291 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.740 -8.972 -0.393 1.00 0.00 C ATOM 910 CD1 ILE A 60 10.090 -9.949 2.558 1.00 0.00 C ATOM 0 H ILE A 60 13.463 -9.784 0.572 1.00 0.00 H new ATOM 0 HA ILE A 60 11.527 -11.074 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 60 11.594 -8.689 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.965 -11.281 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.574 -11.133 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.132 -8.541 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.976 -8.202 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.186 -9.777 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.860 -10.737 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.811 -9.259 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.177 -9.409 2.308 1.00 0.00 H new ATOM 922 N GLU A 61 11.249 -9.242 -2.983 1.00 0.00 N ATOM 923 CA GLU A 61 11.253 -8.447 -4.200 1.00 0.00 C ATOM 924 C GLU A 61 9.870 -7.823 -4.371 1.00 0.00 C ATOM 925 O GLU A 61 8.861 -8.446 -4.027 1.00 0.00 O ATOM 926 CB GLU A 61 11.621 -9.309 -5.421 1.00 0.00 C ATOM 927 CG GLU A 61 13.115 -9.639 -5.480 1.00 0.00 C ATOM 928 CD GLU A 61 14.002 -8.400 -5.642 1.00 0.00 C ATOM 929 OE1 GLU A 61 13.481 -7.275 -5.815 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.239 -8.541 -5.543 1.00 0.00 O ATOM 0 H GLU A 61 10.389 -9.780 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 61 12.006 -7.662 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.049 -10.236 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.332 -8.784 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.400 -10.165 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.297 -10.320 -6.312 1.00 0.00 H new ATOM 937 N ILE A 62 9.792 -6.621 -4.939 1.00 0.00 N ATOM 938 CA ILE A 62 8.542 -5.900 -5.155 1.00 0.00 C ATOM 939 C ILE A 62 8.246 -5.938 -6.649 1.00 0.00 C ATOM 940 O ILE A 62 8.946 -5.308 -7.441 1.00 0.00 O ATOM 941 CB ILE A 62 8.641 -4.470 -4.580 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.035 -4.543 -3.086 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.305 -3.723 -4.758 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.083 -3.185 -2.393 1.00 0.00 C ATOM 0 H ILE A 62 10.613 -6.112 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 62 7.710 -6.366 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 62 9.408 -3.916 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.323 -5.182 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.012 -5.018 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.393 -2.717 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.061 -3.662 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.515 -4.261 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.366 -3.319 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.816 -2.549 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.101 -2.715 -2.445 1.00 0.00 H new ATOM 956 N ASP A 63 7.197 -6.656 -7.041 1.00 0.00 N ATOM 957 CA ASP A 63 6.774 -6.811 -8.428 1.00 0.00 C ATOM 958 C ASP A 63 5.329 -6.348 -8.510 1.00 0.00 C ATOM 959 O ASP A 63 4.423 -7.042 -8.054 1.00 0.00 O ATOM 960 CB ASP A 63 6.935 -8.270 -8.865 1.00 0.00 C ATOM 961 CG ASP A 63 8.334 -8.528 -9.404 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.546 -8.224 -10.599 1.00 0.00 O ATOM 963 OD2 ASP A 63 9.186 -9.057 -8.654 1.00 0.00 O ATOM 0 H ASP A 63 6.602 -7.160 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 63 7.387 -6.214 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.740 -8.930 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.197 -8.507 -9.631 1.00 0.00 H new ATOM 968 N PHE A 64 5.077 -5.160 -9.064 1.00 0.00 N ATOM 969 CA PHE A 64 3.715 -4.606 -9.179 1.00 0.00 C ATOM 970 C PHE A 64 2.855 -5.405 -10.165 1.00 0.00 C ATOM 971 O PHE A 64 1.655 -5.188 -10.335 1.00 0.00 O ATOM 972 CB PHE A 64 3.763 -3.128 -9.566 1.00 0.00 C ATOM 973 CG PHE A 64 4.644 -2.246 -8.701 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.551 -2.287 -7.295 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.552 -1.360 -9.309 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.349 -1.441 -6.506 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.366 -0.535 -8.518 1.00 0.00 C ATOM 978 CZ PHE A 64 6.261 -0.567 -7.118 1.00 0.00 C ATOM 0 H PHE A 64 5.803 -4.553 -9.445 1.00 0.00 H new ATOM 0 HA PHE A 64 3.244 -4.690 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.108 -3.053 -10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.748 -2.732 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.863 -2.972 -6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.623 -1.315 -10.386 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.261 -1.463 -5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.077 0.128 -8.988 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.880 0.079 -6.514 1.00 0.00 H new ATOM 988 N GLU A 65 3.522 -6.341 -10.815 1.00 0.00 N ATOM 989 CA GLU A 65 3.093 -7.295 -11.790 1.00 0.00 C ATOM 990 C GLU A 65 2.319 -8.429 -11.117 1.00 0.00 C ATOM 991 O GLU A 65 1.375 -8.950 -11.707 1.00 0.00 O ATOM 992 CB GLU A 65 4.404 -7.773 -12.422 1.00 0.00 C ATOM 993 CG GLU A 65 4.985 -6.735 -13.391 1.00 0.00 C ATOM 994 CD GLU A 65 4.471 -6.922 -14.824 1.00 0.00 C ATOM 995 OE1 GLU A 65 3.411 -6.362 -15.189 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.082 -7.685 -15.609 1.00 0.00 O ATOM 0 H GLU A 65 4.520 -6.454 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 65 2.410 -6.889 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.130 -7.983 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.231 -8.709 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.729 -5.734 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.073 -6.806 -13.386 1.00 0.00 H new ATOM 1003 N THR A 66 2.669 -8.783 -9.880 1.00 0.00 N ATOM 1004 CA THR A 66 1.999 -9.830 -9.119 1.00 0.00 C ATOM 1005 C THR A 66 1.334 -9.213 -7.888 1.00 0.00 C ATOM 1006 O THR A 66 0.438 -9.830 -7.309 1.00 0.00 O ATOM 1007 CB THR A 66 2.995 -10.961 -8.805 1.00 0.00 C ATOM 1008 OG1 THR A 66 2.351 -12.131 -8.340 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.088 -10.559 -7.818 1.00 0.00 C ATOM 0 H THR A 66 3.437 -8.342 -9.374 1.00 0.00 H new ATOM 0 HA THR A 66 1.199 -10.291 -9.699 1.00 0.00 H new ATOM 0 HB THR A 66 3.474 -11.173 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.021 -12.822 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.752 -11.406 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.661 -9.727 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.633 -10.256 -6.875 1.00 0.00 H new ATOM 1017 N LEU A 67 1.725 -7.998 -7.480 1.00 0.00 N ATOM 1018 CA LEU A 67 1.104 -7.390 -6.313 1.00 0.00 C ATOM 1019 C LEU A 67 -0.302 -6.960 -6.701 1.00 0.00 C ATOM 1020 O LEU A 67 -0.516 -6.284 -7.712 1.00 0.00 O ATOM 1021 CB LEU A 67 1.956 -6.266 -5.718 1.00 0.00 C ATOM 1022 CG LEU A 67 3.226 -6.774 -4.998 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.935 -5.592 -4.332 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.954 -7.867 -3.960 1.00 0.00 C ATOM 0 H LEU A 67 2.448 -7.436 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 67 1.033 -8.116 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.248 -5.581 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.351 -5.696 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 67 3.858 -7.230 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.832 -5.946 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.213 -4.860 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.266 -5.127 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.893 -8.172 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.281 -7.482 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.494 -8.726 -4.448 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.277 -7.398 -5.906 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.685 -7.111 -6.131 1.00 0.00 C ATOM 1038 C LYS A 68 -2.988 -5.617 -6.091 1.00 0.00 C ATOM 1039 O LYS A 68 -2.339 -4.881 -5.344 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.537 -7.777 -5.035 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.774 -9.279 -5.219 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.598 -10.134 -4.728 1.00 0.00 C ATOM 1043 CE LYS A 68 -3.042 -11.582 -4.519 1.00 0.00 C ATOM 1044 NZ LYS A 68 -3.423 -12.271 -5.769 1.00 0.00 N ATOM 0 H LYS A 68 -1.105 -7.969 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.925 -7.499 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.052 -7.617 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.504 -7.275 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.676 -9.568 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.952 -9.487 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.786 -10.097 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.210 -9.728 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.234 -12.135 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.889 -11.598 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.713 -13.246 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.214 -11.766 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.611 -12.287 -6.418 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.059 -5.166 -6.769 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.468 -3.771 -6.766 1.00 0.00 C ATOM 1060 C PRO A 69 -4.948 -3.326 -5.384 1.00 0.00 C ATOM 1061 O PRO A 69 -5.157 -2.132 -5.204 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.576 -3.637 -7.793 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.150 -5.048 -7.856 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.920 -5.924 -7.674 1.00 0.00 C ATOM 0 HA PRO A 69 -3.623 -3.129 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.326 -2.908 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.194 -3.312 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.888 -5.219 -7.072 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.646 -5.240 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.183 -6.894 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.425 -6.115 -8.626 1.00 0.00 H new ATOM 1072 N SER A 70 -5.125 -4.252 -4.436 1.00 0.00 N ATOM 1073 CA SER A 70 -5.538 -4.070 -3.048 1.00 0.00 C ATOM 1074 C SER A 70 -4.325 -4.013 -2.094 1.00 0.00 C ATOM 1075 O SER A 70 -4.476 -3.718 -0.911 1.00 0.00 O ATOM 1076 CB SER A 70 -6.500 -5.209 -2.682 1.00 0.00 C ATOM 1077 OG SER A 70 -5.968 -6.450 -3.126 1.00 0.00 O ATOM 0 H SER A 70 -4.967 -5.238 -4.644 1.00 0.00 H new ATOM 0 HA SER A 70 -6.048 -3.113 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.655 -5.234 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.474 -5.036 -3.140 1.00 0.00 H new ATOM 0 HG SER A 70 -6.585 -7.174 -2.889 1.00 0.00 H new ATOM 1083 N THR A 71 -3.114 -4.310 -2.579 1.00 0.00 N ATOM 1084 CA THR A 71 -1.883 -4.248 -1.782 1.00 0.00 C ATOM 1085 C THR A 71 -1.244 -2.865 -1.934 1.00 0.00 C ATOM 1086 O THR A 71 -0.779 -2.265 -0.967 1.00 0.00 O ATOM 1087 CB THR A 71 -0.927 -5.326 -2.316 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.546 -6.586 -2.175 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.447 -5.341 -1.637 1.00 0.00 C ATOM 0 H THR A 71 -2.959 -4.603 -3.544 1.00 0.00 H new ATOM 0 HA THR A 71 -2.097 -4.418 -0.727 1.00 0.00 H new ATOM 0 HB THR A 71 -0.734 -5.089 -3.362 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.948 -7.284 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.059 -6.131 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.937 -4.379 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.323 -5.525 -0.570 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.245 -2.346 -3.161 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.650 -1.072 -3.535 1.00 0.00 C ATOM 1099 C LEU A 72 -1.163 0.138 -2.760 1.00 0.00 C ATOM 1100 O LEU A 72 -0.357 0.990 -2.405 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.778 -0.871 -5.045 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.218 -2.029 -5.893 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.698 -1.882 -7.331 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.305 -2.148 -5.865 1.00 0.00 C ATOM 0 H LEU A 72 -1.679 -2.824 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 72 0.401 -1.134 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.830 -0.732 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.261 0.048 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.597 -2.948 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.302 -2.701 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.787 -1.907 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.348 -0.933 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.616 -2.987 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.749 -1.229 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.638 -2.313 -4.840 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.462 0.258 -2.474 1.00 0.00 N ATOM 1117 CA ARG A 73 -2.977 1.408 -1.735 1.00 0.00 C ATOM 1118 C ARG A 73 -2.426 1.424 -0.326 1.00 0.00 C ATOM 1119 O ARG A 73 -2.197 2.503 0.195 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.515 1.424 -1.682 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.185 1.825 -3.008 1.00 0.00 C ATOM 1122 CD ARG A 73 -4.936 3.302 -3.321 1.00 0.00 C ATOM 1123 NE ARG A 73 -5.749 3.777 -4.452 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.403 4.945 -4.507 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -6.466 5.761 -3.457 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.013 5.289 -5.633 1.00 0.00 N ATOM 0 H ARG A 73 -3.171 -0.424 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.648 2.299 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.868 0.434 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.834 2.116 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.797 1.207 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.257 1.637 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.160 3.901 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.880 3.450 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.821 3.164 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.009 5.503 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.971 6.644 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.980 4.668 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.515 6.175 -5.691 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.183 0.270 0.292 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.650 0.248 1.650 1.00 0.00 C ATOM 1142 C GLU A 74 -0.229 0.819 1.678 1.00 0.00 C ATOM 1143 O GLU A 74 0.183 1.377 2.700 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.699 -1.180 2.219 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.088 -1.568 2.745 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.560 -0.657 3.886 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.709 -0.091 4.612 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.793 -0.477 4.024 1.00 0.00 O ATOM 0 H GLU A 74 -2.344 -0.649 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.271 0.880 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.400 -1.885 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.973 -1.269 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.808 -1.524 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.065 -2.600 3.094 1.00 0.00 H new ATOM 1155 N LEU A 75 0.508 0.673 0.570 1.00 0.00 N ATOM 1156 CA LEU A 75 1.868 1.165 0.385 1.00 0.00 C ATOM 1157 C LEU A 75 1.778 2.667 0.090 1.00 0.00 C ATOM 1158 O LEU A 75 2.430 3.465 0.764 1.00 0.00 O ATOM 1159 CB LEU A 75 2.563 0.427 -0.778 1.00 0.00 C ATOM 1160 CG LEU A 75 2.762 -1.090 -0.603 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.136 -1.751 -1.935 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.891 -1.377 0.380 1.00 0.00 C ATOM 0 H LEU A 75 0.153 0.187 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 75 2.460 0.986 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.981 0.593 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.540 0.884 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 75 1.820 -1.493 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.271 -2.822 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.340 -1.584 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.064 -1.317 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.014 -2.455 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.818 -0.942 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.650 -0.940 1.349 1.00 0.00 H new ATOM 1174 N GLU A 76 0.928 3.057 -0.865 1.00 0.00 N ATOM 1175 CA GLU A 76 0.678 4.435 -1.294 1.00 0.00 C ATOM 1176 C GLU A 76 0.261 5.310 -0.115 1.00 0.00 C ATOM 1177 O GLU A 76 0.751 6.424 0.066 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.438 4.431 -2.351 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.726 5.822 -2.937 1.00 0.00 C ATOM 1180 CD GLU A 76 0.320 6.326 -3.936 1.00 0.00 C ATOM 1181 OE1 GLU A 76 0.932 5.496 -4.639 1.00 0.00 O ATOM 1182 OE2 GLU A 76 0.427 7.567 -4.068 1.00 0.00 O ATOM 0 H GLU A 76 0.367 2.384 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 76 1.597 4.845 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.161 3.754 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.351 4.037 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.698 5.799 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.801 6.538 -2.118 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.663 4.813 0.701 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.176 5.523 1.858 1.00 0.00 C ATOM 1191 C ARG A 77 -0.062 5.770 2.857 1.00 0.00 C ATOM 1192 O ARG A 77 -0.081 6.799 3.533 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.319 4.712 2.470 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.325 5.579 3.223 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.321 4.667 3.934 1.00 0.00 C ATOM 1196 NE ARG A 77 -5.366 5.402 4.662 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.272 5.908 5.896 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -4.097 5.982 6.520 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.371 6.339 6.502 1.00 0.00 N ATOM 0 H ARG A 77 -1.080 3.891 0.571 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.563 6.497 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.836 4.168 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.906 3.968 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.811 6.213 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.846 6.241 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.791 4.012 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.782 4.027 4.633 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.252 5.540 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.251 5.650 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.043 6.371 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.272 6.282 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.315 6.728 7.443 1.00 0.00 H new ATOM 1213 N TYR A 78 0.879 4.832 2.977 1.00 0.00 N ATOM 1214 CA TYR A 78 2.003 4.966 3.890 1.00 0.00 C ATOM 1215 C TYR A 78 2.909 6.097 3.417 1.00 0.00 C ATOM 1216 O TYR A 78 3.084 7.057 4.162 1.00 0.00 O ATOM 1217 CB TYR A 78 2.787 3.660 4.071 1.00 0.00 C ATOM 1218 CG TYR A 78 3.927 3.782 5.067 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.696 4.380 6.319 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.215 3.307 4.750 1.00 0.00 C ATOM 1221 CE1 TYR A 78 4.720 4.458 7.266 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.251 3.367 5.706 1.00 0.00 C ATOM 1223 CZ TYR A 78 5.990 3.919 6.986 1.00 0.00 C ATOM 1224 OH TYR A 78 6.936 3.951 7.964 1.00 0.00 O ATOM 0 H TYR A 78 0.879 3.963 2.444 1.00 0.00 H new ATOM 0 HA TYR A 78 1.604 5.208 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.105 2.877 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.187 3.347 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.720 4.782 6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.410 2.895 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.536 4.934 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.236 2.995 5.465 1.00 0.00 H new ATOM 0 HH TYR A 78 7.763 3.544 7.632 1.00 0.00 H new ATOM 1234 N VAL A 79 3.437 6.029 2.190 1.00 0.00 N ATOM 1235 CA VAL A 79 4.311 7.067 1.641 1.00 0.00 C ATOM 1236 C VAL A 79 3.630 8.432 1.726 1.00 0.00 C ATOM 1237 O VAL A 79 4.215 9.373 2.262 1.00 0.00 O ATOM 1238 CB VAL A 79 4.794 6.726 0.216 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.606 5.433 0.235 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.710 6.521 -0.841 1.00 0.00 C ATOM 0 H VAL A 79 3.269 5.252 1.551 1.00 0.00 H new ATOM 0 HA VAL A 79 5.213 7.112 2.251 1.00 0.00 H new ATOM 0 HB VAL A 79 5.365 7.610 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.943 5.200 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.471 5.556 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.985 4.619 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.175 6.287 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.061 5.698 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.119 7.432 -0.937 1.00 0.00 H new ATOM 1250 N THR A 80 2.368 8.516 1.298 1.00 0.00 N ATOM 1251 CA THR A 80 1.592 9.743 1.331 1.00 0.00 C ATOM 1252 C THR A 80 1.492 10.278 2.760 1.00 0.00 C ATOM 1253 O THR A 80 1.411 11.485 2.915 1.00 0.00 O ATOM 1254 CB THR A 80 0.185 9.482 0.757 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.227 8.955 -0.556 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.673 10.748 0.683 1.00 0.00 C ATOM 0 H THR A 80 1.857 7.721 0.916 1.00 0.00 H new ATOM 0 HA THR A 80 2.094 10.494 0.721 1.00 0.00 H new ATOM 0 HB THR A 80 -0.254 8.765 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.558 8.033 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.651 10.501 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.795 11.164 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.184 11.482 0.042 1.00 0.00 H new ATOM 1264 N SER A 81 1.489 9.431 3.791 1.00 0.00 N ATOM 1265 CA SER A 81 1.368 9.840 5.185 1.00 0.00 C ATOM 1266 C SER A 81 2.716 10.150 5.831 1.00 0.00 C ATOM 1267 O SER A 81 2.767 10.891 6.817 1.00 0.00 O ATOM 1268 CB SER A 81 0.609 8.727 5.927 1.00 0.00 C ATOM 1269 OG SER A 81 0.321 9.017 7.282 1.00 0.00 O ATOM 0 H SER A 81 1.573 8.421 3.674 1.00 0.00 H new ATOM 0 HA SER A 81 0.815 10.777 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.327 8.531 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.197 7.811 5.882 1.00 0.00 H new ATOM 0 HG SER A 81 -0.162 8.264 7.682 1.00 0.00 H new ATOM 1275 N CYS A 82 3.800 9.550 5.338 1.00 0.00 N ATOM 1276 CA CYS A 82 5.133 9.786 5.859 1.00 0.00 C ATOM 1277 C CYS A 82 5.582 11.148 5.331 1.00 0.00 C ATOM 1278 O CYS A 82 6.038 11.996 6.094 1.00 0.00 O ATOM 1279 CB CYS A 82 6.074 8.657 5.407 1.00 0.00 C ATOM 1280 SG CYS A 82 7.561 8.624 6.452 1.00 0.00 S ATOM 0 H CYS A 82 3.771 8.886 4.564 1.00 0.00 H new ATOM 0 HA CYS A 82 5.147 9.792 6.949 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.558 7.699 5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.356 8.804 4.365 1.00 0.00 H new ATOM 0 HG CYS A 82 8.567 8.177 5.761 1.00 0.00 H new ATOM 1286 N LEU A 83 5.427 11.353 4.023 1.00 0.00 N ATOM 1287 CA LEU A 83 5.801 12.573 3.332 1.00 0.00 C ATOM 1288 C LEU A 83 4.831 13.703 3.656 1.00 0.00 C ATOM 1289 O LEU A 83 5.259 14.741 4.157 1.00 0.00 O ATOM 1290 CB LEU A 83 5.838 12.316 1.814 1.00 0.00 C ATOM 1291 CG LEU A 83 6.824 11.214 1.387 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.691 10.944 -0.118 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.274 11.574 1.738 1.00 0.00 C ATOM 0 H LEU A 83 5.025 10.650 3.403 1.00 0.00 H new ATOM 0 HA LEU A 83 6.792 12.876 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.838 12.044 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.103 13.243 1.306 1.00 0.00 H new ATOM 0 HG LEU A 83 6.570 10.310 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.393 10.163 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.674 10.621 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.912 11.856 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.936 10.769 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.553 12.497 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.364 11.712 2.815 1.00 0.00 H new