USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 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 22 THR OG1 : rot -47:sc= 0.0411 USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= 0.041 F(o=-0.46,f=0.082) USER MOD Single : A 16 SER OG : rot -50:sc= 0.0245 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -7.03! C(o=-7.9!,f=-7!) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.522 (180deg=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 113:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.3!) USER MOD Single : A 46 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.0091) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0515 F(o=-0.92,f=-0.051) USER MOD Single : A 62 GLN : amide:sc= -4.56! C(o=-4.6!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -6.57! C(o=-6.6!,f=-13!) USER MOD Single : A 74 THR OG1 : rot -156:sc= -0.0623 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.865 -12.980 11.607 1.00 0.00 N ATOM 160 CA LEU A 14 2.697 -12.825 10.166 1.00 0.00 C ATOM 161 C LEU A 14 1.592 -11.823 9.851 1.00 0.00 C ATOM 162 O LEU A 14 1.784 -10.901 9.058 1.00 0.00 O ATOM 163 CB LEU A 14 2.376 -14.175 9.521 1.00 0.00 C ATOM 164 CG LEU A 14 3.554 -15.135 9.353 1.00 0.00 C ATOM 165 CD1 LEU A 14 3.065 -16.507 8.916 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.557 -14.580 8.352 1.00 0.00 C ATOM 0 HA LEU A 14 3.633 -12.447 9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.613 -14.670 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.940 -13.991 8.539 1.00 0.00 H new ATOM 0 HG LEU A 14 4.053 -15.239 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.917 -17.177 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.386 -16.908 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.541 -16.420 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.388 -15.277 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.070 -14.445 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.932 -13.620 8.707 1.00 0.00 H new ATOM 178 N ARG A 15 0.437 -12.007 10.481 1.00 0.00 N ATOM 179 CA ARG A 15 -0.700 -11.118 10.269 1.00 0.00 C ATOM 180 C ARG A 15 -0.425 -9.735 10.853 1.00 0.00 C ATOM 181 O ARG A 15 -1.157 -8.782 10.587 1.00 0.00 O ATOM 182 CB ARG A 15 -1.962 -11.708 10.900 1.00 0.00 C ATOM 183 CG ARG A 15 -1.922 -11.746 12.419 1.00 0.00 C ATOM 184 CD ARG A 15 -3.223 -12.281 12.997 1.00 0.00 C ATOM 185 NE ARG A 15 -4.192 -11.217 13.243 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.015 -10.255 14.141 1.00 0.00 C ATOM 187 NH1 ARG A 15 -2.911 -10.224 14.875 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.943 -9.320 14.307 1.00 0.00 N ATOM 0 H ARG A 15 0.263 -12.764 11.143 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.854 -11.016 9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.825 -11.123 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.107 -12.720 10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.092 -12.372 12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.736 -10.743 12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.652 -13.010 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.016 -12.806 13.930 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.052 -11.212 12.695 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.195 -10.940 14.750 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.777 -9.484 15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.793 -9.340 13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.805 -8.582 14.997 1.00 0.00 H new ATOM 202 N SER A 16 0.634 -9.635 11.650 1.00 0.00 N ATOM 203 CA SER A 16 1.003 -8.371 12.275 1.00 0.00 C ATOM 204 C SER A 16 2.155 -7.709 11.525 1.00 0.00 C ATOM 205 O SER A 16 2.843 -6.842 12.062 1.00 0.00 O ATOM 206 CB SER A 16 1.394 -8.596 13.737 1.00 0.00 C ATOM 207 OG SER A 16 1.221 -7.414 14.499 1.00 0.00 O ATOM 0 H SER A 16 1.251 -10.414 11.878 1.00 0.00 H new ATOM 0 HA SER A 16 0.138 -7.709 12.235 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.787 -9.397 14.160 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.433 -8.920 13.793 1.00 0.00 H new ATOM 0 HG SER A 16 1.663 -6.665 14.046 1.00 0.00 H new ATOM 213 N PHE A 17 2.358 -8.126 10.279 1.00 0.00 N ATOM 214 CA PHE A 17 3.426 -7.575 9.454 1.00 0.00 C ATOM 215 C PHE A 17 3.068 -6.176 8.963 1.00 0.00 C ATOM 216 O PHE A 17 2.012 -5.966 8.366 1.00 0.00 O ATOM 217 CB PHE A 17 3.700 -8.492 8.259 1.00 0.00 C ATOM 218 CG PHE A 17 4.356 -7.791 7.104 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.609 -7.010 6.235 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.719 -7.912 6.885 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.209 -6.366 5.171 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.325 -7.269 5.823 1.00 0.00 C ATOM 223 CZ PHE A 17 5.569 -6.493 4.966 1.00 0.00 C ATOM 0 H PHE A 17 1.797 -8.843 9.819 1.00 0.00 H new ATOM 0 HA PHE A 17 4.325 -7.507 10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.336 -9.316 8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.759 -8.928 7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.546 -6.904 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.315 -8.516 7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.615 -5.763 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.388 -7.373 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.041 -5.986 4.137 1.00 0.00 H new ATOM 233 N LYS A 18 3.956 -5.221 9.220 1.00 0.00 N ATOM 234 CA LYS A 18 3.736 -3.840 8.804 1.00 0.00 C ATOM 235 C LYS A 18 4.754 -3.422 7.748 1.00 0.00 C ATOM 236 O LYS A 18 5.963 -3.498 7.970 1.00 0.00 O ATOM 237 CB LYS A 18 3.824 -2.903 10.012 1.00 0.00 C ATOM 238 CG LYS A 18 3.517 -1.453 9.679 1.00 0.00 C ATOM 239 CD LYS A 18 3.146 -0.663 10.923 1.00 0.00 C ATOM 240 CE LYS A 18 1.764 -1.042 11.431 1.00 0.00 C ATOM 241 NZ LYS A 18 1.197 0.003 12.328 1.00 0.00 N ATOM 0 H LYS A 18 4.834 -5.378 9.714 1.00 0.00 H new ATOM 0 HA LYS A 18 2.739 -3.771 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.130 -3.246 10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.825 -2.965 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.384 -0.997 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.698 -1.409 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.884 -0.844 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.173 0.404 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.095 -1.195 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.821 -1.989 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.254 -0.293 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.822 0.132 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.118 0.901 11.809 1.00 0.00 H new ATOM 255 N LEU A 19 4.257 -2.977 6.599 1.00 0.00 N ATOM 256 CA LEU A 19 5.122 -2.544 5.507 1.00 0.00 C ATOM 257 C LEU A 19 5.036 -1.034 5.310 1.00 0.00 C ATOM 258 O LEU A 19 4.028 -0.411 5.644 1.00 0.00 O ATOM 259 CB LEU A 19 4.740 -3.262 4.212 1.00 0.00 C ATOM 260 CG LEU A 19 5.427 -2.762 2.940 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.864 -3.254 2.880 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.655 -3.209 1.707 1.00 0.00 C ATOM 0 H LEU A 19 3.259 -2.907 6.399 1.00 0.00 H new ATOM 0 HA LEU A 19 6.149 -2.800 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.963 -4.323 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.662 -3.176 4.077 1.00 0.00 H new ATOM 0 HG LEU A 19 5.440 -1.672 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.336 -2.888 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.412 -2.883 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.876 -4.344 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.158 -2.845 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.610 -4.298 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.643 -2.805 1.745 1.00 0.00 H new ATOM 274 N SER A 20 6.099 -0.452 4.764 1.00 0.00 N ATOM 275 CA SER A 20 6.143 0.985 4.523 1.00 0.00 C ATOM 276 C SER A 20 6.647 1.286 3.114 1.00 0.00 C ATOM 277 O SER A 20 7.795 0.995 2.778 1.00 0.00 O ATOM 278 CB SER A 20 7.045 1.669 5.554 1.00 0.00 C ATOM 279 OG SER A 20 6.304 2.058 6.699 1.00 0.00 O ATOM 0 H SER A 20 6.941 -0.953 4.480 1.00 0.00 H new ATOM 0 HA SER A 20 5.130 1.375 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.846 0.991 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.516 2.544 5.107 1.00 0.00 H new ATOM 0 HG SER A 20 6.902 2.491 7.344 1.00 0.00 H new ATOM 285 N VAL A 21 5.778 1.868 2.293 1.00 0.00 N ATOM 286 CA VAL A 21 6.133 2.209 0.921 1.00 0.00 C ATOM 287 C VAL A 21 6.653 3.639 0.827 1.00 0.00 C ATOM 288 O VAL A 21 6.084 4.558 1.416 1.00 0.00 O ATOM 289 CB VAL A 21 4.929 2.047 -0.027 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.399 1.896 -1.465 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.078 0.858 0.392 1.00 0.00 C ATOM 0 H VAL A 21 4.823 2.113 2.555 1.00 0.00 H new ATOM 0 HA VAL A 21 6.920 1.519 0.617 1.00 0.00 H new ATOM 0 HB VAL A 21 4.314 2.945 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.535 1.783 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.963 2.781 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.036 1.016 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.232 0.758 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.680 -0.050 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.711 1.013 1.407 1.00 0.00 H new ATOM 301 N THR A 22 7.737 3.820 0.079 1.00 0.00 N ATOM 302 CA THR A 22 8.335 5.139 -0.093 1.00 0.00 C ATOM 303 C THR A 22 7.845 5.800 -1.378 1.00 0.00 C ATOM 304 O THR A 22 8.277 5.445 -2.474 1.00 0.00 O ATOM 305 CB THR A 22 9.872 5.060 -0.123 1.00 0.00 C ATOM 306 OG1 THR A 22 10.335 4.143 0.875 1.00 0.00 O ATOM 307 CG2 THR A 22 10.490 6.429 0.114 1.00 0.00 C ATOM 0 H THR A 22 8.219 3.070 -0.417 1.00 0.00 H new ATOM 0 HA THR A 22 8.027 5.740 0.763 1.00 0.00 H new ATOM 0 HB THR A 22 10.176 4.708 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.884 4.329 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.577 6.347 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.159 7.117 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.178 6.806 1.088 1.00 0.00 H new ATOM 315 N VAL A 23 6.943 6.766 -1.233 1.00 0.00 N ATOM 316 CA VAL A 23 6.397 7.478 -2.382 1.00 0.00 C ATOM 317 C VAL A 23 5.991 8.899 -2.006 1.00 0.00 C ATOM 318 O VAL A 23 5.269 9.112 -1.031 1.00 0.00 O ATOM 319 CB VAL A 23 5.175 6.746 -2.968 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.457 7.629 -3.978 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.597 5.431 -3.604 1.00 0.00 C ATOM 0 H VAL A 23 6.576 7.073 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 23 7.185 7.515 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 23 4.482 6.525 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.597 7.095 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.120 8.543 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.139 7.883 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.721 4.927 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.310 5.626 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.063 4.795 -2.851 1.00 0.00 H new ATOM 331 N ASP A 24 6.461 9.868 -2.784 1.00 0.00 N ATOM 332 CA ASP A 24 6.146 11.270 -2.533 1.00 0.00 C ATOM 333 C ASP A 24 4.671 11.442 -2.186 1.00 0.00 C ATOM 334 O ASP A 24 3.798 10.755 -2.717 1.00 0.00 O ATOM 335 CB ASP A 24 6.497 12.120 -3.755 1.00 0.00 C ATOM 336 CG ASP A 24 7.975 12.450 -3.824 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.515 12.969 -2.824 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.592 12.193 -4.879 1.00 0.00 O ATOM 0 H ASP A 24 7.061 9.709 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 24 6.742 11.604 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.203 11.589 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.922 13.045 -3.728 1.00 0.00 H new ATOM 343 N PRO A 25 4.383 12.380 -1.270 1.00 0.00 N ATOM 344 CA PRO A 25 3.014 12.663 -0.830 1.00 0.00 C ATOM 345 C PRO A 25 2.182 13.332 -1.920 1.00 0.00 C ATOM 346 O PRO A 25 1.007 13.637 -1.718 1.00 0.00 O ATOM 347 CB PRO A 25 3.210 13.615 0.352 1.00 0.00 C ATOM 348 CG PRO A 25 4.526 14.267 0.098 1.00 0.00 C ATOM 349 CD PRO A 25 5.373 13.236 -0.595 1.00 0.00 C ATOM 0 HA PRO A 25 2.471 11.752 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.407 14.351 0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.212 13.075 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.408 15.156 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.989 14.589 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.061 13.693 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.977 12.670 0.114 1.00 0.00 H new ATOM 357 N LYS A 26 2.799 13.557 -3.075 1.00 0.00 N ATOM 358 CA LYS A 26 2.116 14.187 -4.198 1.00 0.00 C ATOM 359 C LYS A 26 1.186 13.198 -4.894 1.00 0.00 C ATOM 360 O LYS A 26 0.072 13.548 -5.285 1.00 0.00 O ATOM 361 CB LYS A 26 3.135 14.736 -5.198 1.00 0.00 C ATOM 362 CG LYS A 26 3.956 13.658 -5.884 1.00 0.00 C ATOM 363 CD LYS A 26 5.242 14.220 -6.465 1.00 0.00 C ATOM 364 CE LYS A 26 4.974 15.053 -7.709 1.00 0.00 C ATOM 365 NZ LYS A 26 6.178 15.819 -8.134 1.00 0.00 N ATOM 0 H LYS A 26 3.772 13.312 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 26 1.517 15.011 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.611 15.319 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.808 15.419 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.193 12.870 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.366 13.201 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.743 14.833 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.919 13.402 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.654 14.400 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.154 15.744 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.954 16.374 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.469 16.461 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.953 15.158 -8.345 1.00 0.00 H new ATOM 379 N TYR A 27 1.650 11.963 -5.044 1.00 0.00 N ATOM 380 CA TYR A 27 0.859 10.924 -5.694 1.00 0.00 C ATOM 381 C TYR A 27 -0.074 10.245 -4.696 1.00 0.00 C ATOM 382 O TYR A 27 -1.046 9.595 -5.080 1.00 0.00 O ATOM 383 CB TYR A 27 1.777 9.884 -6.339 1.00 0.00 C ATOM 384 CG TYR A 27 2.821 10.483 -7.254 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.489 11.483 -8.159 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.140 10.048 -7.212 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.440 12.033 -8.997 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.098 10.593 -8.046 1.00 0.00 C ATOM 389 CZ TYR A 27 4.743 11.585 -8.937 1.00 0.00 C ATOM 390 OH TYR A 27 5.694 12.130 -9.770 1.00 0.00 O ATOM 0 H TYR A 27 2.569 11.656 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 27 0.253 11.395 -6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.277 9.316 -5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.170 9.178 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.470 11.837 -8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.421 9.271 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.164 12.810 -9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.119 10.244 -8.001 1.00 0.00 H new ATOM 0 HH TYR A 27 6.560 11.704 -9.600 1.00 0.00 H new ATOM 400 N HIS A 28 0.228 10.403 -3.411 1.00 0.00 N ATOM 401 CA HIS A 28 -0.584 9.806 -2.356 1.00 0.00 C ATOM 402 C HIS A 28 -2.069 10.024 -2.625 1.00 0.00 C ATOM 403 O HIS A 28 -2.846 9.078 -2.762 1.00 0.00 O ATOM 404 CB HIS A 28 -0.206 10.399 -0.997 1.00 0.00 C ATOM 405 CG HIS A 28 0.819 9.596 -0.258 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.763 8.737 -0.707 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.952 9.626 1.114 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.443 8.268 0.390 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.935 8.821 1.477 1.00 0.00 N flip ATOM 0 H HIS A 28 1.028 10.939 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.390 8.734 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.173 11.410 -1.144 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.103 10.481 -0.383 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.937 8.485 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.347 10.215 1.787 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.260 7.562 0.368 1.00 0.00 H new ATOM 417 N PRO A 29 -2.477 11.300 -2.702 1.00 0.00 N ATOM 418 CA PRO A 29 -3.872 11.672 -2.955 1.00 0.00 C ATOM 419 C PRO A 29 -4.310 11.344 -4.378 1.00 0.00 C ATOM 420 O PRO A 29 -5.482 11.487 -4.726 1.00 0.00 O ATOM 421 CB PRO A 29 -3.882 13.186 -2.729 1.00 0.00 C ATOM 422 CG PRO A 29 -2.481 13.618 -2.992 1.00 0.00 C ATOM 423 CD PRO A 29 -1.606 12.478 -2.550 1.00 0.00 C ATOM 0 HA PRO A 29 -4.562 11.126 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.582 13.682 -3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.188 13.432 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.332 13.837 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.244 14.528 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.710 12.397 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.274 12.602 -1.519 1.00 0.00 H new ATOM 431 N LYS A 30 -3.362 10.902 -5.197 1.00 0.00 N ATOM 432 CA LYS A 30 -3.651 10.550 -6.583 1.00 0.00 C ATOM 433 C LYS A 30 -3.934 9.057 -6.718 1.00 0.00 C ATOM 434 O LYS A 30 -4.693 8.637 -7.591 1.00 0.00 O ATOM 435 CB LYS A 30 -2.478 10.941 -7.484 1.00 0.00 C ATOM 436 CG LYS A 30 -2.169 12.428 -7.471 1.00 0.00 C ATOM 437 CD LYS A 30 -3.277 13.233 -8.129 1.00 0.00 C ATOM 438 CE LYS A 30 -3.219 13.127 -9.645 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.996 11.961 -10.149 1.00 0.00 N ATOM 0 H LYS A 30 -2.387 10.779 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.540 11.099 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.591 10.392 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.698 10.633 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.035 12.764 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.228 12.610 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.245 12.878 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.193 14.279 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.610 14.043 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.180 13.036 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.351 11.286 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.478 11.495 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.703 12.287 -10.839 1.00 0.00 H new ATOM 453 N ILE A 31 -3.319 8.262 -5.848 1.00 0.00 N ATOM 454 CA ILE A 31 -3.508 6.817 -5.870 1.00 0.00 C ATOM 455 C ILE A 31 -4.871 6.432 -5.306 1.00 0.00 C ATOM 456 O ILE A 31 -5.499 5.479 -5.769 1.00 0.00 O ATOM 457 CB ILE A 31 -2.409 6.094 -5.068 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.025 6.508 -5.571 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.587 4.587 -5.168 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.056 6.406 -4.517 1.00 0.00 C ATOM 0 H ILE A 31 -2.686 8.594 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.449 6.506 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.494 6.381 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.753 5.881 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.071 7.535 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.803 4.089 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.561 4.308 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.524 4.282 -6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.010 6.715 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.193 7.054 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.130 5.375 -4.170 1.00 0.00 H new ATOM 472 N ILE A 32 -5.323 7.180 -4.304 1.00 0.00 N ATOM 473 CA ILE A 32 -6.614 6.918 -3.679 1.00 0.00 C ATOM 474 C ILE A 32 -7.730 6.880 -4.717 1.00 0.00 C ATOM 475 O ILE A 32 -8.425 5.875 -4.860 1.00 0.00 O ATOM 476 CB ILE A 32 -6.951 7.983 -2.619 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.939 7.928 -1.471 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.365 7.780 -2.095 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.890 9.198 -0.649 1.00 0.00 C ATOM 0 H ILE A 32 -4.815 7.971 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.539 5.944 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.894 8.968 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.187 7.091 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.948 7.730 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.588 8.540 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.074 7.863 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.447 6.791 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.152 9.089 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.612 10.035 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.870 9.386 -0.211 1.00 0.00 H new ATOM 491 N GLY A 33 -7.896 7.983 -5.441 1.00 0.00 N ATOM 492 CA GLY A 33 -8.928 8.054 -6.459 1.00 0.00 C ATOM 493 C GLY A 33 -9.892 9.200 -6.226 1.00 0.00 C ATOM 494 O GLY A 33 -9.925 9.783 -5.142 1.00 0.00 O ATOM 0 H GLY A 33 -7.334 8.828 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.462 8.168 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.482 7.115 -6.477 1.00 0.00 H new ATOM 498 N ARG A 34 -10.680 9.525 -7.247 1.00 0.00 N ATOM 499 CA ARG A 34 -11.648 10.611 -7.150 1.00 0.00 C ATOM 500 C ARG A 34 -12.516 10.455 -5.904 1.00 0.00 C ATOM 501 O ARG A 34 -12.657 11.387 -5.112 1.00 0.00 O ATOM 502 CB ARG A 34 -12.531 10.648 -8.399 1.00 0.00 C ATOM 503 CG ARG A 34 -13.368 11.912 -8.514 1.00 0.00 C ATOM 504 CD ARG A 34 -14.217 11.903 -9.776 1.00 0.00 C ATOM 505 NE ARG A 34 -14.906 13.175 -9.981 1.00 0.00 N ATOM 506 CZ ARG A 34 -15.556 13.488 -11.096 1.00 0.00 C ATOM 507 NH1 ARG A 34 -15.607 12.625 -12.101 1.00 0.00 N ATOM 508 NH2 ARG A 34 -16.157 14.665 -11.207 1.00 0.00 N ATOM 0 H ARG A 34 -10.667 9.051 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.099 11.549 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.900 10.558 -9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.194 9.783 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.013 12.004 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.714 12.784 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.584 11.691 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.951 11.099 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.887 13.861 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.146 11.719 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.107 12.867 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.120 15.331 -10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.656 14.904 -12.064 1.00 0.00 H new ATOM 522 N LYS A 35 -13.097 9.272 -5.739 1.00 0.00 N ATOM 523 CA LYS A 35 -13.951 8.992 -4.591 1.00 0.00 C ATOM 524 C LYS A 35 -13.242 8.081 -3.593 1.00 0.00 C ATOM 525 O LYS A 35 -13.485 8.153 -2.390 1.00 0.00 O ATOM 526 CB LYS A 35 -15.260 8.344 -5.048 1.00 0.00 C ATOM 527 CG LYS A 35 -16.246 8.102 -3.918 1.00 0.00 C ATOM 528 CD LYS A 35 -17.661 7.925 -4.441 1.00 0.00 C ATOM 529 CE LYS A 35 -17.882 6.524 -4.990 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.320 6.138 -4.962 1.00 0.00 N ATOM 0 H LYS A 35 -12.992 8.491 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.174 9.938 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.729 8.981 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.035 7.394 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.950 7.214 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.217 8.941 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.373 8.119 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.855 8.658 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.512 6.473 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.303 5.809 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.429 5.177 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.667 6.162 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.870 6.805 -5.540 1.00 0.00 H new ATOM 544 N GLY A 36 -12.361 7.225 -4.104 1.00 0.00 N ATOM 545 CA GLY A 36 -11.630 6.313 -3.244 1.00 0.00 C ATOM 546 C GLY A 36 -11.902 4.859 -3.575 1.00 0.00 C ATOM 547 O GLY A 36 -11.863 3.998 -2.697 1.00 0.00 O ATOM 0 H GLY A 36 -12.141 7.147 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.562 6.509 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.901 6.503 -2.205 1.00 0.00 H new ATOM 551 N ALA A 37 -12.181 4.585 -4.846 1.00 0.00 N ATOM 552 CA ALA A 37 -12.462 3.226 -5.290 1.00 0.00 C ATOM 553 C ALA A 37 -11.176 2.495 -5.667 1.00 0.00 C ATOM 554 O ALA A 37 -10.935 1.373 -5.223 1.00 0.00 O ATOM 555 CB ALA A 37 -13.424 3.244 -6.467 1.00 0.00 C ATOM 0 H ALA A 37 -12.218 5.287 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.926 2.689 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.625 2.222 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.357 3.720 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.980 3.803 -7.291 1.00 0.00 H new ATOM 561 N VAL A 38 -10.355 3.140 -6.489 1.00 0.00 N ATOM 562 CA VAL A 38 -9.093 2.553 -6.926 1.00 0.00 C ATOM 563 C VAL A 38 -8.392 1.840 -5.775 1.00 0.00 C ATOM 564 O VAL A 38 -8.148 0.634 -5.836 1.00 0.00 O ATOM 565 CB VAL A 38 -8.149 3.620 -7.506 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.811 3.001 -7.884 1.00 0.00 C ATOM 567 CG2 VAL A 38 -8.787 4.302 -8.707 1.00 0.00 C ATOM 0 H VAL A 38 -10.541 4.069 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.333 1.830 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.971 4.375 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.156 3.771 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.349 2.564 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.968 2.224 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.104 5.054 -9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.997 3.560 -9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.717 4.782 -8.402 1.00 0.00 H new ATOM 577 N ILE A 39 -8.072 2.592 -4.728 1.00 0.00 N ATOM 578 CA ILE A 39 -7.400 2.031 -3.563 1.00 0.00 C ATOM 579 C ILE A 39 -8.219 0.903 -2.946 1.00 0.00 C ATOM 580 O ILE A 39 -7.684 -0.152 -2.600 1.00 0.00 O ATOM 581 CB ILE A 39 -7.141 3.106 -2.490 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.288 2.533 -1.358 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.457 3.644 -1.950 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.894 2.135 -1.792 1.00 0.00 C ATOM 0 H ILE A 39 -8.267 3.591 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.445 1.637 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.595 3.931 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.214 3.272 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.792 1.662 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.257 4.402 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.031 4.087 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.028 2.829 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.347 1.737 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.958 1.373 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.371 3.008 -2.183 1.00 0.00 H new ATOM 596 N THR A 40 -9.523 1.129 -2.811 1.00 0.00 N ATOM 597 CA THR A 40 -10.416 0.131 -2.237 1.00 0.00 C ATOM 598 C THR A 40 -10.268 -1.212 -2.944 1.00 0.00 C ATOM 599 O THR A 40 -10.128 -2.249 -2.298 1.00 0.00 O ATOM 600 CB THR A 40 -11.887 0.582 -2.319 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.080 1.771 -1.545 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.817 -0.513 -1.818 1.00 0.00 C ATOM 0 H THR A 40 -9.983 1.995 -3.092 1.00 0.00 H new ATOM 0 HA THR A 40 -10.135 0.020 -1.190 1.00 0.00 H new ATOM 0 HB THR A 40 -12.123 0.788 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.282 2.521 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.850 -0.172 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.689 -1.407 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.579 -0.746 -0.780 1.00 0.00 H new ATOM 610 N GLN A 41 -10.299 -1.182 -4.272 1.00 0.00 N ATOM 611 CA GLN A 41 -10.168 -2.399 -5.065 1.00 0.00 C ATOM 612 C GLN A 41 -8.854 -3.111 -4.757 1.00 0.00 C ATOM 613 O GLN A 41 -8.794 -4.341 -4.732 1.00 0.00 O ATOM 614 CB GLN A 41 -10.245 -2.071 -6.557 1.00 0.00 C ATOM 615 CG GLN A 41 -10.307 -3.302 -7.448 1.00 0.00 C ATOM 616 CD GLN A 41 -11.708 -3.868 -7.565 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.695 -3.136 -7.493 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.802 -5.181 -7.745 1.00 0.00 N ATOM 0 H GLN A 41 -10.413 -0.330 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.991 -3.064 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.126 -1.455 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.376 -1.475 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.939 -3.046 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.642 -4.068 -7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.957 -5.750 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.719 -5.620 -7.829 1.00 0.00 H new ATOM 627 N ILE A 42 -7.805 -2.330 -4.523 1.00 0.00 N ATOM 628 CA ILE A 42 -6.493 -2.886 -4.216 1.00 0.00 C ATOM 629 C ILE A 42 -6.471 -3.505 -2.822 1.00 0.00 C ATOM 630 O ILE A 42 -5.861 -4.553 -2.606 1.00 0.00 O ATOM 631 CB ILE A 42 -5.391 -1.814 -4.306 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.325 -1.238 -5.722 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.047 -2.400 -3.903 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.706 0.141 -5.785 1.00 0.00 C ATOM 0 H ILE A 42 -7.838 -1.311 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.297 -3.660 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.633 -1.006 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.750 -1.915 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.333 -1.194 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.279 -1.630 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.102 -2.766 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.795 -3.225 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.692 0.487 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.293 0.831 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.686 0.100 -5.402 1.00 0.00 H new ATOM 646 N ARG A 43 -7.143 -2.852 -1.880 1.00 0.00 N ATOM 647 CA ARG A 43 -7.201 -3.338 -0.506 1.00 0.00 C ATOM 648 C ARG A 43 -7.866 -4.710 -0.443 1.00 0.00 C ATOM 649 O ARG A 43 -7.427 -5.591 0.298 1.00 0.00 O ATOM 650 CB ARG A 43 -7.964 -2.348 0.376 1.00 0.00 C ATOM 651 CG ARG A 43 -7.181 -1.085 0.692 1.00 0.00 C ATOM 652 CD ARG A 43 -8.098 0.043 1.139 1.00 0.00 C ATOM 653 NE ARG A 43 -7.352 1.245 1.502 1.00 0.00 N ATOM 654 CZ ARG A 43 -7.920 2.344 1.987 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.233 2.391 2.167 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.174 3.397 2.293 1.00 0.00 N ATOM 0 H ARG A 43 -7.655 -1.985 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.180 -3.431 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.894 -2.074 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.235 -2.841 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.452 -1.294 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.621 -0.773 -0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.798 0.279 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.690 -0.288 1.993 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.340 1.241 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.809 1.582 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.667 3.236 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.164 3.363 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.610 4.240 2.665 1.00 0.00 H new ATOM 670 N LEU A 44 -8.926 -4.883 -1.223 1.00 0.00 N ATOM 671 CA LEU A 44 -9.654 -6.149 -1.257 1.00 0.00 C ATOM 672 C LEU A 44 -8.919 -7.175 -2.112 1.00 0.00 C ATOM 673 O LEU A 44 -8.779 -8.335 -1.723 1.00 0.00 O ATOM 674 CB LEU A 44 -11.067 -5.933 -1.799 1.00 0.00 C ATOM 675 CG LEU A 44 -12.032 -5.183 -0.880 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.174 -4.581 -1.682 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.568 -6.111 0.201 1.00 0.00 C ATOM 0 H LEU A 44 -9.302 -4.164 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.718 -6.531 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.994 -5.387 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.499 -6.907 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.487 -4.371 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.850 -4.051 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.774 -3.884 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.718 -5.375 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.253 -5.561 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.096 -6.944 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.739 -6.494 0.796 1.00 0.00 H new ATOM 689 N GLU A 45 -8.450 -6.742 -3.278 1.00 0.00 N ATOM 690 CA GLU A 45 -7.729 -7.625 -4.187 1.00 0.00 C ATOM 691 C GLU A 45 -6.753 -8.514 -3.422 1.00 0.00 C ATOM 692 O GLU A 45 -6.840 -9.741 -3.476 1.00 0.00 O ATOM 693 CB GLU A 45 -6.975 -6.807 -5.237 1.00 0.00 C ATOM 694 CG GLU A 45 -6.483 -7.632 -6.414 1.00 0.00 C ATOM 695 CD GLU A 45 -5.789 -6.790 -7.467 1.00 0.00 C ATOM 696 OE1 GLU A 45 -6.038 -5.566 -7.507 1.00 0.00 O ATOM 697 OE2 GLU A 45 -4.997 -7.353 -8.251 1.00 0.00 O ATOM 0 H GLU A 45 -8.556 -5.785 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.458 -8.262 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.628 -6.016 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.122 -6.321 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.795 -8.397 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.328 -8.151 -6.868 1.00 0.00 H new ATOM 704 N HIS A 46 -5.823 -7.887 -2.709 1.00 0.00 N ATOM 705 CA HIS A 46 -4.830 -8.619 -1.933 1.00 0.00 C ATOM 706 C HIS A 46 -5.298 -8.808 -0.493 1.00 0.00 C ATOM 707 O HIS A 46 -4.581 -9.373 0.334 1.00 0.00 O ATOM 708 CB HIS A 46 -3.490 -7.884 -1.954 1.00 0.00 C ATOM 709 CG HIS A 46 -3.141 -7.314 -3.294 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.774 -8.092 -4.371 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.106 -6.031 -3.728 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.527 -7.314 -5.411 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.722 -6.059 -5.047 1.00 0.00 N ATOM 0 H HIS A 46 -5.737 -6.872 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.703 -9.601 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.516 -7.078 -1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.703 -8.572 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.337 -5.151 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.218 -7.647 -6.391 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.606 -5.243 -5.648 1.00 0.00 H new ATOM 721 N ASP A 47 -6.503 -8.332 -0.200 1.00 0.00 N ATOM 722 CA ASP A 47 -7.066 -8.448 1.140 1.00 0.00 C ATOM 723 C ASP A 47 -6.128 -7.839 2.178 1.00 0.00 C ATOM 724 O ASP A 47 -5.852 -8.447 3.213 1.00 0.00 O ATOM 725 CB ASP A 47 -7.337 -9.915 1.477 1.00 0.00 C ATOM 726 CG ASP A 47 -8.355 -10.544 0.546 1.00 0.00 C ATOM 727 OD1 ASP A 47 -8.136 -10.505 -0.683 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.370 -11.074 1.045 1.00 0.00 O ATOM 0 H ASP A 47 -7.109 -7.862 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.007 -7.899 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.404 -10.476 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.694 -9.989 2.504 1.00 0.00 H new ATOM 733 N VAL A 48 -5.640 -6.636 1.895 1.00 0.00 N ATOM 734 CA VAL A 48 -4.733 -5.946 2.804 1.00 0.00 C ATOM 735 C VAL A 48 -5.258 -4.558 3.155 1.00 0.00 C ATOM 736 O VAL A 48 -6.055 -3.980 2.418 1.00 0.00 O ATOM 737 CB VAL A 48 -3.324 -5.810 2.196 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.646 -7.169 2.113 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.396 -5.157 0.824 1.00 0.00 C ATOM 0 H VAL A 48 -5.858 -6.119 1.043 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.673 -6.550 3.710 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.727 -5.171 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.652 -7.054 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.560 -7.595 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.239 -7.834 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.392 -5.069 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.009 -5.768 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.839 -4.165 0.916 1.00 0.00 H new ATOM 749 N ASN A 49 -4.805 -4.028 4.287 1.00 0.00 N ATOM 750 CA ASN A 49 -5.228 -2.707 4.736 1.00 0.00 C ATOM 751 C ASN A 49 -4.179 -1.654 4.394 1.00 0.00 C ATOM 752 O ASN A 49 -3.046 -1.713 4.871 1.00 0.00 O ATOM 753 CB ASN A 49 -5.484 -2.717 6.245 1.00 0.00 C ATOM 754 CG ASN A 49 -6.146 -1.441 6.727 1.00 0.00 C ATOM 755 OD1 ASN A 49 -7.363 -1.390 6.907 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.346 -0.403 6.940 1.00 0.00 N ATOM 0 H ASN A 49 -4.145 -4.494 4.910 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.153 -2.453 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.115 -3.569 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.539 -2.854 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.735 0.482 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.343 -0.491 6.778 1.00 0.00 H new ATOM 763 N ILE A 50 -4.567 -0.690 3.566 1.00 0.00 N ATOM 764 CA ILE A 50 -3.660 0.378 3.161 1.00 0.00 C ATOM 765 C ILE A 50 -4.112 1.724 3.720 1.00 0.00 C ATOM 766 O ILE A 50 -5.253 2.138 3.520 1.00 0.00 O ATOM 767 CB ILE A 50 -3.560 0.480 1.628 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.054 -0.839 1.039 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.643 1.628 1.232 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.490 -1.069 -0.390 1.00 0.00 C ATOM 0 H ILE A 50 -5.502 -0.626 3.163 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.679 0.129 3.565 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.554 0.679 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.965 -0.854 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.410 -1.664 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.583 1.687 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.041 2.564 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.648 1.457 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.095 -2.022 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.579 -1.087 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.111 -0.264 -1.020 1.00 0.00 H new ATOM 782 N GLN A 51 -3.208 2.401 4.420 1.00 0.00 N ATOM 783 CA GLN A 51 -3.514 3.700 5.007 1.00 0.00 C ATOM 784 C GLN A 51 -2.427 4.718 4.672 1.00 0.00 C ATOM 785 O GLN A 51 -1.236 4.427 4.778 1.00 0.00 O ATOM 786 CB GLN A 51 -3.663 3.576 6.524 1.00 0.00 C ATOM 787 CG GLN A 51 -4.527 4.664 7.141 1.00 0.00 C ATOM 788 CD GLN A 51 -4.746 4.461 8.628 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.570 3.644 9.040 1.00 0.00 O ATOM 790 NE2 GLN A 51 -4.007 5.206 9.442 1.00 0.00 N ATOM 0 H GLN A 51 -2.258 2.072 4.594 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.456 4.049 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.094 2.603 6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.674 3.606 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.057 5.634 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.492 4.687 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.336 5.871 9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.110 5.113 10.453 1.00 0.00 H new ATOM 799 N PHE A 52 -2.847 5.912 4.267 1.00 0.00 N ATOM 800 CA PHE A 52 -1.910 6.972 3.915 1.00 0.00 C ATOM 801 C PHE A 52 -1.762 7.970 5.061 1.00 0.00 C ATOM 802 O PHE A 52 -2.687 8.199 5.841 1.00 0.00 O ATOM 803 CB PHE A 52 -2.377 7.696 2.651 1.00 0.00 C ATOM 804 CG PHE A 52 -2.489 6.798 1.453 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.619 6.023 1.255 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.462 6.730 0.524 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.724 5.195 0.153 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.562 5.904 -0.580 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.695 5.137 -0.766 1.00 0.00 C ATOM 0 H PHE A 52 -3.830 6.169 4.175 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.938 6.516 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.347 8.156 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.680 8.503 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.428 6.066 1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.574 7.329 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.610 4.594 0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.755 5.859 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.776 4.493 -1.629 1.00 0.00 H new ATOM 819 N PRO A 53 -0.570 8.576 5.167 1.00 0.00 N ATOM 820 CA PRO A 53 -0.272 9.558 6.213 1.00 0.00 C ATOM 821 C PRO A 53 -1.031 10.866 6.014 1.00 0.00 C ATOM 822 O PRO A 53 -1.473 11.176 4.908 1.00 0.00 O ATOM 823 CB PRO A 53 1.235 9.786 6.068 1.00 0.00 C ATOM 824 CG PRO A 53 1.532 9.450 4.646 1.00 0.00 C ATOM 825 CD PRO A 53 0.578 8.350 4.273 1.00 0.00 C ATOM 0 HA PRO A 53 -0.570 9.204 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.503 10.818 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.799 9.151 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.396 10.319 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.566 9.126 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.288 8.408 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.020 7.366 4.427 1.00 0.00 H new ATOM 833 N ASP A 54 -1.176 11.630 7.091 1.00 0.00 N ATOM 834 CA ASP A 54 -1.880 12.906 7.035 1.00 0.00 C ATOM 835 C ASP A 54 -0.908 14.070 7.189 1.00 0.00 C ATOM 836 O ASP A 54 -0.103 14.102 8.120 1.00 0.00 O ATOM 837 CB ASP A 54 -2.951 12.972 8.124 1.00 0.00 C ATOM 838 CG ASP A 54 -4.127 13.843 7.730 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.908 15.039 7.444 1.00 0.00 O ATOM 840 OD2 ASP A 54 -5.266 13.330 7.707 1.00 0.00 O ATOM 0 H ASP A 54 -0.815 11.388 8.014 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.361 12.984 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.306 11.965 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.508 13.359 9.042 1.00 0.00 H new ATOM 845 N LYS A 55 -0.986 15.027 6.270 1.00 0.00 N ATOM 846 CA LYS A 55 -0.113 16.194 6.303 1.00 0.00 C ATOM 847 C LYS A 55 -0.393 17.048 7.534 1.00 0.00 C ATOM 848 O LYS A 55 0.412 17.902 7.907 1.00 0.00 O ATOM 849 CB LYS A 55 -0.299 17.031 5.035 1.00 0.00 C ATOM 850 CG LYS A 55 -1.592 17.827 5.015 1.00 0.00 C ATOM 851 CD LYS A 55 -2.779 16.951 4.650 1.00 0.00 C ATOM 852 CE LYS A 55 -3.952 17.782 4.153 1.00 0.00 C ATOM 853 NZ LYS A 55 -4.747 18.348 5.279 1.00 0.00 N ATOM 0 H LYS A 55 -1.646 15.017 5.492 1.00 0.00 H new ATOM 0 HA LYS A 55 0.918 15.844 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.542 17.718 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.275 16.371 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.758 18.278 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.507 18.644 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.484 16.239 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.086 16.370 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.583 18.593 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.596 17.164 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.537 18.908 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.121 17.573 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.139 18.959 5.861 1.00 0.00 H new ATOM 867 N ASP A 56 -1.540 16.812 8.163 1.00 0.00 N ATOM 868 CA ASP A 56 -1.925 17.559 9.355 1.00 0.00 C ATOM 869 C ASP A 56 -1.118 17.103 10.567 1.00 0.00 C ATOM 870 O ASP A 56 -0.763 17.909 11.428 1.00 0.00 O ATOM 871 CB ASP A 56 -3.421 17.388 9.629 1.00 0.00 C ATOM 872 CG ASP A 56 -4.275 18.282 8.753 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.779 19.348 8.330 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.441 17.918 8.490 1.00 0.00 O ATOM 0 H ASP A 56 -2.218 16.110 7.867 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.714 18.613 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.701 16.348 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.623 17.610 10.677 1.00 0.00 H new ATOM 879 N ASP A 57 -0.834 15.807 10.628 1.00 0.00 N ATOM 880 CA ASP A 57 -0.069 15.243 11.735 1.00 0.00 C ATOM 881 C ASP A 57 1.333 15.842 11.788 1.00 0.00 C ATOM 882 O ASP A 57 1.709 16.482 12.768 1.00 0.00 O ATOM 883 CB ASP A 57 0.017 13.722 11.600 1.00 0.00 C ATOM 884 CG ASP A 57 0.123 13.027 12.943 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.174 13.167 13.603 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.846 12.343 13.334 1.00 0.00 O ATOM 0 H ASP A 57 -1.122 15.127 9.924 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.584 15.489 12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.865 13.356 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.883 13.463 10.991 1.00 0.00 H new ATOM 891 N GLY A 58 2.102 15.631 10.723 1.00 0.00 N ATOM 892 CA GLY A 58 3.453 16.155 10.670 1.00 0.00 C ATOM 893 C GLY A 58 4.483 15.156 11.160 1.00 0.00 C ATOM 894 O GLY A 58 5.175 14.525 10.361 1.00 0.00 O ATOM 0 H GLY A 58 1.813 15.107 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.688 16.441 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.512 17.060 11.275 1.00 0.00 H new ATOM 898 N ASN A 59 4.586 15.014 12.477 1.00 0.00 N ATOM 899 CA ASN A 59 5.542 14.087 13.073 1.00 0.00 C ATOM 900 C ASN A 59 5.616 12.793 12.269 1.00 0.00 C ATOM 901 O ASN A 59 6.639 12.107 12.272 1.00 0.00 O ATOM 902 CB ASN A 59 5.150 13.779 14.519 1.00 0.00 C ATOM 903 CG ASN A 59 4.806 15.030 15.304 1.00 0.00 C ATOM 904 OD1 ASN A 59 3.695 15.171 15.814 1.00 0.00 O ATOM 905 ND2 ASN A 59 5.761 15.947 15.404 1.00 0.00 N ATOM 0 H ASN A 59 4.020 15.528 13.152 1.00 0.00 H new ATOM 0 HA ASN A 59 6.525 14.559 13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.295 13.103 14.525 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.971 13.258 15.012 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.588 16.810 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.668 15.789 14.965 1.00 0.00 H new ATOM 912 N GLN A 60 4.527 12.465 11.580 1.00 0.00 N ATOM 913 CA GLN A 60 4.470 11.253 10.771 1.00 0.00 C ATOM 914 C GLN A 60 4.869 11.543 9.327 1.00 0.00 C ATOM 915 O GLN A 60 4.650 12.637 8.805 1.00 0.00 O ATOM 916 CB GLN A 60 3.066 10.651 10.814 1.00 0.00 C ATOM 917 CG GLN A 60 2.624 10.235 12.208 1.00 0.00 C ATOM 918 CD GLN A 60 1.235 9.630 12.223 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.284 10.313 11.596 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.017 8.559 12.793 1.00 0.00 N flip ATOM 0 H GLN A 60 3.672 13.022 11.566 1.00 0.00 H new ATOM 0 HA GLN A 60 5.177 10.535 11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.356 11.378 10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.032 9.782 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.335 9.513 12.610 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.645 11.104 12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.777 8.067 13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.076 8.165 12.795 1.00 0.00 H new ATOM 929 N PRO A 61 5.469 10.542 8.666 1.00 0.00 N ATOM 930 CA PRO A 61 5.911 10.666 7.275 1.00 0.00 C ATOM 931 C PRO A 61 4.740 10.739 6.300 1.00 0.00 C ATOM 932 O PRO A 61 3.813 9.933 6.368 1.00 0.00 O ATOM 933 CB PRO A 61 6.720 9.387 7.044 1.00 0.00 C ATOM 934 CG PRO A 61 6.169 8.409 8.023 1.00 0.00 C ATOM 935 CD PRO A 61 5.763 9.213 9.228 1.00 0.00 C ATOM 0 HA PRO A 61 6.479 11.581 7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.610 9.028 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.784 9.556 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.316 7.876 7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.915 7.659 8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.892 8.784 9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.561 9.257 9.969 1.00 0.00 H new ATOM 943 N GLN A 62 4.791 11.710 5.393 1.00 0.00 N ATOM 944 CA GLN A 62 3.734 11.887 4.404 1.00 0.00 C ATOM 945 C GLN A 62 4.054 11.126 3.122 1.00 0.00 C ATOM 946 O GLN A 62 3.179 10.902 2.286 1.00 0.00 O ATOM 947 CB GLN A 62 3.540 13.373 4.095 1.00 0.00 C ATOM 948 CG GLN A 62 3.363 14.235 5.336 1.00 0.00 C ATOM 949 CD GLN A 62 2.261 13.729 6.245 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.151 13.447 5.795 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.563 13.613 7.533 1.00 0.00 N ATOM 0 H GLN A 62 5.552 12.385 5.323 1.00 0.00 H new ATOM 0 HA GLN A 62 2.810 11.486 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.401 13.734 3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.667 13.491 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.301 14.264 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.139 15.258 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.497 13.858 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.861 13.278 8.193 1.00 0.00 H new ATOM 960 N ASP A 63 5.314 10.733 2.973 1.00 0.00 N ATOM 961 CA ASP A 63 5.750 9.996 1.793 1.00 0.00 C ATOM 962 C ASP A 63 5.730 8.493 2.052 1.00 0.00 C ATOM 963 O ASP A 63 5.816 7.692 1.121 1.00 0.00 O ATOM 964 CB ASP A 63 7.156 10.436 1.382 1.00 0.00 C ATOM 965 CG ASP A 63 8.240 9.671 2.117 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.272 9.738 3.363 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.055 9.006 1.444 1.00 0.00 O ATOM 0 H ASP A 63 6.051 10.912 3.655 1.00 0.00 H new ATOM 0 HA ASP A 63 5.056 10.216 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.279 10.293 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.272 11.502 1.577 1.00 0.00 H new ATOM 972 N GLN A 64 5.615 8.118 3.323 1.00 0.00 N ATOM 973 CA GLN A 64 5.586 6.710 3.703 1.00 0.00 C ATOM 974 C GLN A 64 4.154 6.189 3.746 1.00 0.00 C ATOM 975 O GLN A 64 3.249 6.869 4.230 1.00 0.00 O ATOM 976 CB GLN A 64 6.253 6.514 5.065 1.00 0.00 C ATOM 977 CG GLN A 64 7.756 6.743 5.046 1.00 0.00 C ATOM 978 CD GLN A 64 8.533 5.484 4.710 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.585 5.146 3.426 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.080 4.825 5.593 1.00 0.00 N flip ATOM 0 H GLN A 64 5.541 8.768 4.105 1.00 0.00 H new ATOM 0 HA GLN A 64 6.138 6.145 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.799 7.196 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.053 5.502 5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.993 7.517 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.076 7.114 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.014 5.122 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.600 3.981 5.352 1.00 0.00 H new ATOM 989 N ILE A 65 3.955 4.977 3.235 1.00 0.00 N ATOM 990 CA ILE A 65 2.634 4.364 3.216 1.00 0.00 C ATOM 991 C ILE A 65 2.617 3.067 4.018 1.00 0.00 C ATOM 992 O ILE A 65 3.297 2.101 3.671 1.00 0.00 O ATOM 993 CB ILE A 65 2.170 4.071 1.777 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.477 5.261 0.866 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.682 3.749 1.754 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.157 5.006 -0.591 1.00 0.00 C ATOM 0 H ILE A 65 4.693 4.402 2.829 1.00 0.00 H new ATOM 0 HA ILE A 65 1.949 5.079 3.672 1.00 0.00 H new ATOM 0 HB ILE A 65 2.715 3.203 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.909 6.126 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.533 5.516 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.370 3.544 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.490 2.873 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.120 4.599 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.400 5.892 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.745 4.161 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.096 4.781 -0.696 1.00 0.00 H new ATOM 1008 N THR A 66 1.834 3.052 5.092 1.00 0.00 N ATOM 1009 CA THR A 66 1.727 1.874 5.944 1.00 0.00 C ATOM 1010 C THR A 66 0.781 0.843 5.341 1.00 0.00 C ATOM 1011 O THR A 66 -0.276 1.191 4.813 1.00 0.00 O ATOM 1012 CB THR A 66 1.233 2.245 7.355 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.708 3.546 7.715 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.707 1.225 8.380 1.00 0.00 C ATOM 0 H THR A 66 1.264 3.843 5.393 1.00 0.00 H new ATOM 0 HA THR A 66 2.726 1.445 6.018 1.00 0.00 H new ATOM 0 HB THR A 66 0.143 2.247 7.345 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.388 3.774 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.346 1.508 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.319 0.240 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.797 1.195 8.386 1.00 0.00 H new ATOM 1022 N ILE A 67 1.166 -0.426 5.421 1.00 0.00 N ATOM 1023 CA ILE A 67 0.351 -1.508 4.884 1.00 0.00 C ATOM 1024 C ILE A 67 0.444 -2.754 5.758 1.00 0.00 C ATOM 1025 O ILE A 67 1.521 -3.322 5.937 1.00 0.00 O ATOM 1026 CB ILE A 67 0.771 -1.870 3.448 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.635 -0.653 2.530 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.067 -3.028 2.926 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.170 -0.885 1.135 1.00 0.00 C ATOM 0 H ILE A 67 2.038 -0.730 5.853 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.679 -1.151 4.874 1.00 0.00 H new ATOM 0 HB ILE A 67 1.816 -2.179 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.416 -0.373 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.162 0.190 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.242 -3.272 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.075 -3.898 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.120 -2.745 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.040 0.019 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.230 -1.135 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.626 -1.707 0.669 1.00 0.00 H new ATOM 1041 N THR A 68 -0.694 -3.175 6.300 1.00 0.00 N ATOM 1042 CA THR A 68 -0.741 -4.354 7.156 1.00 0.00 C ATOM 1043 C THR A 68 -1.323 -5.551 6.412 1.00 0.00 C ATOM 1044 O THR A 68 -2.048 -5.391 5.430 1.00 0.00 O ATOM 1045 CB THR A 68 -1.580 -4.096 8.423 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.250 -2.817 8.976 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.340 -5.181 9.461 1.00 0.00 C ATOM 0 H THR A 68 -1.595 -2.718 6.162 1.00 0.00 H new ATOM 0 HA THR A 68 0.286 -4.574 7.447 1.00 0.00 H new ATOM 0 HB THR A 68 -2.634 -4.110 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.788 -2.659 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.943 -4.977 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.620 -6.149 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.285 -5.195 9.736 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.001 -6.751 6.886 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.501 -7.957 6.252 1.00 0.00 C ATOM 1057 C GLY A 69 -0.396 -8.943 5.932 1.00 0.00 C ATOM 1058 O GLY A 69 0.787 -8.616 6.035 1.00 0.00 O ATOM 0 H GLY A 69 -0.403 -6.909 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.230 -8.433 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.024 -7.691 5.333 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.780 -10.154 5.544 1.00 0.00 N ATOM 1063 CA TYR A 70 0.187 -11.193 5.211 1.00 0.00 C ATOM 1064 C TYR A 70 1.369 -10.611 4.443 1.00 0.00 C ATOM 1065 O TYR A 70 1.199 -10.012 3.381 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.480 -12.295 4.385 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.076 -13.404 5.221 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.368 -13.956 6.282 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.346 -13.898 4.952 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -0.908 -14.971 7.049 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -2.895 -14.911 5.715 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.172 -15.444 6.762 1.00 0.00 C ATOM 1073 OH TYR A 70 -2.714 -16.454 7.524 1.00 0.00 O ATOM 0 H TYR A 70 -1.755 -10.440 5.452 1.00 0.00 H new ATOM 0 HA TYR A 70 0.557 -11.621 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.265 -11.852 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.256 -12.721 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.620 -13.586 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.914 -13.483 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.344 -15.392 7.868 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.884 -15.283 5.493 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.610 -16.670 7.191 1.00 0.00 H new ATOM 1083 N GLU A 71 2.568 -10.793 4.988 1.00 0.00 N ATOM 1084 CA GLU A 71 3.780 -10.285 4.354 1.00 0.00 C ATOM 1085 C GLU A 71 3.688 -10.399 2.835 1.00 0.00 C ATOM 1086 O GLU A 71 4.001 -9.455 2.110 1.00 0.00 O ATOM 1087 CB GLU A 71 5.005 -11.050 4.861 1.00 0.00 C ATOM 1088 CG GLU A 71 6.278 -10.738 4.092 1.00 0.00 C ATOM 1089 CD GLU A 71 7.459 -11.565 4.558 1.00 0.00 C ATOM 1090 OE1 GLU A 71 8.141 -11.141 5.514 1.00 0.00 O ATOM 1091 OE2 GLU A 71 7.701 -12.639 3.967 1.00 0.00 O ATOM 0 H GLU A 71 2.726 -11.288 5.866 1.00 0.00 H new ATOM 0 HA GLU A 71 3.883 -9.232 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.160 -10.815 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.806 -12.120 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.110 -10.918 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.514 -9.680 4.202 1.00 0.00 H new ATOM 1098 N LYS A 72 3.258 -11.563 2.360 1.00 0.00 N ATOM 1099 CA LYS A 72 3.123 -11.803 0.928 1.00 0.00 C ATOM 1100 C LYS A 72 1.982 -10.978 0.343 1.00 0.00 C ATOM 1101 O LYS A 72 2.082 -10.465 -0.771 1.00 0.00 O ATOM 1102 CB LYS A 72 2.882 -13.290 0.659 1.00 0.00 C ATOM 1103 CG LYS A 72 1.491 -13.760 1.046 1.00 0.00 C ATOM 1104 CD LYS A 72 0.513 -13.615 -0.108 1.00 0.00 C ATOM 1105 CE LYS A 72 -0.674 -14.554 0.046 1.00 0.00 C ATOM 1106 NZ LYS A 72 -0.352 -15.935 -0.407 1.00 0.00 N ATOM 0 H LYS A 72 2.997 -12.356 2.946 1.00 0.00 H new ATOM 0 HA LYS A 72 4.052 -11.499 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.042 -13.490 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.620 -13.874 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.533 -14.803 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.136 -13.184 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.159 -12.585 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.024 -13.824 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.985 -14.578 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.517 -14.171 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.187 -16.544 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.080 -15.917 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.436 -16.311 0.158 1.00 0.00 H new ATOM 1120 N ASN A 73 0.898 -10.854 1.102 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.263 -10.089 0.659 1.00 0.00 C ATOM 1122 C ASN A 73 0.086 -8.613 0.502 1.00 0.00 C ATOM 1123 O ASN A 73 -0.377 -7.948 -0.426 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.415 -10.249 1.653 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.164 -11.554 1.463 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.942 -12.276 0.490 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.059 -11.863 2.394 1.00 0.00 N ATOM 0 H ASN A 73 0.799 -11.273 2.027 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.573 -10.476 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.024 -10.202 2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.108 -9.415 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.595 -12.728 2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.211 -11.236 3.184 1.00 0.00 H new ATOM 1134 N THR A 74 0.908 -8.103 1.415 1.00 0.00 N ATOM 1135 CA THR A 74 1.319 -6.706 1.379 1.00 0.00 C ATOM 1136 C THR A 74 2.085 -6.390 0.099 1.00 0.00 C ATOM 1137 O THR A 74 1.635 -5.594 -0.724 1.00 0.00 O ATOM 1138 CB THR A 74 2.198 -6.347 2.591 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.401 -7.124 2.571 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.451 -6.595 3.894 1.00 0.00 C ATOM 0 H THR A 74 1.302 -8.638 2.189 1.00 0.00 H new ATOM 0 HA THR A 74 0.408 -6.109 1.411 1.00 0.00 H new ATOM 0 HB THR A 74 2.448 -5.288 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.759 -7.197 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.092 -6.334 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.551 -5.981 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.175 -7.647 3.960 1.00 0.00 H new ATOM 1148 N GLU A 75 3.244 -7.021 -0.061 1.00 0.00 N ATOM 1149 CA GLU A 75 4.072 -6.806 -1.242 1.00 0.00 C ATOM 1150 C GLU A 75 3.211 -6.677 -2.494 1.00 0.00 C ATOM 1151 O GLU A 75 3.371 -5.740 -3.277 1.00 0.00 O ATOM 1152 CB GLU A 75 5.067 -7.957 -1.411 1.00 0.00 C ATOM 1153 CG GLU A 75 5.881 -8.247 -0.161 1.00 0.00 C ATOM 1154 CD GLU A 75 7.257 -8.800 -0.477 1.00 0.00 C ATOM 1155 OE1 GLU A 75 8.179 -7.993 -0.715 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.411 -10.039 -0.484 1.00 0.00 O ATOM 0 H GLU A 75 3.630 -7.684 0.611 1.00 0.00 H new ATOM 0 HA GLU A 75 4.623 -5.876 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.523 -8.857 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.746 -7.721 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.986 -7.331 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.341 -8.960 0.462 1.00 0.00 H new ATOM 1163 N ALA A 76 2.297 -7.624 -2.678 1.00 0.00 N ATOM 1164 CA ALA A 76 1.409 -7.616 -3.834 1.00 0.00 C ATOM 1165 C ALA A 76 0.724 -6.261 -3.990 1.00 0.00 C ATOM 1166 O ALA A 76 0.574 -5.755 -5.101 1.00 0.00 O ATOM 1167 CB ALA A 76 0.373 -8.723 -3.712 1.00 0.00 C ATOM 0 H ALA A 76 2.152 -8.407 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 76 2.011 -7.795 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.283 -8.705 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.877 -9.688 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.218 -8.570 -2.809 1.00 0.00 H new ATOM 1173 N ALA A 77 0.309 -5.681 -2.868 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.358 -4.386 -2.881 1.00 0.00 C ATOM 1175 C ALA A 77 0.648 -3.250 -3.031 1.00 0.00 C ATOM 1176 O ALA A 77 0.490 -2.377 -3.883 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.178 -4.202 -1.612 1.00 0.00 C ATOM 0 H ALA A 77 0.423 -6.088 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.027 -4.359 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.671 -3.230 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.930 -4.989 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.521 -4.255 -0.744 1.00 0.00 H new ATOM 1183 N ARG A 78 1.683 -3.269 -2.197 1.00 0.00 N ATOM 1184 CA ARG A 78 2.714 -2.239 -2.235 1.00 0.00 C ATOM 1185 C ARG A 78 3.331 -2.141 -3.628 1.00 0.00 C ATOM 1186 O ARG A 78 3.901 -1.112 -3.994 1.00 0.00 O ATOM 1187 CB ARG A 78 3.802 -2.538 -1.204 1.00 0.00 C ATOM 1188 CG ARG A 78 4.938 -3.391 -1.745 1.00 0.00 C ATOM 1189 CD ARG A 78 6.047 -2.534 -2.333 1.00 0.00 C ATOM 1190 NE ARG A 78 6.747 -3.215 -3.420 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.989 -2.925 -3.790 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.665 -1.971 -3.163 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.558 -3.588 -4.787 1.00 0.00 N ATOM 0 H ARG A 78 1.830 -3.986 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 78 2.248 -1.284 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.210 -1.597 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.352 -3.046 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.342 -4.011 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.555 -4.067 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.626 -1.599 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.759 -2.275 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 78 6.255 -3.954 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.231 -1.459 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.619 -1.750 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.042 -4.322 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.512 -3.364 -5.070 1.00 0.00 H new ATOM 1207 N ASP A 79 3.216 -3.216 -4.398 1.00 0.00 N ATOM 1208 CA ASP A 79 3.762 -3.252 -5.749 1.00 0.00 C ATOM 1209 C ASP A 79 3.000 -2.301 -6.668 1.00 0.00 C ATOM 1210 O ASP A 79 3.589 -1.655 -7.533 1.00 0.00 O ATOM 1211 CB ASP A 79 3.707 -4.675 -6.308 1.00 0.00 C ATOM 1212 CG ASP A 79 4.526 -4.833 -7.574 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.676 -4.348 -7.600 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.016 -5.440 -8.539 1.00 0.00 O ATOM 0 H ASP A 79 2.749 -4.076 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 79 4.802 -2.929 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.071 -5.373 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.670 -4.941 -6.514 1.00 0.00 H new ATOM 1219 N ALA A 80 1.688 -2.224 -6.474 1.00 0.00 N ATOM 1220 CA ALA A 80 0.847 -1.352 -7.285 1.00 0.00 C ATOM 1221 C ALA A 80 1.162 0.116 -7.020 1.00 0.00 C ATOM 1222 O ALA A 80 1.492 0.865 -7.941 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.623 -1.636 -7.012 1.00 0.00 C ATOM 0 H ALA A 80 1.184 -2.754 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 80 1.058 -1.558 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.240 -0.978 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.845 -2.674 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.838 -1.459 -5.958 1.00 0.00 H new ATOM 1229 N ILE A 81 1.058 0.521 -5.759 1.00 0.00 N ATOM 1230 CA ILE A 81 1.332 1.900 -5.375 1.00 0.00 C ATOM 1231 C ILE A 81 2.536 2.452 -6.133 1.00 0.00 C ATOM 1232 O ILE A 81 2.581 3.637 -6.468 1.00 0.00 O ATOM 1233 CB ILE A 81 1.594 2.022 -3.862 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.356 1.591 -3.073 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.987 3.447 -3.505 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.628 1.354 -1.604 1.00 0.00 C ATOM 0 H ILE A 81 0.786 -0.086 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 81 0.446 2.481 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 81 2.420 1.362 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.413 2.357 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.045 0.677 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.169 3.516 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.893 3.721 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.181 4.127 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.294 1.051 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.374 0.567 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.000 2.272 -1.150 1.00 0.00 H new ATOM 1248 N LEU A 82 3.506 1.587 -6.402 1.00 0.00 N ATOM 1249 CA LEU A 82 4.710 1.988 -7.122 1.00 0.00 C ATOM 1250 C LEU A 82 4.464 2.000 -8.628 1.00 0.00 C ATOM 1251 O LEU A 82 4.667 3.017 -9.292 1.00 0.00 O ATOM 1252 CB LEU A 82 5.865 1.041 -6.791 1.00 0.00 C ATOM 1253 CG LEU A 82 6.130 0.801 -5.305 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.208 -0.257 -5.119 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.529 2.099 -4.617 1.00 0.00 C ATOM 0 H LEU A 82 3.483 0.603 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 82 4.974 2.997 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.667 0.079 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.774 1.437 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 82 5.210 0.438 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.383 -0.415 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.883 -1.192 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.131 0.077 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.714 1.909 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.435 2.492 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.724 2.827 -4.719 1.00 0.00 H new ATOM 1267 N ARG A 83 4.022 0.866 -9.160 1.00 0.00 N ATOM 1268 CA ARG A 83 3.748 0.747 -10.587 1.00 0.00 C ATOM 1269 C ARG A 83 3.042 1.994 -11.111 1.00 0.00 C ATOM 1270 O ARG A 83 3.354 2.486 -12.195 1.00 0.00 O ATOM 1271 CB ARG A 83 2.889 -0.490 -10.861 1.00 0.00 C ATOM 1272 CG ARG A 83 2.891 -0.921 -12.319 1.00 0.00 C ATOM 1273 CD ARG A 83 1.703 -1.816 -12.637 1.00 0.00 C ATOM 1274 NE ARG A 83 1.905 -2.577 -13.867 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.021 -3.446 -14.346 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.117 -3.662 -13.702 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.276 -4.099 -15.472 1.00 0.00 N ATOM 0 H ARG A 83 3.846 0.016 -8.624 1.00 0.00 H new ATOM 0 HA ARG A 83 4.700 0.644 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.249 -1.315 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.864 -0.286 -10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.866 -0.040 -12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.817 -1.451 -12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.535 -2.504 -11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.805 -1.206 -12.731 1.00 0.00 H new ATOM 0 HE ARG A 83 2.771 -2.434 -14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.316 -3.161 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.794 -4.330 -14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.151 -3.934 -15.970 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.597 -4.766 -15.840 1.00 0.00 H new ATOM 1291 N ILE A 84 2.090 2.500 -10.333 1.00 0.00 N ATOM 1292 CA ILE A 84 1.342 3.690 -10.718 1.00 0.00 C ATOM 1293 C ILE A 84 2.253 4.909 -10.803 1.00 0.00 C ATOM 1294 O ILE A 84 2.435 5.489 -11.874 1.00 0.00 O ATOM 1295 CB ILE A 84 0.202 3.984 -9.725 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.678 2.745 -9.544 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.630 5.164 -10.207 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.387 2.698 -8.209 1.00 0.00 C ATOM 0 H ILE A 84 1.819 2.104 -9.433 1.00 0.00 H new ATOM 0 HA ILE A 84 0.915 3.489 -11.701 1.00 0.00 H new ATOM 0 HB ILE A 84 0.639 4.242 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.420 2.717 -10.342 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.061 1.853 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.432 5.359 -9.495 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.004 6.046 -10.290 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.059 4.932 -11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.992 1.793 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.650 2.695 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.030 3.572 -8.108 1.00 0.00 H new ATOM 1310 N VAL A 85 2.828 5.293 -9.667 1.00 0.00 N ATOM 1311 CA VAL A 85 3.723 6.442 -9.613 1.00 0.00 C ATOM 1312 C VAL A 85 4.543 6.560 -10.893 1.00 0.00 C ATOM 1313 O VAL A 85 4.549 7.604 -11.544 1.00 0.00 O ATOM 1314 CB VAL A 85 4.680 6.351 -8.410 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.671 7.505 -8.426 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.896 6.331 -7.106 1.00 0.00 C ATOM 0 H VAL A 85 2.689 4.824 -8.772 1.00 0.00 H new ATOM 0 HA VAL A 85 3.096 7.327 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 85 5.242 5.420 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.339 7.423 -7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.255 7.470 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.130 8.450 -8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.588 6.266 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.307 7.244 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.230 5.468 -7.095 1.00 0.00 H new ATOM 1326 N GLY A 86 5.236 5.482 -11.247 1.00 0.00 N ATOM 1327 CA GLY A 86 6.050 5.485 -12.448 1.00 0.00 C ATOM 1328 C GLY A 86 5.334 6.104 -13.633 1.00 0.00 C ATOM 1329 O GLY A 86 5.921 6.884 -14.381 1.00 0.00 O ATOM 0 H GLY A 86 5.248 4.607 -10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.972 6.035 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.334 4.462 -12.693 1.00 0.00 H new ATOM 1333 N GLU A 87 4.063 5.752 -13.803 1.00 0.00 N ATOM 1334 CA GLU A 87 3.268 6.277 -14.906 1.00 0.00 C ATOM 1335 C GLU A 87 2.927 7.747 -14.681 1.00 0.00 C ATOM 1336 O GLU A 87 3.143 8.589 -15.554 1.00 0.00 O ATOM 1337 CB GLU A 87 1.982 5.463 -15.071 1.00 0.00 C ATOM 1338 CG GLU A 87 2.113 4.021 -14.613 1.00 0.00 C ATOM 1339 CD GLU A 87 1.193 3.083 -15.369 1.00 0.00 C ATOM 1340 OE1 GLU A 87 0.059 3.497 -15.691 1.00 0.00 O ATOM 1341 OE2 GLU A 87 1.606 1.936 -15.638 1.00 0.00 O ATOM 0 H GLU A 87 3.563 5.106 -13.192 1.00 0.00 H new ATOM 0 HA GLU A 87 3.861 6.195 -15.817 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.183 5.944 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.685 5.477 -16.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.145 3.695 -14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.891 3.961 -13.547 1.00 0.00 H new ATOM 1348 N LEU A 88 2.391 8.050 -13.503 1.00 0.00 N ATOM 1349 CA LEU A 88 2.019 9.419 -13.160 1.00 0.00 C ATOM 1350 C LEU A 88 3.112 10.400 -13.573 1.00 0.00 C ATOM 1351 O LEU A 88 2.830 11.544 -13.925 1.00 0.00 O ATOM 1352 CB LEU A 88 1.755 9.535 -11.658 1.00 0.00 C ATOM 1353 CG LEU A 88 0.902 8.427 -11.039 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.593 8.742 -9.583 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.384 8.238 -11.831 1.00 0.00 C ATOM 0 H LEU A 88 2.204 7.366 -12.769 1.00 0.00 H new ATOM 0 HA LEU A 88 1.108 9.669 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.715 9.559 -11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.267 10.491 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 88 1.467 7.496 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.015 7.943 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.525 8.826 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.048 9.684 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.978 7.446 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.954 9.167 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.142 7.966 -12.858 1.00 0.00 H new