USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ -146:sc= 0.624 (180deg=-0.0231) USER MOD Set 1.2: A 56 TYR OH : rot 5:sc= -0.347 USER MOD Single : A 13 LYS NZ :NH3+ -104:sc= 0 (180deg=-0.512) USER MOD Single : A 14 LYS NZ :NH3+ -140:sc= 0.448 (180deg=0.0117) USER MOD Single : A 16 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.65) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 ASN : amide:sc= -0.325 K(o=-0.32,f=-1.4) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.061) USER MOD Single : A 45 THR OG1 : rot 63:sc= 0.354 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -163:sc= 0.566 USER MOD Single : A 55 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : A 58 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.00068) USER MOD Single : A 59 TYR OH : rot 30:sc=-0.00522 USER MOD Single : A 60 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.06) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 73 ASN : amide:sc= -0.826 K(o=-0.83,f=-5.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -141:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.801 17.758 6.660 1.00 0.00 N ATOM 174 CA ILE A 11 11.562 17.026 6.895 1.00 0.00 C ATOM 175 C ILE A 11 10.382 17.979 7.051 1.00 0.00 C ATOM 176 O ILE A 11 10.367 18.823 7.946 1.00 0.00 O ATOM 177 CB ILE A 11 11.661 16.139 8.150 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.956 15.325 8.125 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.453 15.220 8.246 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.057 15.913 8.979 1.00 0.00 C ATOM 0 HA ILE A 11 11.401 16.391 6.024 1.00 0.00 H new ATOM 0 HB ILE A 11 11.675 16.781 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.745 14.312 8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.307 15.248 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.538 14.600 9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.544 15.819 8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.410 14.582 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.944 15.283 8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.296 16.916 8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.725 15.964 10.016 1.00 0.00 H new ATOM 192 N ALA A 12 9.393 17.836 6.175 1.00 0.00 N ATOM 193 CA ALA A 12 8.206 18.681 6.218 1.00 0.00 C ATOM 194 C ALA A 12 6.964 17.866 6.564 1.00 0.00 C ATOM 195 O ALA A 12 6.395 17.189 5.708 1.00 0.00 O ATOM 196 CB ALA A 12 8.018 19.394 4.888 1.00 0.00 C ATOM 0 H ALA A 12 9.390 17.143 5.427 1.00 0.00 H new ATOM 0 HA ALA A 12 8.349 19.426 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.128 20.022 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.890 20.015 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.901 18.657 4.093 1.00 0.00 H new ATOM 202 N LYS A 13 6.549 17.935 7.824 1.00 0.00 N ATOM 203 CA LYS A 13 5.373 17.205 8.284 1.00 0.00 C ATOM 204 C LYS A 13 4.347 18.154 8.894 1.00 0.00 C ATOM 205 O LYS A 13 4.704 19.157 9.512 1.00 0.00 O ATOM 206 CB LYS A 13 5.776 16.145 9.312 1.00 0.00 C ATOM 207 CG LYS A 13 6.108 16.718 10.679 1.00 0.00 C ATOM 208 CD LYS A 13 6.454 15.622 11.673 1.00 0.00 C ATOM 209 CE LYS A 13 7.866 15.100 11.460 1.00 0.00 C ATOM 210 NZ LYS A 13 7.881 13.860 10.636 1.00 0.00 N ATOM 0 H LYS A 13 7.010 18.489 8.546 1.00 0.00 H new ATOM 0 HA LYS A 13 4.921 16.715 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.964 15.425 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.641 15.598 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.946 17.409 10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.259 17.292 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.357 16.007 12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.743 14.802 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.467 15.867 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.329 14.899 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.046 13.037 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.967 13.754 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.641 13.922 9.929 1.00 0.00 H new ATOM 224 N LYS A 14 3.070 17.831 8.716 1.00 0.00 N ATOM 225 CA LYS A 14 1.991 18.653 9.251 1.00 0.00 C ATOM 226 C LYS A 14 1.456 18.068 10.554 1.00 0.00 C ATOM 227 O LYS A 14 0.991 16.928 10.589 1.00 0.00 O ATOM 228 CB LYS A 14 0.858 18.770 8.229 1.00 0.00 C ATOM 229 CG LYS A 14 1.007 19.954 7.289 1.00 0.00 C ATOM 230 CD LYS A 14 0.048 19.858 6.115 1.00 0.00 C ATOM 231 CE LYS A 14 -0.929 21.024 6.096 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.402 22.176 5.314 1.00 0.00 N ATOM 0 H LYS A 14 2.757 17.005 8.205 1.00 0.00 H new ATOM 0 HA LYS A 14 2.391 19.646 9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.814 17.853 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.091 18.855 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.823 20.879 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.032 20.000 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.613 19.840 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.504 18.920 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.876 20.697 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.134 21.342 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.639 23.064 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.631 22.093 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.830 22.177 4.366 1.00 0.00 H new ATOM 246 N ILE A 15 1.523 18.855 11.622 1.00 0.00 N ATOM 247 CA ILE A 15 1.043 18.416 12.926 1.00 0.00 C ATOM 248 C ILE A 15 -0.207 19.185 13.340 1.00 0.00 C ATOM 249 O ILE A 15 -0.660 20.082 12.629 1.00 0.00 O ATOM 250 CB ILE A 15 2.122 18.590 14.012 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.554 20.055 14.102 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.318 17.696 13.717 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.151 20.427 15.441 1.00 0.00 C ATOM 0 H ILE A 15 1.905 19.801 11.610 1.00 0.00 H new ATOM 0 HA ILE A 15 0.801 17.357 12.832 1.00 0.00 H new ATOM 0 HB ILE A 15 1.701 18.296 14.973 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.284 20.259 13.318 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.691 20.692 13.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.072 17.830 14.493 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.998 16.654 13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.742 17.963 12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.435 21.479 15.433 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.416 20.255 16.227 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.033 19.815 15.629 1.00 0.00 H new ATOM 265 N ASN A 16 -0.759 18.829 14.495 1.00 0.00 N ATOM 266 CA ASN A 16 -1.956 19.488 15.005 1.00 0.00 C ATOM 267 C ASN A 16 -1.862 19.698 16.513 1.00 0.00 C ATOM 268 O ASN A 16 -2.860 19.980 17.175 1.00 0.00 O ATOM 269 CB ASN A 16 -3.200 18.660 14.671 1.00 0.00 C ATOM 270 CG ASN A 16 -4.486 19.429 14.906 1.00 0.00 C ATOM 271 OD1 ASN A 16 -5.172 19.221 15.907 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.818 20.322 13.982 1.00 0.00 N ATOM 0 H ASN A 16 -0.397 18.088 15.095 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.036 20.463 14.525 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.154 18.344 13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.205 17.755 15.278 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.672 20.869 14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.219 20.461 13.168 1.00 0.00 H new ATOM 279 N SER A 17 -0.653 19.559 17.050 1.00 0.00 N ATOM 280 CA SER A 17 -0.428 19.731 18.480 1.00 0.00 C ATOM 281 C SER A 17 0.881 20.471 18.739 1.00 0.00 C ATOM 282 O SER A 17 1.896 20.205 18.094 1.00 0.00 O ATOM 283 CB SER A 17 -0.405 18.371 19.181 1.00 0.00 C ATOM 284 OG SER A 17 -1.379 17.499 18.634 1.00 0.00 O ATOM 0 H SER A 17 0.185 19.328 16.516 1.00 0.00 H new ATOM 0 HA SER A 17 -1.248 20.326 18.883 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.584 17.924 19.082 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.589 18.505 20.247 1.00 0.00 H new ATOM 0 HG SER A 17 -1.343 16.636 19.098 1.00 0.00 H new ATOM 290 N VAL A 18 0.850 21.402 19.687 1.00 0.00 N ATOM 291 CA VAL A 18 2.033 22.181 20.033 1.00 0.00 C ATOM 292 C VAL A 18 2.989 21.371 20.901 1.00 0.00 C ATOM 293 O VAL A 18 4.165 21.713 21.033 1.00 0.00 O ATOM 294 CB VAL A 18 1.654 23.476 20.775 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.660 24.288 19.960 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.092 23.156 22.152 1.00 0.00 C ATOM 0 H VAL A 18 0.018 21.635 20.229 1.00 0.00 H new ATOM 0 HA VAL A 18 2.528 22.439 19.097 1.00 0.00 H new ATOM 0 HB VAL A 18 2.555 24.076 20.906 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.404 25.199 20.501 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.104 24.549 18.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.242 23.699 19.795 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.830 24.083 22.662 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.202 22.535 22.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.841 22.620 22.735 1.00 0.00 H new ATOM 306 N ASP A 19 2.478 20.296 21.492 1.00 0.00 N ATOM 307 CA ASP A 19 3.287 19.436 22.347 1.00 0.00 C ATOM 308 C ASP A 19 4.448 18.829 21.565 1.00 0.00 C ATOM 309 O ASP A 19 5.555 18.691 22.085 1.00 0.00 O ATOM 310 CB ASP A 19 2.426 18.325 22.950 1.00 0.00 C ATOM 311 CG ASP A 19 3.150 17.556 24.037 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.089 18.120 24.637 1.00 0.00 O ATOM 313 OD2 ASP A 19 2.779 16.390 24.288 1.00 0.00 O ATOM 0 H ASP A 19 1.507 20.000 21.394 1.00 0.00 H new ATOM 0 HA ASP A 19 3.695 20.047 23.152 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.515 18.759 23.362 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.123 17.636 22.162 1.00 0.00 H new ATOM 318 N ASP A 20 4.186 18.467 20.314 1.00 0.00 N ATOM 319 CA ASP A 20 5.209 17.874 19.460 1.00 0.00 C ATOM 320 C ASP A 20 6.084 18.953 18.831 1.00 0.00 C ATOM 321 O ASP A 20 6.215 19.026 17.609 1.00 0.00 O ATOM 322 CB ASP A 20 4.560 17.024 18.366 1.00 0.00 C ATOM 323 CG ASP A 20 4.235 15.621 18.839 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.144 15.428 19.416 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.071 14.716 18.634 1.00 0.00 O ATOM 0 H ASP A 20 3.275 18.574 19.869 1.00 0.00 H new ATOM 0 HA ASP A 20 5.839 17.236 20.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.646 17.511 18.026 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.230 16.969 17.508 1.00 0.00 H new ATOM 330 N ILE A 21 6.680 19.790 19.674 1.00 0.00 N ATOM 331 CA ILE A 21 7.543 20.865 19.201 1.00 0.00 C ATOM 332 C ILE A 21 8.894 20.838 19.907 1.00 0.00 C ATOM 333 O ILE A 21 8.971 20.584 21.110 1.00 0.00 O ATOM 334 CB ILE A 21 6.892 22.244 19.414 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.599 22.354 18.604 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.860 23.353 19.029 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.834 23.634 18.856 1.00 0.00 C ATOM 0 H ILE A 21 6.581 19.744 20.688 1.00 0.00 H new ATOM 0 HA ILE A 21 7.692 20.703 18.133 1.00 0.00 H new ATOM 0 HB ILE A 21 6.647 22.353 20.470 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.838 22.286 17.543 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.958 21.505 18.841 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.385 24.321 19.185 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.756 23.285 19.646 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.134 23.249 17.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.929 23.643 18.248 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.564 23.695 19.910 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.457 24.488 18.592 1.00 0.00 H new ATOM 349 N ILE A 22 9.955 21.102 19.153 1.00 0.00 N ATOM 350 CA ILE A 22 11.303 21.110 19.708 1.00 0.00 C ATOM 351 C ILE A 22 12.044 22.389 19.332 1.00 0.00 C ATOM 352 O ILE A 22 11.490 23.268 18.672 1.00 0.00 O ATOM 353 CB ILE A 22 12.118 19.896 19.225 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.023 19.763 17.703 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.630 18.626 19.905 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.011 18.777 17.120 1.00 0.00 C ATOM 0 H ILE A 22 9.908 21.313 18.156 1.00 0.00 H new ATOM 0 HA ILE A 22 11.199 21.058 20.792 1.00 0.00 H new ATOM 0 HB ILE A 22 13.163 20.049 19.493 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.013 19.454 17.436 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.187 20.741 17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.216 17.777 19.553 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.745 18.724 20.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.579 18.466 19.665 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.887 18.734 16.038 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.026 19.096 17.356 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.833 17.789 17.545 1.00 0.00 H new ATOM 368 N ILE A 23 13.300 22.484 19.754 1.00 0.00 N ATOM 369 CA ILE A 23 14.119 23.653 19.459 1.00 0.00 C ATOM 370 C ILE A 23 14.507 23.695 17.985 1.00 0.00 C ATOM 371 O ILE A 23 14.690 24.768 17.409 1.00 0.00 O ATOM 372 CB ILE A 23 15.398 23.676 20.316 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.043 23.792 21.799 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.300 24.825 19.890 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.761 22.460 22.459 1.00 0.00 C ATOM 0 H ILE A 23 13.773 21.765 20.302 1.00 0.00 H new ATOM 0 HA ILE A 23 13.516 24.529 19.698 1.00 0.00 H new ATOM 0 HB ILE A 23 15.937 22.741 20.163 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.864 24.282 22.323 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.168 24.434 21.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.200 24.828 20.505 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.576 24.702 18.843 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.771 25.769 20.017 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.516 22.619 23.509 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.921 21.977 21.960 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.642 21.823 22.384 1.00 0.00 H new ATOM 387 N LYS A 24 14.629 22.520 17.377 1.00 0.00 N ATOM 388 CA LYS A 24 14.992 22.420 15.969 1.00 0.00 C ATOM 389 C LYS A 24 13.749 22.441 15.084 1.00 0.00 C ATOM 390 O LYS A 24 13.841 22.288 13.865 1.00 0.00 O ATOM 391 CB LYS A 24 15.789 21.138 15.716 1.00 0.00 C ATOM 392 CG LYS A 24 17.058 21.038 16.544 1.00 0.00 C ATOM 393 CD LYS A 24 17.964 22.238 16.324 1.00 0.00 C ATOM 394 CE LYS A 24 19.370 21.978 16.843 1.00 0.00 C ATOM 395 NZ LYS A 24 20.215 21.287 15.831 1.00 0.00 N ATOM 0 H LYS A 24 14.481 21.622 17.838 1.00 0.00 H new ATOM 0 HA LYS A 24 15.611 23.281 15.717 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.155 20.278 15.932 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.050 21.085 14.659 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.799 20.965 17.600 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.593 20.125 16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.005 22.474 15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.545 23.109 16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.836 22.924 17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.317 21.372 17.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.165 21.128 16.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.784 20.373 15.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.287 21.877 14.977 1.00 0.00 H new ATOM 409 N CYS A 25 12.590 22.632 15.704 1.00 0.00 N ATOM 410 CA CYS A 25 11.329 22.674 14.972 1.00 0.00 C ATOM 411 C CYS A 25 11.037 24.085 14.473 1.00 0.00 C ATOM 412 O CYS A 25 11.264 25.064 15.183 1.00 0.00 O ATOM 413 CB CYS A 25 10.184 22.187 15.861 1.00 0.00 C ATOM 414 SG CYS A 25 8.537 22.540 15.202 1.00 0.00 S ATOM 0 H CYS A 25 12.497 22.760 16.712 1.00 0.00 H new ATOM 0 HA CYS A 25 11.415 22.014 14.109 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.283 21.111 16.006 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.278 22.651 16.843 1.00 0.00 H new ATOM 0 HG CYS A 25 7.635 22.088 16.022 1.00 0.00 H new ATOM 420 N GLN A 26 10.535 24.180 13.246 1.00 0.00 N ATOM 421 CA GLN A 26 10.214 25.472 12.651 1.00 0.00 C ATOM 422 C GLN A 26 8.752 25.526 12.221 1.00 0.00 C ATOM 423 O GLN A 26 8.286 24.675 11.463 1.00 0.00 O ATOM 424 CB GLN A 26 11.122 25.744 11.450 1.00 0.00 C ATOM 425 CG GLN A 26 12.598 25.814 11.806 1.00 0.00 C ATOM 426 CD GLN A 26 13.496 25.744 10.587 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.831 24.659 10.110 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.892 26.904 10.075 1.00 0.00 N ATOM 0 H GLN A 26 10.342 23.379 12.645 1.00 0.00 H new ATOM 0 HA GLN A 26 10.380 26.242 13.405 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.973 24.960 10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.824 26.684 10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.794 26.741 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.844 24.995 12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.590 27.780 10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.498 26.919 9.254 1.00 0.00 H new ATOM 437 N CYS A 27 8.033 26.531 12.710 1.00 0.00 N ATOM 438 CA CYS A 27 6.623 26.694 12.377 1.00 0.00 C ATOM 439 C CYS A 27 6.344 28.106 11.873 1.00 0.00 C ATOM 440 O CYS A 27 7.267 28.885 11.635 1.00 0.00 O ATOM 441 CB CYS A 27 5.751 26.394 13.598 1.00 0.00 C ATOM 442 SG CYS A 27 5.879 27.625 14.916 1.00 0.00 S ATOM 0 H CYS A 27 8.403 27.244 13.338 1.00 0.00 H new ATOM 0 HA CYS A 27 6.378 25.989 11.583 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.711 26.325 13.280 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.028 25.419 13.998 1.00 0.00 H new ATOM 0 HG CYS A 27 5.104 27.286 15.903 1.00 0.00 H new ATOM 448 N TRP A 28 5.065 28.429 11.711 1.00 0.00 N ATOM 449 CA TRP A 28 4.665 29.747 11.232 1.00 0.00 C ATOM 450 C TRP A 28 3.820 30.471 12.275 1.00 0.00 C ATOM 451 O TRP A 28 2.921 29.883 12.876 1.00 0.00 O ATOM 452 CB TRP A 28 3.884 29.622 9.923 1.00 0.00 C ATOM 453 CG TRP A 28 4.748 29.282 8.747 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.225 28.047 8.410 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.239 30.188 7.753 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.983 28.131 7.267 1.00 0.00 N ATOM 457 CE2 TRP A 28 6.006 29.434 6.844 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.103 31.563 7.542 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.635 30.011 5.743 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.728 32.134 6.449 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.485 31.359 5.561 1.00 0.00 C ATOM 0 H TRP A 28 4.288 27.797 11.904 1.00 0.00 H new ATOM 0 HA TRP A 28 5.568 30.331 11.053 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.119 28.854 10.037 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.367 30.561 9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.034 27.138 8.961 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.452 27.350 6.808 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.520 32.168 8.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.220 29.416 5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.631 33.196 6.277 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.960 31.835 4.716 1.00 0.00 H new ATOM 472 N VAL A 29 4.114 31.750 12.485 1.00 0.00 N ATOM 473 CA VAL A 29 3.380 32.555 13.454 1.00 0.00 C ATOM 474 C VAL A 29 2.591 33.662 12.765 1.00 0.00 C ATOM 475 O VAL A 29 3.035 34.222 11.763 1.00 0.00 O ATOM 476 CB VAL A 29 4.328 33.185 14.493 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.538 33.970 15.529 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.178 32.112 15.158 1.00 0.00 C ATOM 0 H VAL A 29 4.856 32.251 11.997 1.00 0.00 H new ATOM 0 HA VAL A 29 2.688 31.884 13.963 1.00 0.00 H new ATOM 0 HB VAL A 29 4.995 33.877 13.979 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.224 34.408 16.254 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.978 34.764 15.035 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.846 33.302 16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.842 32.574 15.889 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.530 31.394 15.660 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.772 31.598 14.402 1.00 0.00 H new ATOM 488 N GLN A 30 1.419 33.972 13.309 1.00 0.00 N ATOM 489 CA GLN A 30 0.567 35.013 12.746 1.00 0.00 C ATOM 490 C GLN A 30 0.972 36.388 13.267 1.00 0.00 C ATOM 491 O GLN A 30 0.930 36.645 14.470 1.00 0.00 O ATOM 492 CB GLN A 30 -0.900 34.739 13.081 1.00 0.00 C ATOM 493 CG GLN A 30 -1.851 35.808 12.570 1.00 0.00 C ATOM 494 CD GLN A 30 -3.284 35.320 12.481 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.792 34.679 13.401 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.944 35.622 11.369 1.00 0.00 N ATOM 0 H GLN A 30 1.038 33.517 14.139 1.00 0.00 H new ATOM 0 HA GLN A 30 0.692 35.003 11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.187 33.777 12.657 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.008 34.656 14.162 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.806 36.674 13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.523 36.141 11.585 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.484 36.156 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.911 35.320 11.252 1.00 0.00 H new ATOM 505 N LYS A 31 1.364 37.270 12.353 1.00 0.00 N ATOM 506 CA LYS A 31 1.775 38.620 12.719 1.00 0.00 C ATOM 507 C LYS A 31 1.308 39.632 11.678 1.00 0.00 C ATOM 508 O LYS A 31 1.540 39.459 10.482 1.00 0.00 O ATOM 509 CB LYS A 31 3.297 38.689 12.865 1.00 0.00 C ATOM 510 CG LYS A 31 3.788 38.374 14.268 1.00 0.00 C ATOM 511 CD LYS A 31 3.289 39.396 15.276 1.00 0.00 C ATOM 512 CE LYS A 31 3.975 39.230 16.623 1.00 0.00 C ATOM 513 NZ LYS A 31 3.712 37.890 17.218 1.00 0.00 N ATOM 0 H LYS A 31 1.406 37.073 11.353 1.00 0.00 H new ATOM 0 HA LYS A 31 1.312 38.868 13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.753 37.990 12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.636 39.687 12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.449 37.380 14.558 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.878 38.355 14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.469 40.402 14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.211 39.290 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.049 39.370 16.503 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.627 40.005 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.658 37.974 18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.811 37.519 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.483 37.240 16.963 1.00 0.00 H new ATOM 527 N ASN A 32 0.649 40.689 12.141 1.00 0.00 N ATOM 528 CA ASN A 32 0.150 41.730 11.249 1.00 0.00 C ATOM 529 C ASN A 32 -0.751 41.136 10.171 1.00 0.00 C ATOM 530 O ASN A 32 -0.565 41.392 8.981 1.00 0.00 O ATOM 531 CB ASN A 32 1.316 42.477 10.600 1.00 0.00 C ATOM 532 CG ASN A 32 0.859 43.689 9.811 1.00 0.00 C ATOM 533 OD1 ASN A 32 -0.211 44.242 10.066 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.670 44.107 8.846 1.00 0.00 N ATOM 0 H ASN A 32 0.448 40.848 13.128 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.437 42.432 11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.017 42.793 11.373 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.855 41.799 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.415 44.917 8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.548 43.618 8.670 1.00 0.00 H new ATOM 541 N ASP A 33 -1.728 40.342 10.595 1.00 0.00 N ATOM 542 CA ASP A 33 -2.660 39.712 9.667 1.00 0.00 C ATOM 543 C ASP A 33 -1.910 38.959 8.572 1.00 0.00 C ATOM 544 O ASP A 33 -2.401 38.822 7.452 1.00 0.00 O ATOM 545 CB ASP A 33 -3.579 40.763 9.042 1.00 0.00 C ATOM 546 CG ASP A 33 -4.561 41.341 10.041 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.745 40.729 11.114 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.147 42.405 9.751 1.00 0.00 O ATOM 0 H ASP A 33 -1.895 40.119 11.576 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.265 38.998 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.974 41.568 8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.129 40.315 8.214 1.00 0.00 H new ATOM 553 N GLU A 34 -0.719 38.473 8.905 1.00 0.00 N ATOM 554 CA GLU A 34 0.099 37.735 7.949 1.00 0.00 C ATOM 555 C GLU A 34 0.785 36.549 8.621 1.00 0.00 C ATOM 556 O GLU A 34 0.704 36.380 9.837 1.00 0.00 O ATOM 557 CB GLU A 34 1.147 38.656 7.322 1.00 0.00 C ATOM 558 CG GLU A 34 0.577 39.614 6.289 1.00 0.00 C ATOM 559 CD GLU A 34 1.594 40.633 5.814 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.780 40.266 5.676 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.204 41.796 5.579 1.00 0.00 O ATOM 0 H GLU A 34 -0.299 38.577 9.829 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.557 37.357 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.631 39.232 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.919 38.047 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.212 39.045 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.281 40.134 6.716 1.00 0.00 H new ATOM 568 N GLU A 35 1.459 35.731 7.819 1.00 0.00 N ATOM 569 CA GLU A 35 2.158 34.560 8.337 1.00 0.00 C ATOM 570 C GLU A 35 3.659 34.666 8.083 1.00 0.00 C ATOM 571 O GLU A 35 4.096 34.852 6.948 1.00 0.00 O ATOM 572 CB GLU A 35 1.610 33.285 7.692 1.00 0.00 C ATOM 573 CG GLU A 35 0.246 32.873 8.221 1.00 0.00 C ATOM 574 CD GLU A 35 -0.890 33.629 7.560 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.997 33.568 6.317 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.670 34.281 8.284 1.00 0.00 O ATOM 0 H GLU A 35 1.536 35.857 6.810 1.00 0.00 H new ATOM 0 HA GLU A 35 1.991 34.515 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.543 33.433 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.316 32.471 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.107 31.804 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.212 33.042 9.297 1.00 0.00 H new ATOM 583 N ARG A 36 4.443 34.547 9.150 1.00 0.00 N ATOM 584 CA ARG A 36 5.894 34.631 9.044 1.00 0.00 C ATOM 585 C ARG A 36 6.554 33.371 9.598 1.00 0.00 C ATOM 586 O ARG A 36 6.162 32.863 10.649 1.00 0.00 O ATOM 587 CB ARG A 36 6.411 35.861 9.794 1.00 0.00 C ATOM 588 CG ARG A 36 6.108 37.174 9.091 1.00 0.00 C ATOM 589 CD ARG A 36 6.736 38.353 9.818 1.00 0.00 C ATOM 590 NE ARG A 36 6.061 39.610 9.507 1.00 0.00 N ATOM 591 CZ ARG A 36 6.216 40.263 8.360 1.00 0.00 C ATOM 592 NH1 ARG A 36 7.018 39.780 7.421 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.568 41.402 8.151 1.00 0.00 N ATOM 0 H ARG A 36 4.097 34.392 10.097 1.00 0.00 H new ATOM 0 HA ARG A 36 6.151 34.722 7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.969 35.881 10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.489 35.769 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.482 37.135 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.029 37.315 9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.698 38.178 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.788 38.429 9.544 1.00 0.00 H new ATOM 0 HE ARG A 36 5.437 40.008 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.518 38.905 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.135 40.284 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.950 41.777 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.688 41.903 7.270 1.00 0.00 H new ATOM 607 N LEU A 37 7.556 32.872 8.883 1.00 0.00 N ATOM 608 CA LEU A 37 8.270 31.670 9.301 1.00 0.00 C ATOM 609 C LEU A 37 9.031 31.914 10.600 1.00 0.00 C ATOM 610 O LEU A 37 10.003 32.667 10.629 1.00 0.00 O ATOM 611 CB LEU A 37 9.238 31.221 8.206 1.00 0.00 C ATOM 612 CG LEU A 37 9.895 29.855 8.409 1.00 0.00 C ATOM 613 CD1 LEU A 37 9.093 28.768 7.711 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.329 29.872 7.900 1.00 0.00 C ATOM 0 H LEU A 37 7.893 33.281 8.011 1.00 0.00 H new ATOM 0 HA LEU A 37 7.536 30.882 9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.701 31.206 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.025 31.970 8.115 1.00 0.00 H new ATOM 0 HG LEU A 37 9.912 29.637 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.576 27.803 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.084 28.739 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.044 28.981 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.781 28.892 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.335 30.113 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.900 30.624 8.445 1.00 0.00 H new ATOM 626 N ALA A 38 8.582 31.270 11.673 1.00 0.00 N ATOM 627 CA ALA A 38 9.224 31.413 12.974 1.00 0.00 C ATOM 628 C ALA A 38 9.903 30.115 13.397 1.00 0.00 C ATOM 629 O ALA A 38 9.301 29.043 13.341 1.00 0.00 O ATOM 630 CB ALA A 38 8.206 31.844 14.019 1.00 0.00 C ATOM 0 H ALA A 38 7.776 30.644 11.667 1.00 0.00 H new ATOM 0 HA ALA A 38 9.991 32.183 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.699 31.947 14.986 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.770 32.800 13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.419 31.094 14.091 1.00 0.00 H new ATOM 636 N GLU A 39 11.159 30.220 13.819 1.00 0.00 N ATOM 637 CA GLU A 39 11.920 29.053 14.250 1.00 0.00 C ATOM 638 C GLU A 39 11.937 28.947 15.772 1.00 0.00 C ATOM 639 O GLU A 39 12.258 29.911 16.468 1.00 0.00 O ATOM 640 CB GLU A 39 13.352 29.124 13.716 1.00 0.00 C ATOM 641 CG GLU A 39 14.271 28.063 14.297 1.00 0.00 C ATOM 642 CD GLU A 39 15.515 27.845 13.457 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.525 28.281 12.287 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.478 27.239 13.970 1.00 0.00 O ATOM 0 H GLU A 39 11.671 31.101 13.872 1.00 0.00 H new ATOM 0 HA GLU A 39 11.434 28.165 13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.332 29.021 12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.764 30.109 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.565 28.355 15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.726 27.123 14.383 1.00 0.00 H new ATOM 651 N ILE A 40 11.590 27.770 16.282 1.00 0.00 N ATOM 652 CA ILE A 40 11.566 27.538 17.720 1.00 0.00 C ATOM 653 C ILE A 40 12.964 27.651 18.319 1.00 0.00 C ATOM 654 O ILE A 40 13.947 27.223 17.712 1.00 0.00 O ATOM 655 CB ILE A 40 10.986 26.152 18.057 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.599 25.990 17.433 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.920 25.957 19.565 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.558 26.916 18.023 1.00 0.00 C ATOM 0 H ILE A 40 11.322 26.962 15.720 1.00 0.00 H new ATOM 0 HA ILE A 40 10.925 28.306 18.153 1.00 0.00 H new ATOM 0 HB ILE A 40 11.643 25.389 17.640 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.669 26.172 16.360 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.270 24.959 17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.508 24.973 19.787 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.922 26.034 19.986 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.282 26.725 20.004 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.600 26.746 17.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.459 26.719 19.091 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.864 27.951 17.871 1.00 0.00 H new ATOM 670 N LEU A 41 13.046 28.227 19.513 1.00 0.00 N ATOM 671 CA LEU A 41 14.324 28.395 20.195 1.00 0.00 C ATOM 672 C LEU A 41 14.333 27.647 21.525 1.00 0.00 C ATOM 673 O LEU A 41 15.376 27.173 21.975 1.00 0.00 O ATOM 674 CB LEU A 41 14.609 29.879 20.430 1.00 0.00 C ATOM 675 CG LEU A 41 15.096 30.669 19.215 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.322 32.128 19.582 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.370 30.055 18.655 1.00 0.00 C ATOM 0 H LEU A 41 12.242 28.586 20.029 1.00 0.00 H new ATOM 0 HA LEU A 41 15.105 27.978 19.559 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.699 30.349 20.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.357 29.964 21.218 1.00 0.00 H new ATOM 0 HG LEU A 41 14.326 30.624 18.445 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.668 32.674 18.705 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.387 32.563 19.935 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.073 32.193 20.370 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.702 30.630 17.791 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.147 30.068 19.420 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.176 29.026 18.353 1.00 0.00 H new ATOM 689 N SER A 42 13.164 27.544 22.148 1.00 0.00 N ATOM 690 CA SER A 42 13.037 26.856 23.427 1.00 0.00 C ATOM 691 C SER A 42 11.572 26.587 23.757 1.00 0.00 C ATOM 692 O SER A 42 10.671 27.080 23.077 1.00 0.00 O ATOM 693 CB SER A 42 13.679 27.683 24.542 1.00 0.00 C ATOM 694 OG SER A 42 14.542 26.888 25.336 1.00 0.00 O ATOM 0 H SER A 42 12.291 27.928 21.788 1.00 0.00 H new ATOM 0 HA SER A 42 13.555 25.900 23.349 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.239 28.511 24.108 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.901 28.119 25.169 1.00 0.00 H new ATOM 0 HG SER A 42 14.941 27.441 26.040 1.00 0.00 H new ATOM 700 N ILE A 43 11.341 25.804 24.805 1.00 0.00 N ATOM 701 CA ILE A 43 9.986 25.470 25.226 1.00 0.00 C ATOM 702 C ILE A 43 9.815 25.663 26.729 1.00 0.00 C ATOM 703 O ILE A 43 10.671 25.267 27.518 1.00 0.00 O ATOM 704 CB ILE A 43 9.625 24.018 24.862 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.740 23.805 23.351 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.221 23.685 25.344 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.585 22.609 22.973 1.00 0.00 C ATOM 0 H ILE A 43 12.075 25.389 25.379 1.00 0.00 H new ATOM 0 HA ILE A 43 9.315 26.146 24.696 1.00 0.00 H new ATOM 0 HB ILE A 43 10.327 23.349 25.359 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.741 23.681 22.932 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.167 24.699 22.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.980 22.655 25.079 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.170 23.803 26.426 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.505 24.358 24.872 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.623 22.519 21.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.595 22.740 23.362 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.147 21.705 23.397 1.00 0.00 H new ATOM 719 N ASN A 44 8.700 26.275 27.118 1.00 0.00 N ATOM 720 CA ASN A 44 8.415 26.520 28.527 1.00 0.00 C ATOM 721 C ASN A 44 7.031 25.997 28.901 1.00 0.00 C ATOM 722 O ASN A 44 6.016 26.634 28.616 1.00 0.00 O ATOM 723 CB ASN A 44 8.507 28.015 28.835 1.00 0.00 C ATOM 724 CG ASN A 44 8.159 28.332 30.277 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.716 27.744 31.204 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.233 29.264 30.471 1.00 0.00 N ATOM 0 H ASN A 44 7.980 26.610 26.477 1.00 0.00 H new ATOM 0 HA ASN A 44 9.158 25.987 29.120 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.517 28.365 28.623 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.835 28.561 28.174 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.957 29.519 31.419 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.798 29.725 29.672 1.00 0.00 H new ATOM 733 N THR A 45 6.998 24.832 29.541 1.00 0.00 N ATOM 734 CA THR A 45 5.740 24.222 29.953 1.00 0.00 C ATOM 735 C THR A 45 5.465 24.475 31.431 1.00 0.00 C ATOM 736 O THR A 45 5.433 23.542 32.234 1.00 0.00 O ATOM 737 CB THR A 45 5.740 22.704 29.695 1.00 0.00 C ATOM 738 OG1 THR A 45 6.838 22.090 30.379 1.00 0.00 O ATOM 739 CG2 THR A 45 5.835 22.408 28.206 1.00 0.00 C ATOM 0 H THR A 45 7.828 24.292 29.785 1.00 0.00 H new ATOM 0 HA THR A 45 4.954 24.684 29.355 1.00 0.00 H new ATOM 0 HB THR A 45 4.803 22.294 30.072 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.736 22.220 31.345 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.833 21.329 28.049 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.982 22.851 27.692 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.758 22.831 27.809 1.00 0.00 H new ATOM 747 N ARG A 46 5.267 25.741 31.784 1.00 0.00 N ATOM 748 CA ARG A 46 4.995 26.115 33.166 1.00 0.00 C ATOM 749 C ARG A 46 3.631 26.788 33.289 1.00 0.00 C ATOM 750 O ARG A 46 3.287 27.331 34.339 1.00 0.00 O ATOM 751 CB ARG A 46 6.087 27.052 33.687 1.00 0.00 C ATOM 752 CG ARG A 46 7.388 26.343 34.025 1.00 0.00 C ATOM 753 CD ARG A 46 8.283 27.208 34.899 1.00 0.00 C ATOM 754 NE ARG A 46 9.392 26.447 35.468 1.00 0.00 N ATOM 755 CZ ARG A 46 9.272 25.650 36.524 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.097 25.511 37.123 1.00 0.00 N ATOM 757 NH2 ARG A 46 10.328 24.991 36.983 1.00 0.00 N ATOM 0 H ARG A 46 5.290 26.525 31.132 1.00 0.00 H new ATOM 0 HA ARG A 46 4.988 25.206 33.768 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.285 27.818 32.937 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.720 27.564 34.577 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.171 25.407 34.539 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.914 26.087 33.105 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.676 28.035 34.308 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.692 27.644 35.704 1.00 0.00 H new ATOM 0 HE ARG A 46 10.309 26.532 35.030 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.283 26.017 36.773 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.007 24.899 37.934 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.233 25.096 36.525 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.235 24.379 37.794 1.00 0.00 H new ATOM 771 N LYS A 47 2.859 26.749 32.209 1.00 0.00 N ATOM 772 CA LYS A 47 1.532 27.353 32.195 1.00 0.00 C ATOM 773 C LYS A 47 0.541 26.473 31.439 1.00 0.00 C ATOM 774 O LYS A 47 0.911 25.435 30.891 1.00 0.00 O ATOM 775 CB LYS A 47 1.588 28.742 31.554 1.00 0.00 C ATOM 776 CG LYS A 47 0.990 29.836 32.421 1.00 0.00 C ATOM 777 CD LYS A 47 1.777 30.023 33.707 1.00 0.00 C ATOM 778 CE LYS A 47 1.382 31.306 34.421 1.00 0.00 C ATOM 779 NZ LYS A 47 0.061 31.180 35.097 1.00 0.00 N ATOM 0 H LYS A 47 3.129 26.305 31.331 1.00 0.00 H new ATOM 0 HA LYS A 47 1.193 27.448 33.227 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.626 28.990 31.335 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.059 28.715 30.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.973 30.773 31.865 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.044 29.588 32.659 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.607 29.172 34.366 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.843 30.044 33.482 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.144 31.561 35.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.346 32.125 33.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.173 32.075 35.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.671 30.961 34.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.103 30.415 35.801 1.00 0.00 H new ATOM 793 N ALA A 48 -0.718 26.896 31.413 1.00 0.00 N ATOM 794 CA ALA A 48 -1.761 26.148 30.721 1.00 0.00 C ATOM 795 C ALA A 48 -2.715 27.085 29.988 1.00 0.00 C ATOM 796 O ALA A 48 -3.558 27.749 30.593 1.00 0.00 O ATOM 797 CB ALA A 48 -2.527 25.276 31.705 1.00 0.00 C ATOM 0 H ALA A 48 -1.041 27.753 31.863 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.283 25.507 29.980 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.302 24.723 31.174 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.841 24.574 32.179 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.987 25.905 32.467 1.00 0.00 H new ATOM 803 N PRO A 49 -2.581 27.144 28.655 1.00 0.00 N ATOM 804 CA PRO A 49 -1.581 26.359 27.925 1.00 0.00 C ATOM 805 C PRO A 49 -0.159 26.844 28.187 1.00 0.00 C ATOM 806 O PRO A 49 0.063 27.939 28.705 1.00 0.00 O ATOM 807 CB PRO A 49 -1.959 26.580 26.458 1.00 0.00 C ATOM 808 CG PRO A 49 -2.671 27.889 26.443 1.00 0.00 C ATOM 809 CD PRO A 49 -3.395 27.981 27.758 1.00 0.00 C ATOM 0 HA PRO A 49 -1.585 25.312 28.228 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.075 26.603 25.821 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.598 25.778 26.089 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.969 28.714 26.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.370 27.944 25.608 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.455 29.010 28.113 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.417 27.611 27.681 1.00 0.00 H new ATOM 817 N PRO A 50 0.827 26.012 27.822 1.00 0.00 N ATOM 818 CA PRO A 50 2.245 26.335 28.008 1.00 0.00 C ATOM 819 C PRO A 50 2.711 27.452 27.080 1.00 0.00 C ATOM 820 O PRO A 50 1.931 27.981 26.288 1.00 0.00 O ATOM 821 CB PRO A 50 2.956 25.024 27.665 1.00 0.00 C ATOM 822 CG PRO A 50 2.019 24.313 26.751 1.00 0.00 C ATOM 823 CD PRO A 50 0.635 24.691 27.200 1.00 0.00 C ATOM 0 HA PRO A 50 2.452 26.697 29.015 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.916 25.209 27.183 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.157 24.437 28.561 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.187 24.607 25.715 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.165 23.234 26.804 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.060 24.739 26.362 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.231 23.968 27.909 1.00 0.00 H new ATOM 831 N LYS A 51 3.988 27.806 27.183 1.00 0.00 N ATOM 832 CA LYS A 51 4.559 28.859 26.352 1.00 0.00 C ATOM 833 C LYS A 51 5.744 28.335 25.547 1.00 0.00 C ATOM 834 O LYS A 51 6.369 27.341 25.920 1.00 0.00 O ATOM 835 CB LYS A 51 5.001 30.039 27.220 1.00 0.00 C ATOM 836 CG LYS A 51 3.852 30.919 27.682 1.00 0.00 C ATOM 837 CD LYS A 51 4.354 32.222 28.283 1.00 0.00 C ATOM 838 CE LYS A 51 3.279 33.298 28.256 1.00 0.00 C ATOM 839 NZ LYS A 51 2.216 33.045 29.267 1.00 0.00 N ATOM 0 H LYS A 51 4.647 27.379 27.834 1.00 0.00 H new ATOM 0 HA LYS A 51 3.790 29.195 25.657 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.530 29.658 28.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.710 30.647 26.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.196 31.135 26.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.256 30.383 28.420 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.673 32.051 29.311 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.229 32.566 27.731 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.734 34.271 28.443 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.833 33.341 27.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.503 33.800 29.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.764 32.128 29.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.638 33.030 30.218 1.00 0.00 H new ATOM 853 N PHE A 52 6.049 29.008 24.443 1.00 0.00 N ATOM 854 CA PHE A 52 7.160 28.610 23.587 1.00 0.00 C ATOM 855 C PHE A 52 7.923 29.831 23.083 1.00 0.00 C ATOM 856 O PHE A 52 7.349 30.906 22.904 1.00 0.00 O ATOM 857 CB PHE A 52 6.648 27.790 22.401 1.00 0.00 C ATOM 858 CG PHE A 52 5.853 26.582 22.806 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.525 26.704 23.180 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.434 25.324 22.812 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.790 25.594 23.553 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.705 24.210 23.184 1.00 0.00 C ATOM 863 CZ PHE A 52 4.381 24.346 23.556 1.00 0.00 C ATOM 0 H PHE A 52 5.542 29.832 24.120 1.00 0.00 H new ATOM 0 HA PHE A 52 7.840 27.997 24.178 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.029 28.427 21.769 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.497 27.470 21.797 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.058 27.678 23.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.469 25.213 22.523 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.755 25.703 23.842 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.169 23.235 23.184 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.809 23.478 23.849 1.00 0.00 H new ATOM 873 N TYR A 53 9.221 29.658 22.858 1.00 0.00 N ATOM 874 CA TYR A 53 10.065 30.746 22.378 1.00 0.00 C ATOM 875 C TYR A 53 10.291 30.637 20.873 1.00 0.00 C ATOM 876 O TYR A 53 10.842 29.650 20.386 1.00 0.00 O ATOM 877 CB TYR A 53 11.409 30.738 23.109 1.00 0.00 C ATOM 878 CG TYR A 53 12.091 32.086 23.137 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.401 33.229 23.521 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.428 32.218 22.781 1.00 0.00 C ATOM 881 CE1 TYR A 53 12.020 34.463 23.548 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.056 33.448 22.806 1.00 0.00 C ATOM 883 CZ TYR A 53 13.348 34.568 23.189 1.00 0.00 C ATOM 884 OH TYR A 53 13.969 35.795 23.216 1.00 0.00 O ATOM 0 H TYR A 53 9.711 28.775 23.000 1.00 0.00 H new ATOM 0 HA TYR A 53 9.553 31.686 22.583 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.254 30.397 24.133 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.070 30.016 22.629 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.362 33.151 23.804 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.986 31.344 22.480 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.468 35.341 23.848 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.096 33.532 22.527 1.00 0.00 H new ATOM 0 HH TYR A 53 14.796 35.755 22.691 1.00 0.00 H new ATOM 894 N VAL A 54 9.862 31.661 20.142 1.00 0.00 N ATOM 895 CA VAL A 54 10.018 31.683 18.692 1.00 0.00 C ATOM 896 C VAL A 54 10.919 32.832 18.254 1.00 0.00 C ATOM 897 O VAL A 54 11.078 33.819 18.972 1.00 0.00 O ATOM 898 CB VAL A 54 8.657 31.812 17.983 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.873 30.514 18.090 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.863 32.973 18.563 1.00 0.00 C ATOM 0 H VAL A 54 9.404 32.486 20.530 1.00 0.00 H new ATOM 0 HA VAL A 54 10.478 30.736 18.408 1.00 0.00 H new ATOM 0 HB VAL A 54 8.835 32.014 16.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.914 30.625 17.583 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.439 29.708 17.624 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.703 30.277 19.140 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.904 33.050 18.051 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.694 32.803 19.626 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.422 33.899 18.428 1.00 0.00 H new ATOM 910 N HIS A 55 11.506 32.697 17.069 1.00 0.00 N ATOM 911 CA HIS A 55 12.391 33.725 16.533 1.00 0.00 C ATOM 912 C HIS A 55 12.161 33.914 15.037 1.00 0.00 C ATOM 913 O HIS A 55 12.201 32.955 14.267 1.00 0.00 O ATOM 914 CB HIS A 55 13.852 33.357 16.794 1.00 0.00 C ATOM 915 CG HIS A 55 14.820 34.091 15.918 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.698 35.432 15.620 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.933 33.665 15.276 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.693 35.798 14.831 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.457 34.744 14.608 1.00 0.00 N ATOM 0 H HIS A 55 11.385 31.886 16.462 1.00 0.00 H new ATOM 0 HA HIS A 55 12.165 34.664 17.039 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.090 33.564 17.837 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.980 32.285 16.645 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.334 32.662 15.287 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.854 36.790 14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.299 34.733 14.033 1.00 0.00 H new ATOM 927 N TYR A 56 11.920 35.157 14.633 1.00 0.00 N ATOM 928 CA TYR A 56 11.680 35.471 13.229 1.00 0.00 C ATOM 929 C TYR A 56 12.981 35.432 12.432 1.00 0.00 C ATOM 930 O TYR A 56 13.831 36.312 12.567 1.00 0.00 O ATOM 931 CB TYR A 56 11.029 36.848 13.097 1.00 0.00 C ATOM 932 CG TYR A 56 9.733 36.981 13.864 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.728 37.369 15.198 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.512 36.720 13.254 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.546 37.491 15.902 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.325 36.841 13.950 1.00 0.00 C ATOM 937 CZ TYR A 56 7.347 37.226 15.274 1.00 0.00 C ATOM 938 OH TYR A 56 6.168 37.348 15.972 1.00 0.00 O ATOM 0 H TYR A 56 11.886 35.963 15.257 1.00 0.00 H new ATOM 0 HA TYR A 56 11.005 34.717 12.825 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.729 37.607 13.448 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.840 37.052 12.043 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.665 37.579 15.693 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.491 36.417 12.218 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.561 37.792 16.939 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.385 36.635 13.460 1.00 0.00 H new ATOM 0 HH TYR A 56 6.352 37.705 16.866 1.00 0.00 H new ATOM 948 N VAL A 57 13.128 34.405 11.601 1.00 0.00 N ATOM 949 CA VAL A 57 14.323 34.250 10.780 1.00 0.00 C ATOM 950 C VAL A 57 14.495 35.432 9.832 1.00 0.00 C ATOM 951 O VAL A 57 15.614 35.862 9.557 1.00 0.00 O ATOM 952 CB VAL A 57 14.274 32.949 9.958 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.547 32.786 9.141 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.059 31.751 10.870 1.00 0.00 C ATOM 0 H VAL A 57 12.434 33.668 11.479 1.00 0.00 H new ATOM 0 HA VAL A 57 15.173 34.208 11.462 1.00 0.00 H new ATOM 0 HB VAL A 57 13.432 33.007 9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.495 31.861 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.653 33.631 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.407 32.749 9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.027 30.840 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.879 31.687 11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.117 31.866 11.406 1.00 0.00 H new ATOM 964 N ASN A 58 13.377 35.953 9.335 1.00 0.00 N ATOM 965 CA ASN A 58 13.404 37.085 8.417 1.00 0.00 C ATOM 966 C ASN A 58 13.891 38.347 9.124 1.00 0.00 C ATOM 967 O ASN A 58 14.391 39.274 8.487 1.00 0.00 O ATOM 968 CB ASN A 58 12.013 37.322 7.826 1.00 0.00 C ATOM 969 CG ASN A 58 12.066 38.052 6.497 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.457 39.109 6.332 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.797 37.489 5.542 1.00 0.00 N ATOM 0 H ASN A 58 12.442 35.609 9.553 1.00 0.00 H new ATOM 0 HA ASN A 58 14.099 36.851 7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.510 36.364 7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.415 37.900 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.871 37.934 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.285 36.612 5.723 1.00 0.00 H new ATOM 978 N TYR A 59 13.740 38.374 10.444 1.00 0.00 N ATOM 979 CA TYR A 59 14.162 39.522 11.237 1.00 0.00 C ATOM 980 C TYR A 59 15.355 39.166 12.119 1.00 0.00 C ATOM 981 O TYR A 59 15.897 38.065 12.035 1.00 0.00 O ATOM 982 CB TYR A 59 13.005 40.023 12.103 1.00 0.00 C ATOM 983 CG TYR A 59 11.838 40.557 11.305 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.003 41.611 10.415 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.569 40.006 11.439 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.939 42.102 9.684 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.499 40.490 10.711 1.00 0.00 C ATOM 988 CZ TYR A 59 9.689 41.538 9.835 1.00 0.00 C ATOM 989 OH TYR A 59 8.627 42.024 9.107 1.00 0.00 O ATOM 0 H TYR A 59 13.329 37.614 10.987 1.00 0.00 H new ATOM 0 HA TYR A 59 14.464 40.314 10.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.658 39.208 12.737 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.371 40.808 12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.980 42.054 10.293 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.417 39.185 12.124 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.085 42.923 8.998 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.520 40.050 10.827 1.00 0.00 H new ATOM 0 HH TYR A 59 8.951 42.379 8.253 1.00 0.00 H new ATOM 999 N ASN A 60 15.759 40.108 12.965 1.00 0.00 N ATOM 1000 CA ASN A 60 16.888 39.895 13.864 1.00 0.00 C ATOM 1001 C ASN A 60 16.458 39.115 15.102 1.00 0.00 C ATOM 1002 O ASN A 60 15.271 38.863 15.310 1.00 0.00 O ATOM 1003 CB ASN A 60 17.497 41.236 14.278 1.00 0.00 C ATOM 1004 CG ASN A 60 18.357 41.843 13.187 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.289 41.209 12.691 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.047 43.077 12.806 1.00 0.00 N ATOM 0 H ASN A 60 15.322 41.026 13.047 1.00 0.00 H new ATOM 0 HA ASN A 60 17.639 39.311 13.332 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.698 41.931 14.535 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.099 41.097 15.176 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.590 43.537 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.266 43.565 13.245 1.00 0.00 H new ATOM 1013 N LYS A 61 17.432 38.735 15.923 1.00 0.00 N ATOM 1014 CA LYS A 61 17.156 37.984 17.142 1.00 0.00 C ATOM 1015 C LYS A 61 16.443 38.858 18.169 1.00 0.00 C ATOM 1016 O LYS A 61 15.947 38.363 19.181 1.00 0.00 O ATOM 1017 CB LYS A 61 18.458 37.441 17.736 1.00 0.00 C ATOM 1018 CG LYS A 61 19.503 38.512 17.993 1.00 0.00 C ATOM 1019 CD LYS A 61 20.611 38.470 16.954 1.00 0.00 C ATOM 1020 CE LYS A 61 21.941 38.920 17.539 1.00 0.00 C ATOM 1021 NZ LYS A 61 22.685 39.811 16.606 1.00 0.00 N ATOM 0 H LYS A 61 18.420 38.935 15.766 1.00 0.00 H new ATOM 0 HA LYS A 61 16.504 37.149 16.885 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.235 36.931 18.673 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.873 36.695 17.058 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.030 39.494 17.982 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.929 38.375 18.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.708 37.457 16.565 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.347 39.111 16.113 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.766 39.444 18.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.550 38.046 17.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.585 40.096 17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.875 39.303 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.115 40.657 16.405 1.00 0.00 H new ATOM 1035 N ARG A 62 16.393 40.159 17.900 1.00 0.00 N ATOM 1036 CA ARG A 62 15.740 41.101 18.801 1.00 0.00 C ATOM 1037 C ARG A 62 14.229 41.095 18.590 1.00 0.00 C ATOM 1038 O ARG A 62 13.495 41.824 19.260 1.00 0.00 O ATOM 1039 CB ARG A 62 16.291 42.511 18.585 1.00 0.00 C ATOM 1040 CG ARG A 62 15.978 43.084 17.212 1.00 0.00 C ATOM 1041 CD ARG A 62 17.046 44.069 16.763 1.00 0.00 C ATOM 1042 NE ARG A 62 16.809 44.553 15.406 1.00 0.00 N ATOM 1043 CZ ARG A 62 17.393 45.632 14.898 1.00 0.00 C ATOM 1044 NH1 ARG A 62 18.244 46.336 15.630 1.00 0.00 N ATOM 1045 NH2 ARG A 62 17.126 46.009 13.654 1.00 0.00 N ATOM 0 H ARG A 62 16.797 40.584 17.066 1.00 0.00 H new ATOM 0 HA ARG A 62 15.948 40.791 19.825 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.881 43.173 19.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.372 42.495 18.725 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.901 42.274 16.487 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.009 43.582 17.237 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.071 44.915 17.450 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.024 43.590 16.811 1.00 0.00 H new ATOM 0 HE ARG A 62 16.159 44.034 14.816 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.452 46.050 16.587 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.691 47.164 15.237 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.472 45.470 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.575 46.838 13.265 1.00 0.00 H new ATOM 1059 N LEU A 63 13.770 40.270 17.656 1.00 0.00 N ATOM 1060 CA LEU A 63 12.346 40.170 17.356 1.00 0.00 C ATOM 1061 C LEU A 63 11.729 38.956 18.043 1.00 0.00 C ATOM 1062 O LEU A 63 10.523 38.915 18.289 1.00 0.00 O ATOM 1063 CB LEU A 63 12.128 40.081 15.844 1.00 0.00 C ATOM 1064 CG LEU A 63 11.956 41.412 15.111 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.751 42.166 15.651 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.216 42.256 15.236 1.00 0.00 C ATOM 0 H LEU A 63 14.363 39.660 17.093 1.00 0.00 H new ATOM 0 HA LEU A 63 11.856 41.067 17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.976 39.554 15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.244 39.471 15.660 1.00 0.00 H new ATOM 0 HG LEU A 63 11.785 41.204 14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.644 43.111 15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.853 41.565 15.509 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.892 42.363 16.714 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.076 43.199 14.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.418 42.455 16.289 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.059 41.719 14.801 1.00 0.00 H new ATOM 1078 N ASP A 64 12.563 37.969 18.351 1.00 0.00 N ATOM 1079 CA ASP A 64 12.101 36.755 19.013 1.00 0.00 C ATOM 1080 C ASP A 64 11.297 37.091 20.265 1.00 0.00 C ATOM 1081 O ASP A 64 11.356 38.212 20.769 1.00 0.00 O ATOM 1082 CB ASP A 64 13.289 35.863 19.378 1.00 0.00 C ATOM 1083 CG ASP A 64 14.199 36.504 20.407 1.00 0.00 C ATOM 1084 OD1 ASP A 64 13.981 37.690 20.736 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.128 35.821 20.884 1.00 0.00 O ATOM 0 H ASP A 64 13.563 37.986 18.153 1.00 0.00 H new ATOM 0 HA ASP A 64 11.453 36.217 18.321 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.921 34.913 19.765 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.863 35.640 18.478 1.00 0.00 H new ATOM 1090 N GLU A 65 10.546 36.112 20.761 1.00 0.00 N ATOM 1091 CA GLU A 65 9.730 36.306 21.953 1.00 0.00 C ATOM 1092 C GLU A 65 9.036 35.007 22.354 1.00 0.00 C ATOM 1093 O GLU A 65 9.199 33.977 21.701 1.00 0.00 O ATOM 1094 CB GLU A 65 8.688 37.400 21.713 1.00 0.00 C ATOM 1095 CG GLU A 65 7.805 37.145 20.502 1.00 0.00 C ATOM 1096 CD GLU A 65 7.154 38.410 19.978 1.00 0.00 C ATOM 1097 OE1 GLU A 65 7.876 39.262 19.419 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.922 38.548 20.127 1.00 0.00 O ATOM 0 H GLU A 65 10.486 35.178 20.356 1.00 0.00 H new ATOM 0 HA GLU A 65 10.388 36.613 22.766 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.059 37.491 22.598 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.199 38.355 21.585 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.402 36.693 19.710 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.031 36.425 20.767 1.00 0.00 H new ATOM 1105 N TRP A 66 8.261 35.066 23.431 1.00 0.00 N ATOM 1106 CA TRP A 66 7.543 33.894 23.920 1.00 0.00 C ATOM 1107 C TRP A 66 6.083 33.930 23.482 1.00 0.00 C ATOM 1108 O TRP A 66 5.285 34.703 24.013 1.00 0.00 O ATOM 1109 CB TRP A 66 7.629 33.818 25.445 1.00 0.00 C ATOM 1110 CG TRP A 66 9.034 33.724 25.957 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.910 34.755 26.142 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.727 32.532 26.347 1.00 0.00 C ATOM 1113 NE1 TRP A 66 11.105 34.277 26.623 1.00 0.00 N ATOM 1114 CE2 TRP A 66 11.018 32.917 26.759 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.381 31.179 26.390 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.961 31.996 27.206 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.318 30.266 26.834 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.595 30.677 27.238 1.00 0.00 C ATOM 0 H TRP A 66 8.114 35.912 23.982 1.00 0.00 H new ATOM 0 HA TRP A 66 8.010 33.007 23.492 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.152 34.700 25.873 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.065 32.952 25.791 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.695 35.794 25.940 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.924 34.843 26.843 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.399 30.853 26.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.946 32.311 27.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.062 29.217 26.870 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.305 29.939 27.581 1.00 0.00 H new ATOM 1129 N ILE A 67 5.740 33.088 22.513 1.00 0.00 N ATOM 1130 CA ILE A 67 4.375 33.024 22.006 1.00 0.00 C ATOM 1131 C ILE A 67 3.618 31.846 22.612 1.00 0.00 C ATOM 1132 O ILE A 67 4.219 30.935 23.182 1.00 0.00 O ATOM 1133 CB ILE A 67 4.350 32.899 20.471 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.083 31.632 20.028 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.973 34.130 19.830 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.797 31.237 18.596 1.00 0.00 C ATOM 0 H ILE A 67 6.388 32.441 22.064 1.00 0.00 H new ATOM 0 HA ILE A 67 3.887 33.955 22.295 1.00 0.00 H new ATOM 0 HB ILE A 67 3.313 32.828 20.144 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.156 31.782 20.147 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.801 30.810 20.686 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.948 34.027 18.745 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.411 35.017 20.123 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.007 34.229 20.162 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.350 30.330 18.351 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.729 31.054 18.475 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.105 32.041 17.928 1.00 0.00 H new ATOM 1148 N THR A 68 2.295 31.871 22.484 1.00 0.00 N ATOM 1149 CA THR A 68 1.456 30.806 23.018 1.00 0.00 C ATOM 1150 C THR A 68 0.858 29.963 21.898 1.00 0.00 C ATOM 1151 O THR A 68 1.042 30.260 20.717 1.00 0.00 O ATOM 1152 CB THR A 68 0.315 31.371 23.885 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.057 32.672 23.417 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.733 31.452 25.345 1.00 0.00 C ATOM 0 H THR A 68 1.782 32.617 22.015 1.00 0.00 H new ATOM 0 HA THR A 68 2.097 30.179 23.638 1.00 0.00 H new ATOM 0 HB THR A 68 -0.539 30.698 23.806 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.784 33.024 23.972 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.089 31.854 25.937 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.987 30.456 25.706 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.601 32.105 25.439 1.00 0.00 H new ATOM 1162 N THR A 69 0.142 28.908 22.275 1.00 0.00 N ATOM 1163 CA THR A 69 -0.483 28.021 21.302 1.00 0.00 C ATOM 1164 C THR A 69 -1.377 28.799 20.343 1.00 0.00 C ATOM 1165 O THR A 69 -1.356 28.569 19.134 1.00 0.00 O ATOM 1166 CB THR A 69 -1.320 26.928 21.993 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.486 27.507 22.589 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.502 26.214 23.059 1.00 0.00 C ATOM 0 H THR A 69 -0.019 28.647 23.248 1.00 0.00 H new ATOM 0 HA THR A 69 0.324 27.550 20.741 1.00 0.00 H new ATOM 0 HB THR A 69 -1.621 26.201 21.239 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.013 26.805 23.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.113 25.447 23.534 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.370 25.750 22.598 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.176 26.934 23.810 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.161 29.722 20.890 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.063 30.535 20.082 1.00 0.00 C ATOM 1178 C ASP A 70 -2.278 31.444 19.141 1.00 0.00 C ATOM 1179 O ASP A 70 -2.836 32.014 18.203 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.971 31.375 20.982 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.020 32.137 20.197 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.399 31.668 19.104 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.461 33.203 20.675 1.00 0.00 O ATOM 0 H ASP A 70 -2.190 29.926 21.889 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.679 29.865 19.482 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.464 30.724 21.705 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.363 32.080 21.550 1.00 0.00 H new ATOM 1188 N ARG A 71 -0.981 31.576 19.399 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.120 32.417 18.576 1.00 0.00 C ATOM 1190 C ARG A 71 0.666 31.576 17.575 1.00 0.00 C ATOM 1191 O ARG A 71 1.588 32.069 16.924 1.00 0.00 O ATOM 1192 CB ARG A 71 0.844 33.213 19.458 1.00 0.00 C ATOM 1193 CG ARG A 71 0.162 34.283 20.294 1.00 0.00 C ATOM 1194 CD ARG A 71 1.106 35.435 20.602 1.00 0.00 C ATOM 1195 NE ARG A 71 0.540 36.361 21.579 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.960 37.612 21.736 1.00 0.00 C ATOM 1197 NH1 ARG A 71 1.946 38.083 20.985 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.394 38.393 22.647 1.00 0.00 N ATOM 0 H ARG A 71 -0.503 31.111 20.171 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.753 33.111 18.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.368 32.525 20.121 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.597 33.683 18.826 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.712 34.659 19.762 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.196 33.845 21.226 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.048 35.040 20.981 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.333 35.973 19.682 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.219 36.029 22.174 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.384 37.485 20.285 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.266 39.044 21.108 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.364 38.033 23.227 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.717 39.353 22.767 1.00 0.00 H new ATOM 1212 N ILE A 72 0.295 30.305 17.458 1.00 0.00 N ATOM 1213 CA ILE A 72 0.965 29.397 16.535 1.00 0.00 C ATOM 1214 C ILE A 72 0.043 29.000 15.387 1.00 0.00 C ATOM 1215 O ILE A 72 -1.159 28.821 15.577 1.00 0.00 O ATOM 1216 CB ILE A 72 1.450 28.123 17.253 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.421 28.484 18.379 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.108 27.175 16.262 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.547 27.409 19.436 1.00 0.00 C ATOM 0 H ILE A 72 -0.465 29.881 17.990 1.00 0.00 H new ATOM 0 HA ILE A 72 1.827 29.931 16.136 1.00 0.00 H new ATOM 0 HB ILE A 72 0.588 27.619 17.690 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.404 28.679 17.951 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.090 29.409 18.851 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.445 26.280 16.784 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.388 26.897 15.492 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.962 27.669 15.799 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.251 27.733 20.202 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.573 27.230 19.891 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.908 26.488 18.977 1.00 0.00 H new ATOM 1231 N ASN A 73 0.616 28.864 14.196 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.154 28.488 13.016 1.00 0.00 C ATOM 1233 C ASN A 73 0.008 27.001 12.712 1.00 0.00 C ATOM 1234 O ASN A 73 1.055 26.565 12.232 1.00 0.00 O ATOM 1235 CB ASN A 73 0.285 29.317 11.808 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.726 29.274 10.678 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.614 28.422 10.658 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.594 30.195 9.731 1.00 0.00 N ATOM 0 H ASN A 73 1.611 29.008 14.022 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.206 28.687 13.221 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.437 30.351 12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.245 28.948 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.244 30.216 8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.158 30.882 9.789 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.035 26.228 12.995 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.010 24.790 12.752 1.00 0.00 C ATOM 1247 C LEU A 74 -1.618 24.457 11.393 1.00 0.00 C ATOM 1248 O LEU A 74 -2.041 23.326 11.152 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.766 24.052 13.858 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.957 23.705 15.107 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.090 22.649 14.789 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.302 24.952 15.683 1.00 0.00 C ATOM 0 H LEU A 74 -1.908 26.573 13.393 1.00 0.00 H new ATOM 0 HA LEU A 74 0.030 24.464 12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.617 24.663 14.159 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.168 23.128 13.442 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.638 23.298 15.855 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.656 22.415 15.691 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.402 21.747 14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.767 23.027 14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.270 24.685 16.572 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.365 25.389 14.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.071 25.677 15.950 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.658 25.447 10.509 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.212 25.258 9.174 1.00 0.00 C ATOM 1266 C ASP A 75 -1.101 25.052 8.149 1.00 0.00 C ATOM 1267 O ASP A 75 -1.323 24.479 7.082 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.069 26.462 8.779 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.195 26.086 7.836 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.321 24.887 7.511 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -4.950 26.991 7.422 1.00 0.00 O ATOM 0 H ASP A 75 -1.313 26.389 10.693 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.838 24.366 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.487 26.917 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.438 27.214 8.305 1.00 0.00 H new ATOM 1276 N LYS A 76 0.097 25.525 8.479 1.00 0.00 N ATOM 1277 CA LYS A 76 1.244 25.393 7.588 1.00 0.00 C ATOM 1278 C LYS A 76 2.133 24.230 8.016 1.00 0.00 C ATOM 1279 O LYS A 76 2.272 23.948 9.205 1.00 0.00 O ATOM 1280 CB LYS A 76 2.055 26.691 7.572 1.00 0.00 C ATOM 1281 CG LYS A 76 1.680 27.629 6.438 1.00 0.00 C ATOM 1282 CD LYS A 76 1.484 29.052 6.933 1.00 0.00 C ATOM 1283 CE LYS A 76 1.313 30.025 5.777 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.025 29.896 5.136 1.00 0.00 N ATOM 0 H LYS A 76 0.298 26.003 9.357 1.00 0.00 H new ATOM 0 HA LYS A 76 0.872 25.192 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.916 27.208 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.114 26.447 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.460 27.612 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.764 27.279 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.608 29.096 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.341 29.350 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.446 31.045 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.090 29.846 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.102 30.576 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.142 28.930 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.767 30.092 5.838 1.00 0.00 H new ATOM 1298 N GLU A 77 2.735 23.560 7.038 1.00 0.00 N ATOM 1299 CA GLU A 77 3.612 22.429 7.314 1.00 0.00 C ATOM 1300 C GLU A 77 4.673 22.802 8.345 1.00 0.00 C ATOM 1301 O GLU A 77 4.973 23.979 8.545 1.00 0.00 O ATOM 1302 CB GLU A 77 4.283 21.948 6.026 1.00 0.00 C ATOM 1303 CG GLU A 77 3.305 21.676 4.895 1.00 0.00 C ATOM 1304 CD GLU A 77 3.979 21.087 3.671 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.774 21.804 3.028 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.710 19.909 3.356 1.00 0.00 O ATOM 0 H GLU A 77 2.631 23.781 6.048 1.00 0.00 H new ATOM 0 HA GLU A 77 3.003 21.621 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.003 22.698 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.844 21.038 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.532 20.991 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.807 22.605 4.619 1.00 0.00 H new ATOM 1313 N VAL A 78 5.238 21.791 8.998 1.00 0.00 N ATOM 1314 CA VAL A 78 6.266 22.012 10.008 1.00 0.00 C ATOM 1315 C VAL A 78 7.602 21.422 9.570 1.00 0.00 C ATOM 1316 O VAL A 78 7.652 20.347 8.971 1.00 0.00 O ATOM 1317 CB VAL A 78 5.864 21.398 11.361 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.991 21.549 12.372 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.584 22.037 11.877 1.00 0.00 C ATOM 0 H VAL A 78 5.001 20.811 8.845 1.00 0.00 H new ATOM 0 HA VAL A 78 6.370 23.091 10.124 1.00 0.00 H new ATOM 0 HB VAL A 78 5.678 20.334 11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.689 21.109 13.322 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.881 21.039 12.003 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.212 22.607 12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.315 21.591 12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.739 23.108 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.780 21.871 11.160 1.00 0.00 H new ATOM 1329 N LEU A 79 8.684 22.130 9.874 1.00 0.00 N ATOM 1330 CA LEU A 79 10.022 21.677 9.513 1.00 0.00 C ATOM 1331 C LEU A 79 10.719 21.031 10.707 1.00 0.00 C ATOM 1332 O LEU A 79 10.752 21.597 11.800 1.00 0.00 O ATOM 1333 CB LEU A 79 10.857 22.849 8.994 1.00 0.00 C ATOM 1334 CG LEU A 79 11.241 22.796 7.515 1.00 0.00 C ATOM 1335 CD1 LEU A 79 10.032 23.084 6.639 1.00 0.00 C ATOM 1336 CD2 LEU A 79 12.363 23.781 7.220 1.00 0.00 C ATOM 0 H LEU A 79 8.661 23.021 10.370 1.00 0.00 H new ATOM 0 HA LEU A 79 9.925 20.931 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.303 23.771 9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.771 22.907 9.584 1.00 0.00 H new ATOM 0 HG LEU A 79 11.597 21.791 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.325 23.042 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.259 22.340 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.645 24.077 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.624 23.730 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.034 24.791 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.236 23.529 7.821 1.00 0.00 H new ATOM 1348 N TYR A 80 11.275 19.845 10.489 1.00 0.00 N ATOM 1349 CA TYR A 80 11.971 19.122 11.547 1.00 0.00 C ATOM 1350 C TYR A 80 13.438 18.906 11.185 1.00 0.00 C ATOM 1351 O TYR A 80 13.832 18.965 10.020 1.00 0.00 O ATOM 1352 CB TYR A 80 11.294 17.774 11.803 1.00 0.00 C ATOM 1353 CG TYR A 80 10.098 17.863 12.724 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.828 18.119 12.222 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.238 17.691 14.096 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.732 18.202 13.060 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.148 17.771 14.941 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.897 18.027 14.418 1.00 0.00 C ATOM 1359 OH TYR A 80 6.809 18.107 15.256 1.00 0.00 O ATOM 0 H TYR A 80 11.258 19.364 9.590 1.00 0.00 H new ATOM 0 HA TYR A 80 11.924 19.723 12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.978 17.349 10.850 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.023 17.087 12.233 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.695 18.255 11.159 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.216 17.491 14.509 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.752 18.403 12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.274 17.634 16.005 1.00 0.00 H new ATOM 0 HH TYR A 80 7.067 18.562 16.085 1.00 0.00 H new ATOM 1369 N PRO A 81 14.266 18.648 12.208 1.00 0.00 N ATOM 1370 CA PRO A 81 15.702 18.416 12.024 1.00 0.00 C ATOM 1371 C PRO A 81 15.991 17.091 11.328 1.00 0.00 C ATOM 1372 O PRO A 81 15.317 16.089 11.572 1.00 0.00 O ATOM 1373 CB PRO A 81 16.244 18.398 13.456 1.00 0.00 C ATOM 1374 CG PRO A 81 15.083 17.992 14.296 1.00 0.00 C ATOM 1375 CD PRO A 81 13.865 18.562 13.622 1.00 0.00 C ATOM 0 HA PRO A 81 16.160 19.175 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.071 17.695 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.621 19.378 13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.016 16.907 14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.183 18.376 15.311 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.995 17.919 13.754 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.603 19.540 14.026 1.00 0.00 H new