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 25 CYS SG : rot 180:sc= -0.346 USER MOD Set 1.2: A 80 TYR OH : rot -33:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -0.213 (180deg=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= 0.0363 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.369 K(o=-0.37,f=-2) 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 26 GLN :FLIP amide:sc= -0.333 F(o=-0.92,f=-0.33) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.791 K(o=-0.79,f=-4.5!) USER MOD Single : A 45 THR OG1 : rot 62:sc= 0.296 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0.716 (180deg=0.629) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -166:sc= 0.166 USER MOD Single : A 55 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-2) USER MOD Single : A 56 TYR OH : rot 165:sc= -1.14 USER MOD Single : A 58 ASN : amide:sc= 0.23 K(o=0.23,f=-2.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.001) USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= -0.103 (180deg=-1.49!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 73 ASN : amide:sc= -0.522 K(o=-0.52,f=-7.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.913 17.423 6.669 1.00 0.00 N ATOM 174 CA ILE A 11 11.648 16.699 6.688 1.00 0.00 C ATOM 175 C ILE A 11 10.474 17.649 6.901 1.00 0.00 C ATOM 176 O ILE A 11 10.536 18.551 7.737 1.00 0.00 O ATOM 177 CB ILE A 11 11.631 15.625 7.792 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.851 14.711 7.663 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.345 14.814 7.721 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.988 15.087 8.588 1.00 0.00 C ATOM 0 HA ILE A 11 11.548 16.213 5.717 1.00 0.00 H new ATOM 0 HB ILE A 11 11.673 16.120 8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.549 13.684 7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.207 14.737 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.347 14.059 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.490 15.476 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.276 14.326 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.819 14.397 8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.317 16.102 8.366 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.649 15.033 9.622 1.00 0.00 H new ATOM 192 N ALA A 12 9.405 17.440 6.141 1.00 0.00 N ATOM 193 CA ALA A 12 8.215 18.275 6.249 1.00 0.00 C ATOM 194 C ALA A 12 6.996 17.446 6.638 1.00 0.00 C ATOM 195 O ALA A 12 6.562 16.570 5.889 1.00 0.00 O ATOM 196 CB ALA A 12 7.962 19.005 4.938 1.00 0.00 C ATOM 0 H ALA A 12 9.338 16.699 5.443 1.00 0.00 H new ATOM 0 HA ALA A 12 8.388 19.010 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.070 19.625 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.819 19.636 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.815 18.278 4.139 1.00 0.00 H new ATOM 202 N LYS A 13 6.447 17.726 7.815 1.00 0.00 N ATOM 203 CA LYS A 13 5.276 17.008 8.305 1.00 0.00 C ATOM 204 C LYS A 13 4.252 17.973 8.892 1.00 0.00 C ATOM 205 O LYS A 13 4.610 19.002 9.466 1.00 0.00 O ATOM 206 CB LYS A 13 5.689 15.980 9.361 1.00 0.00 C ATOM 207 CG LYS A 13 6.059 16.597 10.699 1.00 0.00 C ATOM 208 CD LYS A 13 6.573 15.550 11.673 1.00 0.00 C ATOM 209 CE LYS A 13 7.941 15.029 11.260 1.00 0.00 C ATOM 210 NZ LYS A 13 7.840 13.772 10.468 1.00 0.00 N ATOM 0 H LYS A 13 6.795 18.446 8.448 1.00 0.00 H new ATOM 0 HA LYS A 13 4.818 16.490 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.871 15.275 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.538 15.408 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.821 17.362 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.188 17.095 11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.633 15.980 12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.867 14.721 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.456 15.788 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.545 14.850 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.197 12.976 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.846 13.599 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.406 13.862 9.600 1.00 0.00 H new ATOM 224 N LYS A 14 2.975 17.634 8.747 1.00 0.00 N ATOM 225 CA LYS A 14 1.898 18.468 9.266 1.00 0.00 C ATOM 226 C LYS A 14 1.384 17.929 10.597 1.00 0.00 C ATOM 227 O LYS A 14 0.840 16.826 10.662 1.00 0.00 O ATOM 228 CB LYS A 14 0.750 18.540 8.256 1.00 0.00 C ATOM 229 CG LYS A 14 0.954 19.590 7.178 1.00 0.00 C ATOM 230 CD LYS A 14 0.424 20.946 7.613 1.00 0.00 C ATOM 231 CE LYS A 14 -1.096 20.984 7.592 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.625 21.291 6.234 1.00 0.00 N ATOM 0 H LYS A 14 2.661 16.787 8.274 1.00 0.00 H new ATOM 0 HA LYS A 14 2.295 19.470 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.631 17.565 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.178 18.752 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.016 19.671 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.449 19.277 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.781 21.172 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.817 21.720 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.488 20.023 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.450 21.735 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.581 20.893 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.663 22.322 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.001 20.872 5.515 1.00 0.00 H new ATOM 246 N ILE A 15 1.561 18.713 11.655 1.00 0.00 N ATOM 247 CA ILE A 15 1.113 18.314 12.984 1.00 0.00 C ATOM 248 C ILE A 15 -0.059 19.172 13.449 1.00 0.00 C ATOM 249 O ILE A 15 -0.380 20.188 12.834 1.00 0.00 O ATOM 250 CB ILE A 15 2.251 18.417 14.016 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.804 19.843 14.058 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.356 17.424 13.687 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.209 20.293 15.444 1.00 0.00 C ATOM 0 H ILE A 15 2.011 19.628 11.618 1.00 0.00 H new ATOM 0 HA ILE A 15 0.793 17.275 12.911 1.00 0.00 H new ATOM 0 HB ILE A 15 1.852 18.173 15.001 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.668 19.909 13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.051 20.528 13.668 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.153 17.509 14.425 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.952 16.412 13.704 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.755 17.639 12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.592 21.313 15.398 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.343 20.260 16.105 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.985 19.631 15.829 1.00 0.00 H new ATOM 265 N ASN A 16 -0.694 18.755 14.540 1.00 0.00 N ATOM 266 CA ASN A 16 -1.830 19.486 15.089 1.00 0.00 C ATOM 267 C ASN A 16 -1.725 19.594 16.607 1.00 0.00 C ATOM 268 O ASN A 16 -2.719 19.832 17.293 1.00 0.00 O ATOM 269 CB ASN A 16 -3.141 18.796 14.705 1.00 0.00 C ATOM 270 CG ASN A 16 -3.367 18.777 13.206 1.00 0.00 C ATOM 271 OD1 ASN A 16 -2.620 18.142 12.462 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.402 19.477 12.755 1.00 0.00 N ATOM 0 H ASN A 16 -0.441 17.915 15.061 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.820 20.492 14.669 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.134 17.773 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.973 19.308 15.189 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.604 19.503 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.995 19.989 13.408 1.00 0.00 H new ATOM 279 N SER A 17 -0.514 19.418 17.125 1.00 0.00 N ATOM 280 CA SER A 17 -0.278 19.493 18.562 1.00 0.00 C ATOM 281 C SER A 17 1.033 20.213 18.861 1.00 0.00 C ATOM 282 O SER A 17 2.099 19.801 18.405 1.00 0.00 O ATOM 283 CB SER A 17 -0.252 18.089 19.170 1.00 0.00 C ATOM 284 OG SER A 17 -1.348 17.315 18.713 1.00 0.00 O ATOM 0 H SER A 17 0.320 19.222 16.571 1.00 0.00 H new ATOM 0 HA SER A 17 -1.094 20.060 19.010 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.682 17.593 18.907 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.281 18.160 20.257 1.00 0.00 H new ATOM 0 HG SER A 17 -1.308 16.422 19.115 1.00 0.00 H new ATOM 290 N VAL A 18 0.945 21.293 19.632 1.00 0.00 N ATOM 291 CA VAL A 18 2.123 22.072 19.994 1.00 0.00 C ATOM 292 C VAL A 18 3.063 21.265 20.882 1.00 0.00 C ATOM 293 O VAL A 18 4.224 21.631 21.069 1.00 0.00 O ATOM 294 CB VAL A 18 1.735 23.372 20.723 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.758 24.183 19.885 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.145 23.059 22.090 1.00 0.00 C ATOM 0 H VAL A 18 0.070 21.648 20.018 1.00 0.00 H new ATOM 0 HA VAL A 18 2.633 22.325 19.065 1.00 0.00 H new ATOM 0 HB VAL A 18 2.635 23.970 20.868 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.495 25.098 20.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.220 24.437 18.931 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.143 23.596 19.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.876 23.989 22.592 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.255 22.441 21.969 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.880 22.523 22.690 1.00 0.00 H new ATOM 306 N ASP A 19 2.555 20.165 21.427 1.00 0.00 N ATOM 307 CA ASP A 19 3.350 19.305 22.296 1.00 0.00 C ATOM 308 C ASP A 19 4.526 18.702 21.534 1.00 0.00 C ATOM 309 O ASP A 19 5.626 18.575 22.072 1.00 0.00 O ATOM 310 CB ASP A 19 2.479 18.190 22.880 1.00 0.00 C ATOM 311 CG ASP A 19 3.190 17.412 23.969 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.344 17.762 24.292 1.00 0.00 O ATOM 313 OD2 ASP A 19 2.592 16.452 24.499 1.00 0.00 O ATOM 0 H ASP A 19 1.596 19.848 21.282 1.00 0.00 H new ATOM 0 HA ASP A 19 3.742 19.914 23.111 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.564 18.622 23.284 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.184 17.507 22.083 1.00 0.00 H new ATOM 318 N ASP A 20 4.286 18.332 20.281 1.00 0.00 N ATOM 319 CA ASP A 20 5.325 17.742 19.445 1.00 0.00 C ATOM 320 C ASP A 20 6.199 18.825 18.819 1.00 0.00 C ATOM 321 O ASP A 20 6.351 18.884 17.599 1.00 0.00 O ATOM 322 CB ASP A 20 4.700 16.878 18.350 1.00 0.00 C ATOM 323 CG ASP A 20 4.368 15.480 18.834 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.550 15.355 19.769 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.928 14.511 18.279 1.00 0.00 O ATOM 0 H ASP A 20 3.381 18.430 19.822 1.00 0.00 H new ATOM 0 HA ASP A 20 5.952 17.114 20.078 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.792 17.359 17.986 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.387 16.814 17.506 1.00 0.00 H new ATOM 330 N ILE A 21 6.768 19.680 19.663 1.00 0.00 N ATOM 331 CA ILE A 21 7.626 20.760 19.192 1.00 0.00 C ATOM 332 C ILE A 21 8.980 20.732 19.893 1.00 0.00 C ATOM 333 O ILE A 21 9.067 20.429 21.083 1.00 0.00 O ATOM 334 CB ILE A 21 6.972 22.136 19.416 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.666 22.240 18.626 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.929 23.249 19.016 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.929 23.543 18.844 1.00 0.00 C ATOM 0 H ILE A 21 6.650 19.645 20.676 1.00 0.00 H new ATOM 0 HA ILE A 21 7.771 20.605 18.123 1.00 0.00 H new ATOM 0 HB ILE A 21 6.743 22.244 20.476 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.884 22.129 17.564 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.015 21.412 18.906 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.452 24.215 19.180 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.835 23.184 19.619 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.187 23.146 17.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.013 23.546 18.253 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.680 23.648 19.900 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.562 24.375 18.536 1.00 0.00 H new ATOM 349 N ILE A 22 10.032 21.053 19.148 1.00 0.00 N ATOM 350 CA ILE A 22 11.381 21.067 19.698 1.00 0.00 C ATOM 351 C ILE A 22 12.098 22.371 19.364 1.00 0.00 C ATOM 352 O ILE A 22 11.525 23.262 18.735 1.00 0.00 O ATOM 353 CB ILE A 22 12.217 19.886 19.172 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.133 19.813 17.646 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.744 18.582 19.797 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.286 19.067 17.011 1.00 0.00 C ATOM 0 H ILE A 22 9.976 21.307 18.162 1.00 0.00 H new ATOM 0 HA ILE A 22 11.281 20.977 20.780 1.00 0.00 H new ATOM 0 HB ILE A 22 13.258 20.044 19.453 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.198 19.328 17.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.100 20.825 17.243 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.345 17.757 19.415 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.851 18.638 20.880 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.697 18.416 19.544 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.160 19.055 15.928 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.223 19.564 17.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.307 18.043 17.385 1.00 0.00 H new ATOM 368 N ILE A 23 13.352 22.476 19.788 1.00 0.00 N ATOM 369 CA ILE A 23 14.148 23.670 19.531 1.00 0.00 C ATOM 370 C ILE A 23 14.568 23.746 18.067 1.00 0.00 C ATOM 371 O ILE A 23 14.828 24.828 17.539 1.00 0.00 O ATOM 372 CB ILE A 23 15.407 23.710 20.417 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.015 23.785 21.894 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.286 24.891 20.035 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.737 22.434 22.515 1.00 0.00 C ATOM 0 H ILE A 23 13.839 21.749 20.311 1.00 0.00 H new ATOM 0 HA ILE A 23 13.518 24.526 19.771 1.00 0.00 H new ATOM 0 HB ILE A 23 15.975 22.794 20.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.816 24.273 22.450 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.129 24.411 21.995 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.172 24.906 20.670 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.589 24.797 18.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.728 25.818 20.169 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.465 22.564 23.563 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.916 21.952 21.984 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.629 21.811 22.446 1.00 0.00 H new ATOM 387 N LYS A 24 14.630 22.591 17.414 1.00 0.00 N ATOM 388 CA LYS A 24 15.014 22.525 16.009 1.00 0.00 C ATOM 389 C LYS A 24 13.784 22.521 15.107 1.00 0.00 C ATOM 390 O LYS A 24 13.897 22.391 13.888 1.00 0.00 O ATOM 391 CB LYS A 24 15.855 21.274 15.747 1.00 0.00 C ATOM 392 CG LYS A 24 17.121 21.205 16.585 1.00 0.00 C ATOM 393 CD LYS A 24 17.985 22.440 16.391 1.00 0.00 C ATOM 394 CE LYS A 24 18.441 22.580 14.947 1.00 0.00 C ATOM 395 NZ LYS A 24 19.358 23.740 14.765 1.00 0.00 N ATOM 0 H LYS A 24 14.419 21.687 17.836 1.00 0.00 H new ATOM 0 HA LYS A 24 15.608 23.410 15.779 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.249 20.390 15.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.126 21.243 14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.857 21.106 17.638 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.690 20.315 16.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.424 23.327 16.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.855 22.383 17.045 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.946 21.666 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.571 22.700 14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.646 23.801 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.868 24.616 15.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.200 23.614 15.362 1.00 0.00 H new ATOM 409 N CYS A 25 12.611 22.664 15.714 1.00 0.00 N ATOM 410 CA CYS A 25 11.359 22.678 14.966 1.00 0.00 C ATOM 411 C CYS A 25 11.032 24.086 14.479 1.00 0.00 C ATOM 412 O CYS A 25 11.217 25.062 15.205 1.00 0.00 O ATOM 413 CB CYS A 25 10.217 22.146 15.833 1.00 0.00 C ATOM 414 SG CYS A 25 8.569 22.471 15.163 1.00 0.00 S ATOM 0 H CYS A 25 12.501 22.772 16.722 1.00 0.00 H new ATOM 0 HA CYS A 25 11.476 22.031 14.096 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.341 21.070 15.958 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.289 22.593 16.825 1.00 0.00 H new ATOM 0 HG CYS A 25 7.670 21.982 15.965 1.00 0.00 H new ATOM 420 N GLN A 26 10.546 24.182 13.246 1.00 0.00 N ATOM 421 CA GLN A 26 10.195 25.471 12.662 1.00 0.00 C ATOM 422 C GLN A 26 8.739 25.486 12.209 1.00 0.00 C ATOM 423 O GLN A 26 8.283 24.570 11.524 1.00 0.00 O ATOM 424 CB GLN A 26 11.113 25.785 11.479 1.00 0.00 C ATOM 425 CG GLN A 26 12.563 26.008 11.876 1.00 0.00 C ATOM 426 CD GLN A 26 13.369 26.687 10.786 1.00 0.00 C ATOM 427 OE1 GLN A 26 12.986 27.911 10.442 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 14.325 26.119 10.259 1.00 0.00 N flip ATOM 0 H GLN A 26 10.386 23.383 12.632 1.00 0.00 H new ATOM 0 HA GLN A 26 10.325 26.236 13.428 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.063 24.964 10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.744 26.675 10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.599 26.615 12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.021 25.049 12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.585 25.178 10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.858 26.589 9.527 1.00 0.00 H new ATOM 437 N CYS A 27 8.015 26.529 12.596 1.00 0.00 N ATOM 438 CA CYS A 27 6.609 26.662 12.231 1.00 0.00 C ATOM 439 C CYS A 27 6.294 28.088 11.790 1.00 0.00 C ATOM 440 O CYS A 27 7.192 28.921 11.662 1.00 0.00 O ATOM 441 CB CYS A 27 5.715 26.271 13.409 1.00 0.00 C ATOM 442 SG CYS A 27 5.996 27.248 14.905 1.00 0.00 S ATOM 0 H CYS A 27 8.378 27.296 13.163 1.00 0.00 H new ATOM 0 HA CYS A 27 6.411 25.990 11.396 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.672 26.376 13.110 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.876 25.218 13.640 1.00 0.00 H new ATOM 0 HG CYS A 27 5.192 26.845 15.844 1.00 0.00 H new ATOM 448 N TRP A 28 5.016 28.361 11.557 1.00 0.00 N ATOM 449 CA TRP A 28 4.583 29.686 11.128 1.00 0.00 C ATOM 450 C TRP A 28 3.778 30.377 12.223 1.00 0.00 C ATOM 451 O TRP A 28 2.963 29.748 12.898 1.00 0.00 O ATOM 452 CB TRP A 28 3.747 29.583 9.851 1.00 0.00 C ATOM 453 CG TRP A 28 4.565 29.301 8.627 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.995 28.080 8.192 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.052 30.261 7.682 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.720 28.223 7.034 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.769 29.550 6.699 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.950 31.650 7.569 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.381 30.184 5.621 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.558 32.277 6.499 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.265 31.545 5.536 1.00 0.00 C ATOM 0 H TRP A 28 4.261 27.683 11.658 1.00 0.00 H new ATOM 0 HA TRP A 28 5.472 30.283 10.925 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.005 28.794 9.973 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.200 30.515 9.707 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.795 27.141 8.686 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.152 27.463 6.508 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.406 32.223 8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.928 29.622 4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.487 33.350 6.403 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.728 32.065 4.710 1.00 0.00 H new ATOM 472 N VAL A 29 4.011 31.674 12.394 1.00 0.00 N ATOM 473 CA VAL A 29 3.306 32.451 13.407 1.00 0.00 C ATOM 474 C VAL A 29 2.540 33.608 12.777 1.00 0.00 C ATOM 475 O VAL A 29 2.979 34.189 11.785 1.00 0.00 O ATOM 476 CB VAL A 29 4.278 33.008 14.464 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.518 33.773 15.537 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.098 31.884 15.079 1.00 0.00 C ATOM 0 H VAL A 29 4.683 32.209 11.844 1.00 0.00 H new ATOM 0 HA VAL A 29 2.602 31.775 13.892 1.00 0.00 H new ATOM 0 HB VAL A 29 4.963 33.700 13.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.221 34.159 16.275 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.979 34.603 15.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.808 33.106 16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.779 32.296 15.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.431 31.166 15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.672 31.384 14.299 1.00 0.00 H new ATOM 488 N GLN A 30 1.392 33.938 13.360 1.00 0.00 N ATOM 489 CA GLN A 30 0.563 35.026 12.855 1.00 0.00 C ATOM 490 C GLN A 30 1.059 36.372 13.373 1.00 0.00 C ATOM 491 O GLN A 30 1.100 36.609 14.580 1.00 0.00 O ATOM 492 CB GLN A 30 -0.896 34.816 13.262 1.00 0.00 C ATOM 493 CG GLN A 30 -1.877 35.668 12.472 1.00 0.00 C ATOM 494 CD GLN A 30 -3.284 35.609 13.033 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.775 36.578 13.613 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.942 34.468 12.863 1.00 0.00 N ATOM 0 H GLN A 30 1.015 33.467 14.183 1.00 0.00 H new ATOM 0 HA GLN A 30 0.632 35.027 11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.153 33.765 13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.005 35.041 14.323 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.534 36.703 12.470 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.889 35.334 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.497 33.690 12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.893 34.370 13.219 1.00 0.00 H new ATOM 505 N LYS A 31 1.435 37.253 12.451 1.00 0.00 N ATOM 506 CA LYS A 31 1.928 38.577 12.813 1.00 0.00 C ATOM 507 C LYS A 31 1.432 39.630 11.828 1.00 0.00 C ATOM 508 O LYS A 31 1.551 39.463 10.615 1.00 0.00 O ATOM 509 CB LYS A 31 3.457 38.581 12.853 1.00 0.00 C ATOM 510 CG LYS A 31 4.031 38.284 14.228 1.00 0.00 C ATOM 511 CD LYS A 31 3.746 39.411 15.207 1.00 0.00 C ATOM 512 CE LYS A 31 3.685 38.904 16.639 1.00 0.00 C ATOM 513 NZ LYS A 31 2.687 39.654 17.451 1.00 0.00 N ATOM 0 H LYS A 31 1.408 37.074 11.447 1.00 0.00 H new ATOM 0 HA LYS A 31 1.544 38.822 13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.832 37.842 12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.818 39.554 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.606 37.355 14.608 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.108 38.133 14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.521 40.172 15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.801 39.888 14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.430 37.844 16.638 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.669 38.995 17.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.676 39.278 18.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.944 40.662 17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.743 39.547 17.027 1.00 0.00 H new ATOM 527 N ASN A 32 0.877 40.715 12.358 1.00 0.00 N ATOM 528 CA ASN A 32 0.363 41.796 11.524 1.00 0.00 C ATOM 529 C ASN A 32 -0.590 41.258 10.462 1.00 0.00 C ATOM 530 O ASN A 32 -0.434 41.539 9.274 1.00 0.00 O ATOM 531 CB ASN A 32 1.518 42.545 10.857 1.00 0.00 C ATOM 532 CG ASN A 32 1.138 43.959 10.461 1.00 0.00 C ATOM 533 OD1 ASN A 32 0.601 44.189 9.377 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.416 44.914 11.340 1.00 0.00 N ATOM 0 H ASN A 32 0.772 40.869 13.361 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.188 42.485 12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.368 42.577 11.538 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.840 41.997 9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.184 45.885 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.862 44.677 12.226 1.00 0.00 H new ATOM 541 N ASP A 33 -1.577 40.483 10.899 1.00 0.00 N ATOM 542 CA ASP A 33 -2.557 39.907 9.986 1.00 0.00 C ATOM 543 C ASP A 33 -1.868 39.157 8.850 1.00 0.00 C ATOM 544 O ASP A 33 -2.398 39.064 7.744 1.00 0.00 O ATOM 545 CB ASP A 33 -3.461 41.001 9.416 1.00 0.00 C ATOM 546 CG ASP A 33 -3.983 41.937 10.489 1.00 0.00 C ATOM 547 OD1 ASP A 33 -3.305 42.944 10.778 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.070 41.662 11.039 1.00 0.00 O ATOM 0 H ASP A 33 -1.719 40.239 11.879 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.166 39.199 10.548 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.907 41.576 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.303 40.540 8.899 1.00 0.00 H new ATOM 553 N GLU A 34 -0.682 38.625 9.133 1.00 0.00 N ATOM 554 CA GLU A 34 0.080 37.886 8.134 1.00 0.00 C ATOM 555 C GLU A 34 0.746 36.661 8.754 1.00 0.00 C ATOM 556 O GLU A 34 0.633 36.423 9.956 1.00 0.00 O ATOM 557 CB GLU A 34 1.139 38.788 7.498 1.00 0.00 C ATOM 558 CG GLU A 34 0.590 39.703 6.416 1.00 0.00 C ATOM 559 CD GLU A 34 1.533 40.842 6.081 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.762 40.640 6.170 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.043 41.936 5.730 1.00 0.00 O ATOM 0 H GLU A 34 -0.229 38.692 10.045 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.612 37.550 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.601 39.396 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.925 38.165 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.397 39.120 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.366 40.112 6.742 1.00 0.00 H new ATOM 568 N GLU A 35 1.438 35.887 7.925 1.00 0.00 N ATOM 569 CA GLU A 35 2.121 34.686 8.392 1.00 0.00 C ATOM 570 C GLU A 35 3.623 34.780 8.139 1.00 0.00 C ATOM 571 O GLU A 35 4.059 35.038 7.017 1.00 0.00 O ATOM 572 CB GLU A 35 1.552 33.447 7.697 1.00 0.00 C ATOM 573 CG GLU A 35 0.102 33.162 8.051 1.00 0.00 C ATOM 574 CD GLU A 35 -0.862 34.118 7.377 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.698 34.371 6.165 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.781 34.614 8.062 1.00 0.00 O ATOM 0 H GLU A 35 1.541 36.070 6.927 1.00 0.00 H new ATOM 0 HA GLU A 35 1.956 34.600 9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.635 33.576 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.159 32.581 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.144 32.140 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.024 33.227 9.132 1.00 0.00 H new ATOM 583 N ARG A 36 4.408 34.570 9.191 1.00 0.00 N ATOM 584 CA ARG A 36 5.860 34.633 9.084 1.00 0.00 C ATOM 585 C ARG A 36 6.502 33.363 9.636 1.00 0.00 C ATOM 586 O ARG A 36 6.132 32.884 10.709 1.00 0.00 O ATOM 587 CB ARG A 36 6.396 35.855 9.833 1.00 0.00 C ATOM 588 CG ARG A 36 5.675 37.147 9.485 1.00 0.00 C ATOM 589 CD ARG A 36 6.635 38.188 8.932 1.00 0.00 C ATOM 590 NE ARG A 36 6.719 38.137 7.475 1.00 0.00 N ATOM 591 CZ ARG A 36 7.722 38.658 6.778 1.00 0.00 C ATOM 592 NH1 ARG A 36 8.721 39.267 7.401 1.00 0.00 N ATOM 593 NH2 ARG A 36 7.727 38.571 5.454 1.00 0.00 N ATOM 0 H ARG A 36 4.063 34.355 10.126 1.00 0.00 H new ATOM 0 HA ARG A 36 6.117 34.721 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.312 35.679 10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.457 35.970 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.895 36.944 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.182 37.541 10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.310 39.181 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.626 38.030 9.358 1.00 0.00 H new ATOM 0 HE ARG A 36 5.966 37.676 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.721 39.336 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.490 39.666 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.960 38.104 4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.498 38.972 4.919 1.00 0.00 H new ATOM 607 N LEU A 37 7.463 32.823 8.896 1.00 0.00 N ATOM 608 CA LEU A 37 8.156 31.608 9.311 1.00 0.00 C ATOM 609 C LEU A 37 8.987 31.856 10.565 1.00 0.00 C ATOM 610 O LEU A 37 10.006 32.545 10.521 1.00 0.00 O ATOM 611 CB LEU A 37 9.055 31.099 8.182 1.00 0.00 C ATOM 612 CG LEU A 37 9.618 29.688 8.357 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.666 28.657 7.771 1.00 0.00 C ATOM 614 CD2 LEU A 37 10.991 29.578 7.709 1.00 0.00 C ATOM 0 H LEU A 37 7.780 33.207 8.006 1.00 0.00 H new ATOM 0 HA LEU A 37 7.405 30.851 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.488 31.130 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.890 31.790 8.070 1.00 0.00 H new ATOM 0 HG LEU A 37 9.724 29.489 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.083 27.659 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.704 28.719 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.527 28.853 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.377 28.567 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.909 29.797 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.671 30.291 8.175 1.00 0.00 H new ATOM 626 N ALA A 38 8.546 31.288 11.683 1.00 0.00 N ATOM 627 CA ALA A 38 9.252 31.444 12.949 1.00 0.00 C ATOM 628 C ALA A 38 9.904 30.134 13.379 1.00 0.00 C ATOM 629 O ALA A 38 9.282 29.074 13.326 1.00 0.00 O ATOM 630 CB ALA A 38 8.299 31.940 14.026 1.00 0.00 C ATOM 0 H ALA A 38 7.703 30.716 11.738 1.00 0.00 H new ATOM 0 HA ALA A 38 10.041 32.183 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.839 32.052 14.966 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.884 32.903 13.729 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.490 31.221 14.156 1.00 0.00 H new ATOM 636 N GLU A 39 11.161 30.216 13.804 1.00 0.00 N ATOM 637 CA GLU A 39 11.898 29.036 14.241 1.00 0.00 C ATOM 638 C GLU A 39 11.911 28.937 15.764 1.00 0.00 C ATOM 639 O GLU A 39 12.240 29.901 16.456 1.00 0.00 O ATOM 640 CB GLU A 39 13.332 29.076 13.709 1.00 0.00 C ATOM 641 CG GLU A 39 14.230 28.002 14.299 1.00 0.00 C ATOM 642 CD GLU A 39 15.453 27.731 13.445 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.469 28.170 12.276 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.394 27.080 13.945 1.00 0.00 O ATOM 0 H GLU A 39 11.690 31.087 13.855 1.00 0.00 H new ATOM 0 HA GLU A 39 11.395 28.156 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.312 28.965 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.762 30.055 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.548 28.307 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.660 27.080 14.414 1.00 0.00 H new ATOM 651 N ILE A 40 11.551 27.766 16.278 1.00 0.00 N ATOM 652 CA ILE A 40 11.522 27.540 17.718 1.00 0.00 C ATOM 653 C ILE A 40 12.917 27.658 18.321 1.00 0.00 C ATOM 654 O ILE A 40 13.904 27.232 17.718 1.00 0.00 O ATOM 655 CB ILE A 40 10.942 26.155 18.059 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.551 25.994 17.442 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.885 25.962 19.567 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.515 26.920 18.039 1.00 0.00 C ATOM 0 H ILE A 40 11.275 26.959 15.719 1.00 0.00 H new ATOM 0 HA ILE A 40 10.878 28.309 18.145 1.00 0.00 H new ATOM 0 HB ILE A 40 11.595 25.390 17.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.615 26.177 16.369 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.222 24.963 17.571 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.473 24.978 19.793 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.890 26.038 19.982 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.251 26.731 20.009 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.553 26.751 17.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.423 26.722 19.107 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.821 27.955 17.887 1.00 0.00 H new ATOM 670 N LEU A 41 12.993 28.236 19.514 1.00 0.00 N ATOM 671 CA LEU A 41 14.269 28.408 20.201 1.00 0.00 C ATOM 672 C LEU A 41 14.288 27.634 21.515 1.00 0.00 C ATOM 673 O LEU A 41 15.321 27.100 21.917 1.00 0.00 O ATOM 674 CB LEU A 41 14.532 29.892 20.466 1.00 0.00 C ATOM 675 CG LEU A 41 15.019 30.711 19.270 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.219 32.166 19.666 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.308 30.126 18.712 1.00 0.00 C ATOM 0 H LEU A 41 12.187 28.594 20.026 1.00 0.00 H new ATOM 0 HA LEU A 41 15.056 28.015 19.558 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.612 30.343 20.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.272 29.973 21.262 1.00 0.00 H new ATOM 0 HG LEU A 41 14.258 30.669 18.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.566 32.734 18.803 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.274 32.581 20.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.961 32.228 20.462 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.640 30.722 17.862 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.077 30.137 19.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.132 29.100 18.390 1.00 0.00 H new ATOM 689 N SER A 42 13.138 27.577 22.179 1.00 0.00 N ATOM 690 CA SER A 42 13.023 26.869 23.449 1.00 0.00 C ATOM 691 C SER A 42 11.559 26.634 23.809 1.00 0.00 C ATOM 692 O SER A 42 10.656 27.153 23.152 1.00 0.00 O ATOM 693 CB SER A 42 13.713 27.660 24.562 1.00 0.00 C ATOM 694 OG SER A 42 14.578 26.829 25.317 1.00 0.00 O ATOM 0 H SER A 42 12.273 28.012 21.859 1.00 0.00 H new ATOM 0 HA SER A 42 13.513 25.901 23.343 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.281 28.483 24.129 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.963 28.101 25.218 1.00 0.00 H new ATOM 0 HG SER A 42 15.008 27.358 26.021 1.00 0.00 H new ATOM 700 N ILE A 43 11.333 25.848 24.856 1.00 0.00 N ATOM 701 CA ILE A 43 9.980 25.544 25.305 1.00 0.00 C ATOM 702 C ILE A 43 9.821 25.816 26.797 1.00 0.00 C ATOM 703 O ILE A 43 10.733 25.566 27.584 1.00 0.00 O ATOM 704 CB ILE A 43 9.608 24.077 25.019 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.861 23.741 23.548 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.154 23.818 25.385 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.692 22.273 23.226 1.00 0.00 C ATOM 0 H ILE A 43 12.069 25.410 25.409 1.00 0.00 H new ATOM 0 HA ILE A 43 9.309 26.196 24.746 1.00 0.00 H new ATOM 0 HB ILE A 43 10.237 23.432 25.633 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.178 24.322 22.928 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.872 24.049 23.282 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.906 22.777 25.177 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.004 24.022 26.445 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.509 24.469 24.795 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.887 22.108 22.166 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.394 21.687 23.819 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.673 21.964 23.460 1.00 0.00 H new ATOM 719 N ASN A 44 8.656 26.329 27.179 1.00 0.00 N ATOM 720 CA ASN A 44 8.377 26.634 28.577 1.00 0.00 C ATOM 721 C ASN A 44 6.943 26.259 28.940 1.00 0.00 C ATOM 722 O ASN A 44 6.000 26.988 28.627 1.00 0.00 O ATOM 723 CB ASN A 44 8.613 28.120 28.854 1.00 0.00 C ATOM 724 CG ASN A 44 8.569 28.447 30.334 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.226 27.599 31.158 1.00 0.00 O ATOM 726 ND2 ASN A 44 8.916 29.682 30.677 1.00 0.00 N ATOM 0 H ASN A 44 7.890 26.542 26.540 1.00 0.00 H new ATOM 0 HA ASN A 44 9.055 26.044 29.194 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.582 28.413 28.449 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.858 28.708 28.332 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.905 29.961 31.658 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.194 30.352 29.959 1.00 0.00 H new ATOM 733 N THR A 45 6.785 25.118 29.603 1.00 0.00 N ATOM 734 CA THR A 45 5.467 24.646 30.008 1.00 0.00 C ATOM 735 C THR A 45 5.225 24.898 31.492 1.00 0.00 C ATOM 736 O THR A 45 5.006 23.963 32.263 1.00 0.00 O ATOM 737 CB THR A 45 5.296 23.142 29.720 1.00 0.00 C ATOM 738 OG1 THR A 45 6.307 22.394 30.405 1.00 0.00 O ATOM 739 CG2 THR A 45 5.376 22.865 28.227 1.00 0.00 C ATOM 0 H THR A 45 7.554 24.503 29.871 1.00 0.00 H new ATOM 0 HA THR A 45 4.737 25.206 29.423 1.00 0.00 H new ATOM 0 HB THR A 45 4.313 22.835 30.078 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.210 22.522 31.372 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.253 21.797 28.048 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.586 23.413 27.713 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.346 23.187 27.849 1.00 0.00 H new ATOM 747 N ARG A 46 5.265 26.166 31.886 1.00 0.00 N ATOM 748 CA ARG A 46 5.051 26.541 33.279 1.00 0.00 C ATOM 749 C ARG A 46 3.618 27.018 33.499 1.00 0.00 C ATOM 750 O ARG A 46 3.145 27.097 34.633 1.00 0.00 O ATOM 751 CB ARG A 46 6.034 27.638 33.692 1.00 0.00 C ATOM 752 CG ARG A 46 5.642 29.023 33.203 1.00 0.00 C ATOM 753 CD ARG A 46 6.653 30.073 33.636 1.00 0.00 C ATOM 754 NE ARG A 46 6.038 31.387 33.808 1.00 0.00 N ATOM 755 CZ ARG A 46 6.728 32.521 33.852 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.048 32.502 33.737 1.00 0.00 N ATOM 757 NH2 ARG A 46 6.096 33.677 34.010 1.00 0.00 N ATOM 0 H ARG A 46 5.444 26.952 31.260 1.00 0.00 H new ATOM 0 HA ARG A 46 5.222 25.659 33.897 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.111 27.654 34.779 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.023 27.392 33.306 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.564 29.018 32.116 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.657 29.282 33.592 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.117 29.765 34.573 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.448 30.139 32.893 1.00 0.00 H new ATOM 0 HE ARG A 46 5.023 31.436 33.899 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.537 31.615 33.614 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.576 33.374 33.771 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.080 33.695 34.098 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.626 34.548 34.044 1.00 0.00 H new ATOM 771 N LYS A 47 2.932 27.337 32.406 1.00 0.00 N ATOM 772 CA LYS A 47 1.553 27.806 32.478 1.00 0.00 C ATOM 773 C LYS A 47 0.625 26.889 31.687 1.00 0.00 C ATOM 774 O LYS A 47 1.053 25.864 31.157 1.00 0.00 O ATOM 775 CB LYS A 47 1.451 29.236 31.943 1.00 0.00 C ATOM 776 CG LYS A 47 0.679 30.173 32.856 1.00 0.00 C ATOM 777 CD LYS A 47 1.609 30.957 33.766 1.00 0.00 C ATOM 778 CE LYS A 47 1.360 30.630 35.231 1.00 0.00 C ATOM 779 NZ LYS A 47 2.319 29.613 35.743 1.00 0.00 N ATOM 0 H LYS A 47 3.309 27.279 31.460 1.00 0.00 H new ATOM 0 HA LYS A 47 1.245 27.792 33.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.456 29.632 31.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.969 29.216 30.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.089 30.865 32.254 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.023 29.598 33.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.645 30.731 33.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.467 32.025 33.601 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.444 31.540 35.825 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.341 30.262 35.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.997 29.268 36.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.370 28.817 35.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.261 30.043 35.841 1.00 0.00 H new ATOM 793 N ALA A 48 -0.647 27.265 31.612 1.00 0.00 N ATOM 794 CA ALA A 48 -1.635 26.478 30.884 1.00 0.00 C ATOM 795 C ALA A 48 -2.595 27.379 30.114 1.00 0.00 C ATOM 796 O ALA A 48 -3.388 28.120 30.694 1.00 0.00 O ATOM 797 CB ALA A 48 -2.404 25.579 31.841 1.00 0.00 C ATOM 0 H ALA A 48 -1.018 28.110 32.047 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.107 25.854 30.163 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.138 24.997 31.283 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.711 24.903 32.342 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.915 26.191 32.584 1.00 0.00 H new ATOM 803 N PRO A 49 -2.523 27.316 28.776 1.00 0.00 N ATOM 804 CA PRO A 49 -1.582 26.437 28.075 1.00 0.00 C ATOM 805 C PRO A 49 -0.136 26.896 28.229 1.00 0.00 C ATOM 806 O PRO A 49 0.144 28.008 28.677 1.00 0.00 O ATOM 807 CB PRO A 49 -2.022 26.541 26.613 1.00 0.00 C ATOM 808 CG PRO A 49 -2.696 27.866 26.513 1.00 0.00 C ATOM 809 CD PRO A 49 -3.354 28.097 27.845 1.00 0.00 C ATOM 0 HA PRO A 49 -1.602 25.421 28.470 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.169 26.479 25.938 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.700 25.731 26.345 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.976 28.654 26.291 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.431 27.870 25.708 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.367 29.155 28.109 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.389 27.755 27.847 1.00 0.00 H new ATOM 817 N PRO A 50 0.807 26.021 27.849 1.00 0.00 N ATOM 818 CA PRO A 50 2.241 26.315 27.935 1.00 0.00 C ATOM 819 C PRO A 50 2.677 27.372 26.927 1.00 0.00 C ATOM 820 O PRO A 50 1.943 27.694 25.992 1.00 0.00 O ATOM 821 CB PRO A 50 2.898 24.969 27.617 1.00 0.00 C ATOM 822 CG PRO A 50 1.892 24.240 26.796 1.00 0.00 C ATOM 823 CD PRO A 50 0.546 24.677 27.306 1.00 0.00 C ATOM 0 HA PRO A 50 2.517 26.720 28.909 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.832 25.104 27.071 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.138 24.421 28.528 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.005 24.478 25.738 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.015 23.162 26.895 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.197 24.703 26.509 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.168 24.000 28.072 1.00 0.00 H new ATOM 831 N LYS A 51 3.877 27.909 27.122 1.00 0.00 N ATOM 832 CA LYS A 51 4.413 28.930 26.229 1.00 0.00 C ATOM 833 C LYS A 51 5.621 28.402 25.462 1.00 0.00 C ATOM 834 O LYS A 51 6.254 27.430 25.875 1.00 0.00 O ATOM 835 CB LYS A 51 4.805 30.177 27.024 1.00 0.00 C ATOM 836 CG LYS A 51 3.617 31.007 27.479 1.00 0.00 C ATOM 837 CD LYS A 51 4.052 32.169 28.356 1.00 0.00 C ATOM 838 CE LYS A 51 2.938 33.192 28.520 1.00 0.00 C ATOM 839 NZ LYS A 51 2.933 34.188 27.413 1.00 0.00 N ATOM 0 H LYS A 51 4.497 27.654 27.891 1.00 0.00 H new ATOM 0 HA LYS A 51 3.636 29.194 25.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.382 29.874 27.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.458 30.798 26.411 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.083 31.387 26.608 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.920 30.375 28.030 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.351 31.795 29.335 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.927 32.649 27.918 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.976 32.680 28.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.056 33.708 29.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.160 34.868 27.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.841 34.695 27.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.795 33.698 26.506 1.00 0.00 H new ATOM 853 N PHE A 52 5.936 29.048 24.345 1.00 0.00 N ATOM 854 CA PHE A 52 7.069 28.644 23.521 1.00 0.00 C ATOM 855 C PHE A 52 7.838 29.862 23.017 1.00 0.00 C ATOM 856 O PHE A 52 7.265 30.935 22.825 1.00 0.00 O ATOM 857 CB PHE A 52 6.591 27.803 22.336 1.00 0.00 C ATOM 858 CG PHE A 52 5.835 26.570 22.742 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.509 26.651 23.133 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.452 25.329 22.733 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.812 25.518 23.508 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.760 24.192 23.106 1.00 0.00 C ATOM 863 CZ PHE A 52 4.438 24.287 23.493 1.00 0.00 C ATOM 0 H PHE A 52 5.422 29.854 23.989 1.00 0.00 H new ATOM 0 HA PHE A 52 7.738 28.044 24.138 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.954 28.417 21.699 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.453 27.510 21.737 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.014 27.611 23.145 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.486 25.249 22.431 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.779 25.595 23.813 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.253 23.231 23.095 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.894 23.400 23.783 1.00 0.00 H new ATOM 873 N TYR A 53 9.138 29.688 22.807 1.00 0.00 N ATOM 874 CA TYR A 53 9.986 30.773 22.328 1.00 0.00 C ATOM 875 C TYR A 53 10.228 30.654 20.826 1.00 0.00 C ATOM 876 O TYR A 53 10.817 29.682 20.355 1.00 0.00 O ATOM 877 CB TYR A 53 11.323 30.769 23.073 1.00 0.00 C ATOM 878 CG TYR A 53 11.985 32.127 23.135 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.276 33.249 23.545 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.320 32.288 22.785 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.876 34.492 23.603 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.929 33.526 22.841 1.00 0.00 C ATOM 883 CZ TYR A 53 13.203 34.625 23.250 1.00 0.00 C ATOM 884 OH TYR A 53 13.806 35.861 23.308 1.00 0.00 O ATOM 0 H TYR A 53 9.627 28.806 22.961 1.00 0.00 H new ATOM 0 HA TYR A 53 9.472 31.714 22.521 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.163 30.405 24.088 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.999 30.066 22.586 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.237 33.148 23.823 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.891 31.430 22.464 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.310 35.354 23.923 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.968 33.633 22.566 1.00 0.00 H new ATOM 0 HH TYR A 53 14.658 35.832 22.825 1.00 0.00 H new ATOM 894 N VAL A 54 9.767 31.652 20.079 1.00 0.00 N ATOM 895 CA VAL A 54 9.934 31.663 18.631 1.00 0.00 C ATOM 896 C VAL A 54 10.830 32.813 18.188 1.00 0.00 C ATOM 897 O VAL A 54 10.931 33.834 18.870 1.00 0.00 O ATOM 898 CB VAL A 54 8.577 31.778 17.911 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.787 30.485 18.049 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.784 32.957 18.454 1.00 0.00 C ATOM 0 H VAL A 54 9.275 32.463 20.453 1.00 0.00 H new ATOM 0 HA VAL A 54 10.403 30.717 18.360 1.00 0.00 H new ATOM 0 HB VAL A 54 8.762 31.951 16.851 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.832 30.586 17.534 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.352 29.664 17.608 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.610 30.277 19.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.828 33.023 17.934 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.608 32.817 19.520 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.347 33.877 18.297 1.00 0.00 H new ATOM 910 N HIS A 55 11.481 32.643 17.042 1.00 0.00 N ATOM 911 CA HIS A 55 12.369 33.668 16.507 1.00 0.00 C ATOM 912 C HIS A 55 12.118 33.882 15.017 1.00 0.00 C ATOM 913 O HIS A 55 12.132 32.933 14.233 1.00 0.00 O ATOM 914 CB HIS A 55 13.830 33.279 16.738 1.00 0.00 C ATOM 915 CG HIS A 55 14.788 33.978 15.824 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.695 35.319 15.519 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.865 33.514 15.148 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.672 35.650 14.693 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.397 34.572 14.453 1.00 0.00 N ATOM 0 H HIS A 55 11.410 31.804 16.466 1.00 0.00 H new ATOM 0 HA HIS A 55 12.162 34.601 17.030 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.098 33.502 17.771 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.936 32.202 16.607 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.237 32.500 15.154 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.848 36.634 14.284 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.218 34.532 13.850 1.00 0.00 H new ATOM 927 N TYR A 56 11.887 35.133 14.635 1.00 0.00 N ATOM 928 CA TYR A 56 11.629 35.471 13.240 1.00 0.00 C ATOM 929 C TYR A 56 12.915 35.424 12.421 1.00 0.00 C ATOM 930 O TYR A 56 13.783 36.287 12.555 1.00 0.00 O ATOM 931 CB TYR A 56 10.997 36.860 13.139 1.00 0.00 C ATOM 932 CG TYR A 56 9.704 36.996 13.910 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.489 36.646 13.335 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.698 37.472 15.216 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.305 36.769 14.036 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.519 37.596 15.925 1.00 0.00 C ATOM 937 CZ TYR A 56 7.325 37.244 15.331 1.00 0.00 C ATOM 938 OH TYR A 56 6.148 37.366 16.033 1.00 0.00 O ATOM 0 H TYR A 56 11.873 35.930 15.272 1.00 0.00 H new ATOM 0 HA TYR A 56 10.936 34.733 12.836 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.708 37.601 13.505 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.810 37.089 12.090 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.470 36.271 12.322 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.631 37.750 15.684 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.369 36.495 13.573 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.532 37.967 16.939 1.00 0.00 H new ATOM 0 HH TYR A 56 6.346 37.479 16.986 1.00 0.00 H new ATOM 948 N VAL A 57 13.031 34.408 11.572 1.00 0.00 N ATOM 949 CA VAL A 57 14.209 34.247 10.728 1.00 0.00 C ATOM 950 C VAL A 57 14.384 35.440 9.795 1.00 0.00 C ATOM 951 O VAL A 57 15.505 35.853 9.502 1.00 0.00 O ATOM 952 CB VAL A 57 14.127 32.959 9.888 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.353 32.821 8.999 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.973 31.744 10.790 1.00 0.00 C ATOM 0 H VAL A 57 12.323 33.684 11.450 1.00 0.00 H new ATOM 0 HA VAL A 57 15.069 34.182 11.395 1.00 0.00 H new ATOM 0 HB VAL A 57 13.248 33.021 9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.277 31.905 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.414 33.677 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.249 32.782 9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.917 30.843 10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.831 31.676 11.459 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.061 31.841 11.379 1.00 0.00 H new ATOM 964 N ASN A 58 13.266 35.989 9.330 1.00 0.00 N ATOM 965 CA ASN A 58 13.295 37.135 8.429 1.00 0.00 C ATOM 966 C ASN A 58 13.861 38.366 9.132 1.00 0.00 C ATOM 967 O ASN A 58 14.356 39.290 8.486 1.00 0.00 O ATOM 968 CB ASN A 58 11.889 37.434 7.905 1.00 0.00 C ATOM 969 CG ASN A 58 11.907 38.049 6.519 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.431 39.166 6.317 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.459 37.321 5.556 1.00 0.00 N ATOM 0 H ASN A 58 12.329 35.659 9.562 1.00 0.00 H new ATOM 0 HA ASN A 58 13.944 36.888 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.309 36.512 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.384 38.112 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.501 37.683 4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.841 36.400 5.769 1.00 0.00 H new ATOM 978 N TYR A 59 13.783 38.371 10.458 1.00 0.00 N ATOM 979 CA TYR A 59 14.285 39.488 11.249 1.00 0.00 C ATOM 980 C TYR A 59 15.443 39.048 12.139 1.00 0.00 C ATOM 981 O TYR A 59 15.889 37.903 12.076 1.00 0.00 O ATOM 982 CB TYR A 59 13.164 40.078 12.106 1.00 0.00 C ATOM 983 CG TYR A 59 12.123 40.830 11.307 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.346 42.138 10.895 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.916 40.232 10.964 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.398 42.829 10.166 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.963 40.915 10.234 1.00 0.00 C ATOM 988 CZ TYR A 59 10.208 42.213 9.838 1.00 0.00 C ATOM 989 OH TYR A 59 9.261 42.897 9.111 1.00 0.00 O ATOM 0 H TYR A 59 13.377 37.614 11.008 1.00 0.00 H new ATOM 0 HA TYR A 59 14.648 40.252 10.562 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.676 39.273 12.656 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.599 40.751 12.845 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.277 42.623 11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.720 39.216 11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.587 43.846 9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.031 40.435 9.975 1.00 0.00 H new ATOM 0 HH TYR A 59 8.482 42.320 8.964 1.00 0.00 H new ATOM 999 N ASN A 60 15.925 39.968 12.969 1.00 0.00 N ATOM 1000 CA ASN A 60 17.032 39.676 13.873 1.00 0.00 C ATOM 1001 C ASN A 60 16.550 38.887 15.086 1.00 0.00 C ATOM 1002 O ASN A 60 15.349 38.690 15.276 1.00 0.00 O ATOM 1003 CB ASN A 60 17.701 40.975 14.329 1.00 0.00 C ATOM 1004 CG ASN A 60 18.012 41.903 13.170 1.00 0.00 C ATOM 1005 OD1 ASN A 60 17.757 43.105 13.238 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.566 41.346 12.099 1.00 0.00 N ATOM 0 H ASN A 60 15.567 40.921 13.034 1.00 0.00 H new ATOM 0 HA ASN A 60 17.759 39.070 13.333 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.049 41.487 15.036 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.623 40.739 14.859 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.798 41.920 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.760 40.345 12.087 1.00 0.00 H new ATOM 1013 N LYS A 61 17.494 38.435 15.905 1.00 0.00 N ATOM 1014 CA LYS A 61 17.168 37.668 17.101 1.00 0.00 C ATOM 1015 C LYS A 61 16.530 38.560 18.162 1.00 0.00 C ATOM 1016 O LYS A 61 16.018 38.072 19.170 1.00 0.00 O ATOM 1017 CB LYS A 61 18.426 37.006 17.666 1.00 0.00 C ATOM 1018 CG LYS A 61 19.419 37.991 18.258 1.00 0.00 C ATOM 1019 CD LYS A 61 19.382 37.975 19.777 1.00 0.00 C ATOM 1020 CE LYS A 61 19.780 39.324 20.357 1.00 0.00 C ATOM 1021 NZ LYS A 61 18.622 40.022 20.980 1.00 0.00 N ATOM 0 H LYS A 61 18.492 38.587 15.762 1.00 0.00 H new ATOM 0 HA LYS A 61 16.452 36.895 16.822 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.135 36.290 18.435 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.916 36.441 16.873 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.424 37.746 17.915 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.195 38.995 17.898 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.379 37.714 20.115 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.056 37.204 20.151 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.563 39.182 21.102 1.00 0.00 H new ATOM 0 HE3 LYS A 61 20.200 39.949 19.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.456 40.924 20.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.774 39.425 20.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.826 40.205 21.983 1.00 0.00 H new ATOM 1035 N ARG A 62 16.562 39.867 17.927 1.00 0.00 N ATOM 1036 CA ARG A 62 15.987 40.826 18.862 1.00 0.00 C ATOM 1037 C ARG A 62 14.474 40.917 18.686 1.00 0.00 C ATOM 1038 O ARG A 62 13.800 41.666 19.394 1.00 0.00 O ATOM 1039 CB ARG A 62 16.618 42.206 18.664 1.00 0.00 C ATOM 1040 CG ARG A 62 16.502 42.730 17.242 1.00 0.00 C ATOM 1041 CD ARG A 62 16.304 44.238 17.219 1.00 0.00 C ATOM 1042 NE ARG A 62 15.041 44.633 17.838 1.00 0.00 N ATOM 1043 CZ ARG A 62 14.777 45.870 18.243 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.683 46.827 18.097 1.00 0.00 N ATOM 1045 NH2 ARG A 62 13.605 46.153 18.797 1.00 0.00 N ATOM 0 H ARG A 62 16.980 40.286 17.097 1.00 0.00 H new ATOM 0 HA ARG A 62 16.198 40.480 19.874 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.143 42.914 19.343 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.671 42.157 18.940 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.401 42.471 16.683 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.665 42.244 16.741 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.130 44.720 17.741 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.329 44.591 16.188 1.00 0.00 H new ATOM 0 HE ARG A 62 14.323 43.920 17.966 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.586 46.614 17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.477 47.776 18.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.905 45.420 18.912 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.404 47.104 19.108 1.00 0.00 H new ATOM 1059 N LEU A 63 13.947 40.151 17.737 1.00 0.00 N ATOM 1060 CA LEU A 63 12.514 40.145 17.467 1.00 0.00 C ATOM 1061 C LEU A 63 11.841 38.944 18.123 1.00 0.00 C ATOM 1062 O LEU A 63 10.638 38.960 18.386 1.00 0.00 O ATOM 1063 CB LEU A 63 12.259 40.126 15.959 1.00 0.00 C ATOM 1064 CG LEU A 63 11.058 40.936 15.470 1.00 0.00 C ATOM 1065 CD1 LEU A 63 11.432 42.401 15.308 1.00 0.00 C ATOM 1066 CD2 LEU A 63 10.530 40.370 14.160 1.00 0.00 C ATOM 0 H LEU A 63 14.491 39.526 17.142 1.00 0.00 H new ATOM 0 HA LEU A 63 12.086 41.054 17.890 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.151 40.497 15.455 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.125 39.090 15.647 1.00 0.00 H new ATOM 0 HG LEU A 63 10.268 40.865 16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.565 42.962 14.959 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.761 42.801 16.267 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.239 42.492 14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.675 40.959 13.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.314 40.410 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.221 39.335 14.309 1.00 0.00 H new ATOM 1078 N ASP A 64 12.625 37.904 18.387 1.00 0.00 N ATOM 1079 CA ASP A 64 12.106 36.695 19.016 1.00 0.00 C ATOM 1080 C ASP A 64 11.326 37.033 20.283 1.00 0.00 C ATOM 1081 O ASP A 64 11.493 38.109 20.856 1.00 0.00 O ATOM 1082 CB ASP A 64 13.250 35.736 19.347 1.00 0.00 C ATOM 1083 CG ASP A 64 14.186 36.293 20.402 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.045 37.483 20.750 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.061 35.539 20.877 1.00 0.00 O ATOM 0 H ASP A 64 13.622 37.874 18.175 1.00 0.00 H new ATOM 0 HA ASP A 64 11.428 36.211 18.312 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.837 34.789 19.695 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.815 35.523 18.440 1.00 0.00 H new ATOM 1090 N GLU A 65 10.474 36.108 20.712 1.00 0.00 N ATOM 1091 CA GLU A 65 9.667 36.310 21.910 1.00 0.00 C ATOM 1092 C GLU A 65 8.950 35.023 22.306 1.00 0.00 C ATOM 1093 O GLU A 65 9.114 33.985 21.664 1.00 0.00 O ATOM 1094 CB GLU A 65 8.646 37.427 21.681 1.00 0.00 C ATOM 1095 CG GLU A 65 7.698 37.158 20.525 1.00 0.00 C ATOM 1096 CD GLU A 65 6.733 38.302 20.284 1.00 0.00 C ATOM 1097 OE1 GLU A 65 7.203 39.433 20.041 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.508 38.067 20.338 1.00 0.00 O ATOM 0 H GLU A 65 10.324 35.212 20.248 1.00 0.00 H new ATOM 0 HA GLU A 65 10.334 36.598 22.723 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.064 37.568 22.592 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.177 38.360 21.495 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.277 36.979 19.619 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.133 36.248 20.727 1.00 0.00 H new ATOM 1105 N TRP A 66 8.155 35.099 23.367 1.00 0.00 N ATOM 1106 CA TRP A 66 7.412 33.940 23.850 1.00 0.00 C ATOM 1107 C TRP A 66 5.961 33.990 23.384 1.00 0.00 C ATOM 1108 O TRP A 66 5.182 34.826 23.841 1.00 0.00 O ATOM 1109 CB TRP A 66 7.469 33.872 25.377 1.00 0.00 C ATOM 1110 CG TRP A 66 8.865 33.822 25.918 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.692 34.884 26.152 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.598 32.650 26.291 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.895 34.442 26.647 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.863 33.076 26.744 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.309 31.283 26.290 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.834 32.183 27.187 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.274 30.398 26.730 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.523 30.850 27.175 1.00 0.00 C ATOM 0 H TRP A 66 8.008 35.950 23.909 1.00 0.00 H new ATOM 0 HA TRP A 66 7.875 33.044 23.436 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.957 34.741 25.791 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.924 32.990 25.715 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.438 35.918 25.974 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.685 35.035 26.901 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.348 30.925 25.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.798 32.529 27.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.062 29.339 26.731 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.255 30.133 27.515 1.00 0.00 H new ATOM 1129 N ILE A 67 5.606 33.091 22.473 1.00 0.00 N ATOM 1130 CA ILE A 67 4.247 33.033 21.947 1.00 0.00 C ATOM 1131 C ILE A 67 3.481 31.851 22.532 1.00 0.00 C ATOM 1132 O ILE A 67 4.077 30.870 22.980 1.00 0.00 O ATOM 1133 CB ILE A 67 4.242 32.924 20.411 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.994 31.668 19.965 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.862 34.167 19.790 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.696 31.260 18.539 1.00 0.00 C ATOM 0 H ILE A 67 6.240 32.393 22.084 1.00 0.00 H new ATOM 0 HA ILE A 67 3.756 33.961 22.239 1.00 0.00 H new ATOM 0 HB ILE A 67 3.210 32.847 20.070 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.065 31.840 20.069 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.737 30.845 20.631 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.851 34.075 18.704 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.289 35.046 20.085 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.891 34.272 20.135 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.263 30.363 18.291 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.630 31.056 18.434 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.979 32.067 17.863 1.00 0.00 H new ATOM 1148 N THR A 68 2.156 31.949 22.524 1.00 0.00 N ATOM 1149 CA THR A 68 1.307 30.888 23.052 1.00 0.00 C ATOM 1150 C THR A 68 0.738 30.029 21.929 1.00 0.00 C ATOM 1151 O THR A 68 0.922 30.328 20.749 1.00 0.00 O ATOM 1152 CB THR A 68 0.144 31.461 23.884 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.212 32.760 23.398 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.524 31.551 25.355 1.00 0.00 C ATOM 0 H THR A 68 1.647 32.753 22.157 1.00 0.00 H new ATOM 0 HA THR A 68 1.935 30.271 23.695 1.00 0.00 H new ATOM 0 HB THR A 68 -0.709 30.790 23.786 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.953 33.117 23.931 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.313 31.958 25.923 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.767 30.557 25.730 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.390 32.203 25.468 1.00 0.00 H new ATOM 1162 N THR A 69 0.045 28.958 22.303 1.00 0.00 N ATOM 1163 CA THR A 69 -0.551 28.054 21.327 1.00 0.00 C ATOM 1164 C THR A 69 -1.449 28.810 20.354 1.00 0.00 C ATOM 1165 O THR A 69 -1.405 28.577 19.146 1.00 0.00 O ATOM 1166 CB THR A 69 -1.375 26.949 22.015 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.537 27.515 22.630 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.542 26.225 23.062 1.00 0.00 C ATOM 0 H THR A 69 -0.117 28.695 23.275 1.00 0.00 H new ATOM 0 HA THR A 69 0.271 27.596 20.777 1.00 0.00 H new ATOM 0 HB THR A 69 -1.681 26.229 21.256 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.056 26.806 23.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.145 25.449 23.534 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.326 25.770 22.585 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.209 26.936 23.818 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.260 29.716 20.888 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.168 30.508 20.065 1.00 0.00 C ATOM 1178 C ASP A 70 -2.390 31.384 19.088 1.00 0.00 C ATOM 1179 O ASP A 70 -2.949 31.894 18.116 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.063 31.379 20.949 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.323 31.825 20.234 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.254 32.805 19.464 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.379 31.193 20.446 1.00 0.00 O ATOM 0 H ASP A 70 -2.308 29.921 21.886 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.793 29.822 19.493 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.335 30.823 21.846 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.504 32.256 21.275 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.099 31.556 19.352 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.246 32.372 18.498 1.00 0.00 C ATOM 1190 C ARG A 71 0.566 31.498 17.546 1.00 0.00 C ATOM 1191 O ARG A 71 1.560 31.945 16.972 1.00 0.00 O ATOM 1192 CB ARG A 71 0.694 33.228 19.348 1.00 0.00 C ATOM 1193 CG ARG A 71 -0.024 34.278 20.180 1.00 0.00 C ATOM 1194 CD ARG A 71 0.896 35.438 20.529 1.00 0.00 C ATOM 1195 NE ARG A 71 0.306 36.323 21.529 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.735 37.558 21.762 1.00 0.00 C ATOM 1197 NH1 ARG A 71 1.753 38.052 21.070 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.146 38.303 22.689 1.00 0.00 N ATOM 0 H ARG A 71 -0.621 31.140 20.151 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.887 33.026 17.906 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.263 32.578 20.012 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.412 33.723 18.694 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.888 34.651 19.630 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.401 33.823 21.096 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.843 35.049 20.903 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.119 36.008 19.627 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.479 35.974 22.079 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.209 37.483 20.357 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.080 39.001 21.251 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.637 37.927 23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.477 39.251 22.867 1.00 0.00 H new ATOM 1212 N ILE A 72 0.137 30.251 17.385 1.00 0.00 N ATOM 1213 CA ILE A 72 0.824 29.315 16.504 1.00 0.00 C ATOM 1214 C ILE A 72 -0.051 28.938 15.313 1.00 0.00 C ATOM 1215 O ILE A 72 -1.260 28.759 15.451 1.00 0.00 O ATOM 1216 CB ILE A 72 1.233 28.033 17.252 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.192 28.368 18.396 1.00 0.00 C ATOM 1218 CG2 ILE A 72 1.871 27.040 16.292 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.400 27.224 19.364 1.00 0.00 C ATOM 0 H ILE A 72 -0.683 29.865 17.853 1.00 0.00 H new ATOM 0 HA ILE A 72 1.722 29.819 16.147 1.00 0.00 H new ATOM 0 HB ILE A 72 0.339 27.576 17.675 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.156 28.660 17.978 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.807 29.230 18.942 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.155 26.139 16.836 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.158 26.782 15.509 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.758 27.487 15.843 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.091 27.532 20.149 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.445 26.947 19.810 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.814 26.368 18.832 1.00 0.00 H new ATOM 1231 N ASN A 73 0.570 28.818 14.144 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.152 28.461 12.928 1.00 0.00 C ATOM 1233 C ASN A 73 0.017 26.979 12.610 1.00 0.00 C ATOM 1234 O ASN A 73 1.070 26.551 12.136 1.00 0.00 O ATOM 1235 CB ASN A 73 0.340 29.306 11.751 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.567 29.194 10.540 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.658 28.137 9.916 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -1.242 30.287 10.203 1.00 0.00 N ATOM 0 H ASN A 73 1.571 28.963 14.013 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.211 28.661 13.092 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.404 30.350 12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.347 28.992 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.867 30.272 9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.135 31.141 10.750 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.026 26.200 12.874 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.994 24.764 12.616 1.00 0.00 C ATOM 1247 C LEU A 74 -1.601 24.442 11.254 1.00 0.00 C ATOM 1248 O LEU A 74 -2.057 23.324 11.016 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.748 24.012 13.714 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.046 23.922 15.070 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.983 23.343 16.118 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.219 23.083 14.961 1.00 0.00 C ATOM 0 H LEU A 74 -1.905 26.538 13.267 1.00 0.00 H new ATOM 0 HA LEU A 74 0.048 24.443 12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.715 24.495 13.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.947 23.000 13.362 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.765 24.928 15.380 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.467 23.286 17.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.860 23.983 16.216 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.295 22.344 15.815 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.705 23.030 15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.039 22.077 14.629 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.898 23.540 14.241 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.601 25.429 10.365 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.149 25.250 9.025 1.00 0.00 C ATOM 1266 C ASP A 75 -1.036 25.000 8.012 1.00 0.00 C ATOM 1267 O ASP A 75 -1.265 24.417 6.952 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.962 26.478 8.615 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.457 26.241 8.708 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.881 25.468 9.594 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.202 26.828 7.897 1.00 0.00 O ATOM 0 H ASP A 75 -1.228 26.361 10.547 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.804 24.379 9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.690 27.319 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.704 26.756 7.593 1.00 0.00 H new ATOM 1276 N LYS A 76 0.171 25.446 8.344 1.00 0.00 N ATOM 1277 CA LYS A 76 1.321 25.271 7.465 1.00 0.00 C ATOM 1278 C LYS A 76 2.177 24.093 7.917 1.00 0.00 C ATOM 1279 O LYS A 76 2.321 23.841 9.113 1.00 0.00 O ATOM 1280 CB LYS A 76 2.165 26.547 7.436 1.00 0.00 C ATOM 1281 CG LYS A 76 1.767 27.515 6.335 1.00 0.00 C ATOM 1282 CD LYS A 76 0.853 28.610 6.859 1.00 0.00 C ATOM 1283 CE LYS A 76 1.527 29.972 6.807 1.00 0.00 C ATOM 1284 NZ LYS A 76 1.335 30.636 5.488 1.00 0.00 N ATOM 0 H LYS A 76 0.378 25.932 9.217 1.00 0.00 H new ATOM 0 HA LYS A 76 0.951 25.064 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.080 27.051 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.213 26.276 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.662 27.963 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.264 26.971 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.063 28.634 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.565 28.384 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.123 30.607 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.593 29.857 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.809 31.562 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.743 30.042 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.319 30.769 5.311 1.00 0.00 H new ATOM 1298 N GLU A 77 2.744 23.375 6.952 1.00 0.00 N ATOM 1299 CA GLU A 77 3.587 22.223 7.253 1.00 0.00 C ATOM 1300 C GLU A 77 4.710 22.607 8.212 1.00 0.00 C ATOM 1301 O GLU A 77 5.201 23.735 8.192 1.00 0.00 O ATOM 1302 CB GLU A 77 4.177 21.645 5.965 1.00 0.00 C ATOM 1303 CG GLU A 77 3.133 21.318 4.910 1.00 0.00 C ATOM 1304 CD GLU A 77 3.506 20.110 4.074 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.712 19.795 3.991 1.00 0.00 O ATOM 1306 OE2 GLU A 77 2.592 19.478 3.503 1.00 0.00 O ATOM 0 H GLU A 77 2.635 23.570 5.957 1.00 0.00 H new ATOM 0 HA GLU A 77 2.966 21.466 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.890 22.358 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.735 20.740 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.175 21.136 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.000 22.180 4.257 1.00 0.00 H new ATOM 1313 N VAL A 78 5.112 21.658 9.053 1.00 0.00 N ATOM 1314 CA VAL A 78 6.177 21.895 10.020 1.00 0.00 C ATOM 1315 C VAL A 78 7.502 21.324 9.529 1.00 0.00 C ATOM 1316 O VAL A 78 7.549 20.229 8.966 1.00 0.00 O ATOM 1317 CB VAL A 78 5.839 21.275 11.389 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.992 21.471 12.362 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.556 21.875 11.943 1.00 0.00 C ATOM 0 H VAL A 78 4.716 20.719 9.084 1.00 0.00 H new ATOM 0 HA VAL A 78 6.270 22.975 10.131 1.00 0.00 H new ATOM 0 HB VAL A 78 5.684 20.204 11.256 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.736 21.027 13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.887 20.990 11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.180 22.537 12.493 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.332 21.426 12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.680 22.951 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.735 21.679 11.253 1.00 0.00 H new ATOM 1329 N LEU A 79 8.578 22.072 9.745 1.00 0.00 N ATOM 1330 CA LEU A 79 9.907 21.641 9.324 1.00 0.00 C ATOM 1331 C LEU A 79 10.695 21.078 10.503 1.00 0.00 C ATOM 1332 O LEU A 79 10.803 21.715 11.551 1.00 0.00 O ATOM 1333 CB LEU A 79 10.670 22.810 8.698 1.00 0.00 C ATOM 1334 CG LEU A 79 10.193 23.258 7.315 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.054 24.400 6.799 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.212 22.090 6.340 1.00 0.00 C ATOM 0 H LEU A 79 8.557 22.980 10.209 1.00 0.00 H new ATOM 0 HA LEU A 79 9.788 20.853 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.609 23.662 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.722 22.534 8.626 1.00 0.00 H new ATOM 0 HG LEU A 79 9.167 23.614 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.701 24.706 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.989 25.244 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.090 24.070 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.870 22.427 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.227 21.703 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.552 21.302 6.703 1.00 0.00 H new ATOM 1348 N TYR A 80 11.245 19.882 10.323 1.00 0.00 N ATOM 1349 CA TYR A 80 12.023 19.234 11.371 1.00 0.00 C ATOM 1350 C TYR A 80 13.411 18.854 10.864 1.00 0.00 C ATOM 1351 O TYR A 80 13.639 18.694 9.664 1.00 0.00 O ATOM 1352 CB TYR A 80 11.295 17.988 11.879 1.00 0.00 C ATOM 1353 CG TYR A 80 10.081 18.299 12.725 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.218 18.760 14.029 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.797 18.131 12.221 1.00 0.00 C ATOM 1356 CE1 TYR A 80 9.112 19.044 14.805 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.685 18.414 12.990 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.848 18.871 14.282 1.00 0.00 C ATOM 1359 OH TYR A 80 6.742 19.153 15.052 1.00 0.00 O ATOM 0 H TYR A 80 11.166 19.342 9.461 1.00 0.00 H new ATOM 0 HA TYR A 80 12.137 19.941 12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.988 17.384 11.025 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.990 17.384 12.463 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.206 18.898 14.442 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.666 17.773 11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.236 19.400 15.817 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.694 18.278 12.583 1.00 0.00 H new ATOM 0 HH TYR A 80 6.936 18.948 15.991 1.00 0.00 H new ATOM 1369 N PRO A 81 14.361 18.705 11.798 1.00 0.00 N ATOM 1370 CA PRO A 81 15.743 18.340 11.471 1.00 0.00 C ATOM 1371 C PRO A 81 15.863 16.902 10.980 1.00 0.00 C ATOM 1372 O PRO A 81 15.006 16.064 11.264 1.00 0.00 O ATOM 1373 CB PRO A 81 16.480 18.514 12.801 1.00 0.00 C ATOM 1374 CG PRO A 81 15.429 18.337 13.843 1.00 0.00 C ATOM 1375 CD PRO A 81 14.160 18.879 13.246 1.00 0.00 C ATOM 0 HA PRO A 81 16.145 18.950 10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.276 17.777 12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.945 19.498 12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.317 17.286 14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.690 18.872 14.756 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.285 18.333 13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.009 19.926 13.507 1.00 0.00 H new