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 114:sc= -0.345 USER MOD Set 1.2: A 80 TYR OH : rot -30:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -0.0543 (180deg=-0.225) USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= -1.4 (180deg=-3.86!) USER MOD Single : A 16 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.6!) 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 : amide:sc= -0.571 K(o=-0.57,f=-2.1) USER MOD Single : A 27 CYS SG : rot -68:sc= -0.368 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= -0.051 (180deg=-0.886) 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= -0.152 K(o=-0.15,f=-1.4) USER MOD Single : A 45 THR OG1 : rot 64:sc= 0.345 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.0892 (180deg=-0.488) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -160:sc= 0.339 USER MOD Single : A 55 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 56 TYR OH : rot 15:sc= -1.59 USER MOD Single : A 58 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 60 ASN : amide:sc= -0.304 X(o=-0.3,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= -0.0254 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 73 ASN : amide:sc= -0.207 K(o=-0.21,f=-6.4!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.585) USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.687 17.937 6.859 1.00 0.00 N ATOM 174 CA ILE A 11 11.454 17.160 6.820 1.00 0.00 C ATOM 175 C ILE A 11 10.232 18.059 6.976 1.00 0.00 C ATOM 176 O ILE A 11 10.170 18.887 7.884 1.00 0.00 O ATOM 177 CB ILE A 11 11.431 16.086 7.924 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.610 15.126 7.756 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.113 15.327 7.897 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.067 14.497 9.054 1.00 0.00 C ATOM 0 HA ILE A 11 11.420 16.671 5.847 1.00 0.00 H new ATOM 0 HB ILE A 11 11.524 16.578 8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.329 14.337 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.446 15.664 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.112 14.572 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.289 16.022 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.992 14.843 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.906 13.828 8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.379 15.278 9.747 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.246 13.930 9.493 1.00 0.00 H new ATOM 192 N ALA A 12 9.262 17.889 6.083 1.00 0.00 N ATOM 193 CA ALA A 12 8.040 18.683 6.123 1.00 0.00 C ATOM 194 C ALA A 12 6.839 17.822 6.500 1.00 0.00 C ATOM 195 O ALA A 12 6.455 16.915 5.762 1.00 0.00 O ATOM 196 CB ALA A 12 7.806 19.360 4.781 1.00 0.00 C ATOM 0 H ALA A 12 9.299 17.209 5.324 1.00 0.00 H new ATOM 0 HA ALA A 12 8.159 19.450 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.890 19.949 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.647 20.014 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.712 18.603 4.003 1.00 0.00 H new ATOM 202 N LYS A 13 6.249 18.112 7.655 1.00 0.00 N ATOM 203 CA LYS A 13 5.090 17.365 8.131 1.00 0.00 C ATOM 204 C LYS A 13 4.037 18.305 8.709 1.00 0.00 C ATOM 205 O LYS A 13 4.363 19.358 9.258 1.00 0.00 O ATOM 206 CB LYS A 13 5.515 16.345 9.190 1.00 0.00 C ATOM 207 CG LYS A 13 5.810 16.964 10.546 1.00 0.00 C ATOM 208 CD LYS A 13 6.368 15.937 11.517 1.00 0.00 C ATOM 209 CE LYS A 13 7.756 15.474 11.103 1.00 0.00 C ATOM 210 NZ LYS A 13 7.728 14.119 10.485 1.00 0.00 N ATOM 0 H LYS A 13 6.554 18.859 8.279 1.00 0.00 H new ATOM 0 HA LYS A 13 4.655 16.838 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.726 15.601 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.402 15.818 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.523 17.780 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.897 17.396 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.410 16.367 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.697 15.079 11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.181 16.187 10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.410 15.462 11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.219 13.444 11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.741 13.816 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.204 14.149 9.561 1.00 0.00 H new ATOM 224 N LYS A 14 2.772 17.918 8.583 1.00 0.00 N ATOM 225 CA LYS A 14 1.670 18.724 9.095 1.00 0.00 C ATOM 226 C LYS A 14 1.189 18.195 10.442 1.00 0.00 C ATOM 227 O LYS A 14 0.551 17.145 10.515 1.00 0.00 O ATOM 228 CB LYS A 14 0.511 18.733 8.096 1.00 0.00 C ATOM 229 CG LYS A 14 0.644 19.798 7.020 1.00 0.00 C ATOM 230 CD LYS A 14 -0.148 21.047 7.371 1.00 0.00 C ATOM 231 CE LYS A 14 -0.783 21.669 6.137 1.00 0.00 C ATOM 232 NZ LYS A 14 0.153 22.592 5.438 1.00 0.00 N ATOM 0 H LYS A 14 2.484 17.050 8.130 1.00 0.00 H new ATOM 0 HA LYS A 14 2.032 19.743 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.444 17.754 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.423 18.889 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.695 20.057 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.294 19.400 6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.924 20.796 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.509 21.774 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.095 20.880 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.682 22.214 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.250 23.551 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.065 22.606 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.298 22.265 4.461 1.00 0.00 H new ATOM 246 N ILE A 15 1.499 18.929 11.506 1.00 0.00 N ATOM 247 CA ILE A 15 1.095 18.535 12.850 1.00 0.00 C ATOM 248 C ILE A 15 -0.114 19.337 13.318 1.00 0.00 C ATOM 249 O ILE A 15 -0.512 20.309 12.679 1.00 0.00 O ATOM 250 CB ILE A 15 2.243 18.721 13.859 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.674 20.188 13.910 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.421 17.830 13.493 1.00 0.00 C ATOM 253 CD1 ILE A 15 2.894 20.705 15.315 1.00 0.00 C ATOM 0 H ILE A 15 2.029 19.800 11.463 1.00 0.00 H new ATOM 0 HA ILE A 15 0.830 17.479 12.804 1.00 0.00 H new ATOM 0 HB ILE A 15 1.887 18.431 14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.595 20.308 13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.915 20.799 13.422 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.224 17.973 14.216 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.105 16.787 13.504 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.779 18.091 12.497 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.198 21.751 15.274 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.968 20.618 15.884 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.675 20.119 15.800 1.00 0.00 H new ATOM 265 N ASN A 16 -0.693 18.922 14.440 1.00 0.00 N ATOM 266 CA ASN A 16 -1.857 19.603 14.996 1.00 0.00 C ATOM 267 C ASN A 16 -1.751 19.711 16.514 1.00 0.00 C ATOM 268 O ASN A 16 -2.749 19.923 17.203 1.00 0.00 O ATOM 269 CB ASN A 16 -3.139 18.859 14.615 1.00 0.00 C ATOM 270 CG ASN A 16 -3.617 19.209 13.219 1.00 0.00 C ATOM 271 OD1 ASN A 16 -2.898 19.016 12.238 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.836 19.726 13.123 1.00 0.00 N ATOM 0 H ASN A 16 -0.376 18.118 14.982 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.891 20.610 14.580 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.965 17.785 14.678 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.922 19.098 15.335 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.211 19.981 12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.397 19.869 13.963 1.00 0.00 H new ATOM 279 N SER A 17 -0.534 19.563 17.029 1.00 0.00 N ATOM 280 CA SER A 17 -0.297 19.641 18.466 1.00 0.00 C ATOM 281 C SER A 17 0.997 20.392 18.763 1.00 0.00 C ATOM 282 O SER A 17 2.052 20.076 18.212 1.00 0.00 O ATOM 283 CB SER A 17 -0.236 18.237 19.070 1.00 0.00 C ATOM 284 OG SER A 17 -1.119 17.354 18.400 1.00 0.00 O ATOM 0 H SER A 17 0.303 19.388 16.472 1.00 0.00 H new ATOM 0 HA SER A 17 -1.125 20.188 18.917 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.783 17.855 19.007 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.495 18.281 20.128 1.00 0.00 H new ATOM 0 HG SER A 17 -1.060 16.463 18.804 1.00 0.00 H new ATOM 290 N VAL A 18 0.908 21.388 19.638 1.00 0.00 N ATOM 291 CA VAL A 18 2.071 22.184 20.011 1.00 0.00 C ATOM 292 C VAL A 18 3.043 21.374 20.862 1.00 0.00 C ATOM 293 O VAL A 18 4.202 21.752 21.030 1.00 0.00 O ATOM 294 CB VAL A 18 1.660 23.450 20.786 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.641 24.254 19.994 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.111 23.081 22.156 1.00 0.00 C ATOM 0 H VAL A 18 0.042 21.663 20.102 1.00 0.00 H new ATOM 0 HA VAL A 18 2.563 22.478 19.084 1.00 0.00 H new ATOM 0 HB VAL A 18 2.545 24.070 20.929 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.363 25.145 20.558 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.074 24.550 19.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.245 23.645 19.817 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.826 23.987 22.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.238 22.440 22.037 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.876 22.551 22.724 1.00 0.00 H new ATOM 306 N ASP A 19 2.562 20.256 21.397 1.00 0.00 N ATOM 307 CA ASP A 19 3.388 19.390 22.230 1.00 0.00 C ATOM 308 C ASP A 19 4.577 18.851 21.441 1.00 0.00 C ATOM 309 O ASP A 19 5.685 18.742 21.966 1.00 0.00 O ATOM 310 CB ASP A 19 2.556 18.230 22.779 1.00 0.00 C ATOM 311 CG ASP A 19 1.633 18.661 23.902 1.00 0.00 C ATOM 312 OD1 ASP A 19 1.281 19.858 23.955 1.00 0.00 O ATOM 313 OD2 ASP A 19 1.262 17.800 24.727 1.00 0.00 O ATOM 0 H ASP A 19 1.604 19.929 21.268 1.00 0.00 H new ATOM 0 HA ASP A 19 3.766 19.982 23.064 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.965 17.797 21.972 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.223 17.447 23.141 1.00 0.00 H new ATOM 318 N ASP A 20 4.339 18.513 20.178 1.00 0.00 N ATOM 319 CA ASP A 20 5.390 17.985 19.317 1.00 0.00 C ATOM 320 C ASP A 20 6.225 19.115 18.723 1.00 0.00 C ATOM 321 O ASP A 20 6.365 19.222 17.504 1.00 0.00 O ATOM 322 CB ASP A 20 4.783 17.139 18.196 1.00 0.00 C ATOM 323 CG ASP A 20 4.511 15.712 18.629 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.406 15.450 19.147 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.405 14.858 18.452 1.00 0.00 O ATOM 0 H ASP A 20 3.427 18.595 19.728 1.00 0.00 H new ATOM 0 HA ASP A 20 6.042 17.357 19.924 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.852 17.598 17.862 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.460 17.133 17.342 1.00 0.00 H new ATOM 330 N ILE A 21 6.777 19.956 19.592 1.00 0.00 N ATOM 331 CA ILE A 21 7.598 21.077 19.153 1.00 0.00 C ATOM 332 C ILE A 21 8.950 21.077 19.857 1.00 0.00 C ATOM 333 O ILE A 21 9.021 21.079 21.087 1.00 0.00 O ATOM 334 CB ILE A 21 6.896 22.424 19.412 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.598 22.510 18.607 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.822 23.579 19.061 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.814 23.779 18.861 1.00 0.00 C ATOM 0 H ILE A 21 6.670 19.882 20.604 1.00 0.00 H new ATOM 0 HA ILE A 21 7.750 20.956 18.080 1.00 0.00 H new ATOM 0 HB ILE A 21 6.649 22.491 20.471 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.833 22.444 17.545 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.972 21.651 18.849 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.312 24.524 19.249 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.721 23.523 19.674 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.096 23.518 18.008 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.906 23.773 18.258 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.548 23.837 19.916 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.422 24.643 18.592 1.00 0.00 H new ATOM 349 N ILE A 22 10.021 21.076 19.070 1.00 0.00 N ATOM 350 CA ILE A 22 11.371 21.079 19.619 1.00 0.00 C ATOM 351 C ILE A 22 12.118 22.352 19.236 1.00 0.00 C ATOM 352 O ILE A 22 11.556 23.246 18.601 1.00 0.00 O ATOM 353 CB ILE A 22 12.178 19.859 19.135 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.203 19.811 17.606 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.589 18.576 19.701 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.255 18.879 17.048 1.00 0.00 C ATOM 0 H ILE A 22 9.980 21.073 18.051 1.00 0.00 H new ATOM 0 HA ILE A 22 11.270 21.032 20.703 1.00 0.00 H new ATOM 0 HB ILE A 22 13.203 19.954 19.494 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.223 19.498 17.244 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.379 20.816 17.222 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.170 17.723 19.350 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.618 18.612 20.790 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.556 18.473 19.369 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.215 18.896 15.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.241 19.203 17.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.068 17.865 17.403 1.00 0.00 H new ATOM 368 N ILE A 23 13.386 22.428 19.625 1.00 0.00 N ATOM 369 CA ILE A 23 14.210 23.591 19.319 1.00 0.00 C ATOM 370 C ILE A 23 14.540 23.655 17.832 1.00 0.00 C ATOM 371 O ILE A 23 14.783 24.731 17.285 1.00 0.00 O ATOM 372 CB ILE A 23 15.523 23.577 20.125 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.230 23.706 21.621 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.440 24.699 19.661 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.898 22.389 22.287 1.00 0.00 C ATOM 0 H ILE A 23 13.865 21.698 20.153 1.00 0.00 H new ATOM 0 HA ILE A 23 13.631 24.471 19.598 1.00 0.00 H new ATOM 0 HB ILE A 23 16.028 22.626 19.954 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.096 24.146 22.116 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.397 24.395 21.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.364 24.677 20.239 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.670 24.567 18.604 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.944 25.658 19.807 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.702 22.556 23.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.014 21.957 21.818 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.739 21.704 22.178 1.00 0.00 H new ATOM 387 N LYS A 24 14.545 22.497 17.182 1.00 0.00 N ATOM 388 CA LYS A 24 14.842 22.420 15.756 1.00 0.00 C ATOM 389 C LYS A 24 13.560 22.473 14.930 1.00 0.00 C ATOM 390 O LYS A 24 13.594 22.344 13.706 1.00 0.00 O ATOM 391 CB LYS A 24 15.610 21.135 15.442 1.00 0.00 C ATOM 392 CG LYS A 24 17.052 21.156 15.920 1.00 0.00 C ATOM 393 CD LYS A 24 17.200 20.490 17.278 1.00 0.00 C ATOM 394 CE LYS A 24 18.655 20.175 17.588 1.00 0.00 C ATOM 395 NZ LYS A 24 18.897 20.057 19.053 1.00 0.00 N ATOM 0 H LYS A 24 14.347 21.597 17.620 1.00 0.00 H new ATOM 0 HA LYS A 24 15.460 23.278 15.492 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.095 20.292 15.903 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.595 20.967 14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.684 20.646 15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.401 22.187 15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.795 21.143 18.051 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.615 19.571 17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.938 19.244 17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.292 20.958 17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.900 19.842 19.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.652 20.954 19.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.308 19.293 19.442 1.00 0.00 H new ATOM 409 N CYS A 25 12.434 22.665 15.607 1.00 0.00 N ATOM 410 CA CYS A 25 11.141 22.735 14.935 1.00 0.00 C ATOM 411 C CYS A 25 10.875 24.144 14.415 1.00 0.00 C ATOM 412 O CYS A 25 11.172 25.130 15.088 1.00 0.00 O ATOM 413 CB CYS A 25 10.023 22.311 15.889 1.00 0.00 C ATOM 414 SG CYS A 25 8.359 22.693 15.292 1.00 0.00 S ATOM 0 H CYS A 25 12.390 22.775 16.620 1.00 0.00 H new ATOM 0 HA CYS A 25 11.163 22.052 14.086 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.097 21.238 16.064 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.174 22.802 16.850 1.00 0.00 H new ATOM 0 HG CYS A 25 7.720 21.587 15.051 1.00 0.00 H new ATOM 420 N GLN A 26 10.314 24.230 13.213 1.00 0.00 N ATOM 421 CA GLN A 26 10.010 25.519 12.602 1.00 0.00 C ATOM 422 C GLN A 26 8.543 25.595 12.194 1.00 0.00 C ATOM 423 O GLN A 26 8.064 24.779 11.406 1.00 0.00 O ATOM 424 CB GLN A 26 10.904 25.752 11.383 1.00 0.00 C ATOM 425 CG GLN A 26 12.378 25.894 11.728 1.00 0.00 C ATOM 426 CD GLN A 26 13.205 24.718 11.247 1.00 0.00 C ATOM 427 OE1 GLN A 26 12.777 23.566 11.333 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.397 25.001 10.736 1.00 0.00 N ATOM 0 H GLN A 26 10.061 23.423 12.643 1.00 0.00 H new ATOM 0 HA GLN A 26 10.203 26.298 13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.780 24.921 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.572 26.652 10.866 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.765 26.811 11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.487 25.992 12.808 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.713 25.970 10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.997 24.250 10.396 1.00 0.00 H new ATOM 437 N CYS A 27 7.834 26.580 12.735 1.00 0.00 N ATOM 438 CA CYS A 27 6.420 26.762 12.428 1.00 0.00 C ATOM 439 C CYS A 27 6.114 28.225 12.124 1.00 0.00 C ATOM 440 O CYS A 27 6.869 29.119 12.505 1.00 0.00 O ATOM 441 CB CYS A 27 5.557 26.280 13.595 1.00 0.00 C ATOM 442 SG CYS A 27 3.853 25.881 13.138 1.00 0.00 S ATOM 0 H CYS A 27 8.215 27.264 13.388 1.00 0.00 H new ATOM 0 HA CYS A 27 6.186 26.169 11.544 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.020 25.397 14.035 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.544 27.051 14.366 1.00 0.00 H new ATOM 0 HG CYS A 27 3.223 26.972 12.817 1.00 0.00 H new ATOM 448 N TRP A 28 5.003 28.460 11.434 1.00 0.00 N ATOM 449 CA TRP A 28 4.599 29.815 11.077 1.00 0.00 C ATOM 450 C TRP A 28 3.818 30.467 12.213 1.00 0.00 C ATOM 451 O TRP A 28 3.081 29.798 12.937 1.00 0.00 O ATOM 452 CB TRP A 28 3.752 29.797 9.803 1.00 0.00 C ATOM 453 CG TRP A 28 4.509 29.343 8.593 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.940 28.076 8.323 1.00 0.00 C ATOM 455 CD2 TRP A 28 4.928 30.155 7.489 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.600 28.050 7.118 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.606 29.312 6.587 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.794 31.510 7.175 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.148 29.783 5.394 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.332 31.975 5.991 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.002 31.114 5.112 1.00 0.00 C ATOM 0 H TRP A 28 4.367 27.731 11.111 1.00 0.00 H new ATOM 0 HA TRP A 28 5.500 30.402 10.898 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.895 29.140 9.954 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.359 30.797 9.623 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.785 27.220 8.963 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.018 27.224 6.689 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.279 32.182 7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.665 29.121 4.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.235 33.020 5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.411 31.509 4.194 1.00 0.00 H new ATOM 472 N VAL A 29 3.983 31.777 12.363 1.00 0.00 N ATOM 473 CA VAL A 29 3.292 32.520 13.410 1.00 0.00 C ATOM 474 C VAL A 29 2.449 33.646 12.821 1.00 0.00 C ATOM 475 O VAL A 29 2.832 34.267 11.830 1.00 0.00 O ATOM 476 CB VAL A 29 4.285 33.115 14.426 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.547 33.910 15.492 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.126 32.014 15.055 1.00 0.00 C ATOM 0 H VAL A 29 4.589 32.346 11.772 1.00 0.00 H new ATOM 0 HA VAL A 29 2.641 31.812 13.922 1.00 0.00 H new ATOM 0 HB VAL A 29 4.954 33.795 13.899 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.265 34.323 16.201 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.993 34.723 15.022 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.853 33.255 16.019 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.822 32.452 15.770 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.475 31.307 15.569 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.685 31.493 14.277 1.00 0.00 H new ATOM 488 N GLN A 30 1.300 33.903 13.438 1.00 0.00 N ATOM 489 CA GLN A 30 0.403 34.955 12.974 1.00 0.00 C ATOM 490 C GLN A 30 0.833 36.315 13.514 1.00 0.00 C ATOM 491 O GLN A 30 0.821 36.546 14.724 1.00 0.00 O ATOM 492 CB GLN A 30 -1.034 34.653 13.402 1.00 0.00 C ATOM 493 CG GLN A 30 -2.018 35.757 13.048 1.00 0.00 C ATOM 494 CD GLN A 30 -3.455 35.274 13.031 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.832 34.382 13.792 1.00 0.00 O ATOM 496 NE2 GLN A 30 -4.267 35.862 12.159 1.00 0.00 N ATOM 0 H GLN A 30 0.969 33.398 14.260 1.00 0.00 H new ATOM 0 HA GLN A 30 0.452 34.986 11.886 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.357 33.725 12.931 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.057 34.489 14.479 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.920 36.570 13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.764 36.165 12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.912 36.597 11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.245 35.578 12.101 1.00 0.00 H new ATOM 505 N LYS A 31 1.213 37.212 12.611 1.00 0.00 N ATOM 506 CA LYS A 31 1.645 38.550 12.995 1.00 0.00 C ATOM 507 C LYS A 31 1.171 39.587 11.983 1.00 0.00 C ATOM 508 O LYS A 31 1.256 39.372 10.774 1.00 0.00 O ATOM 509 CB LYS A 31 3.170 38.600 13.116 1.00 0.00 C ATOM 510 CG LYS A 31 3.707 37.883 14.343 1.00 0.00 C ATOM 511 CD LYS A 31 3.475 38.692 15.608 1.00 0.00 C ATOM 512 CE LYS A 31 4.574 39.723 15.819 1.00 0.00 C ATOM 513 NZ LYS A 31 4.192 41.059 15.284 1.00 0.00 N ATOM 0 H LYS A 31 1.231 37.036 11.606 1.00 0.00 H new ATOM 0 HA LYS A 31 1.201 38.784 13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.612 38.156 12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.490 39.642 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.223 36.911 14.438 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.774 37.698 14.219 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.510 39.195 15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.433 38.022 16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.793 39.807 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.488 39.384 15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.900 41.369 14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.260 40.996 14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.149 41.746 16.064 1.00 0.00 H new ATOM 527 N ASN A 32 0.673 40.713 12.484 1.00 0.00 N ATOM 528 CA ASN A 32 0.186 41.784 11.623 1.00 0.00 C ATOM 529 C ASN A 32 -0.832 41.253 10.617 1.00 0.00 C ATOM 530 O ASN A 32 -0.718 41.496 9.416 1.00 0.00 O ATOM 531 CB ASN A 32 1.353 42.443 10.884 1.00 0.00 C ATOM 532 CG ASN A 32 2.484 42.828 11.818 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.368 43.778 12.592 1.00 0.00 O ATOM 534 ND2 ASN A 32 3.586 42.090 11.747 1.00 0.00 N ATOM 0 H ASN A 32 0.596 40.907 13.482 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.304 42.527 12.252 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.730 41.760 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.995 43.332 10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.381 42.302 12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.637 41.312 11.090 1.00 0.00 H new ATOM 541 N ASP A 33 -1.826 40.528 11.118 1.00 0.00 N ATOM 542 CA ASP A 33 -2.866 39.964 10.265 1.00 0.00 C ATOM 543 C ASP A 33 -2.254 39.167 9.117 1.00 0.00 C ATOM 544 O ASP A 33 -2.852 39.041 8.049 1.00 0.00 O ATOM 545 CB ASP A 33 -3.759 41.075 9.711 1.00 0.00 C ATOM 546 CG ASP A 33 -4.154 42.084 10.772 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.774 41.677 11.776 1.00 0.00 O ATOM 548 OD2 ASP A 33 -3.842 43.281 10.598 1.00 0.00 O ATOM 0 H ASP A 33 -1.934 40.317 12.110 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.472 39.289 10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.237 41.587 8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.658 40.634 9.281 1.00 0.00 H new ATOM 553 N GLU A 34 -1.058 38.634 9.345 1.00 0.00 N ATOM 554 CA GLU A 34 -0.365 37.851 8.329 1.00 0.00 C ATOM 555 C GLU A 34 0.329 36.643 8.952 1.00 0.00 C ATOM 556 O GLU A 34 0.258 36.430 10.162 1.00 0.00 O ATOM 557 CB GLU A 34 0.659 38.719 7.595 1.00 0.00 C ATOM 558 CG GLU A 34 0.036 39.705 6.622 1.00 0.00 C ATOM 559 CD GLU A 34 1.068 40.412 5.765 1.00 0.00 C ATOM 560 OE1 GLU A 34 1.579 41.465 6.198 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.365 39.910 4.660 1.00 0.00 O ATOM 0 H GLU A 34 -0.549 38.730 10.224 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.106 37.493 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.249 39.269 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.348 38.072 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.667 39.178 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.537 40.446 7.179 1.00 0.00 H new ATOM 568 N GLU A 35 1.000 35.857 8.116 1.00 0.00 N ATOM 569 CA GLU A 35 1.705 34.670 8.584 1.00 0.00 C ATOM 570 C GLU A 35 3.169 34.702 8.155 1.00 0.00 C ATOM 571 O GLU A 35 3.479 34.902 6.981 1.00 0.00 O ATOM 572 CB GLU A 35 1.033 33.404 8.047 1.00 0.00 C ATOM 573 CG GLU A 35 0.756 33.449 6.554 1.00 0.00 C ATOM 574 CD GLU A 35 -0.719 33.317 6.230 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.549 33.782 7.039 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.044 32.749 5.167 1.00 0.00 O ATOM 0 H GLU A 35 1.070 36.021 7.112 1.00 0.00 H new ATOM 0 HA GLU A 35 1.663 34.661 9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.668 32.545 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.094 33.248 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.131 34.388 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.305 32.646 6.062 1.00 0.00 H new ATOM 583 N ARG A 36 4.066 34.505 9.116 1.00 0.00 N ATOM 584 CA ARG A 36 5.497 34.513 8.839 1.00 0.00 C ATOM 585 C ARG A 36 6.175 33.285 9.441 1.00 0.00 C ATOM 586 O ARG A 36 5.731 32.754 10.460 1.00 0.00 O ATOM 587 CB ARG A 36 6.138 35.786 9.396 1.00 0.00 C ATOM 588 CG ARG A 36 5.449 37.063 8.944 1.00 0.00 C ATOM 589 CD ARG A 36 6.418 38.233 8.898 1.00 0.00 C ATOM 590 NE ARG A 36 5.970 39.280 7.984 1.00 0.00 N ATOM 591 CZ ARG A 36 6.776 40.201 7.467 1.00 0.00 C ATOM 592 NH1 ARG A 36 8.066 40.203 7.774 1.00 0.00 N ATOM 593 NH2 ARG A 36 6.293 41.121 6.643 1.00 0.00 N ATOM 0 H ARG A 36 3.827 34.338 10.093 1.00 0.00 H new ATOM 0 HA ARG A 36 5.632 34.488 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.125 35.742 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.184 35.820 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.012 36.912 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.629 37.295 9.623 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.531 38.650 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.401 37.878 8.588 1.00 0.00 H new ATOM 0 HE ARG A 36 4.983 39.306 7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.441 39.497 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.684 40.911 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.301 41.122 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.913 41.827 6.247 1.00 0.00 H new ATOM 607 N LEU A 37 7.251 32.839 8.803 1.00 0.00 N ATOM 608 CA LEU A 37 7.990 31.672 9.274 1.00 0.00 C ATOM 609 C LEU A 37 8.704 31.974 10.588 1.00 0.00 C ATOM 610 O LEU A 37 9.417 32.970 10.704 1.00 0.00 O ATOM 611 CB LEU A 37 9.005 31.227 8.219 1.00 0.00 C ATOM 612 CG LEU A 37 9.692 29.885 8.474 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.953 28.763 7.762 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.146 29.937 8.026 1.00 0.00 C ATOM 0 H LEU A 37 7.631 33.267 7.959 1.00 0.00 H new ATOM 0 HA LEU A 37 7.277 30.866 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.499 31.176 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.773 31.996 8.135 1.00 0.00 H new ATOM 0 HG LEU A 37 9.669 29.685 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.457 27.816 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.928 28.711 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.944 28.957 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.620 28.974 8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.191 30.160 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.670 30.714 8.582 1.00 0.00 H new ATOM 626 N ALA A 38 8.509 31.105 11.574 1.00 0.00 N ATOM 627 CA ALA A 38 9.138 31.276 12.878 1.00 0.00 C ATOM 628 C ALA A 38 9.899 30.020 13.290 1.00 0.00 C ATOM 629 O ALA A 38 9.365 28.913 13.231 1.00 0.00 O ATOM 630 CB ALA A 38 8.092 31.629 13.926 1.00 0.00 C ATOM 0 H ALA A 38 7.921 30.276 11.495 1.00 0.00 H new ATOM 0 HA ALA A 38 9.854 32.095 12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.575 31.754 14.895 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.595 32.558 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.355 30.828 13.989 1.00 0.00 H new ATOM 636 N GLU A 39 11.149 30.201 13.705 1.00 0.00 N ATOM 637 CA GLU A 39 11.983 29.081 14.125 1.00 0.00 C ATOM 638 C GLU A 39 12.017 28.968 15.646 1.00 0.00 C ATOM 639 O GLU A 39 12.372 29.921 16.341 1.00 0.00 O ATOM 640 CB GLU A 39 13.404 29.243 13.581 1.00 0.00 C ATOM 641 CG GLU A 39 14.392 28.239 14.152 1.00 0.00 C ATOM 642 CD GLU A 39 15.597 28.032 13.255 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.550 28.470 12.087 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.587 27.431 13.723 1.00 0.00 O ATOM 0 H GLU A 39 11.606 31.111 13.759 1.00 0.00 H new ATOM 0 HA GLU A 39 11.550 28.166 13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.382 29.142 12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.755 30.251 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.727 28.581 15.131 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.888 27.284 14.303 1.00 0.00 H new ATOM 651 N ILE A 40 11.646 27.799 16.156 1.00 0.00 N ATOM 652 CA ILE A 40 11.635 27.562 17.594 1.00 0.00 C ATOM 653 C ILE A 40 13.043 27.637 18.174 1.00 0.00 C ATOM 654 O ILE A 40 14.007 27.186 17.554 1.00 0.00 O ATOM 655 CB ILE A 40 11.025 26.189 17.933 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.607 26.083 17.368 1.00 0.00 C ATOM 657 CG2 ILE A 40 11.019 25.970 19.439 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.623 27.026 18.024 1.00 0.00 C ATOM 0 H ILE A 40 11.349 27.001 15.595 1.00 0.00 H new ATOM 0 HA ILE A 40 11.019 28.344 18.038 1.00 0.00 H new ATOM 0 HB ILE A 40 11.637 25.412 17.475 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.635 26.287 16.298 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.252 25.059 17.488 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.585 24.996 19.663 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.041 26.008 19.816 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.427 26.750 19.918 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.639 26.896 17.574 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.566 26.808 19.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.954 28.055 17.881 1.00 0.00 H new ATOM 670 N LEU A 41 13.155 28.208 19.368 1.00 0.00 N ATOM 671 CA LEU A 41 14.446 28.342 20.035 1.00 0.00 C ATOM 672 C LEU A 41 14.454 27.588 21.361 1.00 0.00 C ATOM 673 O LEU A 41 15.494 27.099 21.802 1.00 0.00 O ATOM 674 CB LEU A 41 14.770 29.818 20.271 1.00 0.00 C ATOM 675 CG LEU A 41 15.215 30.613 19.043 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.504 32.058 19.419 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.439 29.970 18.407 1.00 0.00 C ATOM 0 H LEU A 41 12.367 28.586 19.895 1.00 0.00 H new ATOM 0 HA LEU A 41 15.209 27.909 19.388 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.887 30.300 20.691 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.556 29.881 21.024 1.00 0.00 H new ATOM 0 HG LEU A 41 14.405 30.604 18.314 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.819 32.609 18.533 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.603 32.515 19.828 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.297 32.088 20.166 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.742 30.549 17.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.255 29.948 19.129 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.198 28.952 18.101 1.00 0.00 H new ATOM 689 N SER A 42 13.288 27.498 21.992 1.00 0.00 N ATOM 690 CA SER A 42 13.160 26.806 23.269 1.00 0.00 C ATOM 691 C SER A 42 11.694 26.566 23.613 1.00 0.00 C ATOM 692 O SER A 42 10.798 27.147 22.999 1.00 0.00 O ATOM 693 CB SER A 42 13.831 27.615 24.381 1.00 0.00 C ATOM 694 OG SER A 42 14.703 26.802 25.147 1.00 0.00 O ATOM 0 H SER A 42 12.418 27.896 21.639 1.00 0.00 H new ATOM 0 HA SER A 42 13.657 25.840 23.182 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.390 28.444 23.946 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.070 28.049 25.029 1.00 0.00 H new ATOM 0 HG SER A 42 15.121 27.342 25.850 1.00 0.00 H new ATOM 700 N ILE A 43 11.457 25.706 24.598 1.00 0.00 N ATOM 701 CA ILE A 43 10.099 25.389 25.025 1.00 0.00 C ATOM 702 C ILE A 43 9.944 25.557 26.532 1.00 0.00 C ATOM 703 O ILE A 43 10.790 25.112 27.307 1.00 0.00 O ATOM 704 CB ILE A 43 9.709 23.951 24.637 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.810 23.762 23.122 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.302 23.635 25.122 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.796 22.691 22.711 1.00 0.00 C ATOM 0 H ILE A 43 12.187 25.216 25.115 1.00 0.00 H new ATOM 0 HA ILE A 43 9.436 26.087 24.514 1.00 0.00 H new ATOM 0 HB ILE A 43 10.402 23.261 25.117 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.825 23.508 22.729 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.101 24.708 22.665 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.041 22.615 24.840 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.260 23.734 26.207 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.596 24.329 24.667 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.815 22.612 21.624 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.790 22.953 23.073 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.494 21.735 23.139 1.00 0.00 H new ATOM 719 N ASN A 44 8.856 26.202 26.941 1.00 0.00 N ATOM 720 CA ASN A 44 8.588 26.428 28.357 1.00 0.00 C ATOM 721 C ASN A 44 7.203 25.914 28.737 1.00 0.00 C ATOM 722 O ASN A 44 6.192 26.564 28.470 1.00 0.00 O ATOM 723 CB ASN A 44 8.700 27.918 28.687 1.00 0.00 C ATOM 724 CG ASN A 44 8.292 28.226 30.114 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.776 27.601 31.058 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.397 29.193 30.278 1.00 0.00 N ATOM 0 H ASN A 44 8.146 26.577 26.312 1.00 0.00 H new ATOM 0 HA ASN A 44 9.331 25.878 28.934 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.727 28.247 28.527 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.072 28.487 28.002 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.084 29.444 31.216 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.023 29.684 29.466 1.00 0.00 H new ATOM 733 N THR A 45 7.165 24.742 29.364 1.00 0.00 N ATOM 734 CA THR A 45 5.905 24.139 29.781 1.00 0.00 C ATOM 735 C THR A 45 5.645 24.379 31.264 1.00 0.00 C ATOM 736 O THR A 45 5.609 23.439 32.058 1.00 0.00 O ATOM 737 CB THR A 45 5.889 22.624 29.508 1.00 0.00 C ATOM 738 OG1 THR A 45 6.988 21.994 30.175 1.00 0.00 O ATOM 739 CG2 THR A 45 5.967 22.342 28.015 1.00 0.00 C ATOM 0 H THR A 45 7.992 24.192 29.594 1.00 0.00 H new ATOM 0 HA THR A 45 5.118 24.614 29.195 1.00 0.00 H new ATOM 0 HB THR A 45 4.952 22.219 29.890 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.887 22.101 31.144 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.954 21.265 27.847 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.113 22.798 27.514 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.890 22.761 27.613 1.00 0.00 H new ATOM 747 N ARG A 46 5.464 25.644 31.632 1.00 0.00 N ATOM 748 CA ARG A 46 5.208 26.007 33.020 1.00 0.00 C ATOM 749 C ARG A 46 3.854 26.696 33.161 1.00 0.00 C ATOM 750 O ARG A 46 3.533 27.249 34.213 1.00 0.00 O ATOM 751 CB ARG A 46 6.316 26.923 33.543 1.00 0.00 C ATOM 752 CG ARG A 46 7.676 26.249 33.625 1.00 0.00 C ATOM 753 CD ARG A 46 7.776 25.342 34.842 1.00 0.00 C ATOM 754 NE ARG A 46 7.337 23.981 34.547 1.00 0.00 N ATOM 755 CZ ARG A 46 7.186 23.041 35.474 1.00 0.00 C ATOM 756 NH1 ARG A 46 7.437 23.314 36.747 1.00 0.00 N ATOM 757 NH2 ARG A 46 6.783 21.825 35.128 1.00 0.00 N ATOM 0 H ARG A 46 5.490 26.434 30.987 1.00 0.00 H new ATOM 0 HA ARG A 46 5.194 25.092 33.612 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.391 27.795 32.894 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.039 27.285 34.533 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.850 25.666 32.720 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.457 27.008 33.670 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.807 25.322 35.195 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.170 25.751 35.650 1.00 0.00 H new ATOM 0 HE ARG A 46 7.135 23.739 33.577 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.747 24.248 37.017 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.320 22.590 37.456 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.589 21.611 34.150 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.667 21.104 35.840 1.00 0.00 H new ATOM 771 N LYS A 47 3.064 26.660 32.093 1.00 0.00 N ATOM 772 CA LYS A 47 1.744 27.280 32.097 1.00 0.00 C ATOM 773 C LYS A 47 0.732 26.409 31.360 1.00 0.00 C ATOM 774 O LYS A 47 1.082 25.366 30.808 1.00 0.00 O ATOM 775 CB LYS A 47 1.807 28.665 31.449 1.00 0.00 C ATOM 776 CG LYS A 47 1.473 29.799 32.403 1.00 0.00 C ATOM 777 CD LYS A 47 2.708 30.293 33.137 1.00 0.00 C ATOM 778 CE LYS A 47 3.428 31.377 32.349 1.00 0.00 C ATOM 779 NZ LYS A 47 2.611 32.617 32.238 1.00 0.00 N ATOM 0 H LYS A 47 3.315 26.208 31.214 1.00 0.00 H new ATOM 0 HA LYS A 47 1.422 27.384 33.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.807 28.823 31.046 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.116 28.695 30.607 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.025 30.623 31.847 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.730 29.461 33.126 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.421 30.682 34.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.386 29.458 33.313 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.376 31.609 32.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.662 31.006 31.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.238 33.434 32.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.960 32.533 31.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.063 32.751 33.112 1.00 0.00 H new ATOM 793 N ALA A 48 -0.524 26.844 31.356 1.00 0.00 N ATOM 794 CA ALA A 48 -1.586 26.105 30.684 1.00 0.00 C ATOM 795 C ALA A 48 -2.545 27.050 29.969 1.00 0.00 C ATOM 796 O ALA A 48 -3.379 27.712 30.587 1.00 0.00 O ATOM 797 CB ALA A 48 -2.341 25.241 31.683 1.00 0.00 C ATOM 0 H ALA A 48 -0.831 27.704 31.810 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.128 25.459 29.935 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.131 24.695 31.168 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.653 24.533 32.145 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.781 25.875 32.453 1.00 0.00 H new ATOM 803 N PRO A 49 -2.425 27.118 28.634 1.00 0.00 N ATOM 804 CA PRO A 49 -1.435 26.336 27.888 1.00 0.00 C ATOM 805 C PRO A 49 -0.009 26.815 28.138 1.00 0.00 C ATOM 806 O PRO A 49 0.222 27.904 28.665 1.00 0.00 O ATOM 807 CB PRO A 49 -1.828 26.569 26.427 1.00 0.00 C ATOM 808 CG PRO A 49 -2.537 27.879 26.429 1.00 0.00 C ATOM 809 CD PRO A 49 -3.246 27.964 27.752 1.00 0.00 C ATOM 0 HA PRO A 49 -1.438 25.287 28.183 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.951 26.595 25.781 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.472 25.771 26.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.834 28.703 26.309 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.245 27.941 25.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.298 28.991 28.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.270 27.598 27.683 1.00 0.00 H new ATOM 817 N PRO A 50 0.971 25.984 27.753 1.00 0.00 N ATOM 818 CA PRO A 50 2.391 26.302 27.926 1.00 0.00 C ATOM 819 C PRO A 50 2.849 27.428 27.004 1.00 0.00 C ATOM 820 O PRO A 50 2.057 27.980 26.240 1.00 0.00 O ATOM 821 CB PRO A 50 3.095 24.993 27.561 1.00 0.00 C ATOM 822 CG PRO A 50 2.146 24.294 26.650 1.00 0.00 C ATOM 823 CD PRO A 50 0.768 24.671 27.120 1.00 0.00 C ATOM 0 HA PRO A 50 2.610 26.653 28.934 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.050 25.181 27.070 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.305 24.396 28.448 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.302 24.599 25.615 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.290 23.214 26.690 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.063 24.729 26.291 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.371 23.942 27.826 1.00 0.00 H new ATOM 831 N LYS A 51 4.133 27.763 27.079 1.00 0.00 N ATOM 832 CA LYS A 51 4.698 28.821 26.251 1.00 0.00 C ATOM 833 C LYS A 51 5.884 28.305 25.443 1.00 0.00 C ATOM 834 O LYS A 51 6.524 27.323 25.820 1.00 0.00 O ATOM 835 CB LYS A 51 5.135 30.001 27.122 1.00 0.00 C ATOM 836 CG LYS A 51 4.002 30.947 27.478 1.00 0.00 C ATOM 837 CD LYS A 51 4.527 32.278 27.989 1.00 0.00 C ATOM 838 CE LYS A 51 3.392 33.209 28.388 1.00 0.00 C ATOM 839 NZ LYS A 51 3.856 34.615 28.543 1.00 0.00 N ATOM 0 H LYS A 51 4.802 27.316 27.706 1.00 0.00 H new ATOM 0 HA LYS A 51 3.927 29.156 25.557 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.580 29.618 28.041 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.912 30.559 26.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.377 31.114 26.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.369 30.489 28.238 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.178 32.108 28.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.133 32.752 27.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.606 33.167 27.634 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.953 32.866 29.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.053 35.217 28.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.588 34.660 29.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.251 34.951 27.642 1.00 0.00 H new ATOM 853 N PHE A 52 6.173 28.973 24.331 1.00 0.00 N ATOM 854 CA PHE A 52 7.283 28.582 23.471 1.00 0.00 C ATOM 855 C PHE A 52 8.035 29.809 22.962 1.00 0.00 C ATOM 856 O PHE A 52 7.451 30.876 22.777 1.00 0.00 O ATOM 857 CB PHE A 52 6.773 27.756 22.288 1.00 0.00 C ATOM 858 CG PHE A 52 5.980 26.549 22.698 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.649 26.669 23.064 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.565 25.293 22.717 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.917 25.559 23.442 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.838 24.179 23.094 1.00 0.00 C ATOM 863 CZ PHE A 52 4.512 24.312 23.456 1.00 0.00 C ATOM 0 H PHE A 52 5.653 29.788 24.005 1.00 0.00 H new ATOM 0 HA PHE A 52 7.970 27.975 24.060 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.154 28.389 21.653 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.623 27.435 21.686 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.178 27.641 23.054 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.601 25.183 22.434 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.881 25.666 23.726 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.307 23.206 23.105 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.941 23.443 23.749 1.00 0.00 H new ATOM 873 N TYR A 53 9.335 29.647 22.739 1.00 0.00 N ATOM 874 CA TYR A 53 10.169 30.741 22.255 1.00 0.00 C ATOM 875 C TYR A 53 10.398 30.627 20.751 1.00 0.00 C ATOM 876 O TYR A 53 10.998 29.663 20.274 1.00 0.00 O ATOM 877 CB TYR A 53 11.511 30.750 22.988 1.00 0.00 C ATOM 878 CG TYR A 53 12.183 32.104 23.005 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.484 33.243 23.386 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.516 32.245 22.640 1.00 0.00 C ATOM 881 CE1 TYR A 53 12.094 34.483 23.402 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.134 33.480 22.655 1.00 0.00 C ATOM 883 CZ TYR A 53 13.419 34.596 23.037 1.00 0.00 C ATOM 884 OH TYR A 53 14.031 35.829 23.052 1.00 0.00 O ATOM 0 H TYR A 53 9.834 28.769 22.886 1.00 0.00 H new ATOM 0 HA TYR A 53 9.648 31.677 22.455 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.357 30.417 24.015 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.178 30.029 22.516 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.447 33.158 23.674 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.079 31.374 22.339 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.536 35.359 23.699 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.171 33.571 22.369 1.00 0.00 H new ATOM 0 HH TYR A 53 14.829 35.805 22.484 1.00 0.00 H new ATOM 894 N VAL A 54 9.917 31.619 20.009 1.00 0.00 N ATOM 895 CA VAL A 54 10.071 31.632 18.559 1.00 0.00 C ATOM 896 C VAL A 54 10.984 32.769 18.113 1.00 0.00 C ATOM 897 O VAL A 54 11.141 33.766 18.818 1.00 0.00 O ATOM 898 CB VAL A 54 8.710 31.774 17.852 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.913 30.483 17.962 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.928 32.944 18.431 1.00 0.00 C ATOM 0 H VAL A 54 9.418 32.424 20.388 1.00 0.00 H new ATOM 0 HA VAL A 54 10.520 30.679 18.280 1.00 0.00 H new ATOM 0 HB VAL A 54 8.889 31.973 16.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.955 30.603 17.457 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.470 29.671 17.495 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.742 30.249 19.013 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.969 33.029 17.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.758 32.777 19.495 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.496 33.864 18.294 1.00 0.00 H new ATOM 910 N HIS A 55 11.584 32.612 16.938 1.00 0.00 N ATOM 911 CA HIS A 55 12.482 33.626 16.396 1.00 0.00 C ATOM 912 C HIS A 55 12.246 33.818 14.901 1.00 0.00 C ATOM 913 O HIS A 55 12.383 32.880 14.115 1.00 0.00 O ATOM 914 CB HIS A 55 13.938 33.235 16.649 1.00 0.00 C ATOM 915 CG HIS A 55 14.912 33.951 15.764 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.830 35.299 15.490 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.995 33.497 15.090 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.819 35.644 14.685 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.541 34.568 14.428 1.00 0.00 N ATOM 0 H HIS A 55 11.465 31.792 16.343 1.00 0.00 H new ATOM 0 HA HIS A 55 12.274 34.569 16.902 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.186 33.442 17.690 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.048 32.161 16.502 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.361 32.481 15.076 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.005 36.637 14.302 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.370 34.538 13.834 1.00 0.00 H new ATOM 927 N TYR A 56 11.890 35.038 14.516 1.00 0.00 N ATOM 928 CA TYR A 56 11.631 35.353 13.115 1.00 0.00 C ATOM 929 C TYR A 56 12.919 35.300 12.299 1.00 0.00 C ATOM 930 O TYR A 56 13.778 36.174 12.415 1.00 0.00 O ATOM 931 CB TYR A 56 10.992 36.736 12.991 1.00 0.00 C ATOM 932 CG TYR A 56 9.714 36.887 13.786 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.745 37.256 15.125 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.476 36.661 13.197 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.580 37.393 15.855 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.306 36.797 13.919 1.00 0.00 C ATOM 937 CZ TYR A 56 7.364 37.163 15.247 1.00 0.00 C ATOM 938 OH TYR A 56 6.201 37.301 15.971 1.00 0.00 O ATOM 0 H TYR A 56 11.774 35.826 15.154 1.00 0.00 H new ATOM 0 HA TYR A 56 10.942 34.606 12.722 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.707 37.488 13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.782 36.937 11.940 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.696 37.439 15.603 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.428 36.374 12.157 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.622 37.679 16.896 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.352 36.618 13.446 1.00 0.00 H new ATOM 0 HH TYR A 56 6.388 37.786 16.802 1.00 0.00 H new ATOM 948 N VAL A 57 13.046 34.267 11.471 1.00 0.00 N ATOM 949 CA VAL A 57 14.227 34.100 10.633 1.00 0.00 C ATOM 950 C VAL A 57 14.393 35.274 9.676 1.00 0.00 C ATOM 951 O VAL A 57 15.510 35.643 9.318 1.00 0.00 O ATOM 952 CB VAL A 57 14.156 32.794 9.819 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.473 32.540 9.101 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.797 31.623 10.721 1.00 0.00 C ATOM 0 H VAL A 57 12.345 33.534 11.363 1.00 0.00 H new ATOM 0 HA VAL A 57 15.087 34.057 11.302 1.00 0.00 H new ATOM 0 HB VAL A 57 13.374 32.897 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.404 31.613 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.684 33.368 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.276 32.457 9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.751 30.709 10.129 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.555 31.516 11.497 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.827 31.804 11.184 1.00 0.00 H new ATOM 964 N ASN A 58 13.272 35.859 9.265 1.00 0.00 N ATOM 965 CA ASN A 58 13.293 36.993 8.349 1.00 0.00 C ATOM 966 C ASN A 58 13.815 38.246 9.045 1.00 0.00 C ATOM 967 O ASN A 58 14.313 39.167 8.398 1.00 0.00 O ATOM 968 CB ASN A 58 11.891 37.252 7.792 1.00 0.00 C ATOM 969 CG ASN A 58 11.578 36.385 6.588 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.184 36.885 5.534 1.00 0.00 O ATOM 971 ND2 ASN A 58 11.752 35.077 6.740 1.00 0.00 N ATOM 0 H ASN A 58 12.338 35.566 9.552 1.00 0.00 H new ATOM 0 HA ASN A 58 13.965 36.750 7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.153 37.066 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.802 38.302 7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.557 34.443 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.080 34.706 7.632 1.00 0.00 H new ATOM 978 N TYR A 59 13.697 38.273 10.368 1.00 0.00 N ATOM 979 CA TYR A 59 14.156 39.413 11.153 1.00 0.00 C ATOM 980 C TYR A 59 15.359 39.035 12.011 1.00 0.00 C ATOM 981 O TYR A 59 15.866 37.917 11.931 1.00 0.00 O ATOM 982 CB TYR A 59 13.025 39.934 12.042 1.00 0.00 C ATOM 983 CG TYR A 59 11.919 40.622 11.275 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.141 41.835 10.635 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.652 40.059 11.188 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.133 42.468 9.933 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.639 40.683 10.487 1.00 0.00 C ATOM 988 CZ TYR A 59 9.884 41.888 9.862 1.00 0.00 C ATOM 989 OH TYR A 59 8.878 42.514 9.163 1.00 0.00 O ATOM 0 H TYR A 59 13.288 37.519 10.919 1.00 0.00 H new ATOM 0 HA TYR A 59 14.459 40.200 10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.602 39.101 12.603 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.439 40.632 12.770 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.119 42.291 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.456 39.116 11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.322 43.412 9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.660 40.230 10.428 1.00 0.00 H new ATOM 0 HH TYR A 59 9.265 43.035 8.429 1.00 0.00 H new ATOM 999 N ASN A 60 15.812 39.978 12.832 1.00 0.00 N ATOM 1000 CA ASN A 60 16.956 39.745 13.705 1.00 0.00 C ATOM 1001 C ASN A 60 16.538 38.980 14.957 1.00 0.00 C ATOM 1002 O ASN A 60 15.351 38.754 15.193 1.00 0.00 O ATOM 1003 CB ASN A 60 17.602 41.075 14.099 1.00 0.00 C ATOM 1004 CG ASN A 60 18.464 41.650 12.992 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.678 41.787 13.142 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.838 41.990 11.871 1.00 0.00 N ATOM 0 H ASN A 60 15.404 40.910 12.910 1.00 0.00 H new ATOM 0 HA ASN A 60 17.682 39.143 13.158 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.823 41.792 14.358 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.211 40.930 14.991 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.366 42.382 11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.830 41.859 11.790 1.00 0.00 H new ATOM 1013 N LYS A 61 17.522 38.583 15.757 1.00 0.00 N ATOM 1014 CA LYS A 61 17.259 37.844 16.986 1.00 0.00 C ATOM 1015 C LYS A 61 16.555 38.727 18.011 1.00 0.00 C ATOM 1016 O LYS A 61 16.050 38.238 19.023 1.00 0.00 O ATOM 1017 CB LYS A 61 18.566 37.306 17.572 1.00 0.00 C ATOM 1018 CG LYS A 61 18.364 36.227 18.622 1.00 0.00 C ATOM 1019 CD LYS A 61 19.420 36.304 19.711 1.00 0.00 C ATOM 1020 CE LYS A 61 20.609 35.408 19.399 1.00 0.00 C ATOM 1021 NZ LYS A 61 20.455 34.053 19.997 1.00 0.00 N ATOM 0 H LYS A 61 18.510 38.761 15.576 1.00 0.00 H new ATOM 0 HA LYS A 61 16.605 37.006 16.744 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.178 36.905 16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.123 38.132 18.014 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.374 36.331 19.066 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.399 35.246 18.148 1.00 0.00 H new ATOM 0 HD2 LYS A 61 19.758 37.335 19.819 1.00 0.00 H new ATOM 0 HD3 LYS A 61 18.982 36.010 20.665 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.722 35.317 18.319 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.521 35.870 19.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 21.286 33.473 19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.373 34.137 21.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.599 33.601 19.617 1.00 0.00 H new ATOM 1035 N ARG A 62 16.523 40.028 17.743 1.00 0.00 N ATOM 1036 CA ARG A 62 15.881 40.978 18.642 1.00 0.00 C ATOM 1037 C ARG A 62 14.370 40.992 18.430 1.00 0.00 C ATOM 1038 O ARG A 62 13.644 41.729 19.098 1.00 0.00 O ATOM 1039 CB ARG A 62 16.449 42.382 18.426 1.00 0.00 C ATOM 1040 CG ARG A 62 16.140 42.960 17.055 1.00 0.00 C ATOM 1041 CD ARG A 62 17.252 43.880 16.574 1.00 0.00 C ATOM 1042 NE ARG A 62 16.827 44.711 15.451 1.00 0.00 N ATOM 1043 CZ ARG A 62 16.067 45.793 15.583 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.652 46.172 16.783 1.00 0.00 N ATOM 1045 NH2 ARG A 62 15.723 46.497 14.513 1.00 0.00 N ATOM 0 H ARG A 62 16.935 40.448 16.910 1.00 0.00 H new ATOM 0 HA ARG A 62 16.085 40.664 19.666 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.049 43.048 19.190 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.530 42.352 18.563 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.002 42.149 16.340 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.201 43.512 17.095 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.575 44.519 17.396 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.114 43.282 16.277 1.00 0.00 H new ATOM 0 HE ARG A 62 17.130 44.446 14.514 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.916 45.633 17.608 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.069 47.003 16.882 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.042 46.208 13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.140 47.327 14.615 1.00 0.00 H new ATOM 1059 N LEU A 63 13.902 40.172 17.495 1.00 0.00 N ATOM 1060 CA LEU A 63 12.477 40.089 17.194 1.00 0.00 C ATOM 1061 C LEU A 63 11.844 38.884 17.882 1.00 0.00 C ATOM 1062 O LEU A 63 10.637 38.856 18.122 1.00 0.00 O ATOM 1063 CB LEU A 63 12.260 40.000 15.682 1.00 0.00 C ATOM 1064 CG LEU A 63 11.855 41.299 14.985 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.566 41.845 15.579 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.970 42.329 15.088 1.00 0.00 C ATOM 0 H LEU A 63 14.488 39.555 16.933 1.00 0.00 H new ATOM 0 HA LEU A 63 11.998 40.992 17.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.180 39.637 15.224 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.491 39.252 15.489 1.00 0.00 H new ATOM 0 HG LEU A 63 11.682 41.084 13.931 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.294 42.770 15.070 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.768 41.113 15.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.711 42.044 16.641 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.665 43.247 14.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.175 42.540 16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.871 41.939 14.614 1.00 0.00 H new ATOM 1078 N ASP A 64 12.667 37.890 18.198 1.00 0.00 N ATOM 1079 CA ASP A 64 12.188 36.683 18.862 1.00 0.00 C ATOM 1080 C ASP A 64 11.383 37.032 20.110 1.00 0.00 C ATOM 1081 O ASP A 64 11.462 38.150 20.618 1.00 0.00 O ATOM 1082 CB ASP A 64 13.365 35.780 19.236 1.00 0.00 C ATOM 1083 CG ASP A 64 14.283 36.420 20.259 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.074 37.608 20.583 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.212 35.733 20.735 1.00 0.00 O ATOM 0 H ASP A 64 13.669 37.896 18.005 1.00 0.00 H new ATOM 0 HA ASP A 64 11.537 36.151 18.169 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.985 34.838 19.632 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.936 35.542 18.339 1.00 0.00 H new ATOM 1090 N GLU A 65 10.607 36.068 20.596 1.00 0.00 N ATOM 1091 CA GLU A 65 9.786 36.275 21.783 1.00 0.00 C ATOM 1092 C GLU A 65 9.093 34.981 22.198 1.00 0.00 C ATOM 1093 O GLU A 65 9.256 33.944 21.555 1.00 0.00 O ATOM 1094 CB GLU A 65 8.743 37.365 21.525 1.00 0.00 C ATOM 1095 CG GLU A 65 7.841 37.075 20.337 1.00 0.00 C ATOM 1096 CD GLU A 65 6.525 37.824 20.407 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.027 38.044 21.532 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.992 38.190 19.339 1.00 0.00 O ATOM 0 H GLU A 65 10.530 35.137 20.186 1.00 0.00 H new ATOM 0 HA GLU A 65 10.440 36.593 22.595 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.128 37.486 22.417 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.254 38.313 21.359 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.360 37.345 19.417 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.643 36.004 20.289 1.00 0.00 H new ATOM 1105 N TRP A 66 8.320 35.050 23.276 1.00 0.00 N ATOM 1106 CA TRP A 66 7.603 33.883 23.778 1.00 0.00 C ATOM 1107 C TRP A 66 6.142 33.913 23.340 1.00 0.00 C ATOM 1108 O TRP A 66 5.355 34.723 23.830 1.00 0.00 O ATOM 1109 CB TRP A 66 7.690 33.822 25.304 1.00 0.00 C ATOM 1110 CG TRP A 66 9.095 33.722 25.815 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.982 34.747 25.982 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.775 32.530 26.223 1.00 0.00 C ATOM 1113 NE1 TRP A 66 11.172 34.264 26.470 1.00 0.00 N ATOM 1114 CE2 TRP A 66 11.071 32.907 26.627 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.415 31.181 26.289 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 12.005 31.983 27.088 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.343 30.265 26.746 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.625 30.669 27.142 1.00 0.00 C ATOM 0 H TRP A 66 8.174 35.901 23.819 1.00 0.00 H new ATOM 0 HA TRP A 66 8.071 32.992 23.359 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.221 34.712 25.723 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.120 32.964 25.659 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.778 35.785 25.763 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.997 34.825 26.681 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.429 30.860 25.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.994 32.292 27.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.076 29.220 26.799 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.327 29.929 27.497 1.00 0.00 H new ATOM 1129 N ILE A 67 5.787 33.025 22.418 1.00 0.00 N ATOM 1130 CA ILE A 67 4.421 32.950 21.916 1.00 0.00 C ATOM 1131 C ILE A 67 3.678 31.764 22.522 1.00 0.00 C ATOM 1132 O ILE A 67 4.290 30.844 23.065 1.00 0.00 O ATOM 1133 CB ILE A 67 4.390 32.831 20.381 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.132 31.571 19.931 1.00 0.00 C ATOM 1135 CG2 ILE A 67 5.000 34.069 19.741 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.839 31.175 18.501 1.00 0.00 C ATOM 0 H ILE A 67 6.427 32.347 22.003 1.00 0.00 H new ATOM 0 HA ILE A 67 3.926 33.875 22.210 1.00 0.00 H new ATOM 0 HB ILE A 67 3.352 32.754 20.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.204 31.731 20.042 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.863 30.746 20.590 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.971 33.970 18.656 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.433 34.950 20.040 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.034 34.175 20.068 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.399 30.274 18.251 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.772 30.982 18.388 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.134 31.983 17.832 1.00 0.00 H new ATOM 1148 N THR A 68 2.352 31.792 22.425 1.00 0.00 N ATOM 1149 CA THR A 68 1.524 30.719 22.963 1.00 0.00 C ATOM 1150 C THR A 68 0.894 29.897 21.844 1.00 0.00 C ATOM 1151 O THR A 68 1.062 30.205 20.663 1.00 0.00 O ATOM 1152 CB THR A 68 0.408 31.272 23.869 1.00 0.00 C ATOM 1153 OG1 THR A 68 0.001 32.567 23.412 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.878 31.363 25.313 1.00 0.00 C ATOM 0 H THR A 68 1.829 32.546 21.979 1.00 0.00 H new ATOM 0 HA THR A 68 2.179 30.080 23.555 1.00 0.00 H new ATOM 0 HB THR A 68 -0.439 30.588 23.822 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.710 32.910 23.993 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.073 31.756 25.934 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.158 30.371 25.668 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.740 32.027 25.374 1.00 0.00 H new ATOM 1162 N THR A 69 0.168 28.850 22.222 1.00 0.00 N ATOM 1163 CA THR A 69 -0.487 27.983 21.250 1.00 0.00 C ATOM 1164 C THR A 69 -1.374 28.787 20.307 1.00 0.00 C ATOM 1165 O THR A 69 -1.350 28.585 19.093 1.00 0.00 O ATOM 1166 CB THR A 69 -1.340 26.905 21.944 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.496 27.502 22.540 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.532 26.179 23.010 1.00 0.00 C ATOM 0 H THR A 69 0.019 28.582 23.195 1.00 0.00 H new ATOM 0 HA THR A 69 0.303 27.497 20.677 1.00 0.00 H new ATOM 0 HB THR A 69 -1.653 26.182 21.191 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.033 26.809 22.977 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.155 25.422 23.487 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.332 25.700 22.549 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.193 26.894 23.759 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.157 29.699 20.872 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.052 30.536 20.080 1.00 0.00 C ATOM 1178 C ASP A 70 -2.261 31.436 19.137 1.00 0.00 C ATOM 1179 O ASP A 70 -2.815 32.005 18.196 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.934 31.385 20.996 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.097 32.017 20.257 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.811 31.286 19.538 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.294 33.242 20.397 1.00 0.00 O ATOM 0 H ASP A 70 -2.191 29.878 21.876 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.687 29.882 19.482 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.316 30.763 21.805 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.330 32.168 21.454 1.00 0.00 H new ATOM 1188 N ARG A 71 -0.964 31.562 19.396 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.097 32.395 18.571 1.00 0.00 C ATOM 1190 C ARG A 71 0.683 31.546 17.572 1.00 0.00 C ATOM 1191 O ARG A 71 1.655 32.010 16.974 1.00 0.00 O ATOM 1192 CB ARG A 71 0.872 33.187 19.451 1.00 0.00 C ATOM 1193 CG ARG A 71 0.195 34.249 20.301 1.00 0.00 C ATOM 1194 CD ARG A 71 1.143 35.394 20.623 1.00 0.00 C ATOM 1195 NE ARG A 71 0.477 36.467 21.355 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.372 37.322 20.796 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.656 37.230 19.504 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -0.938 38.272 21.529 1.00 0.00 N ATOM 0 H ARG A 71 -0.490 31.098 20.171 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.725 33.092 18.016 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.404 32.495 20.105 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.619 33.664 18.816 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.678 34.635 19.775 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.164 33.801 21.228 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.979 35.018 21.213 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.559 35.791 19.697 1.00 0.00 H new ATOM 0 HE ARG A 71 0.674 36.566 22.351 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.222 36.501 18.937 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.308 37.888 19.077 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.721 38.346 22.523 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.590 38.928 21.099 1.00 0.00 H new ATOM 1212 N ILE A 72 0.252 30.302 17.397 1.00 0.00 N ATOM 1213 CA ILE A 72 0.910 29.389 16.471 1.00 0.00 C ATOM 1214 C ILE A 72 -0.009 29.027 15.309 1.00 0.00 C ATOM 1215 O ILE A 72 -1.213 28.848 15.490 1.00 0.00 O ATOM 1216 CB ILE A 72 1.358 28.096 17.178 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.362 28.417 18.287 1.00 0.00 C ATOM 1218 CG2 ILE A 72 1.962 27.125 16.173 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.487 27.322 19.324 1.00 0.00 C ATOM 0 H ILE A 72 -0.550 29.903 17.884 1.00 0.00 H new ATOM 0 HA ILE A 72 1.789 29.908 16.088 1.00 0.00 H new ATOM 0 HB ILE A 72 0.485 27.625 17.630 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.340 28.596 17.840 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.063 29.342 18.781 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.274 26.216 16.687 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.219 26.876 15.415 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.826 27.586 15.696 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.215 27.617 20.079 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.519 27.158 19.798 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.816 26.401 18.843 1.00 0.00 H new ATOM 1231 N ASN A 73 0.567 28.921 14.117 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.200 28.579 12.924 1.00 0.00 C ATOM 1233 C ASN A 73 -0.047 27.100 12.584 1.00 0.00 C ATOM 1234 O ASN A 73 1.005 26.665 12.114 1.00 0.00 O ATOM 1235 CB ASN A 73 0.251 29.435 11.739 1.00 0.00 C ATOM 1236 CG ASN A 73 0.009 30.915 11.970 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.222 31.349 13.098 1.00 0.00 O ATOM 1238 ND2 ASN A 73 0.060 31.696 10.897 1.00 0.00 N ATOM 0 H ASN A 73 1.563 29.067 13.951 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.252 28.780 13.129 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.312 29.267 11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.281 29.118 10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.096 32.700 10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.255 31.292 9.981 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.104 26.331 12.825 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.088 24.900 12.544 1.00 0.00 C ATOM 1247 C LEU A 74 -1.675 24.609 11.167 1.00 0.00 C ATOM 1248 O LEU A 74 -2.122 23.494 10.894 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.873 24.141 13.616 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.203 24.030 14.986 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -2.206 23.578 16.036 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.023 23.071 14.926 1.00 0.00 C ATOM 0 H LEU A 74 -1.982 26.675 13.214 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.051 24.564 12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.839 24.629 13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.071 23.134 13.248 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.832 25.015 15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.711 23.505 17.004 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.019 24.301 16.098 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.608 22.603 15.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.442 23.004 15.910 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.371 22.084 14.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.707 23.437 14.204 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.670 25.617 10.302 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.198 25.469 8.951 1.00 0.00 C ATOM 1266 C ASP A 75 -1.070 25.252 7.947 1.00 0.00 C ATOM 1267 O ASP A 75 -1.279 24.682 6.876 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.014 26.702 8.562 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.748 26.520 7.248 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -3.077 26.474 6.196 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -4.993 26.425 7.271 1.00 0.00 O ATOM 0 H ASP A 75 -1.306 26.546 10.513 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.847 24.594 8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.735 26.921 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.351 27.564 8.488 1.00 0.00 H new ATOM 1276 N LYS A 76 0.125 25.711 8.300 1.00 0.00 N ATOM 1277 CA LYS A 76 1.287 25.568 7.431 1.00 0.00 C ATOM 1278 C LYS A 76 2.157 24.395 7.874 1.00 0.00 C ATOM 1279 O LYS A 76 2.321 24.149 9.068 1.00 0.00 O ATOM 1280 CB LYS A 76 2.113 26.857 7.432 1.00 0.00 C ATOM 1281 CG LYS A 76 1.603 27.905 6.459 1.00 0.00 C ATOM 1282 CD LYS A 76 0.640 28.869 7.131 1.00 0.00 C ATOM 1283 CE LYS A 76 0.532 30.177 6.362 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.345 30.046 5.166 1.00 0.00 N ATOM 0 H LYS A 76 0.315 26.186 9.183 1.00 0.00 H new ATOM 0 HA LYS A 76 0.931 25.373 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.115 27.277 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.147 26.616 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.445 28.460 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.104 27.414 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.345 28.408 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.976 29.071 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.138 30.953 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.526 30.498 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.749 30.974 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.214 29.696 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.114 29.376 5.371 1.00 0.00 H new ATOM 1298 N GLU A 77 2.712 23.676 6.903 1.00 0.00 N ATOM 1299 CA GLU A 77 3.565 22.530 7.195 1.00 0.00 C ATOM 1300 C GLU A 77 4.693 22.919 8.146 1.00 0.00 C ATOM 1301 O GLU A 77 5.224 24.028 8.077 1.00 0.00 O ATOM 1302 CB GLU A 77 4.149 21.959 5.901 1.00 0.00 C ATOM 1303 CG GLU A 77 3.106 21.689 4.829 1.00 0.00 C ATOM 1304 CD GLU A 77 3.685 20.989 3.615 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.647 21.523 3.024 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.175 19.907 3.256 1.00 0.00 O ATOM 0 H GLU A 77 2.586 23.867 5.909 1.00 0.00 H new ATOM 0 HA GLU A 77 2.953 21.768 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.889 22.656 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.673 21.031 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.308 21.078 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.656 22.632 4.520 1.00 0.00 H new ATOM 1313 N VAL A 78 5.053 21.999 9.035 1.00 0.00 N ATOM 1314 CA VAL A 78 6.117 22.244 10.001 1.00 0.00 C ATOM 1315 C VAL A 78 7.425 21.604 9.552 1.00 0.00 C ATOM 1316 O VAL A 78 7.430 20.518 8.969 1.00 0.00 O ATOM 1317 CB VAL A 78 5.746 21.704 11.395 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.900 21.895 12.367 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.486 22.383 11.911 1.00 0.00 C ATOM 0 H VAL A 78 4.623 21.077 9.106 1.00 0.00 H new ATOM 0 HA VAL A 78 6.246 23.325 10.061 1.00 0.00 H new ATOM 0 HB VAL A 78 5.547 20.636 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.619 21.507 13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.776 21.358 12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.134 22.956 12.450 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.238 21.990 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.654 23.458 11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.661 22.189 11.225 1.00 0.00 H new ATOM 1329 N LEU A 79 8.534 22.281 9.826 1.00 0.00 N ATOM 1330 CA LEU A 79 9.851 21.778 9.451 1.00 0.00 C ATOM 1331 C LEU A 79 10.550 21.137 10.645 1.00 0.00 C ATOM 1332 O LEU A 79 10.591 21.710 11.735 1.00 0.00 O ATOM 1333 CB LEU A 79 10.711 22.913 8.890 1.00 0.00 C ATOM 1334 CG LEU A 79 10.965 22.881 7.383 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.776 21.652 7.004 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.649 22.909 6.620 1.00 0.00 C ATOM 0 H LEU A 79 8.548 23.180 10.307 1.00 0.00 H new ATOM 0 HA LEU A 79 9.717 21.017 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.233 23.861 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.674 22.899 9.401 1.00 0.00 H new ATOM 0 HG LEU A 79 11.539 23.767 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.947 21.647 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.734 21.674 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.229 20.753 7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.849 22.886 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.050 22.041 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.104 23.820 6.868 1.00 0.00 H new ATOM 1348 N TYR A 80 11.102 19.948 10.433 1.00 0.00 N ATOM 1349 CA TYR A 80 11.799 19.228 11.492 1.00 0.00 C ATOM 1350 C TYR A 80 13.156 18.727 11.007 1.00 0.00 C ATOM 1351 O TYR A 80 13.386 18.537 9.813 1.00 0.00 O ATOM 1352 CB TYR A 80 10.953 18.052 11.981 1.00 0.00 C ATOM 1353 CG TYR A 80 9.733 18.470 12.770 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.850 18.939 14.072 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.462 18.398 12.211 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.737 19.322 14.796 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.344 18.779 12.928 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.487 19.240 14.220 1.00 0.00 C ATOM 1359 OH TYR A 80 6.377 19.622 14.937 1.00 0.00 O ATOM 0 H TYR A 80 11.080 19.462 9.537 1.00 0.00 H new ATOM 0 HA TYR A 80 11.961 19.918 12.320 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.635 17.462 11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.572 17.403 12.601 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.827 19.006 14.526 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.347 18.038 11.199 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.846 19.684 15.808 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.364 18.716 12.479 1.00 0.00 H new ATOM 0 HH TYR A 80 6.533 19.463 15.891 1.00 0.00 H new ATOM 1369 N PRO A 81 14.077 18.506 11.957 1.00 0.00 N ATOM 1370 CA PRO A 81 15.427 18.022 11.652 1.00 0.00 C ATOM 1371 C PRO A 81 15.430 16.574 11.175 1.00 0.00 C ATOM 1372 O PRO A 81 14.526 15.802 11.494 1.00 0.00 O ATOM 1373 CB PRO A 81 16.158 18.144 12.992 1.00 0.00 C ATOM 1374 CG PRO A 81 15.082 18.067 14.019 1.00 0.00 C ATOM 1375 CD PRO A 81 13.872 18.710 13.400 1.00 0.00 C ATOM 0 HA PRO A 81 15.890 18.588 10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.886 17.343 13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.704 19.085 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.877 17.032 14.293 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.376 18.586 14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.949 18.244 13.744 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.807 19.769 13.651 1.00 0.00 H new