USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 47 ASN : amide:sc= -1.4 K(o=-2.8,f=-1.2) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.0461 K(o=-2.8,f=-0.78) USER MOD Set 1.3: A 55 ASN : amide:sc= -1.34 K(o=-2.8,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.298 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 155:sc= -3.56 USER MOD Single : A 38 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.17) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 5:sc= -0.0589 USER MOD Single : A 61 GLN : amide:sc= -0.383 K(o=-0.38,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0.878 (180deg=0.196) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 73 MET CE :methyl 166:sc= 0 (180deg=-0.391) USER MOD Single : A 75 SER OG : rot -100:sc= -0.543! USER MOD Single : A 76 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.9) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.401 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 81 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-6.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.086 -14.038 -1.321 1.00 0.00 N ATOM 112 CA LYS A 11 -3.559 -13.357 -0.151 1.00 0.00 C ATOM 113 C LYS A 11 -2.042 -13.548 -0.095 1.00 0.00 C ATOM 114 O LYS A 11 -1.528 -14.588 -0.503 1.00 0.00 O ATOM 115 CB LYS A 11 -4.285 -13.824 1.113 1.00 0.00 C ATOM 116 CG LYS A 11 -5.777 -13.496 1.040 1.00 0.00 C ATOM 117 CD LYS A 11 -6.481 -13.853 2.351 1.00 0.00 C ATOM 118 CE LYS A 11 -7.969 -13.503 2.287 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.748 -14.383 3.188 1.00 0.00 N ATOM 0 HA LYS A 11 -3.743 -12.285 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.151 -14.898 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.846 -13.344 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.910 -12.435 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.234 -14.045 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.362 -14.917 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.013 -13.317 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.116 -12.461 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.330 -13.609 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.756 -14.132 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.622 -15.374 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.414 -14.262 4.166 1.00 0.00 H new ATOM 133 N PHE A 12 -1.368 -12.527 0.414 1.00 0.00 N ATOM 134 CA PHE A 12 0.080 -12.569 0.528 1.00 0.00 C ATOM 135 C PHE A 12 0.529 -12.191 1.941 1.00 0.00 C ATOM 136 O PHE A 12 0.023 -11.232 2.522 1.00 0.00 O ATOM 137 CB PHE A 12 0.637 -11.545 -0.463 1.00 0.00 C ATOM 138 CG PHE A 12 0.013 -11.625 -1.857 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.115 -10.919 -2.138 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.586 -12.401 -2.815 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.695 -10.993 -3.433 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.006 -12.475 -4.109 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.122 -11.770 -4.391 1.00 0.00 C ATOM 0 H PHE A 12 -1.798 -11.666 0.752 1.00 0.00 H new ATOM 0 HA PHE A 12 0.441 -13.576 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.479 -10.544 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.714 -11.687 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.570 -10.302 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.482 -12.961 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.591 -10.432 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.461 -13.092 -4.870 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.563 -11.827 -5.375 1.00 0.00 H new ATOM 153 N LYS A 13 1.475 -12.964 2.454 1.00 0.00 N ATOM 154 CA LYS A 13 1.999 -12.722 3.787 1.00 0.00 C ATOM 155 C LYS A 13 2.795 -11.416 3.789 1.00 0.00 C ATOM 156 O LYS A 13 3.675 -11.221 2.952 1.00 0.00 O ATOM 157 CB LYS A 13 2.799 -13.931 4.276 1.00 0.00 C ATOM 158 CG LYS A 13 2.778 -14.021 5.803 1.00 0.00 C ATOM 159 CD LYS A 13 4.169 -13.760 6.387 1.00 0.00 C ATOM 160 CE LYS A 13 4.722 -15.014 7.066 1.00 0.00 C ATOM 161 NZ LYS A 13 5.412 -14.659 8.327 1.00 0.00 N ATOM 0 H LYS A 13 1.892 -13.759 1.970 1.00 0.00 H new ATOM 0 HA LYS A 13 1.184 -12.599 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.383 -14.844 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.829 -13.856 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.069 -13.296 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.431 -15.008 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.846 -13.442 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.117 -12.944 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.910 -15.711 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.415 -15.522 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.781 -15.522 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.199 -14.011 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.741 -14.194 8.971 1.00 0.00 H new ATOM 175 N LEU A 14 2.457 -10.556 4.738 1.00 0.00 N ATOM 176 CA LEU A 14 3.130 -9.273 4.860 1.00 0.00 C ATOM 177 C LEU A 14 4.512 -9.484 5.480 1.00 0.00 C ATOM 178 O LEU A 14 4.729 -10.453 6.208 1.00 0.00 O ATOM 179 CB LEU A 14 2.256 -8.280 5.628 1.00 0.00 C ATOM 180 CG LEU A 14 1.237 -7.499 4.795 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.193 -7.890 5.171 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.471 -5.992 4.917 1.00 0.00 C ATOM 0 H LEU A 14 1.726 -10.722 5.430 1.00 0.00 H new ATOM 0 HA LEU A 14 3.286 -8.830 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.719 -8.824 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.908 -7.566 6.131 1.00 0.00 H new ATOM 0 HG LEU A 14 1.377 -7.763 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.897 -7.321 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.338 -8.955 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.364 -7.673 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.734 -5.460 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.373 -5.692 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.473 -5.749 4.562 1.00 0.00 H new ATOM 194 N SER A 15 5.412 -8.562 5.171 1.00 0.00 N ATOM 195 CA SER A 15 6.767 -8.635 5.689 1.00 0.00 C ATOM 196 C SER A 15 6.818 -8.059 7.105 1.00 0.00 C ATOM 197 O SER A 15 5.882 -7.389 7.540 1.00 0.00 O ATOM 198 CB SER A 15 7.746 -7.892 4.778 1.00 0.00 C ATOM 199 OG SER A 15 7.878 -6.520 5.142 1.00 0.00 O ATOM 0 H SER A 15 5.229 -7.760 4.568 1.00 0.00 H new ATOM 0 HA SER A 15 7.065 -9.683 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.722 -8.375 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.405 -7.962 3.745 1.00 0.00 H new ATOM 0 HG SER A 15 8.513 -6.081 4.538 1.00 0.00 H new ATOM 205 N THR A 16 7.919 -8.340 7.786 1.00 0.00 N ATOM 206 CA THR A 16 8.103 -7.857 9.144 1.00 0.00 C ATOM 207 C THR A 16 8.012 -6.331 9.185 1.00 0.00 C ATOM 208 O THR A 16 7.378 -5.767 10.075 1.00 0.00 O ATOM 209 CB THR A 16 9.437 -8.400 9.661 1.00 0.00 C ATOM 210 OG1 THR A 16 9.189 -9.787 9.873 1.00 0.00 O ATOM 211 CG2 THR A 16 9.786 -7.867 11.053 1.00 0.00 C ATOM 0 H THR A 16 8.693 -8.896 7.423 1.00 0.00 H new ATOM 0 HA THR A 16 7.311 -8.216 9.802 1.00 0.00 H new ATOM 0 HB THR A 16 10.231 -8.137 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.003 -10.218 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.741 -8.283 11.373 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.857 -6.780 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.009 -8.158 11.760 1.00 0.00 H new ATOM 219 N ALA A 17 8.653 -5.705 8.209 1.00 0.00 N ATOM 220 CA ALA A 17 8.652 -4.255 8.122 1.00 0.00 C ATOM 221 C ALA A 17 7.302 -3.782 7.579 1.00 0.00 C ATOM 222 O ALA A 17 6.704 -2.851 8.117 1.00 0.00 O ATOM 223 CB ALA A 17 9.824 -3.794 7.252 1.00 0.00 C ATOM 0 H ALA A 17 9.177 -6.176 7.471 1.00 0.00 H new ATOM 0 HA ALA A 17 8.785 -3.812 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.823 -2.706 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.761 -4.130 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.724 -4.217 6.253 1.00 0.00 H new ATOM 229 N LEU A 18 6.861 -4.445 6.520 1.00 0.00 N ATOM 230 CA LEU A 18 5.592 -4.104 5.899 1.00 0.00 C ATOM 231 C LEU A 18 4.468 -4.262 6.925 1.00 0.00 C ATOM 232 O LEU A 18 3.480 -3.530 6.885 1.00 0.00 O ATOM 233 CB LEU A 18 5.382 -4.926 4.625 1.00 0.00 C ATOM 234 CG LEU A 18 4.600 -4.237 3.505 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.230 -2.891 3.144 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.467 -5.153 2.286 1.00 0.00 C ATOM 0 H LEU A 18 7.360 -5.216 6.076 1.00 0.00 H new ATOM 0 HA LEU A 18 5.590 -3.061 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.359 -5.213 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.862 -5.846 4.891 1.00 0.00 H new ATOM 0 HG LEU A 18 3.592 -4.034 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.655 -2.422 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.230 -2.242 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.255 -3.047 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.907 -4.639 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.459 -5.409 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.940 -6.064 2.571 1.00 0.00 H new ATOM 248 N MET A 19 4.657 -5.220 7.820 1.00 0.00 N ATOM 249 CA MET A 19 3.671 -5.483 8.854 1.00 0.00 C ATOM 250 C MET A 19 3.700 -4.393 9.928 1.00 0.00 C ATOM 251 O MET A 19 2.679 -4.103 10.551 1.00 0.00 O ATOM 252 CB MET A 19 3.955 -6.841 9.498 1.00 0.00 C ATOM 253 CG MET A 19 3.274 -7.969 8.719 1.00 0.00 C ATOM 254 SD MET A 19 2.977 -9.361 9.797 1.00 0.00 S ATOM 255 CE MET A 19 4.639 -9.994 9.951 1.00 0.00 C ATOM 0 H MET A 19 5.479 -5.824 7.851 1.00 0.00 H new ATOM 0 HA MET A 19 2.683 -5.489 8.394 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.031 -7.014 9.531 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.601 -6.840 10.529 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.332 -7.616 8.300 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.901 -8.274 7.881 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.636 -10.872 10.597 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.016 -10.269 8.966 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.282 -9.228 10.384 1.00 0.00 H new ATOM 265 N ASP A 20 4.880 -3.819 10.112 1.00 0.00 N ATOM 266 CA ASP A 20 5.055 -2.768 11.099 1.00 0.00 C ATOM 267 C ASP A 20 4.617 -1.431 10.498 1.00 0.00 C ATOM 268 O ASP A 20 4.504 -0.434 11.209 1.00 0.00 O ATOM 269 CB ASP A 20 6.522 -2.642 11.515 1.00 0.00 C ATOM 270 CG ASP A 20 6.806 -2.951 12.986 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.440 -4.067 13.413 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.383 -2.064 13.651 1.00 0.00 O ATOM 0 H ASP A 20 5.724 -4.062 9.594 1.00 0.00 H new ATOM 0 HA ASP A 20 4.453 -3.022 11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.118 -3.313 10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.859 -1.628 11.301 1.00 0.00 H new ATOM 277 N VAL A 21 4.383 -1.453 9.194 1.00 0.00 N ATOM 278 CA VAL A 21 3.960 -0.255 8.489 1.00 0.00 C ATOM 279 C VAL A 21 2.445 -0.095 8.628 1.00 0.00 C ATOM 280 O VAL A 21 1.963 0.965 9.025 1.00 0.00 O ATOM 281 CB VAL A 21 4.424 -0.314 7.032 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.605 0.637 6.157 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.920 -0.011 6.921 1.00 0.00 C ATOM 0 H VAL A 21 4.478 -2.282 8.607 1.00 0.00 H new ATOM 0 HA VAL A 21 4.422 0.630 8.928 1.00 0.00 H new ATOM 0 HB VAL A 21 4.260 -1.328 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.955 0.576 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.553 0.356 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.723 1.658 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.224 -0.059 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.119 0.987 7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.484 -0.745 7.497 1.00 0.00 H new ATOM 293 N LEU A 22 1.736 -1.163 8.293 1.00 0.00 N ATOM 294 CA LEU A 22 0.285 -1.154 8.376 1.00 0.00 C ATOM 295 C LEU A 22 -0.150 -1.780 9.702 1.00 0.00 C ATOM 296 O LEU A 22 -0.751 -1.111 10.541 1.00 0.00 O ATOM 297 CB LEU A 22 -0.325 -1.831 7.147 1.00 0.00 C ATOM 298 CG LEU A 22 0.401 -1.595 5.821 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.152 -2.748 4.847 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.016 -0.242 5.218 1.00 0.00 C ATOM 0 H LEU A 22 2.139 -2.040 7.964 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.091 -0.131 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.365 -2.905 7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.354 -1.488 7.041 1.00 0.00 H new ATOM 0 HG LEU A 22 1.473 -1.566 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.679 -2.555 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.516 -3.678 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.917 -2.833 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.546 -0.099 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.059 -0.217 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.286 0.555 5.911 1.00 0.00 H new ATOM 312 N GLY A 23 0.172 -3.057 9.851 1.00 0.00 N ATOM 313 CA GLY A 23 -0.179 -3.781 11.061 1.00 0.00 C ATOM 314 C GLY A 23 -1.079 -4.976 10.744 1.00 0.00 C ATOM 315 O GLY A 23 -1.972 -5.309 11.522 1.00 0.00 O ATOM 0 H GLY A 23 0.672 -3.609 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.728 -4.126 11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.688 -3.112 11.755 1.00 0.00 H new ATOM 319 N ILE A 24 -0.814 -5.589 9.600 1.00 0.00 N ATOM 320 CA ILE A 24 -1.589 -6.741 9.170 1.00 0.00 C ATOM 321 C ILE A 24 -0.704 -7.988 9.205 1.00 0.00 C ATOM 322 O ILE A 24 0.404 -7.953 9.739 1.00 0.00 O ATOM 323 CB ILE A 24 -2.227 -6.477 7.805 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.452 -5.406 7.034 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.707 -6.120 7.951 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.925 -5.325 5.582 1.00 0.00 C ATOM 0 H ILE A 24 -0.073 -5.310 8.957 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.418 -6.920 9.855 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.174 -7.396 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.584 -4.438 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.386 -5.633 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.136 -5.937 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.235 -6.945 8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.806 -5.223 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.358 -4.556 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.769 -6.287 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.985 -5.074 5.558 1.00 0.00 H new ATOM 338 N GLU A 25 -1.226 -9.061 8.630 1.00 0.00 N ATOM 339 CA GLU A 25 -0.496 -10.317 8.588 1.00 0.00 C ATOM 340 C GLU A 25 -0.775 -11.050 7.274 1.00 0.00 C ATOM 341 O GLU A 25 0.146 -11.559 6.636 1.00 0.00 O ATOM 342 CB GLU A 25 -0.849 -11.196 9.790 1.00 0.00 C ATOM 343 CG GLU A 25 0.290 -12.165 10.114 1.00 0.00 C ATOM 344 CD GLU A 25 0.497 -12.283 11.625 1.00 0.00 C ATOM 345 OE1 GLU A 25 1.172 -11.388 12.178 1.00 0.00 O ATOM 346 OE2 GLU A 25 -0.025 -13.266 12.194 1.00 0.00 O ATOM 0 H GLU A 25 -2.146 -9.087 8.189 1.00 0.00 H new ATOM 0 HA GLU A 25 0.570 -10.097 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.054 -10.568 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.760 -11.757 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.067 -13.147 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.211 -11.820 9.643 1.00 0.00 H new ATOM 353 N VAL A 26 -2.048 -11.080 6.908 1.00 0.00 N ATOM 354 CA VAL A 26 -2.459 -11.741 5.682 1.00 0.00 C ATOM 355 C VAL A 26 -3.503 -10.880 4.968 1.00 0.00 C ATOM 356 O VAL A 26 -4.655 -10.813 5.395 1.00 0.00 O ATOM 357 CB VAL A 26 -2.959 -13.153 5.991 1.00 0.00 C ATOM 358 CG1 VAL A 26 -3.098 -13.979 4.710 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.042 -13.852 6.997 1.00 0.00 C ATOM 0 H VAL A 26 -2.809 -10.657 7.440 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.611 -11.852 5.006 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.947 -13.066 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.455 -14.978 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.810 -13.495 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.128 -14.052 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.420 -14.854 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.035 -13.921 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.016 -13.280 7.925 1.00 0.00 H new ATOM 369 N GLU A 27 -3.063 -10.242 3.893 1.00 0.00 N ATOM 370 CA GLU A 27 -3.945 -9.388 3.117 1.00 0.00 C ATOM 371 C GLU A 27 -3.822 -9.713 1.627 1.00 0.00 C ATOM 372 O GLU A 27 -3.064 -10.602 1.242 1.00 0.00 O ATOM 373 CB GLU A 27 -3.650 -7.910 3.381 1.00 0.00 C ATOM 374 CG GLU A 27 -4.932 -7.147 3.719 1.00 0.00 C ATOM 375 CD GLU A 27 -5.689 -7.825 4.863 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.075 -7.968 5.943 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.863 -8.185 4.632 1.00 0.00 O ATOM 0 H GLU A 27 -2.107 -10.300 3.542 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.972 -9.581 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.940 -7.818 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.180 -7.467 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.687 -6.122 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.571 -7.093 2.837 1.00 0.00 H new ATOM 384 N THR A 28 -4.580 -8.976 0.828 1.00 0.00 N ATOM 385 CA THR A 28 -4.566 -9.175 -0.611 1.00 0.00 C ATOM 386 C THR A 28 -3.499 -8.292 -1.261 1.00 0.00 C ATOM 387 O THR A 28 -2.598 -7.801 -0.584 1.00 0.00 O ATOM 388 CB THR A 28 -5.978 -8.911 -1.139 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.269 -7.586 -0.703 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.034 -9.773 -0.443 1.00 0.00 C ATOM 0 H THR A 28 -5.208 -8.240 1.150 1.00 0.00 H new ATOM 0 HA THR A 28 -4.295 -10.199 -0.866 1.00 0.00 H new ATOM 0 HB THR A 28 -6.006 -9.099 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.938 -7.186 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.018 -9.546 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.807 -10.827 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.030 -9.560 0.626 1.00 0.00 H new ATOM 398 N ARG A 29 -3.637 -8.117 -2.567 1.00 0.00 N ATOM 399 CA ARG A 29 -2.696 -7.302 -3.316 1.00 0.00 C ATOM 400 C ARG A 29 -3.066 -5.822 -3.200 1.00 0.00 C ATOM 401 O ARG A 29 -2.201 -4.979 -2.966 1.00 0.00 O ATOM 402 CB ARG A 29 -2.676 -7.701 -4.793 1.00 0.00 C ATOM 403 CG ARG A 29 -1.272 -7.551 -5.383 1.00 0.00 C ATOM 404 CD ARG A 29 -1.322 -7.493 -6.911 1.00 0.00 C ATOM 405 NE ARG A 29 -1.261 -6.085 -7.365 1.00 0.00 N ATOM 406 CZ ARG A 29 -1.661 -5.668 -8.574 1.00 0.00 C ATOM 407 NH1 ARG A 29 -2.154 -6.548 -9.457 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.568 -4.372 -8.900 1.00 0.00 N ATOM 0 H ARG A 29 -4.386 -8.526 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.705 -7.467 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.010 -8.733 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.377 -7.080 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.806 -6.645 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.650 -8.389 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.489 -8.056 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.238 -7.961 -7.271 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.892 -5.389 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.225 -7.535 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.459 -6.231 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.193 -3.703 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.872 -4.054 -9.820 1.00 0.00 H new ATOM 422 N PRO A 30 -4.386 -5.544 -3.372 1.00 0.00 N ATOM 423 CA PRO A 30 -4.881 -4.181 -3.289 1.00 0.00 C ATOM 424 C PRO A 30 -4.935 -3.705 -1.835 1.00 0.00 C ATOM 425 O PRO A 30 -4.320 -2.700 -1.484 1.00 0.00 O ATOM 426 CB PRO A 30 -6.247 -4.217 -3.953 1.00 0.00 C ATOM 427 CG PRO A 30 -6.665 -5.678 -3.968 1.00 0.00 C ATOM 428 CD PRO A 30 -5.438 -6.517 -3.651 1.00 0.00 C ATOM 0 HA PRO A 30 -4.229 -3.465 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.966 -3.611 -3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.200 -3.814 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.450 -5.858 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.071 -5.949 -4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.613 -7.167 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.170 -7.160 -4.489 1.00 0.00 H new ATOM 436 N ARG A 31 -5.678 -4.450 -1.030 1.00 0.00 N ATOM 437 CA ARG A 31 -5.821 -4.118 0.377 1.00 0.00 C ATOM 438 C ARG A 31 -4.513 -3.540 0.921 1.00 0.00 C ATOM 439 O ARG A 31 -4.526 -2.577 1.686 1.00 0.00 O ATOM 440 CB ARG A 31 -6.206 -5.350 1.198 1.00 0.00 C ATOM 441 CG ARG A 31 -7.658 -5.754 0.931 1.00 0.00 C ATOM 442 CD ARG A 31 -8.115 -6.835 1.912 1.00 0.00 C ATOM 443 NE ARG A 31 -9.358 -7.472 1.421 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.124 -8.289 2.156 1.00 0.00 C ATOM 445 NH1 ARG A 31 -9.780 -8.575 3.419 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.234 -8.822 1.627 1.00 0.00 N ATOM 0 H ARG A 31 -6.188 -5.283 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.615 -3.376 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.543 -6.179 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.072 -5.141 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.304 -4.881 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.755 -6.120 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.333 -7.586 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.285 -6.397 2.895 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.649 -7.277 0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.934 -8.171 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.364 -9.197 3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.495 -8.606 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.818 -9.444 2.186 1.00 0.00 H new ATOM 460 N ILE A 32 -3.414 -4.153 0.506 1.00 0.00 N ATOM 461 CA ILE A 32 -2.100 -3.711 0.942 1.00 0.00 C ATOM 462 C ILE A 32 -1.768 -2.375 0.275 1.00 0.00 C ATOM 463 O ILE A 32 -1.604 -1.362 0.953 1.00 0.00 O ATOM 464 CB ILE A 32 -1.057 -4.801 0.688 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.486 -6.128 1.317 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.326 -4.360 1.170 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.553 -7.264 0.892 1.00 0.00 C ATOM 0 H ILE A 32 -3.407 -4.952 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.094 -3.540 2.018 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.987 -4.962 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.483 -6.037 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.508 -6.362 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.048 -5.153 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.627 -3.458 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.290 -4.154 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.881 -8.196 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.577 -7.368 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.464 -7.039 1.212 1.00 0.00 H new ATOM 479 N ILE A 33 -1.680 -2.416 -1.047 1.00 0.00 N ATOM 480 CA ILE A 33 -1.371 -1.221 -1.813 1.00 0.00 C ATOM 481 C ILE A 33 -2.187 -0.046 -1.270 1.00 0.00 C ATOM 482 O ILE A 33 -1.664 1.055 -1.108 1.00 0.00 O ATOM 483 CB ILE A 33 -1.577 -1.474 -3.308 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.568 -2.496 -3.835 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.533 -0.165 -4.097 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.035 -3.093 -5.164 1.00 0.00 C ATOM 0 H ILE A 33 -1.817 -3.258 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.319 -0.958 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.570 -1.900 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.403 -2.019 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.434 -3.292 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.682 -0.374 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.321 0.500 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.564 0.313 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.300 -3.816 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.994 -3.591 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.144 -2.298 -5.902 1.00 0.00 H new ATOM 498 N ALA A 34 -3.455 -0.322 -1.004 1.00 0.00 N ATOM 499 CA ALA A 34 -4.349 0.698 -0.482 1.00 0.00 C ATOM 500 C ALA A 34 -3.963 1.018 0.964 1.00 0.00 C ATOM 501 O ALA A 34 -3.843 2.184 1.335 1.00 0.00 O ATOM 502 CB ALA A 34 -5.797 0.221 -0.607 1.00 0.00 C ATOM 0 H ALA A 34 -3.885 -1.237 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.258 1.619 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.467 0.986 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.030 0.037 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.927 -0.700 -0.039 1.00 0.00 H new ATOM 508 N ALA A 35 -3.779 -0.040 1.741 1.00 0.00 N ATOM 509 CA ALA A 35 -3.409 0.113 3.137 1.00 0.00 C ATOM 510 C ALA A 35 -2.259 1.116 3.249 1.00 0.00 C ATOM 511 O ALA A 35 -2.133 1.812 4.255 1.00 0.00 O ATOM 512 CB ALA A 35 -3.050 -1.254 3.723 1.00 0.00 C ATOM 0 H ALA A 35 -3.879 -1.006 1.430 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.246 0.506 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.772 -1.139 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.910 -1.920 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.212 -1.678 3.170 1.00 0.00 H new ATOM 518 N ILE A 36 -1.448 1.157 2.202 1.00 0.00 N ATOM 519 CA ILE A 36 -0.313 2.063 2.169 1.00 0.00 C ATOM 520 C ILE A 36 -0.783 3.449 1.723 1.00 0.00 C ATOM 521 O ILE A 36 -0.268 4.463 2.191 1.00 0.00 O ATOM 522 CB ILE A 36 0.808 1.486 1.302 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.368 0.200 1.914 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.902 2.527 1.056 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.250 -0.546 0.911 1.00 0.00 C ATOM 0 H ILE A 36 -1.555 0.577 1.370 1.00 0.00 H new ATOM 0 HA ILE A 36 0.112 2.176 3.166 1.00 0.00 H new ATOM 0 HB ILE A 36 0.388 1.224 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.948 0.440 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.547 -0.443 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.686 2.091 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.475 3.390 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.325 2.842 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.635 -1.456 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.661 -0.806 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.083 0.091 0.615 1.00 0.00 H new ATOM 537 N TRP A 37 -1.757 3.447 0.825 1.00 0.00 N ATOM 538 CA TRP A 37 -2.302 4.692 0.311 1.00 0.00 C ATOM 539 C TRP A 37 -2.910 5.462 1.484 1.00 0.00 C ATOM 540 O TRP A 37 -2.616 6.641 1.677 1.00 0.00 O ATOM 541 CB TRP A 37 -3.305 4.427 -0.814 1.00 0.00 C ATOM 542 CG TRP A 37 -2.676 3.862 -2.089 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.457 3.326 -2.240 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.288 3.797 -3.394 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.240 2.922 -3.541 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.389 3.218 -4.266 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.560 4.214 -3.824 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.664 3.003 -5.621 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.820 3.992 -5.182 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.925 3.410 -6.072 1.00 0.00 C ATOM 0 H TRP A 37 -2.183 2.604 0.440 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.517 5.302 -0.136 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.062 3.730 -0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.818 5.358 -1.056 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.735 3.223 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.392 2.486 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.279 4.669 -3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.942 2.548 -6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.784 4.294 -5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.201 3.272 -7.107 1.00 0.00 H new ATOM 561 N HIS A 38 -3.747 4.765 2.239 1.00 0.00 N ATOM 562 CA HIS A 38 -4.398 5.368 3.389 1.00 0.00 C ATOM 563 C HIS A 38 -3.345 5.765 4.425 1.00 0.00 C ATOM 564 O HIS A 38 -3.220 6.940 4.770 1.00 0.00 O ATOM 565 CB HIS A 38 -5.469 4.436 3.959 1.00 0.00 C ATOM 566 CG HIS A 38 -6.155 4.970 5.193 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.506 5.269 5.230 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.663 5.254 6.433 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.803 5.713 6.443 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.659 5.704 7.187 1.00 0.00 N ATOM 0 H HIS A 38 -3.989 3.788 2.076 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.917 6.276 3.082 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.219 4.249 3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.011 3.476 4.197 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.637 5.133 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.779 6.027 6.783 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.582 5.995 8.162 1.00 0.00 H new ATOM 578 N TYR A 39 -2.615 4.764 4.894 1.00 0.00 N ATOM 579 CA TYR A 39 -1.577 4.994 5.884 1.00 0.00 C ATOM 580 C TYR A 39 -0.758 6.240 5.541 1.00 0.00 C ATOM 581 O TYR A 39 -0.622 7.144 6.364 1.00 0.00 O ATOM 582 CB TYR A 39 -0.664 3.767 5.831 1.00 0.00 C ATOM 583 CG TYR A 39 0.535 3.842 6.778 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.334 3.954 8.138 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.818 3.799 6.271 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.463 4.024 9.029 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.947 3.870 7.162 1.00 0.00 C ATOM 588 CZ TYR A 39 2.714 3.979 8.497 1.00 0.00 C ATOM 589 OH TYR A 39 3.780 4.046 9.339 1.00 0.00 O ATOM 0 H TYR A 39 -2.722 3.791 4.607 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.015 5.147 6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.250 2.880 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.301 3.641 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.670 3.989 8.535 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.975 3.712 5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.320 4.110 10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.956 3.837 6.778 1.00 0.00 H new ATOM 0 HH TYR A 39 4.610 4.001 8.820 1.00 0.00 H new ATOM 599 N VAL A 40 -0.233 6.247 4.324 1.00 0.00 N ATOM 600 CA VAL A 40 0.569 7.367 3.862 1.00 0.00 C ATOM 601 C VAL A 40 -0.141 8.676 4.214 1.00 0.00 C ATOM 602 O VAL A 40 0.378 9.479 4.988 1.00 0.00 O ATOM 603 CB VAL A 40 0.853 7.225 2.365 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.382 8.536 1.780 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.825 6.074 2.099 1.00 0.00 C ATOM 0 H VAL A 40 -0.348 5.495 3.644 1.00 0.00 H new ATOM 0 HA VAL A 40 1.537 7.377 4.363 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.088 6.992 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.576 8.407 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.641 9.323 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.307 8.813 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.010 5.994 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.765 6.265 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.393 5.142 2.463 1.00 0.00 H new ATOM 615 N LYS A 41 -1.316 8.852 3.627 1.00 0.00 N ATOM 616 CA LYS A 41 -2.101 10.050 3.869 1.00 0.00 C ATOM 617 C LYS A 41 -2.340 10.203 5.373 1.00 0.00 C ATOM 618 O LYS A 41 -2.163 11.288 5.925 1.00 0.00 O ATOM 619 CB LYS A 41 -3.388 10.023 3.042 1.00 0.00 C ATOM 620 CG LYS A 41 -3.091 10.239 1.557 1.00 0.00 C ATOM 621 CD LYS A 41 -4.306 9.889 0.697 1.00 0.00 C ATOM 622 CE LYS A 41 -3.904 9.686 -0.765 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.853 10.380 -1.665 1.00 0.00 N ATOM 0 H LYS A 41 -1.743 8.185 2.984 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.556 10.935 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.893 9.067 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.069 10.797 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.808 11.278 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.242 9.624 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.776 8.982 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.047 10.686 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.896 10.066 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.884 8.621 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.565 10.232 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.810 9.998 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.851 11.398 -1.453 1.00 0.00 H new ATOM 637 N ALA A 42 -2.737 9.102 5.992 1.00 0.00 N ATOM 638 CA ALA A 42 -3.001 9.100 7.421 1.00 0.00 C ATOM 639 C ALA A 42 -1.827 9.752 8.153 1.00 0.00 C ATOM 640 O ALA A 42 -2.027 10.562 9.057 1.00 0.00 O ATOM 641 CB ALA A 42 -3.258 7.667 7.891 1.00 0.00 C ATOM 0 H ALA A 42 -2.883 8.204 5.530 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.894 9.682 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.456 7.666 8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.120 7.260 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.382 7.053 7.683 1.00 0.00 H new ATOM 647 N ARG A 43 -0.627 9.375 7.735 1.00 0.00 N ATOM 648 CA ARG A 43 0.579 9.913 8.339 1.00 0.00 C ATOM 649 C ARG A 43 1.022 11.180 7.604 1.00 0.00 C ATOM 650 O ARG A 43 2.196 11.547 7.644 1.00 0.00 O ATOM 651 CB ARG A 43 1.716 8.889 8.307 1.00 0.00 C ATOM 652 CG ARG A 43 1.329 7.616 9.062 1.00 0.00 C ATOM 653 CD ARG A 43 2.067 7.527 10.400 1.00 0.00 C ATOM 654 NE ARG A 43 1.620 8.615 11.298 1.00 0.00 N ATOM 655 CZ ARG A 43 1.691 8.562 12.635 1.00 0.00 C ATOM 656 NH1 ARG A 43 2.192 7.474 13.237 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.261 9.596 13.371 1.00 0.00 N ATOM 0 H ARG A 43 -0.465 8.703 6.985 1.00 0.00 H new ATOM 0 HA ARG A 43 0.350 10.153 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.960 8.643 7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.612 9.321 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.253 7.604 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.564 6.742 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.878 6.560 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.142 7.598 10.237 1.00 0.00 H new ATOM 0 HE ARG A 43 1.234 9.458 10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.519 6.687 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.246 7.434 14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.879 10.424 12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.315 9.555 14.389 1.00 0.00 H new ATOM 671 N LYS A 44 0.059 11.813 6.951 1.00 0.00 N ATOM 672 CA LYS A 44 0.335 13.031 6.208 1.00 0.00 C ATOM 673 C LYS A 44 1.661 12.878 5.460 1.00 0.00 C ATOM 674 O LYS A 44 2.507 13.770 5.499 1.00 0.00 O ATOM 675 CB LYS A 44 0.290 14.247 7.136 1.00 0.00 C ATOM 676 CG LYS A 44 -1.138 14.521 7.611 1.00 0.00 C ATOM 677 CD LYS A 44 -1.234 15.882 8.303 1.00 0.00 C ATOM 678 CE LYS A 44 -1.482 15.718 9.804 1.00 0.00 C ATOM 679 NZ LYS A 44 -1.735 17.034 10.434 1.00 0.00 N ATOM 0 H LYS A 44 -0.913 11.506 6.921 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.437 13.202 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.937 14.076 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.678 15.122 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.820 14.492 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.453 13.736 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.313 16.442 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.042 16.464 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.335 15.060 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.619 15.244 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.901 16.905 11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.909 17.651 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.572 17.472 9.999 1.00 0.00 H new ATOM 693 N LEU A 45 1.801 11.740 4.795 1.00 0.00 N ATOM 694 CA LEU A 45 3.009 11.458 4.039 1.00 0.00 C ATOM 695 C LEU A 45 2.829 11.942 2.599 1.00 0.00 C ATOM 696 O LEU A 45 3.802 12.283 1.929 1.00 0.00 O ATOM 697 CB LEU A 45 3.376 9.977 4.149 1.00 0.00 C ATOM 698 CG LEU A 45 4.106 9.559 5.427 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.281 8.041 5.487 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.440 10.296 5.563 1.00 0.00 C ATOM 0 H LEU A 45 1.097 11.002 4.764 1.00 0.00 H new ATOM 0 HA LEU A 45 3.855 12.004 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.461 9.390 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.000 9.714 3.295 1.00 0.00 H new ATOM 0 HG LEU A 45 3.492 9.846 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.803 7.771 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.302 7.561 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.863 7.708 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.938 9.980 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.073 10.063 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.260 11.370 5.599 1.00 0.00 H new ATOM 712 N GLN A 46 1.577 11.957 2.166 1.00 0.00 N ATOM 713 CA GLN A 46 1.257 12.394 0.818 1.00 0.00 C ATOM 714 C GLN A 46 2.129 13.588 0.425 1.00 0.00 C ATOM 715 O GLN A 46 2.404 14.459 1.250 1.00 0.00 O ATOM 716 CB GLN A 46 -0.229 12.736 0.690 1.00 0.00 C ATOM 717 CG GLN A 46 -0.636 12.871 -0.778 1.00 0.00 C ATOM 718 CD GLN A 46 -2.026 13.498 -0.906 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.611 13.976 0.053 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.521 13.469 -2.140 1.00 0.00 N ATOM 0 H GLN A 46 0.772 11.674 2.725 1.00 0.00 H new ATOM 0 HA GLN A 46 1.468 11.573 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.827 11.959 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.438 13.667 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.094 13.484 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.631 11.890 -1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.979 13.054 -2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.443 13.862 -2.329 1.00 0.00 H new ATOM 729 N ASN A 47 2.541 13.592 -0.834 1.00 0.00 N ATOM 730 CA ASN A 47 3.376 14.664 -1.346 1.00 0.00 C ATOM 731 C ASN A 47 2.506 15.660 -2.115 1.00 0.00 C ATOM 732 O ASN A 47 1.689 15.264 -2.944 1.00 0.00 O ATOM 733 CB ASN A 47 4.439 14.125 -2.305 1.00 0.00 C ATOM 734 CG ASN A 47 5.739 14.924 -2.190 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.944 15.925 -2.856 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.602 14.428 -1.309 1.00 0.00 N ATOM 0 H ASN A 47 2.311 12.868 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 47 3.866 15.143 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.633 13.075 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.068 14.173 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.499 14.890 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.367 13.586 -0.784 1.00 0.00 H new ATOM 743 N PRO A 48 2.717 16.967 -1.805 1.00 0.00 N ATOM 744 CA PRO A 48 1.962 18.023 -2.457 1.00 0.00 C ATOM 745 C PRO A 48 2.456 18.247 -3.888 1.00 0.00 C ATOM 746 O PRO A 48 1.655 18.383 -4.811 1.00 0.00 O ATOM 747 CB PRO A 48 2.142 19.243 -1.569 1.00 0.00 C ATOM 748 CG PRO A 48 3.361 18.955 -0.708 1.00 0.00 C ATOM 749 CD PRO A 48 3.677 17.473 -0.828 1.00 0.00 C ATOM 0 HA PRO A 48 0.905 17.779 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.289 20.143 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.259 19.411 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.210 19.554 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.166 19.221 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.702 17.312 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.570 16.966 0.131 1.00 0.00 H new ATOM 757 N ASN A 49 3.773 18.279 -4.026 1.00 0.00 N ATOM 758 CA ASN A 49 4.384 18.484 -5.329 1.00 0.00 C ATOM 759 C ASN A 49 3.823 17.460 -6.317 1.00 0.00 C ATOM 760 O ASN A 49 3.446 17.812 -7.434 1.00 0.00 O ATOM 761 CB ASN A 49 5.901 18.295 -5.262 1.00 0.00 C ATOM 762 CG ASN A 49 6.534 19.280 -4.277 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.980 18.921 -3.200 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.547 20.539 -4.705 1.00 0.00 N ATOM 0 H ASN A 49 4.434 18.166 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 49 4.161 19.502 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.131 17.274 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.333 18.438 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.947 21.272 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.157 20.771 -5.618 1.00 0.00 H new ATOM 771 N ASP A 50 3.785 16.213 -5.871 1.00 0.00 N ATOM 772 CA ASP A 50 3.276 15.136 -6.703 1.00 0.00 C ATOM 773 C ASP A 50 2.222 14.348 -5.921 1.00 0.00 C ATOM 774 O ASP A 50 2.520 13.778 -4.873 1.00 0.00 O ATOM 775 CB ASP A 50 4.394 14.169 -7.096 1.00 0.00 C ATOM 776 CG ASP A 50 5.284 14.642 -8.247 1.00 0.00 C ATOM 777 OD1 ASP A 50 4.790 14.612 -9.395 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.438 15.022 -7.953 1.00 0.00 O ATOM 0 H ASP A 50 4.098 15.924 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 50 2.848 15.578 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.021 13.988 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.947 13.214 -7.371 1.00 0.00 H new ATOM 783 N PRO A 51 0.981 14.342 -6.476 1.00 0.00 N ATOM 784 CA PRO A 51 -0.118 13.634 -5.843 1.00 0.00 C ATOM 785 C PRO A 51 0.016 12.123 -6.042 1.00 0.00 C ATOM 786 O PRO A 51 -0.704 11.344 -5.417 1.00 0.00 O ATOM 787 CB PRO A 51 -1.374 14.207 -6.479 1.00 0.00 C ATOM 788 CG PRO A 51 -0.921 14.875 -7.767 1.00 0.00 C ATOM 789 CD PRO A 51 0.592 15.006 -7.717 1.00 0.00 C ATOM 0 HA PRO A 51 -0.138 13.769 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.102 13.422 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.855 14.925 -5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.225 14.284 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.386 15.855 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.059 14.534 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.899 16.052 -7.720 1.00 0.00 H new ATOM 797 N SER A 52 0.943 11.753 -6.913 1.00 0.00 N ATOM 798 CA SER A 52 1.181 10.349 -7.202 1.00 0.00 C ATOM 799 C SER A 52 2.249 9.794 -6.257 1.00 0.00 C ATOM 800 O SER A 52 2.253 8.603 -5.950 1.00 0.00 O ATOM 801 CB SER A 52 1.605 10.150 -8.658 1.00 0.00 C ATOM 802 OG SER A 52 0.599 9.490 -9.422 1.00 0.00 O ATOM 0 H SER A 52 1.538 12.401 -7.428 1.00 0.00 H new ATOM 0 HA SER A 52 0.249 9.805 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.824 11.119 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.526 9.568 -8.691 1.00 0.00 H new ATOM 0 HG SER A 52 0.907 9.383 -10.346 1.00 0.00 H new ATOM 808 N PHE A 53 3.130 10.684 -5.824 1.00 0.00 N ATOM 809 CA PHE A 53 4.200 10.298 -4.920 1.00 0.00 C ATOM 810 C PHE A 53 3.855 10.659 -3.474 1.00 0.00 C ATOM 811 O PHE A 53 2.980 11.489 -3.230 1.00 0.00 O ATOM 812 CB PHE A 53 5.446 11.079 -5.344 1.00 0.00 C ATOM 813 CG PHE A 53 6.385 10.299 -6.267 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.170 9.311 -5.760 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.435 10.594 -7.593 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.042 8.587 -6.615 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.307 9.870 -8.449 1.00 0.00 C ATOM 818 CZ PHE A 53 8.092 8.882 -7.942 1.00 0.00 C ATOM 0 H PHE A 53 3.125 11.671 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 53 4.357 9.221 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.135 11.994 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.996 11.378 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.130 9.077 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.812 11.379 -7.996 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.665 7.802 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.347 10.104 -9.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.755 8.332 -8.593 1.00 0.00 H new ATOM 828 N PHE A 54 4.559 10.017 -2.553 1.00 0.00 N ATOM 829 CA PHE A 54 4.337 10.260 -1.138 1.00 0.00 C ATOM 830 C PHE A 54 5.641 10.128 -0.348 1.00 0.00 C ATOM 831 O PHE A 54 6.477 9.281 -0.660 1.00 0.00 O ATOM 832 CB PHE A 54 3.350 9.198 -0.651 1.00 0.00 C ATOM 833 CG PHE A 54 3.769 7.763 -0.977 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.814 7.193 -0.318 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.098 7.057 -1.925 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.203 5.862 -0.620 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.487 5.725 -2.228 1.00 0.00 C ATOM 838 CZ PHE A 54 4.532 5.156 -1.569 1.00 0.00 C ATOM 0 H PHE A 54 5.283 9.329 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 54 3.954 11.270 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.231 9.295 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.375 9.391 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.348 7.754 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.268 7.509 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.032 5.410 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.953 5.164 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.829 4.143 -1.799 1.00 0.00 H new ATOM 848 N ASN A 55 5.774 10.979 0.659 1.00 0.00 N ATOM 849 CA ASN A 55 6.962 10.968 1.495 1.00 0.00 C ATOM 850 C ASN A 55 6.962 9.704 2.358 1.00 0.00 C ATOM 851 O ASN A 55 5.934 9.042 2.495 1.00 0.00 O ATOM 852 CB ASN A 55 6.988 12.178 2.431 1.00 0.00 C ATOM 853 CG ASN A 55 7.888 13.283 1.873 1.00 0.00 C ATOM 854 OD1 ASN A 55 9.105 13.197 1.892 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.223 14.323 1.377 1.00 0.00 N ATOM 0 H ASN A 55 5.079 11.680 0.915 1.00 0.00 H new ATOM 0 HA ASN A 55 7.834 10.998 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.976 12.561 2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.346 11.874 3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.733 15.113 0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.203 14.331 1.393 1.00 0.00 H new ATOM 862 N CYS A 56 8.126 9.406 2.916 1.00 0.00 N ATOM 863 CA CYS A 56 8.273 8.233 3.761 1.00 0.00 C ATOM 864 C CYS A 56 8.226 8.685 5.222 1.00 0.00 C ATOM 865 O CYS A 56 8.605 9.811 5.540 1.00 0.00 O ATOM 866 CB CYS A 56 9.556 7.464 3.442 1.00 0.00 C ATOM 867 SG CYS A 56 11.009 8.383 4.069 1.00 0.00 S ATOM 0 H CYS A 56 8.977 9.957 2.799 1.00 0.00 H new ATOM 0 HA CYS A 56 7.455 7.539 3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.518 6.474 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.644 7.318 2.365 1.00 0.00 H new ATOM 0 HG CYS A 56 10.609 9.422 4.740 1.00 0.00 H new ATOM 873 N ASP A 57 7.758 7.783 6.072 1.00 0.00 N ATOM 874 CA ASP A 57 7.656 8.075 7.492 1.00 0.00 C ATOM 875 C ASP A 57 8.909 7.559 8.205 1.00 0.00 C ATOM 876 O ASP A 57 9.542 8.293 8.962 1.00 0.00 O ATOM 877 CB ASP A 57 6.441 7.382 8.111 1.00 0.00 C ATOM 878 CG ASP A 57 5.431 8.319 8.776 1.00 0.00 C ATOM 879 OD1 ASP A 57 4.778 9.074 8.025 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.336 8.260 10.021 1.00 0.00 O ATOM 0 H ASP A 57 7.445 6.850 5.805 1.00 0.00 H new ATOM 0 HA ASP A 57 7.553 9.154 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.930 6.815 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.790 6.663 8.853 1.00 0.00 H new ATOM 885 N ALA A 58 9.228 6.302 7.936 1.00 0.00 N ATOM 886 CA ALA A 58 10.393 5.680 8.542 1.00 0.00 C ATOM 887 C ALA A 58 10.286 4.160 8.401 1.00 0.00 C ATOM 888 O ALA A 58 11.300 3.468 8.324 1.00 0.00 O ATOM 889 CB ALA A 58 10.507 6.124 10.002 1.00 0.00 C ATOM 0 H ALA A 58 8.700 5.697 7.307 1.00 0.00 H new ATOM 0 HA ALA A 58 11.304 5.994 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.381 5.658 10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.610 7.208 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.611 5.823 10.545 1.00 0.00 H new ATOM 895 N ALA A 59 9.049 3.687 8.372 1.00 0.00 N ATOM 896 CA ALA A 59 8.796 2.262 8.242 1.00 0.00 C ATOM 897 C ALA A 59 8.599 1.916 6.764 1.00 0.00 C ATOM 898 O ALA A 59 8.717 0.756 6.373 1.00 0.00 O ATOM 899 CB ALA A 59 7.588 1.877 9.097 1.00 0.00 C ATOM 0 H ALA A 59 8.211 4.265 8.436 1.00 0.00 H new ATOM 0 HA ALA A 59 9.648 1.687 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.399 0.808 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.790 2.115 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.713 2.433 8.761 1.00 0.00 H new ATOM 905 N LEU A 60 8.301 2.945 5.984 1.00 0.00 N ATOM 906 CA LEU A 60 8.086 2.764 4.558 1.00 0.00 C ATOM 907 C LEU A 60 9.436 2.577 3.863 1.00 0.00 C ATOM 908 O LEU A 60 9.510 1.966 2.798 1.00 0.00 O ATOM 909 CB LEU A 60 7.257 3.919 3.991 1.00 0.00 C ATOM 910 CG LEU A 60 5.738 3.774 4.108 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.041 5.117 3.880 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.216 2.689 3.164 1.00 0.00 C ATOM 0 H LEU A 60 8.203 3.906 6.312 1.00 0.00 H new ATOM 0 HA LEU A 60 7.503 1.862 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.555 4.837 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.511 4.040 2.938 1.00 0.00 H new ATOM 0 HG LEU A 60 5.502 3.457 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.962 4.987 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.382 5.835 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.281 5.487 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.134 2.607 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.463 2.952 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.678 1.734 3.416 1.00 0.00 H new ATOM 924 N GLN A 61 10.470 3.114 4.493 1.00 0.00 N ATOM 925 CA GLN A 61 11.813 3.014 3.948 1.00 0.00 C ATOM 926 C GLN A 61 12.286 1.559 3.966 1.00 0.00 C ATOM 927 O GLN A 61 12.504 0.960 2.914 1.00 0.00 O ATOM 928 CB GLN A 61 12.784 3.915 4.714 1.00 0.00 C ATOM 929 CG GLN A 61 13.113 5.174 3.909 1.00 0.00 C ATOM 930 CD GLN A 61 14.583 5.183 3.482 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.389 4.382 3.925 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.884 6.131 2.599 1.00 0.00 N ATOM 0 H GLN A 61 10.405 3.620 5.376 1.00 0.00 H new ATOM 0 HA GLN A 61 11.790 3.356 2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.347 4.195 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.701 3.367 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.474 5.224 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.899 6.059 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.160 6.769 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.839 6.220 2.251 1.00 0.00 H new ATOM 941 N LYS A 62 12.431 1.032 5.173 1.00 0.00 N ATOM 942 CA LYS A 62 12.874 -0.342 5.342 1.00 0.00 C ATOM 943 C LYS A 62 12.218 -1.219 4.274 1.00 0.00 C ATOM 944 O LYS A 62 12.799 -2.211 3.838 1.00 0.00 O ATOM 945 CB LYS A 62 12.614 -0.817 6.773 1.00 0.00 C ATOM 946 CG LYS A 62 13.833 -0.568 7.663 1.00 0.00 C ATOM 947 CD LYS A 62 13.956 -1.648 8.739 1.00 0.00 C ATOM 948 CE LYS A 62 14.542 -2.936 8.158 1.00 0.00 C ATOM 949 NZ LYS A 62 15.568 -3.495 9.066 1.00 0.00 N ATOM 0 H LYS A 62 12.250 1.532 6.044 1.00 0.00 H new ATOM 0 HA LYS A 62 13.952 -0.415 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.748 -0.296 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.373 -1.880 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.736 -0.553 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.750 0.412 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.590 -1.289 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.975 -1.852 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.748 -3.666 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.983 -2.734 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.955 -4.369 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.334 -2.803 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.137 -3.707 9.989 1.00 0.00 H new ATOM 963 N VAL A 63 11.015 -0.822 3.884 1.00 0.00 N ATOM 964 CA VAL A 63 10.274 -1.560 2.875 1.00 0.00 C ATOM 965 C VAL A 63 10.888 -1.292 1.499 1.00 0.00 C ATOM 966 O VAL A 63 11.460 -2.191 0.885 1.00 0.00 O ATOM 967 CB VAL A 63 8.789 -1.198 2.948 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.008 -1.858 1.810 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.199 -1.575 4.308 1.00 0.00 C ATOM 0 H VAL A 63 10.535 0.001 4.249 1.00 0.00 H new ATOM 0 HA VAL A 63 10.343 -2.632 3.058 1.00 0.00 H new ATOM 0 HB VAL A 63 8.701 -0.118 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.955 -1.585 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.404 -1.519 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.108 -2.941 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.143 -1.307 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.305 -2.648 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.728 -1.039 5.096 1.00 0.00 H new ATOM 979 N PHE A 64 10.749 -0.051 1.056 1.00 0.00 N ATOM 980 CA PHE A 64 11.283 0.346 -0.236 1.00 0.00 C ATOM 981 C PHE A 64 12.755 0.745 -0.121 1.00 0.00 C ATOM 982 O PHE A 64 13.626 0.088 -0.691 1.00 0.00 O ATOM 983 CB PHE A 64 10.473 1.558 -0.700 1.00 0.00 C ATOM 984 CG PHE A 64 8.961 1.325 -0.723 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.416 0.483 -1.641 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.162 1.961 0.176 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.013 0.266 -1.662 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.758 1.744 0.155 1.00 0.00 C ATOM 989 CZ PHE A 64 6.214 0.902 -0.763 1.00 0.00 C ATOM 0 H PHE A 64 10.275 0.692 1.568 1.00 0.00 H new ATOM 0 HA PHE A 64 11.213 -0.484 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.690 2.400 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.802 1.840 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.051 -0.021 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.595 2.630 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.580 -0.403 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.123 2.248 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.147 0.738 -0.779 1.00 0.00 H new ATOM 999 N GLY A 65 12.989 1.819 0.619 1.00 0.00 N ATOM 1000 CA GLY A 65 14.341 2.313 0.815 1.00 0.00 C ATOM 1001 C GLY A 65 14.505 3.712 0.220 1.00 0.00 C ATOM 1002 O GLY A 65 15.547 4.345 0.389 1.00 0.00 O ATOM 0 H GLY A 65 12.265 2.361 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.572 2.337 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.052 1.630 0.350 1.00 0.00 H new ATOM 1006 N GLU A 66 13.462 4.155 -0.466 1.00 0.00 N ATOM 1007 CA GLU A 66 13.477 5.469 -1.088 1.00 0.00 C ATOM 1008 C GLU A 66 12.723 6.477 -0.218 1.00 0.00 C ATOM 1009 O GLU A 66 11.735 6.128 0.427 1.00 0.00 O ATOM 1010 CB GLU A 66 12.889 5.414 -2.499 1.00 0.00 C ATOM 1011 CG GLU A 66 13.696 4.471 -3.393 1.00 0.00 C ATOM 1012 CD GLU A 66 14.019 5.131 -4.736 1.00 0.00 C ATOM 1013 OE1 GLU A 66 13.069 5.665 -5.348 1.00 0.00 O ATOM 1014 OE2 GLU A 66 15.208 5.086 -5.119 1.00 0.00 O ATOM 0 H GLU A 66 12.600 3.627 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 66 14.513 5.797 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.853 5.079 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.881 6.414 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.621 4.190 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.133 3.553 -3.561 1.00 0.00 H new ATOM 1021 N GLU A 67 13.218 7.706 -0.228 1.00 0.00 N ATOM 1022 CA GLU A 67 12.603 8.766 0.551 1.00 0.00 C ATOM 1023 C GLU A 67 11.105 8.847 0.250 1.00 0.00 C ATOM 1024 O GLU A 67 10.295 9.032 1.157 1.00 0.00 O ATOM 1025 CB GLU A 67 13.288 10.109 0.288 1.00 0.00 C ATOM 1026 CG GLU A 67 13.148 10.517 -1.180 1.00 0.00 C ATOM 1027 CD GLU A 67 13.838 11.856 -1.446 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.046 11.818 -1.766 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.143 12.887 -1.322 1.00 0.00 O ATOM 0 H GLU A 67 14.038 7.991 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 67 12.729 8.532 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.849 10.876 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.344 10.041 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.582 9.747 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.092 10.590 -1.442 1.00 0.00 H new ATOM 1036 N LYS A 68 10.782 8.703 -1.027 1.00 0.00 N ATOM 1037 CA LYS A 68 9.396 8.757 -1.459 1.00 0.00 C ATOM 1038 C LYS A 68 9.185 7.770 -2.608 1.00 0.00 C ATOM 1039 O LYS A 68 10.143 7.357 -3.260 1.00 0.00 O ATOM 1040 CB LYS A 68 8.997 10.194 -1.802 1.00 0.00 C ATOM 1041 CG LYS A 68 9.730 10.682 -3.054 1.00 0.00 C ATOM 1042 CD LYS A 68 8.778 11.433 -3.988 1.00 0.00 C ATOM 1043 CE LYS A 68 9.443 11.714 -5.337 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.213 10.535 -5.791 1.00 0.00 N ATOM 0 H LYS A 68 11.457 8.549 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 68 8.733 8.451 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.920 10.248 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.228 10.850 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.554 11.335 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.166 9.832 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.873 10.845 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.474 12.372 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.684 11.967 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.104 12.576 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.472 10.654 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.076 10.442 -5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.633 9.679 -5.683 1.00 0.00 H new ATOM 1058 N LEU A 69 7.926 7.419 -2.821 1.00 0.00 N ATOM 1059 CA LEU A 69 7.577 6.487 -3.881 1.00 0.00 C ATOM 1060 C LEU A 69 6.223 6.879 -4.474 1.00 0.00 C ATOM 1061 O LEU A 69 5.527 7.735 -3.929 1.00 0.00 O ATOM 1062 CB LEU A 69 7.630 5.047 -3.366 1.00 0.00 C ATOM 1063 CG LEU A 69 8.361 4.042 -4.259 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.336 3.192 -3.443 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.368 3.182 -5.044 1.00 0.00 C ATOM 0 H LEU A 69 7.134 7.763 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 69 8.306 6.539 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.110 5.050 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.608 4.697 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 69 8.951 4.598 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.842 2.486 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.074 3.839 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.788 2.644 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.914 2.476 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.732 2.634 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.750 3.823 -5.673 1.00 0.00 H new ATOM 1077 N LYS A 70 5.889 6.235 -5.583 1.00 0.00 N ATOM 1078 CA LYS A 70 4.630 6.506 -6.256 1.00 0.00 C ATOM 1079 C LYS A 70 3.521 5.675 -5.608 1.00 0.00 C ATOM 1080 O LYS A 70 3.796 4.676 -4.944 1.00 0.00 O ATOM 1081 CB LYS A 70 4.768 6.279 -7.762 1.00 0.00 C ATOM 1082 CG LYS A 70 5.972 7.039 -8.323 1.00 0.00 C ATOM 1083 CD LYS A 70 6.259 6.622 -9.767 1.00 0.00 C ATOM 1084 CE LYS A 70 6.229 7.832 -10.704 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.854 7.416 -12.074 1.00 0.00 N ATOM 0 H LYS A 70 6.469 5.526 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 70 4.353 7.554 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.880 5.214 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.859 6.606 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.781 8.111 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.848 6.847 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.234 6.139 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.521 5.888 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.517 8.569 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.207 8.313 -10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.838 8.248 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.549 6.729 -12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.911 6.978 -12.058 1.00 0.00 H new ATOM 1099 N PHE A 71 2.291 6.117 -5.823 1.00 0.00 N ATOM 1100 CA PHE A 71 1.140 5.427 -5.268 1.00 0.00 C ATOM 1101 C PHE A 71 0.787 4.193 -6.101 1.00 0.00 C ATOM 1102 O PHE A 71 0.016 3.341 -5.660 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.033 6.408 -5.310 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.141 7.302 -4.072 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.297 6.744 -2.842 1.00 0.00 C ATOM 1106 CD2 PHE A 71 -0.081 8.654 -4.203 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.397 7.574 -1.694 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.181 9.484 -3.055 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.337 8.926 -1.825 1.00 0.00 C ATOM 0 H PHE A 71 2.067 6.945 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 71 1.358 5.097 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.065 7.039 -6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.960 5.846 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.345 5.670 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.043 9.097 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.521 7.131 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.133 10.558 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.413 9.557 -0.952 1.00 0.00 H new ATOM 1119 N THR A 72 1.367 4.135 -7.291 1.00 0.00 N ATOM 1120 CA THR A 72 1.123 3.020 -8.189 1.00 0.00 C ATOM 1121 C THR A 72 2.295 2.038 -8.150 1.00 0.00 C ATOM 1122 O THR A 72 2.094 0.824 -8.169 1.00 0.00 O ATOM 1123 CB THR A 72 0.852 3.587 -9.584 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.143 3.943 -10.071 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.092 4.914 -9.539 1.00 0.00 C ATOM 0 H THR A 72 2.006 4.843 -7.654 1.00 0.00 H new ATOM 0 HA THR A 72 0.249 2.447 -7.880 1.00 0.00 H new ATOM 0 HB THR A 72 0.283 2.862 -10.166 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.061 4.318 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.074 5.273 -10.555 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.868 4.767 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.676 5.649 -8.986 1.00 0.00 H new ATOM 1133 N MET A 73 3.495 2.599 -8.096 1.00 0.00 N ATOM 1134 CA MET A 73 4.699 1.787 -8.054 1.00 0.00 C ATOM 1135 C MET A 73 4.651 0.794 -6.891 1.00 0.00 C ATOM 1136 O MET A 73 5.184 -0.310 -6.991 1.00 0.00 O ATOM 1137 CB MET A 73 5.921 2.695 -7.899 1.00 0.00 C ATOM 1138 CG MET A 73 6.127 3.555 -9.148 1.00 0.00 C ATOM 1139 SD MET A 73 6.941 2.600 -10.418 1.00 0.00 S ATOM 1140 CE MET A 73 8.412 3.584 -10.650 1.00 0.00 C ATOM 0 H MET A 73 3.659 3.606 -8.080 1.00 0.00 H new ATOM 0 HA MET A 73 4.768 1.224 -8.985 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.793 3.337 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.809 2.089 -7.720 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.166 3.917 -9.513 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.725 4.432 -8.901 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.145 3.013 -11.220 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.159 4.494 -11.193 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.831 3.846 -9.679 1.00 0.00 H new ATOM 1150 N VAL A 74 4.007 1.222 -5.815 1.00 0.00 N ATOM 1151 CA VAL A 74 3.882 0.384 -4.635 1.00 0.00 C ATOM 1152 C VAL A 74 3.546 -1.046 -5.064 1.00 0.00 C ATOM 1153 O VAL A 74 4.025 -2.007 -4.463 1.00 0.00 O ATOM 1154 CB VAL A 74 2.848 0.979 -3.677 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.540 0.012 -2.532 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.314 2.334 -3.141 1.00 0.00 C ATOM 0 H VAL A 74 3.566 2.138 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 74 4.826 0.348 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 74 1.926 1.139 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.802 0.460 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.144 -0.919 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.454 -0.195 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.561 2.735 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.255 2.209 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.458 3.024 -3.972 1.00 0.00 H new ATOM 1166 N SER A 75 2.724 -1.142 -6.099 1.00 0.00 N ATOM 1167 CA SER A 75 2.318 -2.439 -6.614 1.00 0.00 C ATOM 1168 C SER A 75 3.545 -3.222 -7.085 1.00 0.00 C ATOM 1169 O SER A 75 3.693 -4.401 -6.767 1.00 0.00 O ATOM 1170 CB SER A 75 1.314 -2.286 -7.759 1.00 0.00 C ATOM 1171 OG SER A 75 0.587 -3.489 -7.995 1.00 0.00 O ATOM 0 H SER A 75 2.328 -0.343 -6.595 1.00 0.00 H new ATOM 0 HA SER A 75 1.830 -2.990 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.617 -1.481 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.842 -1.997 -8.668 1.00 0.00 H new ATOM 0 HG SER A 75 0.974 -3.960 -8.762 1.00 0.00 H new ATOM 1177 N GLN A 76 4.394 -2.535 -7.836 1.00 0.00 N ATOM 1178 CA GLN A 76 5.603 -3.152 -8.353 1.00 0.00 C ATOM 1179 C GLN A 76 6.761 -2.957 -7.371 1.00 0.00 C ATOM 1180 O GLN A 76 7.923 -2.941 -7.772 1.00 0.00 O ATOM 1181 CB GLN A 76 5.956 -2.593 -9.734 1.00 0.00 C ATOM 1182 CG GLN A 76 6.182 -1.081 -9.672 1.00 0.00 C ATOM 1183 CD GLN A 76 7.009 -0.602 -10.867 1.00 0.00 C ATOM 1184 OE1 GLN A 76 6.532 -0.505 -11.986 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.271 -0.307 -10.568 1.00 0.00 N ATOM 0 H GLN A 76 4.268 -1.557 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 76 5.423 -4.221 -8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.854 -3.083 -10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.153 -2.816 -10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.221 -0.566 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.693 -0.824 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.606 -0.411 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.904 0.023 -11.297 1.00 0.00 H new ATOM 1194 N LYS A 77 6.402 -2.815 -6.104 1.00 0.00 N ATOM 1195 CA LYS A 77 7.395 -2.623 -5.062 1.00 0.00 C ATOM 1196 C LYS A 77 7.060 -3.522 -3.870 1.00 0.00 C ATOM 1197 O LYS A 77 7.918 -4.252 -3.377 1.00 0.00 O ATOM 1198 CB LYS A 77 7.512 -1.141 -4.700 1.00 0.00 C ATOM 1199 CG LYS A 77 7.993 -0.320 -5.899 1.00 0.00 C ATOM 1200 CD LYS A 77 9.466 0.062 -5.746 1.00 0.00 C ATOM 1201 CE LYS A 77 9.801 1.300 -6.581 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.252 1.585 -6.526 1.00 0.00 N ATOM 0 H LYS A 77 5.436 -2.829 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 77 8.382 -2.920 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.545 -0.768 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.207 -1.020 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.856 -0.894 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.388 0.582 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.688 0.256 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.096 -0.772 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.494 1.142 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.241 2.159 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.462 2.428 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.535 1.756 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.780 0.772 -6.902 1.00 0.00 H new ATOM 1216 N ILE A 78 5.808 -3.440 -3.442 1.00 0.00 N ATOM 1217 CA ILE A 78 5.349 -4.237 -2.318 1.00 0.00 C ATOM 1218 C ILE A 78 5.354 -5.716 -2.711 1.00 0.00 C ATOM 1219 O ILE A 78 5.634 -6.581 -1.882 1.00 0.00 O ATOM 1220 CB ILE A 78 3.989 -3.736 -1.826 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.901 -3.991 -2.871 1.00 0.00 C ATOM 1222 CG2 ILE A 78 4.061 -2.263 -1.421 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.961 -5.112 -2.422 1.00 0.00 C ATOM 0 H ILE A 78 5.098 -2.834 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 78 6.028 -4.129 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 78 3.718 -4.302 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.330 -3.077 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.361 -4.257 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.082 -1.932 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.789 -2.141 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.364 -1.664 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.197 -5.273 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.531 -6.030 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.484 -4.833 -1.483 1.00 0.00 H new ATOM 1235 N SER A 79 5.041 -5.960 -3.975 1.00 0.00 N ATOM 1236 CA SER A 79 5.007 -7.320 -4.487 1.00 0.00 C ATOM 1237 C SER A 79 6.193 -8.116 -3.940 1.00 0.00 C ATOM 1238 O SER A 79 6.008 -9.145 -3.292 1.00 0.00 O ATOM 1239 CB SER A 79 5.020 -7.332 -6.017 1.00 0.00 C ATOM 1240 OG SER A 79 6.284 -6.934 -6.543 1.00 0.00 O ATOM 0 H SER A 79 4.809 -5.240 -4.659 1.00 0.00 H new ATOM 0 HA SER A 79 4.080 -7.788 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.778 -8.333 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.245 -6.664 -6.392 1.00 0.00 H new ATOM 0 HG SER A 79 6.252 -6.956 -7.522 1.00 0.00 H new ATOM 1246 N HIS A 80 7.384 -7.609 -4.219 1.00 0.00 N ATOM 1247 CA HIS A 80 8.600 -8.260 -3.763 1.00 0.00 C ATOM 1248 C HIS A 80 8.435 -8.690 -2.304 1.00 0.00 C ATOM 1249 O HIS A 80 8.827 -9.795 -1.930 1.00 0.00 O ATOM 1250 CB HIS A 80 9.815 -7.356 -3.981 1.00 0.00 C ATOM 1251 CG HIS A 80 11.120 -8.104 -4.122 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.701 -8.802 -3.078 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.948 -8.257 -5.195 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.828 -9.345 -3.513 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.980 -9.006 -4.825 1.00 0.00 N ATOM 0 H HIS A 80 7.533 -6.754 -4.755 1.00 0.00 H new ATOM 0 HA HIS A 80 8.779 -9.159 -4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.653 -6.757 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.894 -6.663 -3.144 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.791 -7.840 -6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.507 -9.950 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.758 -9.282 -5.424 1.00 0.00 H new ATOM 1263 N HIS A 81 7.855 -7.795 -1.518 1.00 0.00 N ATOM 1264 CA HIS A 81 7.633 -8.068 -0.109 1.00 0.00 C ATOM 1265 C HIS A 81 6.535 -9.122 0.044 1.00 0.00 C ATOM 1266 O HIS A 81 6.603 -9.972 0.930 1.00 0.00 O ATOM 1267 CB HIS A 81 7.325 -6.777 0.653 1.00 0.00 C ATOM 1268 CG HIS A 81 8.483 -5.810 0.714 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.613 -6.040 1.480 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.675 -4.609 0.097 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.439 -5.016 1.324 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.856 -4.130 0.467 1.00 0.00 N ATOM 0 H HIS A 81 7.532 -6.879 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 81 8.543 -8.475 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.476 -6.282 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.022 -7.030 1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.983 -4.129 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.405 -4.903 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.261 -3.245 0.161 1.00 0.00 H new ATOM 1280 N LEU A 82 5.547 -9.033 -0.835 1.00 0.00 N ATOM 1281 CA LEU A 82 4.436 -9.968 -0.810 1.00 0.00 C ATOM 1282 C LEU A 82 4.973 -11.395 -0.936 1.00 0.00 C ATOM 1283 O LEU A 82 5.854 -11.661 -1.753 1.00 0.00 O ATOM 1284 CB LEU A 82 3.403 -9.603 -1.878 1.00 0.00 C ATOM 1285 CG LEU A 82 2.864 -8.172 -1.828 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.697 -7.991 -2.801 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.484 -7.779 -0.399 1.00 0.00 C ATOM 0 H LEU A 82 5.493 -8.327 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 82 3.910 -9.908 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.850 -9.768 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.562 -10.290 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 82 3.658 -7.497 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.333 -6.965 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.033 -8.202 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.892 -8.677 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.104 -6.757 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.714 -8.455 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.363 -7.844 0.242 1.00 0.00 H new ATOM 1299 N SER A 83 4.419 -12.276 -0.116 1.00 0.00 N ATOM 1300 CA SER A 83 4.832 -13.670 -0.126 1.00 0.00 C ATOM 1301 C SER A 83 3.615 -14.577 0.068 1.00 0.00 C ATOM 1302 O SER A 83 2.568 -14.126 0.529 1.00 0.00 O ATOM 1303 CB SER A 83 5.876 -13.943 0.958 1.00 0.00 C ATOM 1304 OG SER A 83 7.202 -13.712 0.492 1.00 0.00 O ATOM 0 H SER A 83 3.688 -12.052 0.559 1.00 0.00 H new ATOM 0 HA SER A 83 5.287 -13.885 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.679 -13.306 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.785 -14.975 1.297 1.00 0.00 H new ATOM 0 HG SER A 83 7.839 -13.896 1.214 1.00 0.00 H new ATOM 1310 N PRO A 84 3.799 -15.872 -0.303 1.00 0.00 N ATOM 1311 CA PRO A 84 2.729 -16.847 -0.175 1.00 0.00 C ATOM 1312 C PRO A 84 2.534 -17.257 1.286 1.00 0.00 C ATOM 1313 O PRO A 84 3.481 -17.677 1.949 1.00 0.00 O ATOM 1314 CB PRO A 84 3.143 -18.005 -1.067 1.00 0.00 C ATOM 1315 CG PRO A 84 4.636 -17.842 -1.296 1.00 0.00 C ATOM 1316 CD PRO A 84 5.025 -16.441 -0.854 1.00 0.00 C ATOM 0 HA PRO A 84 1.761 -16.452 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.923 -18.961 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.599 -17.985 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.193 -18.589 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.879 -17.992 -2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.819 -16.467 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.394 -15.850 -1.692 1.00 0.00 H new ATOM 1324 N PRO A 85 1.266 -17.118 1.758 1.00 0.00 N ATOM 1325 CA PRO A 85 0.934 -17.469 3.128 1.00 0.00 C ATOM 1326 C PRO A 85 0.870 -18.988 3.305 1.00 0.00 C ATOM 1327 O PRO A 85 0.962 -19.734 2.331 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.395 -16.783 3.400 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.984 -16.460 2.036 1.00 0.00 C ATOM 1330 CD PRO A 85 0.118 -16.624 1.002 1.00 0.00 C ATOM 0 HA PRO A 85 1.690 -17.140 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.060 -17.432 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.253 -15.877 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.818 -17.125 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.374 -15.442 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.173 -17.326 0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.345 -15.677 0.511 1.00 0.00 H new