USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 31 LYS NZ :NH3+ 156:sc= 0.318 (180deg=0.135) USER MOD Set 1.2: A 56 TYR OH : rot -15:sc= -0.947 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0.0586 (180deg=0.0584) USER MOD Single : A 14 LYS NZ :NH3+ -112:sc= 0.488 (180deg=-0.0741) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 109:sc= 0.735 USER MOD Single : A 26 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.349 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 45 THR OG1 : rot 62:sc= 0.376 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -0.515 (180deg=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -149:sc= 0.544 USER MOD Single : A 55 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.9) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 73 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.42) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= -0.363 (180deg=-2.47!) USER MOD Single : A 80 TYR OH : rot -114:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.972 17.706 6.871 1.00 0.00 N ATOM 174 CA ILE A 11 11.761 16.897 6.944 1.00 0.00 C ATOM 175 C ILE A 11 10.540 17.762 7.242 1.00 0.00 C ATOM 176 O ILE A 11 10.423 18.337 8.324 1.00 0.00 O ATOM 177 CB ILE A 11 11.878 15.805 8.024 1.00 0.00 C ATOM 178 CG1 ILE A 11 13.199 15.047 7.872 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.699 14.847 7.938 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.329 15.635 8.687 1.00 0.00 C ATOM 0 HA ILE A 11 11.639 16.422 5.970 1.00 0.00 H new ATOM 0 HB ILE A 11 11.864 16.281 9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.049 14.009 8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.486 15.040 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.796 14.081 8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.771 15.398 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.685 14.375 6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.234 15.048 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.506 16.664 8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.063 15.617 9.744 1.00 0.00 H new ATOM 192 N ALA A 12 9.632 17.847 6.275 1.00 0.00 N ATOM 193 CA ALA A 12 8.418 18.637 6.435 1.00 0.00 C ATOM 194 C ALA A 12 7.219 17.746 6.739 1.00 0.00 C ATOM 195 O ALA A 12 6.897 16.838 5.972 1.00 0.00 O ATOM 196 CB ALA A 12 8.160 19.465 5.185 1.00 0.00 C ATOM 0 H ALA A 12 9.715 17.378 5.373 1.00 0.00 H new ATOM 0 HA ALA A 12 8.560 19.310 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.250 20.050 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.001 20.136 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.043 18.802 4.327 1.00 0.00 H new ATOM 202 N LYS A 13 6.561 18.010 7.862 1.00 0.00 N ATOM 203 CA LYS A 13 5.396 17.233 8.268 1.00 0.00 C ATOM 204 C LYS A 13 4.318 18.136 8.859 1.00 0.00 C ATOM 205 O LYS A 13 4.614 19.202 9.400 1.00 0.00 O ATOM 206 CB LYS A 13 5.799 16.167 9.290 1.00 0.00 C ATOM 207 CG LYS A 13 6.150 16.735 10.654 1.00 0.00 C ATOM 208 CD LYS A 13 6.388 15.632 11.672 1.00 0.00 C ATOM 209 CE LYS A 13 7.771 15.019 11.517 1.00 0.00 C ATOM 210 NZ LYS A 13 8.293 14.494 12.809 1.00 0.00 N ATOM 0 H LYS A 13 6.815 18.757 8.508 1.00 0.00 H new ATOM 0 HA LYS A 13 4.990 16.744 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.981 15.455 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.655 15.612 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.043 17.355 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.343 17.382 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.278 16.035 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.630 14.857 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.730 14.211 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.459 15.769 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.245 14.100 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.340 15.266 13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.660 13.749 13.162 1.00 0.00 H new ATOM 224 N LYS A 14 3.066 17.703 8.753 1.00 0.00 N ATOM 225 CA LYS A 14 1.943 18.471 9.278 1.00 0.00 C ATOM 226 C LYS A 14 1.495 17.924 10.630 1.00 0.00 C ATOM 227 O LYS A 14 1.359 16.713 10.805 1.00 0.00 O ATOM 228 CB LYS A 14 0.774 18.443 8.292 1.00 0.00 C ATOM 229 CG LYS A 14 0.796 19.584 7.289 1.00 0.00 C ATOM 230 CD LYS A 14 -0.310 20.589 7.563 1.00 0.00 C ATOM 231 CE LYS A 14 0.051 21.516 8.714 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.609 21.106 9.984 1.00 0.00 N ATOM 0 H LYS A 14 2.803 16.824 8.308 1.00 0.00 H new ATOM 0 HA LYS A 14 2.271 19.502 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.787 17.496 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.162 18.479 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.763 20.086 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.685 19.185 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.498 21.178 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.234 20.060 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.132 21.520 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.243 22.536 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.317 21.819 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.077 20.187 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.105 21.026 10.736 1.00 0.00 H new ATOM 246 N ILE A 15 1.266 18.823 11.581 1.00 0.00 N ATOM 247 CA ILE A 15 0.831 18.430 12.915 1.00 0.00 C ATOM 248 C ILE A 15 -0.291 19.332 13.416 1.00 0.00 C ATOM 249 O ILE A 15 -0.451 20.459 12.947 1.00 0.00 O ATOM 250 CB ILE A 15 1.996 18.470 13.922 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.606 19.872 13.972 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.052 17.440 13.552 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.096 20.269 15.347 1.00 0.00 C ATOM 0 H ILE A 15 1.375 19.829 11.452 1.00 0.00 H new ATOM 0 HA ILE A 15 0.463 17.407 12.838 1.00 0.00 H new ATOM 0 HB ILE A 15 1.610 18.226 14.912 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.438 19.923 13.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.862 20.595 13.637 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.868 17.481 14.273 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.608 16.444 13.562 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.437 17.656 12.555 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.516 21.274 15.307 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.263 20.251 16.049 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.863 19.568 15.676 1.00 0.00 H new ATOM 265 N ASN A 16 -1.065 18.830 14.373 1.00 0.00 N ATOM 266 CA ASN A 16 -2.172 19.592 14.939 1.00 0.00 C ATOM 267 C ASN A 16 -2.017 19.736 16.450 1.00 0.00 C ATOM 268 O ASN A 16 -2.983 20.016 17.160 1.00 0.00 O ATOM 269 CB ASN A 16 -3.504 18.913 14.614 1.00 0.00 C ATOM 270 CG ASN A 16 -4.091 19.391 13.299 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.842 20.365 13.259 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.749 18.703 12.216 1.00 0.00 N ATOM 0 H ASN A 16 -0.946 17.899 14.773 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.161 20.587 14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.358 17.834 14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.214 19.108 15.418 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.112 18.976 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.123 17.902 12.297 1.00 0.00 H new ATOM 279 N SER A 17 -0.794 19.543 16.935 1.00 0.00 N ATOM 280 CA SER A 17 -0.513 19.648 18.362 1.00 0.00 C ATOM 281 C SER A 17 0.804 20.380 18.603 1.00 0.00 C ATOM 282 O SER A 17 1.805 20.119 17.935 1.00 0.00 O ATOM 283 CB SER A 17 -0.460 18.257 18.996 1.00 0.00 C ATOM 284 OG SER A 17 -1.512 17.438 18.517 1.00 0.00 O ATOM 0 H SER A 17 0.017 19.313 16.361 1.00 0.00 H new ATOM 0 HA SER A 17 -1.317 20.220 18.825 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.499 17.789 18.774 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.528 18.345 20.080 1.00 0.00 H new ATOM 0 HG SER A 17 -1.455 16.554 18.936 1.00 0.00 H new ATOM 290 N VAL A 18 0.795 21.300 19.563 1.00 0.00 N ATOM 291 CA VAL A 18 1.988 22.070 19.895 1.00 0.00 C ATOM 292 C VAL A 18 2.956 21.248 20.739 1.00 0.00 C ATOM 293 O VAL A 18 4.150 21.540 20.793 1.00 0.00 O ATOM 294 CB VAL A 18 1.629 23.361 20.655 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.635 24.191 19.858 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.076 23.030 22.033 1.00 0.00 C ATOM 0 H VAL A 18 -0.025 21.530 20.124 1.00 0.00 H new ATOM 0 HA VAL A 18 2.467 22.334 18.952 1.00 0.00 H new ATOM 0 HB VAL A 18 2.536 23.951 20.784 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.393 25.099 20.411 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.072 24.457 18.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.274 23.612 19.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.827 23.953 22.557 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.179 22.420 21.928 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.825 22.480 22.603 1.00 0.00 H new ATOM 306 N ASP A 19 2.432 20.220 21.397 1.00 0.00 N ATOM 307 CA ASP A 19 3.249 19.354 22.238 1.00 0.00 C ATOM 308 C ASP A 19 4.404 18.755 21.441 1.00 0.00 C ATOM 309 O ASP A 19 5.521 18.632 21.944 1.00 0.00 O ATOM 310 CB ASP A 19 2.395 18.237 22.839 1.00 0.00 C ATOM 311 CG ASP A 19 3.208 17.280 23.689 1.00 0.00 C ATOM 312 OD1 ASP A 19 3.568 17.655 24.824 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.485 16.156 23.218 1.00 0.00 O ATOM 0 H ASP A 19 1.445 19.966 21.364 1.00 0.00 H new ATOM 0 HA ASP A 19 3.663 19.959 23.045 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.604 18.676 23.447 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.910 17.682 22.036 1.00 0.00 H new ATOM 318 N ASP A 20 4.127 18.383 20.196 1.00 0.00 N ATOM 319 CA ASP A 20 5.143 17.797 19.329 1.00 0.00 C ATOM 320 C ASP A 20 5.991 18.883 18.674 1.00 0.00 C ATOM 321 O ASP A 20 6.108 18.938 17.450 1.00 0.00 O ATOM 322 CB ASP A 20 4.487 16.927 18.255 1.00 0.00 C ATOM 323 CG ASP A 20 5.363 15.762 17.839 1.00 0.00 C ATOM 324 OD1 ASP A 20 6.536 15.721 18.264 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.876 14.892 17.087 1.00 0.00 O ATOM 0 H ASP A 20 3.208 18.477 19.765 1.00 0.00 H new ATOM 0 HA ASP A 20 5.794 17.174 19.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.536 16.547 18.630 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.264 17.540 17.382 1.00 0.00 H new ATOM 330 N ILE A 21 6.579 19.744 19.497 1.00 0.00 N ATOM 331 CA ILE A 21 7.415 20.828 18.998 1.00 0.00 C ATOM 332 C ILE A 21 8.743 20.887 19.745 1.00 0.00 C ATOM 333 O ILE A 21 8.772 20.968 20.974 1.00 0.00 O ATOM 334 CB ILE A 21 6.707 22.190 19.124 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.444 22.214 18.262 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.650 23.316 18.724 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.686 23.521 18.336 1.00 0.00 C ATOM 0 H ILE A 21 6.492 19.712 20.513 1.00 0.00 H new ATOM 0 HA ILE A 21 7.602 20.622 17.944 1.00 0.00 H new ATOM 0 HB ILE A 21 6.417 22.338 20.164 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.718 22.021 17.225 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.786 21.403 18.574 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.135 24.272 18.818 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.523 23.308 19.376 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.967 23.175 17.691 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.803 23.466 17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.381 23.707 19.366 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.328 24.334 17.996 1.00 0.00 H new ATOM 349 N ILE A 22 9.840 20.847 18.996 1.00 0.00 N ATOM 350 CA ILE A 22 11.171 20.899 19.588 1.00 0.00 C ATOM 351 C ILE A 22 11.910 22.165 19.169 1.00 0.00 C ATOM 352 O ILE A 22 11.546 22.812 18.186 1.00 0.00 O ATOM 353 CB ILE A 22 12.012 19.672 19.190 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.081 19.546 17.666 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.430 18.408 19.805 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.143 18.581 17.187 1.00 0.00 C ATOM 0 H ILE A 22 9.833 20.779 17.978 1.00 0.00 H new ATOM 0 HA ILE A 22 11.035 20.901 20.670 1.00 0.00 H new ATOM 0 HB ILE A 22 13.024 19.805 19.571 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.110 19.220 17.292 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.274 20.529 17.237 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.036 17.550 19.514 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.428 18.499 20.891 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.409 18.268 19.451 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.135 18.542 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.121 18.917 17.531 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.939 17.588 17.587 1.00 0.00 H new ATOM 368 N ILE A 23 12.950 22.512 19.919 1.00 0.00 N ATOM 369 CA ILE A 23 13.742 23.700 19.624 1.00 0.00 C ATOM 370 C ILE A 23 14.343 23.626 18.225 1.00 0.00 C ATOM 371 O ILE A 23 14.598 24.650 17.591 1.00 0.00 O ATOM 372 CB ILE A 23 14.876 23.889 20.649 1.00 0.00 C ATOM 373 CG1 ILE A 23 14.298 24.085 22.052 1.00 0.00 C ATOM 374 CG2 ILE A 23 15.749 25.073 20.260 1.00 0.00 C ATOM 375 CD1 ILE A 23 15.302 23.848 23.158 1.00 0.00 C ATOM 0 H ILE A 23 13.264 21.988 20.736 1.00 0.00 H new ATOM 0 HA ILE A 23 13.066 24.553 19.681 1.00 0.00 H new ATOM 0 HB ILE A 23 15.495 22.992 20.654 1.00 0.00 H new ATOM 0 HG12 ILE A 23 13.909 25.100 22.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.455 23.408 22.187 1.00 0.00 H new ATOM 0 HG21 ILE A 23 16.546 25.194 20.994 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.185 24.896 19.277 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.142 25.978 20.231 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.823 24.005 24.124 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.674 22.825 23.099 1.00 0.00 H new ATOM 0 HD13 ILE A 23 16.134 24.543 23.049 1.00 0.00 H new ATOM 387 N LYS A 24 14.567 22.406 17.747 1.00 0.00 N ATOM 388 CA LYS A 24 15.135 22.196 16.421 1.00 0.00 C ATOM 389 C LYS A 24 14.048 22.227 15.352 1.00 0.00 C ATOM 390 O LYS A 24 14.318 21.997 14.172 1.00 0.00 O ATOM 391 CB LYS A 24 15.879 20.859 16.369 1.00 0.00 C ATOM 392 CG LYS A 24 17.004 20.749 17.383 1.00 0.00 C ATOM 393 CD LYS A 24 18.006 21.881 17.230 1.00 0.00 C ATOM 394 CE LYS A 24 18.679 21.849 15.866 1.00 0.00 C ATOM 395 NZ LYS A 24 19.967 22.596 15.865 1.00 0.00 N ATOM 0 H LYS A 24 14.363 21.548 18.259 1.00 0.00 H new ATOM 0 HA LYS A 24 15.838 23.005 16.222 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.168 20.050 16.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.288 20.719 15.368 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.589 20.763 18.391 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.513 19.793 17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.500 22.837 17.365 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.762 21.807 18.012 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.859 20.814 15.574 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.010 22.278 15.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.394 22.550 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.792 23.589 16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.616 22.171 16.558 1.00 0.00 H new ATOM 409 N CYS A 25 12.821 22.514 15.771 1.00 0.00 N ATOM 410 CA CYS A 25 11.693 22.576 14.848 1.00 0.00 C ATOM 411 C CYS A 25 11.376 24.019 14.472 1.00 0.00 C ATOM 412 O CYS A 25 11.787 24.954 15.160 1.00 0.00 O ATOM 413 CB CYS A 25 10.461 21.916 15.470 1.00 0.00 C ATOM 414 SG CYS A 25 9.583 20.794 14.356 1.00 0.00 S ATOM 0 H CYS A 25 12.581 22.707 16.743 1.00 0.00 H new ATOM 0 HA CYS A 25 11.967 22.036 13.942 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.768 21.363 16.358 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.773 22.694 15.801 1.00 0.00 H new ATOM 0 HG CYS A 25 9.762 19.567 14.746 1.00 0.00 H new ATOM 420 N GLN A 26 10.645 24.194 13.376 1.00 0.00 N ATOM 421 CA GLN A 26 10.275 25.524 12.908 1.00 0.00 C ATOM 422 C GLN A 26 8.816 25.560 12.466 1.00 0.00 C ATOM 423 O GLN A 26 8.378 24.728 11.670 1.00 0.00 O ATOM 424 CB GLN A 26 11.182 25.951 11.753 1.00 0.00 C ATOM 425 CG GLN A 26 12.664 25.805 12.056 1.00 0.00 C ATOM 426 CD GLN A 26 13.528 25.931 10.817 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.449 25.141 10.605 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.236 26.928 9.990 1.00 0.00 N ATOM 0 H GLN A 26 10.297 23.431 12.795 1.00 0.00 H new ATOM 0 HA GLN A 26 10.401 26.221 13.736 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.940 25.356 10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.972 26.991 11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.960 26.565 12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.842 24.836 12.521 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.464 27.559 10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.784 27.063 9.140 1.00 0.00 H new ATOM 437 N CYS A 27 8.069 26.528 12.986 1.00 0.00 N ATOM 438 CA CYS A 27 6.658 26.671 12.646 1.00 0.00 C ATOM 439 C CYS A 27 6.348 28.098 12.204 1.00 0.00 C ATOM 440 O CYS A 27 7.194 28.986 12.303 1.00 0.00 O ATOM 441 CB CYS A 27 5.782 26.293 13.841 1.00 0.00 C ATOM 442 SG CYS A 27 6.193 27.174 15.365 1.00 0.00 S ATOM 0 H CYS A 27 8.417 27.225 13.644 1.00 0.00 H new ATOM 0 HA CYS A 27 6.439 25.997 11.818 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.740 26.489 13.590 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.871 25.221 14.018 1.00 0.00 H new ATOM 0 HG CYS A 27 5.397 26.788 16.317 1.00 0.00 H new ATOM 448 N TRP A 28 5.131 28.308 11.715 1.00 0.00 N ATOM 449 CA TRP A 28 4.710 29.627 11.256 1.00 0.00 C ATOM 450 C TRP A 28 3.892 30.340 12.326 1.00 0.00 C ATOM 451 O TRP A 28 3.076 29.723 13.012 1.00 0.00 O ATOM 452 CB TRP A 28 3.893 29.505 9.969 1.00 0.00 C ATOM 453 CG TRP A 28 4.724 29.175 8.766 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.152 27.937 8.379 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.230 30.098 7.795 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.893 28.034 7.226 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.955 29.349 6.847 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.140 31.483 7.633 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.585 29.941 5.756 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.766 32.069 6.550 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.480 31.299 5.622 1.00 0.00 C ATOM 0 H TRP A 28 4.419 27.583 11.626 1.00 0.00 H new ATOM 0 HA TRP A 28 5.604 30.217 11.056 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.135 28.733 10.100 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.366 30.443 9.792 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.939 27.017 8.903 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.326 27.254 6.732 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.591 32.085 8.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.137 29.350 5.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.704 33.139 6.416 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.957 31.787 4.785 1.00 0.00 H new ATOM 472 N VAL A 29 4.114 31.644 12.465 1.00 0.00 N ATOM 473 CA VAL A 29 3.396 32.441 13.452 1.00 0.00 C ATOM 474 C VAL A 29 2.598 33.555 12.783 1.00 0.00 C ATOM 475 O VAL A 29 3.030 34.125 11.782 1.00 0.00 O ATOM 476 CB VAL A 29 4.359 33.062 14.481 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.592 33.897 15.494 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.168 31.976 15.175 1.00 0.00 C ATOM 0 H VAL A 29 4.786 32.170 11.906 1.00 0.00 H new ATOM 0 HA VAL A 29 2.712 31.766 13.967 1.00 0.00 H new ATOM 0 HB VAL A 29 5.051 33.719 13.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.289 34.328 16.213 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.062 34.698 14.979 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.875 33.265 16.018 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.843 32.432 15.899 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.493 31.292 15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.748 31.425 14.435 1.00 0.00 H new ATOM 488 N GLN A 30 1.432 33.858 13.343 1.00 0.00 N ATOM 489 CA GLN A 30 0.573 34.904 12.801 1.00 0.00 C ATOM 490 C GLN A 30 1.034 36.282 13.264 1.00 0.00 C ATOM 491 O GLN A 30 1.072 36.566 14.461 1.00 0.00 O ATOM 492 CB GLN A 30 -0.879 34.671 13.222 1.00 0.00 C ATOM 493 CG GLN A 30 -1.828 35.767 12.766 1.00 0.00 C ATOM 494 CD GLN A 30 -3.278 35.449 13.074 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.777 35.758 14.156 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.964 34.829 12.121 1.00 0.00 N ATOM 0 H GLN A 30 1.060 33.394 14.172 1.00 0.00 H new ATOM 0 HA GLN A 30 0.639 34.865 11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.217 33.717 12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.925 34.591 14.308 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.555 36.704 13.251 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.713 35.918 11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.511 34.591 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.944 34.590 12.271 1.00 0.00 H new ATOM 505 N LYS A 31 1.384 37.136 12.308 1.00 0.00 N ATOM 506 CA LYS A 31 1.843 38.485 12.616 1.00 0.00 C ATOM 507 C LYS A 31 1.325 39.484 11.586 1.00 0.00 C ATOM 508 O LYS A 31 1.459 39.274 10.382 1.00 0.00 O ATOM 509 CB LYS A 31 3.372 38.529 12.661 1.00 0.00 C ATOM 510 CG LYS A 31 3.945 38.355 14.057 1.00 0.00 C ATOM 511 CD LYS A 31 3.530 39.493 14.975 1.00 0.00 C ATOM 512 CE LYS A 31 4.575 39.750 16.050 1.00 0.00 C ATOM 513 NZ LYS A 31 4.353 38.901 17.253 1.00 0.00 N ATOM 0 H LYS A 31 1.358 36.917 11.312 1.00 0.00 H new ATOM 0 HA LYS A 31 1.449 38.761 13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.769 37.746 12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.712 39.481 12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.606 37.407 14.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.033 38.309 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.379 40.399 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.575 39.254 15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.568 39.554 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.550 40.801 16.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.249 38.787 17.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.653 39.355 17.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.002 37.967 16.959 1.00 0.00 H new ATOM 527 N ASN A 32 0.735 40.573 12.070 1.00 0.00 N ATOM 528 CA ASN A 32 0.198 41.605 11.190 1.00 0.00 C ATOM 529 C ASN A 32 -0.731 40.999 10.143 1.00 0.00 C ATOM 530 O ASN A 32 -0.577 41.243 8.946 1.00 0.00 O ATOM 531 CB ASN A 32 1.337 42.361 10.502 1.00 0.00 C ATOM 532 CG ASN A 32 2.413 42.798 11.477 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.150 43.555 12.412 1.00 0.00 O ATOM 534 ND2 ASN A 32 3.634 42.321 11.263 1.00 0.00 N ATOM 0 H ASN A 32 0.617 40.763 13.065 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.377 42.303 11.799 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.781 41.725 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.933 43.237 9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.399 42.579 11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.807 41.696 10.475 1.00 0.00 H new ATOM 541 N ASP A 33 -1.694 40.208 10.602 1.00 0.00 N ATOM 542 CA ASP A 33 -2.649 39.567 9.705 1.00 0.00 C ATOM 543 C ASP A 33 -1.928 38.787 8.610 1.00 0.00 C ATOM 544 O ASP A 33 -2.453 38.614 7.511 1.00 0.00 O ATOM 545 CB ASP A 33 -3.574 40.612 9.079 1.00 0.00 C ATOM 546 CG ASP A 33 -4.908 40.028 8.659 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.489 39.249 9.444 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.373 40.350 7.546 1.00 0.00 O ATOM 0 H ASP A 33 -1.834 39.995 11.590 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.246 38.868 10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.742 41.418 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.084 41.053 8.211 1.00 0.00 H new ATOM 553 N GLU A 34 -0.723 38.320 8.919 1.00 0.00 N ATOM 554 CA GLU A 34 0.071 37.560 7.960 1.00 0.00 C ATOM 555 C GLU A 34 0.757 36.377 8.637 1.00 0.00 C ATOM 556 O GLU A 34 0.627 36.181 9.845 1.00 0.00 O ATOM 557 CB GLU A 34 1.117 38.462 7.302 1.00 0.00 C ATOM 558 CG GLU A 34 0.611 39.175 6.059 1.00 0.00 C ATOM 559 CD GLU A 34 0.474 38.246 4.869 1.00 0.00 C ATOM 560 OE1 GLU A 34 1.223 37.248 4.807 1.00 0.00 O ATOM 561 OE2 GLU A 34 -0.381 38.516 4.001 1.00 0.00 O ATOM 0 H GLU A 34 -0.275 38.454 9.825 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.602 37.177 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.451 39.205 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.987 37.862 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.356 39.629 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.295 39.985 5.806 1.00 0.00 H new ATOM 568 N GLU A 35 1.485 35.593 7.849 1.00 0.00 N ATOM 569 CA GLU A 35 2.190 34.428 8.372 1.00 0.00 C ATOM 570 C GLU A 35 3.690 34.541 8.118 1.00 0.00 C ATOM 571 O GLU A 35 4.126 34.719 6.981 1.00 0.00 O ATOM 572 CB GLU A 35 1.648 33.148 7.735 1.00 0.00 C ATOM 573 CG GLU A 35 0.217 32.828 8.133 1.00 0.00 C ATOM 574 CD GLU A 35 -0.795 33.713 7.432 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.614 33.982 6.226 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.769 34.135 8.090 1.00 0.00 O ATOM 0 H GLU A 35 1.602 35.743 6.847 1.00 0.00 H new ATOM 0 HA GLU A 35 2.024 34.387 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.702 33.241 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.290 32.313 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.004 31.785 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.109 32.943 9.212 1.00 0.00 H new ATOM 583 N ARG A 36 4.475 34.436 9.186 1.00 0.00 N ATOM 584 CA ARG A 36 5.926 34.528 9.079 1.00 0.00 C ATOM 585 C ARG A 36 6.595 33.305 9.700 1.00 0.00 C ATOM 586 O ARG A 36 6.227 32.870 10.792 1.00 0.00 O ATOM 587 CB ARG A 36 6.430 35.800 9.764 1.00 0.00 C ATOM 588 CG ARG A 36 5.680 37.054 9.345 1.00 0.00 C ATOM 589 CD ARG A 36 6.624 38.109 8.791 1.00 0.00 C ATOM 590 NE ARG A 36 6.695 38.068 7.333 1.00 0.00 N ATOM 591 CZ ARG A 36 5.781 38.611 6.537 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.732 39.234 7.056 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.915 38.533 5.219 1.00 0.00 N ATOM 0 H ARG A 36 4.130 34.287 10.134 1.00 0.00 H new ATOM 0 HA ARG A 36 6.185 34.566 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.345 35.679 10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.489 35.928 9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.935 36.799 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.141 37.460 10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.291 39.097 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.620 37.958 9.207 1.00 0.00 H new ATOM 0 HE ARG A 36 7.490 37.596 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.626 39.297 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.031 39.650 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.721 38.055 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.212 38.951 4.609 1.00 0.00 H new ATOM 607 N LEU A 37 7.578 32.754 8.997 1.00 0.00 N ATOM 608 CA LEU A 37 8.299 31.581 9.478 1.00 0.00 C ATOM 609 C LEU A 37 9.071 31.901 10.753 1.00 0.00 C ATOM 610 O LEU A 37 9.806 32.886 10.815 1.00 0.00 O ATOM 611 CB LEU A 37 9.259 31.071 8.401 1.00 0.00 C ATOM 612 CG LEU A 37 9.839 29.674 8.627 1.00 0.00 C ATOM 613 CD1 LEU A 37 9.009 28.628 7.899 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.290 29.619 8.169 1.00 0.00 C ATOM 0 H LEU A 37 7.894 33.101 8.091 1.00 0.00 H new ATOM 0 HA LEU A 37 7.569 30.804 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.736 31.075 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.086 31.776 8.315 1.00 0.00 H new ATOM 0 HG LEU A 37 9.807 29.456 9.694 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.436 27.640 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.985 28.651 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.009 28.842 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.687 28.618 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.346 29.858 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.878 30.342 8.735 1.00 0.00 H new ATOM 626 N ALA A 38 8.901 31.060 11.769 1.00 0.00 N ATOM 627 CA ALA A 38 9.585 31.252 13.042 1.00 0.00 C ATOM 628 C ALA A 38 10.172 29.940 13.552 1.00 0.00 C ATOM 629 O ALA A 38 9.508 28.904 13.534 1.00 0.00 O ATOM 630 CB ALA A 38 8.631 31.840 14.070 1.00 0.00 C ATOM 0 H ALA A 38 8.296 30.240 11.735 1.00 0.00 H new ATOM 0 HA ALA A 38 10.406 31.951 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.155 31.978 15.016 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.262 32.803 13.716 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.791 31.161 14.217 1.00 0.00 H new ATOM 636 N GLU A 39 11.421 29.992 14.004 1.00 0.00 N ATOM 637 CA GLU A 39 12.097 28.807 14.518 1.00 0.00 C ATOM 638 C GLU A 39 12.068 28.781 16.043 1.00 0.00 C ATOM 639 O GLU A 39 12.222 29.815 16.694 1.00 0.00 O ATOM 640 CB GLU A 39 13.544 28.763 14.023 1.00 0.00 C ATOM 641 CG GLU A 39 14.386 27.692 14.696 1.00 0.00 C ATOM 642 CD GLU A 39 15.810 27.656 14.176 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.113 28.409 13.227 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.620 26.876 14.717 1.00 0.00 O ATOM 0 H GLU A 39 11.985 30.842 14.025 1.00 0.00 H new ATOM 0 HA GLU A 39 11.567 27.929 14.148 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.546 28.591 12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.006 29.736 14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.400 27.869 15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.921 26.718 14.540 1.00 0.00 H new ATOM 651 N ILE A 40 11.870 27.594 16.606 1.00 0.00 N ATOM 652 CA ILE A 40 11.821 27.434 18.054 1.00 0.00 C ATOM 653 C ILE A 40 13.207 27.590 18.671 1.00 0.00 C ATOM 654 O ILE A 40 14.206 27.147 18.102 1.00 0.00 O ATOM 655 CB ILE A 40 11.247 26.060 18.449 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.961 25.778 17.670 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.989 26.006 19.947 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.836 26.737 17.993 1.00 0.00 C ATOM 0 H ILE A 40 11.741 26.729 16.081 1.00 0.00 H new ATOM 0 HA ILE A 40 11.165 28.216 18.437 1.00 0.00 H new ATOM 0 HB ILE A 40 11.977 25.291 18.198 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.174 25.827 16.602 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.633 24.761 17.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.584 25.029 20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.924 26.168 20.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.274 26.782 20.221 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.956 26.477 17.404 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.595 26.671 19.054 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.145 27.754 17.754 1.00 0.00 H new ATOM 670 N LEU A 41 13.260 28.220 19.839 1.00 0.00 N ATOM 671 CA LEU A 41 14.524 28.434 20.536 1.00 0.00 C ATOM 672 C LEU A 41 14.493 27.803 21.924 1.00 0.00 C ATOM 673 O LEU A 41 15.509 27.310 22.416 1.00 0.00 O ATOM 674 CB LEU A 41 14.820 29.930 20.650 1.00 0.00 C ATOM 675 CG LEU A 41 15.215 30.637 19.353 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.527 32.102 19.617 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.408 29.943 18.710 1.00 0.00 C ATOM 0 H LEU A 41 12.443 28.592 20.324 1.00 0.00 H new ATOM 0 HA LEU A 41 15.315 27.957 19.957 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.937 30.425 21.056 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.623 30.067 21.374 1.00 0.00 H new ATOM 0 HG LEU A 41 14.373 30.585 18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.806 32.589 18.682 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.647 32.592 20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.352 32.176 20.325 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.676 30.459 17.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.254 29.964 19.396 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.149 28.908 18.485 1.00 0.00 H new ATOM 689 N SER A 42 13.321 27.819 22.550 1.00 0.00 N ATOM 690 CA SER A 42 13.158 27.249 23.883 1.00 0.00 C ATOM 691 C SER A 42 11.689 26.953 24.171 1.00 0.00 C ATOM 692 O SER A 42 10.795 27.582 23.604 1.00 0.00 O ATOM 693 CB SER A 42 13.714 28.205 24.940 1.00 0.00 C ATOM 694 OG SER A 42 14.095 27.503 26.111 1.00 0.00 O ATOM 0 H SER A 42 12.470 28.220 22.156 1.00 0.00 H new ATOM 0 HA SER A 42 13.714 26.312 23.922 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.574 28.739 24.536 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.962 28.954 25.189 1.00 0.00 H new ATOM 0 HG SER A 42 14.449 28.135 26.771 1.00 0.00 H new ATOM 700 N ILE A 43 11.449 25.991 25.056 1.00 0.00 N ATOM 701 CA ILE A 43 10.090 25.612 25.420 1.00 0.00 C ATOM 702 C ILE A 43 9.855 25.780 26.918 1.00 0.00 C ATOM 703 O ILE A 43 10.628 25.284 27.737 1.00 0.00 O ATOM 704 CB ILE A 43 9.787 24.155 25.025 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.978 23.962 23.519 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.372 23.777 25.437 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.039 22.510 23.099 1.00 0.00 C ATOM 0 H ILE A 43 12.178 25.461 25.534 1.00 0.00 H new ATOM 0 HA ILE A 43 9.420 26.275 24.873 1.00 0.00 H new ATOM 0 HB ILE A 43 10.484 23.500 25.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.159 24.450 22.991 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.897 24.460 23.211 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.173 22.744 25.151 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.268 23.881 26.517 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.660 24.435 24.939 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.175 22.449 22.019 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.876 22.022 23.599 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.110 22.012 23.376 1.00 0.00 H new ATOM 719 N ASN A 44 8.782 26.481 27.268 1.00 0.00 N ATOM 720 CA ASN A 44 8.444 26.714 28.668 1.00 0.00 C ATOM 721 C ASN A 44 7.052 26.177 28.988 1.00 0.00 C ATOM 722 O ASN A 44 6.043 26.800 28.656 1.00 0.00 O ATOM 723 CB ASN A 44 8.514 28.208 28.990 1.00 0.00 C ATOM 724 CG ASN A 44 8.132 28.508 30.426 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.481 27.763 31.342 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.411 29.605 30.629 1.00 0.00 N ATOM 0 H ASN A 44 8.131 26.898 26.602 1.00 0.00 H new ATOM 0 HA ASN A 44 9.169 26.183 29.284 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.525 28.570 28.802 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.850 28.753 28.319 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.124 29.859 31.574 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.144 30.193 29.840 1.00 0.00 H new ATOM 733 N THR A 45 7.005 25.018 29.636 1.00 0.00 N ATOM 734 CA THR A 45 5.738 24.397 30.001 1.00 0.00 C ATOM 735 C THR A 45 5.397 24.660 31.463 1.00 0.00 C ATOM 736 O THR A 45 5.342 23.736 32.274 1.00 0.00 O ATOM 737 CB THR A 45 5.767 22.876 29.759 1.00 0.00 C ATOM 738 OG1 THR A 45 6.846 22.284 30.491 1.00 0.00 O ATOM 739 CG2 THR A 45 5.924 22.567 28.277 1.00 0.00 C ATOM 0 H THR A 45 7.830 24.490 29.919 1.00 0.00 H new ATOM 0 HA THR A 45 4.973 24.844 29.366 1.00 0.00 H new ATOM 0 HB THR A 45 4.821 22.457 30.104 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.712 22.435 31.450 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.942 21.487 28.130 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.086 22.994 27.726 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.856 22.998 27.912 1.00 0.00 H new ATOM 747 N ARG A 46 5.169 25.927 31.793 1.00 0.00 N ATOM 748 CA ARG A 46 4.833 26.312 33.159 1.00 0.00 C ATOM 749 C ARG A 46 3.462 26.978 33.215 1.00 0.00 C ATOM 750 O ARG A 46 3.079 27.551 34.235 1.00 0.00 O ATOM 751 CB ARG A 46 5.896 27.260 33.720 1.00 0.00 C ATOM 752 CG ARG A 46 7.085 26.544 34.339 1.00 0.00 C ATOM 753 CD ARG A 46 6.824 26.187 35.794 1.00 0.00 C ATOM 754 NE ARG A 46 6.119 24.915 35.928 1.00 0.00 N ATOM 755 CZ ARG A 46 5.590 24.485 37.068 1.00 0.00 C ATOM 756 NH1 ARG A 46 5.685 25.221 38.167 1.00 0.00 N ATOM 757 NH2 ARG A 46 4.964 23.316 37.111 1.00 0.00 N ATOM 0 H ARG A 46 5.211 26.704 31.134 1.00 0.00 H new ATOM 0 HA ARG A 46 4.803 25.408 33.768 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.250 27.909 32.920 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.438 27.902 34.472 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.300 25.637 33.774 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.969 27.179 34.272 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.772 26.134 36.330 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.237 26.978 36.261 1.00 0.00 H new ATOM 0 HE ARG A 46 6.028 24.325 35.101 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.165 26.120 38.139 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.278 24.888 39.041 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.889 22.747 36.268 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.558 22.987 37.987 1.00 0.00 H new ATOM 771 N LYS A 47 2.726 26.899 32.111 1.00 0.00 N ATOM 772 CA LYS A 47 1.397 27.493 32.033 1.00 0.00 C ATOM 773 C LYS A 47 0.439 26.584 31.270 1.00 0.00 C ATOM 774 O LYS A 47 0.835 25.535 30.763 1.00 0.00 O ATOM 775 CB LYS A 47 1.466 28.863 31.354 1.00 0.00 C ATOM 776 CG LYS A 47 1.163 30.021 32.289 1.00 0.00 C ATOM 777 CD LYS A 47 0.430 31.141 31.569 1.00 0.00 C ATOM 778 CE LYS A 47 1.266 32.411 31.518 1.00 0.00 C ATOM 779 NZ LYS A 47 0.689 33.418 30.585 1.00 0.00 N ATOM 0 H LYS A 47 3.028 26.429 31.258 1.00 0.00 H new ATOM 0 HA LYS A 47 1.022 27.617 33.049 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.461 29.000 30.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.761 28.883 30.523 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.559 29.667 33.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.093 30.404 32.709 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.185 30.824 30.555 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.513 31.345 32.076 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.336 32.840 32.518 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.281 32.165 31.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.314 34.248 30.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.598 33.001 29.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.249 33.710 30.926 1.00 0.00 H new ATOM 793 N ALA A 48 -0.823 26.994 31.191 1.00 0.00 N ATOM 794 CA ALA A 48 -1.836 26.218 30.487 1.00 0.00 C ATOM 795 C ALA A 48 -2.776 27.127 29.702 1.00 0.00 C ATOM 796 O ALA A 48 -3.657 27.780 30.260 1.00 0.00 O ATOM 797 CB ALA A 48 -2.623 25.363 31.468 1.00 0.00 C ATOM 0 H ALA A 48 -1.168 27.859 31.606 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.329 25.564 29.778 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.376 24.789 30.928 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.945 24.680 31.981 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.113 26.006 32.200 1.00 0.00 H new ATOM 803 N PRO A 49 -2.585 27.172 28.375 1.00 0.00 N ATOM 804 CA PRO A 49 -1.539 26.400 27.699 1.00 0.00 C ATOM 805 C PRO A 49 -0.140 26.917 28.016 1.00 0.00 C ATOM 806 O PRO A 49 0.038 28.018 28.537 1.00 0.00 O ATOM 807 CB PRO A 49 -1.857 26.595 26.214 1.00 0.00 C ATOM 808 CG PRO A 49 -2.594 27.888 26.151 1.00 0.00 C ATOM 809 CD PRO A 49 -3.376 27.982 27.432 1.00 0.00 C ATOM 0 HA PRO A 49 -1.535 25.357 28.015 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.947 26.629 25.615 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.462 25.775 25.828 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.904 28.726 26.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.257 27.918 25.286 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.471 29.014 27.770 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.387 27.591 27.316 1.00 0.00 H new ATOM 817 N PRO A 50 0.879 26.105 27.695 1.00 0.00 N ATOM 818 CA PRO A 50 2.280 26.461 27.936 1.00 0.00 C ATOM 819 C PRO A 50 2.759 27.584 27.023 1.00 0.00 C ATOM 820 O PRO A 50 1.991 28.116 26.220 1.00 0.00 O ATOM 821 CB PRO A 50 3.033 25.164 27.628 1.00 0.00 C ATOM 822 CG PRO A 50 2.150 24.429 26.679 1.00 0.00 C ATOM 823 CD PRO A 50 0.741 24.779 27.071 1.00 0.00 C ATOM 0 HA PRO A 50 2.437 26.832 28.949 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.008 25.368 27.185 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.210 24.584 28.534 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.353 24.723 25.649 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.317 23.354 26.743 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.079 24.809 26.206 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.324 24.050 27.766 1.00 0.00 H new ATOM 831 N LYS A 51 4.032 27.942 27.150 1.00 0.00 N ATOM 832 CA LYS A 51 4.615 29.001 26.335 1.00 0.00 C ATOM 833 C LYS A 51 5.810 28.483 25.541 1.00 0.00 C ATOM 834 O LYS A 51 6.516 27.576 25.984 1.00 0.00 O ATOM 835 CB LYS A 51 5.047 30.174 27.219 1.00 0.00 C ATOM 836 CG LYS A 51 3.912 31.120 27.571 1.00 0.00 C ATOM 837 CD LYS A 51 4.432 32.409 28.185 1.00 0.00 C ATOM 838 CE LYS A 51 3.341 33.467 28.266 1.00 0.00 C ATOM 839 NZ LYS A 51 3.904 34.828 28.489 1.00 0.00 N ATOM 0 H LYS A 51 4.681 27.514 27.811 1.00 0.00 H new ATOM 0 HA LYS A 51 3.855 29.343 25.632 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.482 29.784 28.139 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.830 30.734 26.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.336 31.349 26.674 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.233 30.631 28.269 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.820 32.207 29.184 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.264 32.787 27.590 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.760 33.461 27.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.655 33.220 29.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.129 35.520 28.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.437 34.841 29.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.539 35.074 27.703 1.00 0.00 H new ATOM 853 N PHE A 52 6.031 29.064 24.367 1.00 0.00 N ATOM 854 CA PHE A 52 7.141 28.660 23.511 1.00 0.00 C ATOM 855 C PHE A 52 7.920 29.877 23.021 1.00 0.00 C ATOM 856 O PHE A 52 7.350 30.947 22.805 1.00 0.00 O ATOM 857 CB PHE A 52 6.626 27.855 22.317 1.00 0.00 C ATOM 858 CG PHE A 52 5.852 26.629 22.709 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.534 26.730 23.125 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.442 25.377 22.662 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.820 25.603 23.487 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.733 24.246 23.023 1.00 0.00 C ATOM 863 CZ PHE A 52 4.419 24.360 23.435 1.00 0.00 C ATOM 0 H PHE A 52 5.457 29.816 23.986 1.00 0.00 H new ATOM 0 HA PHE A 52 7.812 28.034 24.099 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.991 28.495 21.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.472 27.558 21.697 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.060 27.699 23.167 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.468 25.283 22.339 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.794 25.695 23.810 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.205 23.276 22.983 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.862 23.479 23.716 1.00 0.00 H new ATOM 873 N TYR A 53 9.226 29.706 22.848 1.00 0.00 N ATOM 874 CA TYR A 53 10.085 30.790 22.386 1.00 0.00 C ATOM 875 C TYR A 53 10.367 30.663 20.892 1.00 0.00 C ATOM 876 O TYR A 53 11.067 29.749 20.457 1.00 0.00 O ATOM 877 CB TYR A 53 11.400 30.795 23.167 1.00 0.00 C ATOM 878 CG TYR A 53 12.029 32.165 23.286 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.277 33.263 23.684 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.374 32.361 22.999 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.846 34.517 23.794 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.952 33.611 23.108 1.00 0.00 C ATOM 883 CZ TYR A 53 13.184 34.686 23.505 1.00 0.00 C ATOM 884 OH TYR A 53 13.757 35.932 23.613 1.00 0.00 O ATOM 0 H TYR A 53 9.713 28.827 23.021 1.00 0.00 H new ATOM 0 HA TYR A 53 9.564 31.732 22.560 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.221 30.399 24.166 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.105 30.122 22.679 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.229 33.134 23.911 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.978 31.522 22.685 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.247 35.360 24.104 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.000 33.746 22.884 1.00 0.00 H new ATOM 0 HH TYR A 53 14.481 36.017 22.958 1.00 0.00 H new ATOM 894 N VAL A 54 9.816 31.587 20.112 1.00 0.00 N ATOM 895 CA VAL A 54 10.009 31.581 18.667 1.00 0.00 C ATOM 896 C VAL A 54 10.937 32.709 18.231 1.00 0.00 C ATOM 897 O VAL A 54 11.084 33.712 18.931 1.00 0.00 O ATOM 898 CB VAL A 54 8.668 31.717 17.921 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.853 30.440 18.050 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.887 32.913 18.444 1.00 0.00 C ATOM 0 H VAL A 54 9.232 32.349 20.456 1.00 0.00 H new ATOM 0 HA VAL A 54 10.463 30.623 18.413 1.00 0.00 H new ATOM 0 HB VAL A 54 8.875 31.881 16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.909 30.555 17.517 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.412 29.607 17.623 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.653 30.241 19.103 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.942 32.994 17.906 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.689 32.781 19.508 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.470 33.822 18.294 1.00 0.00 H new ATOM 910 N HIS A 55 11.562 32.539 17.070 1.00 0.00 N ATOM 911 CA HIS A 55 12.476 33.545 16.540 1.00 0.00 C ATOM 912 C HIS A 55 12.300 33.698 15.032 1.00 0.00 C ATOM 913 O HIS A 55 12.495 32.746 14.275 1.00 0.00 O ATOM 914 CB HIS A 55 13.923 33.169 16.860 1.00 0.00 C ATOM 915 CG HIS A 55 14.928 33.854 15.986 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.881 35.202 15.700 1.00 0.00 N ATOM 917 CD2 HIS A 55 16.011 33.370 15.335 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.892 35.517 14.909 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.593 34.423 14.674 1.00 0.00 N ATOM 0 H HIS A 55 11.452 31.715 16.479 1.00 0.00 H new ATOM 0 HA HIS A 55 12.243 34.498 17.014 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.132 33.415 17.901 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.040 32.090 16.758 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.354 32.346 15.335 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.108 36.501 14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.431 34.369 14.095 1.00 0.00 H new ATOM 927 N TYR A 56 11.930 34.899 14.603 1.00 0.00 N ATOM 928 CA TYR A 56 11.725 35.176 13.187 1.00 0.00 C ATOM 929 C TYR A 56 13.049 35.148 12.429 1.00 0.00 C ATOM 930 O TYR A 56 13.893 36.028 12.599 1.00 0.00 O ATOM 931 CB TYR A 56 11.048 36.535 13.004 1.00 0.00 C ATOM 932 CG TYR A 56 9.697 36.634 13.676 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.584 37.074 14.989 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.534 36.286 12.999 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.352 37.165 15.608 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.299 36.376 13.610 1.00 0.00 C ATOM 937 CZ TYR A 56 7.212 36.816 14.914 1.00 0.00 C ATOM 938 OH TYR A 56 5.983 36.905 15.526 1.00 0.00 O ATOM 0 H TYR A 56 11.766 35.697 15.217 1.00 0.00 H new ATOM 0 HA TYR A 56 11.078 34.398 12.781 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.700 37.313 13.402 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.930 36.732 11.939 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.474 37.350 15.535 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.597 35.939 11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.282 37.508 16.630 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.405 36.103 13.069 1.00 0.00 H new ATOM 0 HH TYR A 56 6.105 36.993 16.494 1.00 0.00 H new ATOM 948 N VAL A 57 13.222 34.132 11.590 1.00 0.00 N ATOM 949 CA VAL A 57 14.441 33.989 10.803 1.00 0.00 C ATOM 950 C VAL A 57 14.638 35.180 9.873 1.00 0.00 C ATOM 951 O VAL A 57 15.736 35.724 9.768 1.00 0.00 O ATOM 952 CB VAL A 57 14.421 32.696 9.967 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.756 32.492 9.266 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.082 31.500 10.843 1.00 0.00 C ATOM 0 H VAL A 57 12.533 33.395 11.438 1.00 0.00 H new ATOM 0 HA VAL A 57 15.270 33.943 11.509 1.00 0.00 H new ATOM 0 HB VAL A 57 13.648 32.790 9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.723 31.573 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.953 33.337 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.550 32.420 10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.072 30.595 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.830 31.401 11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.100 31.645 11.293 1.00 0.00 H new ATOM 964 N ASN A 58 13.564 35.581 9.199 1.00 0.00 N ATOM 965 CA ASN A 58 13.619 36.710 8.277 1.00 0.00 C ATOM 966 C ASN A 58 14.057 37.981 8.997 1.00 0.00 C ATOM 967 O ASN A 58 14.575 38.911 8.378 1.00 0.00 O ATOM 968 CB ASN A 58 12.253 36.926 7.622 1.00 0.00 C ATOM 969 CG ASN A 58 11.862 35.781 6.708 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.923 35.037 6.992 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.583 35.635 5.602 1.00 0.00 N ATOM 0 H ASN A 58 12.647 35.141 9.274 1.00 0.00 H new ATOM 0 HA ASN A 58 14.353 36.481 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.496 37.043 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.270 37.854 7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.367 34.883 4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.353 36.275 5.407 1.00 0.00 H new ATOM 978 N TYR A 59 13.846 38.014 10.308 1.00 0.00 N ATOM 979 CA TYR A 59 14.217 39.171 11.114 1.00 0.00 C ATOM 980 C TYR A 59 15.432 38.863 11.983 1.00 0.00 C ATOM 981 O TYR A 59 16.038 37.798 11.868 1.00 0.00 O ATOM 982 CB TYR A 59 13.043 39.605 11.993 1.00 0.00 C ATOM 983 CG TYR A 59 11.814 40.005 11.208 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.921 40.773 10.055 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.546 39.614 11.620 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.801 41.141 9.336 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.420 39.977 10.906 1.00 0.00 C ATOM 988 CZ TYR A 59 9.553 40.740 9.765 1.00 0.00 C ATOM 989 OH TYR A 59 8.434 41.104 9.050 1.00 0.00 O ATOM 0 H TYR A 59 13.420 37.252 10.836 1.00 0.00 H new ATOM 0 HA TYR A 59 14.475 39.985 10.437 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.783 38.789 12.667 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.356 40.444 12.614 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.897 41.087 9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.439 39.016 12.513 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.902 41.740 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.441 39.665 11.240 1.00 0.00 H new ATOM 0 HH TYR A 59 7.635 40.740 9.485 1.00 0.00 H new ATOM 999 N ASN A 60 15.781 39.803 12.855 1.00 0.00 N ATOM 1000 CA ASN A 60 16.924 39.633 13.746 1.00 0.00 C ATOM 1001 C ASN A 60 16.514 38.910 15.025 1.00 0.00 C ATOM 1002 O ASN A 60 15.330 38.664 15.260 1.00 0.00 O ATOM 1003 CB ASN A 60 17.536 40.993 14.089 1.00 0.00 C ATOM 1004 CG ASN A 60 18.290 41.599 12.922 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.520 41.667 12.931 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.555 42.043 11.909 1.00 0.00 N ATOM 0 H ASN A 60 15.289 40.690 12.964 1.00 0.00 H new ATOM 0 HA ASN A 60 17.668 39.027 13.230 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.746 41.676 14.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.213 40.880 14.936 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.007 42.461 11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.539 41.966 11.944 1.00 0.00 H new ATOM 1013 N LYS A 61 17.500 38.571 15.849 1.00 0.00 N ATOM 1014 CA LYS A 61 17.243 37.878 17.105 1.00 0.00 C ATOM 1015 C LYS A 61 16.503 38.783 18.085 1.00 0.00 C ATOM 1016 O LYS A 61 16.002 38.324 19.111 1.00 0.00 O ATOM 1017 CB LYS A 61 18.558 37.403 17.727 1.00 0.00 C ATOM 1018 CG LYS A 61 19.524 38.532 18.044 1.00 0.00 C ATOM 1019 CD LYS A 61 20.799 38.421 17.226 1.00 0.00 C ATOM 1020 CE LYS A 61 21.860 37.611 17.955 1.00 0.00 C ATOM 1021 NZ LYS A 61 22.946 37.166 17.038 1.00 0.00 N ATOM 0 H LYS A 61 18.485 38.765 15.669 1.00 0.00 H new ATOM 0 HA LYS A 61 16.615 37.013 16.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.340 36.855 18.644 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.041 36.704 17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.044 39.490 17.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.769 38.515 19.106 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.578 37.953 16.267 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.184 39.418 17.013 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.287 38.211 18.759 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.397 36.740 18.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.649 36.617 17.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.543 36.572 16.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.405 37.997 16.614 1.00 0.00 H new ATOM 1035 N ARG A 62 16.436 40.070 17.760 1.00 0.00 N ATOM 1036 CA ARG A 62 15.756 41.038 18.612 1.00 0.00 C ATOM 1037 C ARG A 62 14.247 40.992 18.391 1.00 0.00 C ATOM 1038 O ARG A 62 13.493 41.733 19.023 1.00 0.00 O ATOM 1039 CB ARG A 62 16.280 42.449 18.334 1.00 0.00 C ATOM 1040 CG ARG A 62 15.874 42.993 16.974 1.00 0.00 C ATOM 1041 CD ARG A 62 16.885 44.002 16.454 1.00 0.00 C ATOM 1042 NE ARG A 62 16.989 45.171 17.324 1.00 0.00 N ATOM 1043 CZ ARG A 62 16.108 46.165 17.328 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.063 46.132 16.512 1.00 0.00 N ATOM 1045 NH2 ARG A 62 16.272 47.194 18.149 1.00 0.00 N ATOM 0 H ARG A 62 16.844 40.466 16.913 1.00 0.00 H new ATOM 0 HA ARG A 62 15.961 40.778 19.651 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.914 43.122 19.109 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.368 42.444 18.404 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.781 42.171 16.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.893 43.463 17.047 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.862 43.526 16.369 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.597 44.320 15.452 1.00 0.00 H new ATOM 0 HE ARG A 62 17.782 45.227 17.963 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.935 45.342 15.880 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.388 46.896 16.517 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.075 47.222 18.777 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.595 47.957 18.152 1.00 0.00 H new ATOM 1059 N LEU A 63 13.813 40.117 17.490 1.00 0.00 N ATOM 1060 CA LEU A 63 12.394 39.973 17.185 1.00 0.00 C ATOM 1061 C LEU A 63 11.797 38.777 17.920 1.00 0.00 C ATOM 1062 O LEU A 63 10.599 38.743 18.200 1.00 0.00 O ATOM 1063 CB LEU A 63 12.190 39.814 15.678 1.00 0.00 C ATOM 1064 CG LEU A 63 11.902 41.098 14.900 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.641 41.768 15.424 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.087 42.049 14.983 1.00 0.00 C ATOM 0 H LEU A 63 14.424 39.497 16.958 1.00 0.00 H new ATOM 0 HA LEU A 63 11.882 40.875 17.522 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.083 39.351 15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.365 39.121 15.515 1.00 0.00 H new ATOM 0 HG LEU A 63 11.743 40.838 13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.452 42.680 14.858 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.795 41.090 15.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.771 42.015 16.478 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.864 42.958 14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.278 42.303 16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.969 41.569 14.559 1.00 0.00 H new ATOM 1078 N ASP A 64 12.641 37.799 18.231 1.00 0.00 N ATOM 1079 CA ASP A 64 12.198 36.603 18.936 1.00 0.00 C ATOM 1080 C ASP A 64 11.429 36.971 20.202 1.00 0.00 C ATOM 1081 O ASP A 64 11.582 38.070 20.733 1.00 0.00 O ATOM 1082 CB ASP A 64 13.396 35.721 19.291 1.00 0.00 C ATOM 1083 CG ASP A 64 14.199 36.274 20.452 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.122 37.496 20.697 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.904 35.485 21.116 1.00 0.00 O ATOM 0 H ASP A 64 13.636 37.812 18.006 1.00 0.00 H new ATOM 0 HA ASP A 64 11.531 36.049 18.276 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.045 34.720 19.540 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.043 35.624 18.419 1.00 0.00 H new ATOM 1090 N GLU A 65 10.603 36.044 20.677 1.00 0.00 N ATOM 1091 CA GLU A 65 9.810 36.273 21.879 1.00 0.00 C ATOM 1092 C GLU A 65 9.046 35.013 22.275 1.00 0.00 C ATOM 1093 O GLU A 65 9.205 33.959 21.659 1.00 0.00 O ATOM 1094 CB GLU A 65 8.831 37.428 21.658 1.00 0.00 C ATOM 1095 CG GLU A 65 7.826 37.170 20.548 1.00 0.00 C ATOM 1096 CD GLU A 65 7.171 38.443 20.047 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.781 39.280 20.889 1.00 0.00 O ATOM 1098 OE2 GLU A 65 7.048 38.602 18.815 1.00 0.00 O ATOM 0 H GLU A 65 10.466 35.129 20.248 1.00 0.00 H new ATOM 0 HA GLU A 65 10.491 36.533 22.689 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.293 37.620 22.586 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.395 38.331 21.424 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.327 36.672 19.718 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.057 36.488 20.911 1.00 0.00 H new ATOM 1105 N TRP A 66 8.217 35.130 23.306 1.00 0.00 N ATOM 1106 CA TRP A 66 7.429 34.001 23.785 1.00 0.00 C ATOM 1107 C TRP A 66 5.998 34.075 23.262 1.00 0.00 C ATOM 1108 O TRP A 66 5.302 35.069 23.472 1.00 0.00 O ATOM 1109 CB TRP A 66 7.425 33.967 25.314 1.00 0.00 C ATOM 1110 CG TRP A 66 8.799 33.951 25.911 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.620 35.025 26.108 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.514 32.806 26.387 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.801 34.616 26.678 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.761 33.259 26.860 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.221 31.441 26.462 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.712 32.396 27.397 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.166 30.586 26.995 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.399 31.065 27.458 1.00 0.00 C ATOM 0 H TRP A 66 8.073 35.996 23.826 1.00 0.00 H new ATOM 0 HA TRP A 66 7.886 33.086 23.410 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.884 34.836 25.688 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.881 33.084 25.649 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.376 36.046 25.853 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.581 35.224 26.926 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.273 31.062 26.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.663 32.764 27.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.951 29.529 27.056 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.116 30.371 27.871 1.00 0.00 H new ATOM 1129 N ILE A 67 5.566 33.019 22.582 1.00 0.00 N ATOM 1130 CA ILE A 67 4.218 32.965 22.031 1.00 0.00 C ATOM 1131 C ILE A 67 3.446 31.770 22.581 1.00 0.00 C ATOM 1132 O ILE A 67 4.037 30.780 23.013 1.00 0.00 O ATOM 1133 CB ILE A 67 4.241 32.882 20.493 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.998 31.633 20.039 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.873 34.135 19.905 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.743 31.263 18.594 1.00 0.00 C ATOM 0 H ILE A 67 6.130 32.189 22.399 1.00 0.00 H new ATOM 0 HA ILE A 67 3.718 33.886 22.330 1.00 0.00 H new ATOM 0 HB ILE A 67 3.215 32.812 20.132 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.067 31.794 20.181 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.715 30.795 20.676 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.882 34.062 18.817 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.295 35.009 20.205 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.895 34.233 20.271 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.312 30.368 18.342 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.680 31.070 18.450 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.053 32.084 17.948 1.00 0.00 H new ATOM 1148 N THR A 68 2.121 31.869 22.562 1.00 0.00 N ATOM 1149 CA THR A 68 1.267 30.797 23.058 1.00 0.00 C ATOM 1150 C THR A 68 0.718 29.956 21.912 1.00 0.00 C ATOM 1151 O THR A 68 0.919 30.277 20.740 1.00 0.00 O ATOM 1152 CB THR A 68 0.090 31.352 23.882 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.312 32.626 23.366 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.472 31.491 25.348 1.00 0.00 C ATOM 0 H THR A 68 1.615 32.681 22.208 1.00 0.00 H new ATOM 0 HA THR A 68 1.887 30.171 23.700 1.00 0.00 H new ATOM 0 HB THR A 68 -0.741 30.650 23.805 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.062 32.971 23.894 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.376 31.885 25.909 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.749 30.515 25.746 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.317 32.173 25.441 1.00 0.00 H new ATOM 1162 N THR A 69 0.024 28.875 22.256 1.00 0.00 N ATOM 1163 CA THR A 69 -0.554 27.987 21.255 1.00 0.00 C ATOM 1164 C THR A 69 -1.464 28.752 20.301 1.00 0.00 C ATOM 1165 O THR A 69 -1.465 28.503 19.095 1.00 0.00 O ATOM 1166 CB THR A 69 -1.357 26.849 21.911 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.538 27.375 22.528 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.517 26.122 22.950 1.00 0.00 C ATOM 0 H THR A 69 -0.151 28.594 23.221 1.00 0.00 H new ATOM 0 HA THR A 69 0.277 27.559 20.694 1.00 0.00 H new ATOM 0 HB THR A 69 -1.639 26.139 21.134 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.044 26.645 22.941 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.106 25.323 23.399 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.366 25.698 22.472 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.208 26.824 23.724 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.237 29.684 20.847 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.151 30.487 20.044 1.00 0.00 C ATOM 1178 C ASP A 70 -2.381 31.402 19.096 1.00 0.00 C ATOM 1179 O ASP A 70 -2.954 31.975 18.169 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.062 31.319 20.947 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.365 31.694 20.269 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.696 31.074 19.236 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.054 32.606 20.771 1.00 0.00 O ATOM 0 H ASP A 70 -2.249 29.902 21.843 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.763 29.809 19.449 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.278 30.758 21.856 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.539 32.226 21.249 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.080 31.533 19.335 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.233 32.380 18.504 1.00 0.00 C ATOM 1190 C ARG A 71 0.536 31.545 17.484 1.00 0.00 C ATOM 1191 O ARG A 71 1.322 32.077 16.699 1.00 0.00 O ATOM 1192 CB ARG A 71 0.746 33.169 19.375 1.00 0.00 C ATOM 1193 CG ARG A 71 0.078 34.232 20.232 1.00 0.00 C ATOM 1194 CD ARG A 71 1.036 35.367 20.559 1.00 0.00 C ATOM 1195 NE ARG A 71 0.369 36.462 21.258 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.396 37.364 20.652 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.588 37.301 19.342 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -0.969 38.331 21.357 1.00 0.00 N ATOM 0 H ARG A 71 -0.590 31.064 20.097 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.875 33.078 17.967 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.282 32.476 20.023 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.488 33.645 18.734 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.792 34.628 19.709 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.283 33.782 21.156 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.851 34.987 21.175 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.481 35.743 19.638 1.00 0.00 H new ATOM 0 HE ARG A 71 0.497 36.539 22.267 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.148 36.559 18.797 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.176 37.994 18.879 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.823 38.383 22.365 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.556 39.023 20.891 1.00 0.00 H new ATOM 1212 N ILE A 72 0.305 30.237 17.503 1.00 0.00 N ATOM 1213 CA ILE A 72 0.976 29.330 16.580 1.00 0.00 C ATOM 1214 C ILE A 72 0.067 28.964 15.411 1.00 0.00 C ATOM 1215 O ILE A 72 -1.144 28.826 15.574 1.00 0.00 O ATOM 1216 CB ILE A 72 1.427 28.039 17.288 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.375 28.369 18.443 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.098 27.099 16.298 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.594 27.213 19.394 1.00 0.00 C ATOM 0 H ILE A 72 -0.341 29.782 18.147 1.00 0.00 H new ATOM 0 HA ILE A 72 1.854 29.855 16.204 1.00 0.00 H new ATOM 0 HB ILE A 72 0.548 27.540 17.695 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.337 28.681 18.035 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.975 29.216 19.000 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.411 26.191 16.813 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.395 26.842 15.506 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.970 27.589 15.864 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.276 27.519 20.187 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.641 26.915 19.830 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.023 26.371 18.851 1.00 0.00 H new ATOM 1231 N ASN A 73 0.662 28.807 14.233 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.094 28.456 13.036 1.00 0.00 C ATOM 1233 C ASN A 73 0.020 26.964 12.740 1.00 0.00 C ATOM 1234 O ASN A 73 1.050 26.492 12.258 1.00 0.00 O ATOM 1235 CB ASN A 73 0.406 29.265 11.837 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.681 29.500 10.805 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.797 29.895 11.142 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.358 29.256 9.541 1.00 0.00 N ATOM 0 H ASN A 73 1.665 28.917 14.082 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.143 28.694 13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.788 30.225 12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.239 28.740 11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.048 29.395 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.580 28.930 9.308 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.046 26.226 13.030 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.068 24.787 12.795 1.00 0.00 C ATOM 1247 C LEU A 74 -1.684 24.467 11.437 1.00 0.00 C ATOM 1248 O LEU A 74 -2.137 23.347 11.198 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.851 24.081 13.903 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.060 23.723 15.161 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -0.048 22.628 14.862 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.364 24.955 15.722 1.00 0.00 C ATOM 0 H LEU A 74 -1.907 26.601 13.429 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.039 24.427 12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.686 24.718 14.193 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.276 23.165 13.493 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.757 23.350 15.911 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.506 22.387 15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.569 21.739 14.507 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.645 22.973 14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.194 24.681 16.617 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.321 25.357 14.976 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.108 25.710 15.975 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.696 25.456 10.550 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.254 25.279 9.214 1.00 0.00 C ATOM 1266 C ASP A 75 -1.148 25.037 8.192 1.00 0.00 C ATOM 1267 O ASP A 75 -1.381 24.442 7.139 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.076 26.505 8.815 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.835 26.297 7.519 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -3.193 26.307 6.448 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.071 26.124 7.576 1.00 0.00 O ATOM 0 H ASP A 75 -1.326 26.389 10.732 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.906 24.405 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.781 26.741 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.414 27.365 8.711 1.00 0.00 H new ATOM 1276 N LYS A 76 0.055 25.502 8.508 1.00 0.00 N ATOM 1277 CA LYS A 76 1.198 25.337 7.618 1.00 0.00 C ATOM 1278 C LYS A 76 2.076 24.175 8.070 1.00 0.00 C ATOM 1279 O LYS A 76 2.176 23.889 9.262 1.00 0.00 O ATOM 1280 CB LYS A 76 2.024 26.625 7.569 1.00 0.00 C ATOM 1281 CG LYS A 76 1.815 27.433 6.301 1.00 0.00 C ATOM 1282 CD LYS A 76 1.662 28.915 6.602 1.00 0.00 C ATOM 1283 CE LYS A 76 1.843 29.760 5.351 1.00 0.00 C ATOM 1284 NZ LYS A 76 2.666 30.973 5.615 1.00 0.00 N ATOM 0 H LYS A 76 0.264 25.997 9.375 1.00 0.00 H new ATOM 0 HA LYS A 76 0.820 25.117 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.769 27.243 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.081 26.373 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.660 27.283 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.927 27.073 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.676 29.101 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.395 29.212 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.318 29.161 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.866 30.059 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.121 31.823 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.921 31.007 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.532 30.937 5.040 1.00 0.00 H new ATOM 1298 N GLU A 77 2.711 23.510 7.109 1.00 0.00 N ATOM 1299 CA GLU A 77 3.581 22.379 7.411 1.00 0.00 C ATOM 1300 C GLU A 77 4.721 22.800 8.333 1.00 0.00 C ATOM 1301 O GLU A 77 5.193 23.936 8.276 1.00 0.00 O ATOM 1302 CB GLU A 77 4.147 21.784 6.120 1.00 0.00 C ATOM 1303 CG GLU A 77 3.082 21.408 5.104 1.00 0.00 C ATOM 1304 CD GLU A 77 3.660 21.116 3.733 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.266 20.038 3.563 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.507 21.965 2.830 1.00 0.00 O ATOM 0 H GLU A 77 2.639 23.735 6.117 1.00 0.00 H new ATOM 0 HA GLU A 77 2.986 21.622 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.830 22.503 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.732 20.898 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.539 20.532 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.359 22.220 5.024 1.00 0.00 H new ATOM 1313 N VAL A 78 5.159 21.877 9.183 1.00 0.00 N ATOM 1314 CA VAL A 78 6.244 22.151 10.117 1.00 0.00 C ATOM 1315 C VAL A 78 7.567 21.594 9.603 1.00 0.00 C ATOM 1316 O VAL A 78 7.597 20.573 8.914 1.00 0.00 O ATOM 1317 CB VAL A 78 5.954 21.553 11.506 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.014 21.987 12.507 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.565 21.956 11.979 1.00 0.00 C ATOM 0 H VAL A 78 4.779 20.932 9.244 1.00 0.00 H new ATOM 0 HA VAL A 78 6.319 23.235 10.204 1.00 0.00 H new ATOM 0 HB VAL A 78 5.986 20.466 11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.792 21.555 13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.993 21.644 12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.018 23.074 12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.376 21.525 12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.503 23.042 12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.820 21.590 11.273 1.00 0.00 H new ATOM 1329 N LEU A 79 8.659 22.270 9.942 1.00 0.00 N ATOM 1330 CA LEU A 79 9.987 21.842 9.515 1.00 0.00 C ATOM 1331 C LEU A 79 10.753 21.209 10.672 1.00 0.00 C ATOM 1332 O LEU A 79 10.881 21.801 11.743 1.00 0.00 O ATOM 1333 CB LEU A 79 10.772 23.031 8.958 1.00 0.00 C ATOM 1334 CG LEU A 79 10.962 23.058 7.441 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.906 21.950 7.000 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.620 22.930 6.733 1.00 0.00 C ATOM 0 H LEU A 79 8.651 23.116 10.511 1.00 0.00 H new ATOM 0 HA LEU A 79 9.867 21.094 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.264 23.948 9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.756 23.044 9.428 1.00 0.00 H new ATOM 0 HG LEU A 79 11.406 24.015 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.028 21.986 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.875 22.086 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.492 20.983 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.774 22.951 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.149 21.988 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.975 23.759 7.024 1.00 0.00 H new ATOM 1348 N TYR A 80 11.263 20.003 10.447 1.00 0.00 N ATOM 1349 CA TYR A 80 12.017 19.289 11.471 1.00 0.00 C ATOM 1350 C TYR A 80 13.495 19.206 11.100 1.00 0.00 C ATOM 1351 O TYR A 80 13.880 19.356 9.940 1.00 0.00 O ATOM 1352 CB TYR A 80 11.449 17.883 11.665 1.00 0.00 C ATOM 1353 CG TYR A 80 10.285 17.828 12.628 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.991 18.102 12.201 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.478 17.504 13.965 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.924 18.054 13.078 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.417 17.452 14.848 1.00 0.00 C ATOM 1358 CZ TYR A 80 8.142 17.728 14.400 1.00 0.00 C ATOM 1359 OH TYR A 80 7.083 17.679 15.277 1.00 0.00 O ATOM 0 H TYR A 80 11.168 19.500 9.565 1.00 0.00 H new ATOM 0 HA TYR A 80 11.926 19.842 12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.129 17.493 10.699 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.241 17.227 12.027 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.816 18.357 11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.475 17.289 14.320 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.925 18.271 12.730 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.585 17.197 15.884 1.00 0.00 H new ATOM 0 HH TYR A 80 7.176 18.392 15.943 1.00 0.00 H new ATOM 1369 N PRO A 81 14.344 18.960 12.109 1.00 0.00 N ATOM 1370 CA PRO A 81 15.793 18.850 11.915 1.00 0.00 C ATOM 1371 C PRO A 81 16.181 17.588 11.152 1.00 0.00 C ATOM 1372 O PRO A 81 15.482 16.577 11.207 1.00 0.00 O ATOM 1373 CB PRO A 81 16.339 18.800 13.344 1.00 0.00 C ATOM 1374 CG PRO A 81 15.215 18.262 14.161 1.00 0.00 C ATOM 1375 CD PRO A 81 13.955 18.771 13.516 1.00 0.00 C ATOM 0 HA PRO A 81 16.189 19.674 11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.218 18.159 13.410 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.640 19.790 13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.232 17.172 14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.288 18.599 15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.137 18.058 13.614 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.620 19.704 13.969 1.00 0.00 H new