USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -46:sc= 0.0753 USER MOD Single : A 35 SER OG : rot 180:sc= -0.254 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00677 USER MOD Single : A 58 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.0023) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N PHE A 7 -4.490 -5.579 0.439 1.00 0.00 N ATOM 93 CA PHE A 7 -4.687 -4.190 0.863 1.00 0.00 C ATOM 94 C PHE A 7 -5.809 -3.493 0.076 1.00 0.00 C ATOM 95 O PHE A 7 -5.716 -3.317 -1.142 1.00 0.00 O ATOM 96 CB PHE A 7 -3.354 -3.428 0.778 1.00 0.00 C ATOM 97 CG PHE A 7 -2.433 -3.717 1.951 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.887 -3.459 3.258 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.133 -4.228 1.763 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.065 -3.731 4.360 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.318 -4.506 2.880 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.787 -4.266 4.179 1.00 0.00 C ATOM 0 HA PHE A 7 -5.016 -4.191 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.847 -3.694 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.555 -2.358 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.874 -3.049 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.761 -4.406 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.423 -3.525 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.674 -4.907 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.166 -4.493 5.033 1.00 0.00 H new ATOM 112 N ARG A 8 -6.882 -3.101 0.779 1.00 0.00 N ATOM 113 CA ARG A 8 -8.024 -2.342 0.233 1.00 0.00 C ATOM 114 C ARG A 8 -7.815 -0.820 0.274 1.00 0.00 C ATOM 115 O ARG A 8 -7.050 -0.333 1.108 1.00 0.00 O ATOM 116 CB ARG A 8 -9.301 -2.699 1.015 1.00 0.00 C ATOM 117 CG ARG A 8 -10.102 -3.800 0.316 1.00 0.00 C ATOM 118 CD ARG A 8 -11.483 -3.951 0.975 1.00 0.00 C ATOM 119 NE ARG A 8 -11.769 -5.350 1.339 1.00 0.00 N ATOM 120 CZ ARG A 8 -11.260 -6.028 2.353 1.00 0.00 C ATOM 121 NH1 ARG A 8 -10.419 -5.496 3.196 1.00 0.00 N ATOM 122 NH2 ARG A 8 -11.588 -7.274 2.535 1.00 0.00 N ATOM 0 H ARG A 8 -6.985 -3.308 1.772 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.117 -2.625 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.033 -3.026 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.922 -1.810 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.219 -3.559 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.560 -4.744 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.529 -3.327 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.252 -3.589 0.293 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.431 -5.849 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.132 -4.523 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.048 -6.052 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.239 -7.729 1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.194 -7.796 3.318 1.00 0.00 H new ATOM 136 N PRO A 9 -8.533 -0.050 -0.567 1.00 0.00 N ATOM 137 CA PRO A 9 -8.446 1.407 -0.594 1.00 0.00 C ATOM 138 C PRO A 9 -9.035 2.036 0.679 1.00 0.00 C ATOM 139 O PRO A 9 -10.115 1.660 1.139 1.00 0.00 O ATOM 140 CB PRO A 9 -9.207 1.832 -1.851 1.00 0.00 C ATOM 141 CG PRO A 9 -10.250 0.731 -2.023 1.00 0.00 C ATOM 142 CD PRO A 9 -9.503 -0.514 -1.551 1.00 0.00 C ATOM 0 HA PRO A 9 -7.411 1.749 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.672 2.810 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.548 1.899 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.141 0.920 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.576 0.640 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.189 -1.238 -1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.006 -1.011 -2.384 1.00 0.00 H new ATOM 150 N GLY A 10 -8.306 2.983 1.269 1.00 0.00 N ATOM 151 CA GLY A 10 -8.687 3.708 2.484 1.00 0.00 C ATOM 152 C GLY A 10 -8.325 2.982 3.786 1.00 0.00 C ATOM 153 O GLY A 10 -8.398 3.589 4.856 1.00 0.00 O ATOM 0 H GLY A 10 -7.401 3.278 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.203 4.685 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.762 3.885 2.466 1.00 0.00 H new ATOM 157 N ASP A 11 -7.924 1.705 3.719 1.00 0.00 N ATOM 158 CA ASP A 11 -7.462 0.931 4.876 1.00 0.00 C ATOM 159 C ASP A 11 -6.259 1.625 5.528 1.00 0.00 C ATOM 160 O ASP A 11 -5.287 1.988 4.856 1.00 0.00 O ATOM 161 CB ASP A 11 -7.089 -0.511 4.483 1.00 0.00 C ATOM 162 CG ASP A 11 -8.293 -1.461 4.331 1.00 0.00 C ATOM 163 OD1 ASP A 11 -9.429 -1.008 4.054 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.101 -2.689 4.502 1.00 0.00 O ATOM 0 H ASP A 11 -7.912 1.175 2.848 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.283 0.880 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.539 -0.488 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.414 -0.917 5.237 1.00 0.00 H new ATOM 169 N LYS A 12 -6.337 1.815 6.848 1.00 0.00 N ATOM 170 CA LYS A 12 -5.267 2.397 7.658 1.00 0.00 C ATOM 171 C LYS A 12 -4.084 1.431 7.749 1.00 0.00 C ATOM 172 O LYS A 12 -4.185 0.364 8.360 1.00 0.00 O ATOM 173 CB LYS A 12 -5.808 2.799 9.046 1.00 0.00 C ATOM 174 CG LYS A 12 -5.664 4.313 9.252 1.00 0.00 C ATOM 175 CD LYS A 12 -5.802 4.723 10.726 1.00 0.00 C ATOM 176 CE LYS A 12 -4.989 6.002 10.962 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.305 6.630 12.271 1.00 0.00 N ATOM 0 H LYS A 12 -7.162 1.563 7.392 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.902 3.306 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.855 2.511 9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.264 2.265 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.693 4.636 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.421 4.830 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.850 4.891 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.445 3.924 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.925 5.768 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.191 6.713 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.734 7.491 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.315 6.877 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.088 5.962 13.038 1.00 0.00 H new ATOM 191 N VAL A 13 -2.962 1.792 7.133 1.00 0.00 N ATOM 192 CA VAL A 13 -1.738 0.980 7.090 1.00 0.00 C ATOM 193 C VAL A 13 -0.523 1.786 7.566 1.00 0.00 C ATOM 194 O VAL A 13 -0.507 3.014 7.480 1.00 0.00 O ATOM 195 CB VAL A 13 -1.535 0.365 5.697 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.697 -0.554 5.304 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.330 1.372 4.558 1.00 0.00 C ATOM 0 H VAL A 13 -2.871 2.678 6.636 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.850 0.149 7.786 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.607 -0.196 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.514 -0.968 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.779 -1.366 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.625 0.017 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.196 0.836 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.203 2.021 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.445 1.975 4.761 1.00 0.00 H new ATOM 207 N VAL A 14 0.504 1.115 8.090 1.00 0.00 N ATOM 208 CA VAL A 14 1.778 1.738 8.491 1.00 0.00 C ATOM 209 C VAL A 14 2.805 1.590 7.373 1.00 0.00 C ATOM 210 O VAL A 14 3.052 0.493 6.867 1.00 0.00 O ATOM 211 CB VAL A 14 2.314 1.200 9.835 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.291 -0.325 9.924 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.743 1.677 10.144 1.00 0.00 C ATOM 0 H VAL A 14 0.479 0.108 8.252 1.00 0.00 H new ATOM 0 HA VAL A 14 1.587 2.799 8.655 1.00 0.00 H new ATOM 0 HB VAL A 14 1.628 1.611 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.680 -0.639 10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.267 -0.681 9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.910 -0.745 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.065 1.266 11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.418 1.337 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.761 2.766 10.192 1.00 0.00 H new ATOM 223 N LEU A 15 3.416 2.711 6.992 1.00 0.00 N ATOM 224 CA LEU A 15 4.497 2.747 6.015 1.00 0.00 C ATOM 225 C LEU A 15 5.543 3.806 6.407 1.00 0.00 C ATOM 226 O LEU A 15 5.286 5.001 6.246 1.00 0.00 O ATOM 227 CB LEU A 15 3.884 2.966 4.627 1.00 0.00 C ATOM 228 CG LEU A 15 4.899 2.942 3.473 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.888 1.775 3.533 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.141 2.804 2.160 1.00 0.00 C ATOM 0 H LEU A 15 3.169 3.630 7.359 1.00 0.00 H new ATOM 0 HA LEU A 15 5.039 1.801 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.133 2.197 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.366 3.925 4.619 1.00 0.00 H new ATOM 0 HG LEU A 15 5.466 3.869 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.569 1.831 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.459 1.829 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.341 0.833 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.849 2.786 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.567 1.878 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.464 3.650 2.040 1.00 0.00 H new ATOM 242 N PRO A 16 6.690 3.416 6.991 1.00 0.00 N ATOM 243 CA PRO A 16 7.752 4.356 7.353 1.00 0.00 C ATOM 244 C PRO A 16 8.479 4.945 6.118 1.00 0.00 C ATOM 245 O PRO A 16 8.399 4.375 5.024 1.00 0.00 O ATOM 246 CB PRO A 16 8.686 3.561 8.272 1.00 0.00 C ATOM 247 CG PRO A 16 8.491 2.111 7.836 1.00 0.00 C ATOM 248 CD PRO A 16 7.027 2.064 7.415 1.00 0.00 C ATOM 0 HA PRO A 16 7.353 5.238 7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.723 3.876 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.426 3.700 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.155 1.846 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.698 1.415 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.876 1.351 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.393 1.744 8.242 1.00 0.00 H new ATOM 256 N PRO A 17 9.206 6.075 6.272 1.00 0.00 N ATOM 257 CA PRO A 17 9.394 6.838 7.515 1.00 0.00 C ATOM 258 C PRO A 17 8.169 7.673 7.940 1.00 0.00 C ATOM 259 O PRO A 17 8.140 8.179 9.063 1.00 0.00 O ATOM 260 CB PRO A 17 10.608 7.733 7.243 1.00 0.00 C ATOM 261 CG PRO A 17 10.506 8.011 5.746 1.00 0.00 C ATOM 262 CD PRO A 17 9.970 6.690 5.192 1.00 0.00 C ATOM 0 HA PRO A 17 9.540 6.157 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.570 8.652 7.827 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.542 7.233 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.833 8.842 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.474 8.267 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.341 6.861 4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.786 6.041 4.874 1.00 0.00 H new ATOM 270 N TYR A 18 7.138 7.780 7.090 1.00 0.00 N ATOM 271 CA TYR A 18 5.875 8.482 7.372 1.00 0.00 C ATOM 272 C TYR A 18 5.170 7.944 8.631 1.00 0.00 C ATOM 273 O TYR A 18 4.666 8.711 9.453 1.00 0.00 O ATOM 274 CB TYR A 18 4.935 8.373 6.157 1.00 0.00 C ATOM 275 CG TYR A 18 5.600 8.570 4.805 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.077 9.845 4.444 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.748 7.484 3.916 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.680 10.042 3.187 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.350 7.678 2.656 1.00 0.00 C ATOM 280 CZ TYR A 18 6.807 8.962 2.287 1.00 0.00 C ATOM 281 OH TYR A 18 7.367 9.167 1.063 1.00 0.00 O ATOM 0 H TYR A 18 7.159 7.368 6.157 1.00 0.00 H new ATOM 0 HA TYR A 18 6.120 9.527 7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.461 7.392 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.141 9.112 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.980 10.672 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.399 6.502 4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.046 11.020 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.461 6.847 1.975 1.00 0.00 H new ATOM 0 HH TYR A 18 7.382 8.323 0.565 1.00 0.00 H new ATOM 291 N GLY A 19 5.136 6.615 8.778 1.00 0.00 N ATOM 292 CA GLY A 19 4.581 5.879 9.922 1.00 0.00 C ATOM 293 C GLY A 19 3.096 5.533 9.773 1.00 0.00 C ATOM 294 O GLY A 19 2.617 4.594 10.403 1.00 0.00 O ATOM 0 H GLY A 19 5.514 5.990 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.147 4.958 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.717 6.474 10.825 1.00 0.00 H new ATOM 298 N VAL A 20 2.353 6.278 8.951 1.00 0.00 N ATOM 299 CA VAL A 20 0.943 6.031 8.610 1.00 0.00 C ATOM 300 C VAL A 20 0.691 6.438 7.157 1.00 0.00 C ATOM 301 O VAL A 20 1.183 7.477 6.714 1.00 0.00 O ATOM 302 CB VAL A 20 -0.018 6.822 9.532 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.486 6.481 9.236 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.221 6.562 11.025 1.00 0.00 C ATOM 0 H VAL A 20 2.729 7.103 8.484 1.00 0.00 H new ATOM 0 HA VAL A 20 0.748 4.968 8.748 1.00 0.00 H new ATOM 0 HB VAL A 20 0.191 7.870 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.134 7.053 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.716 6.732 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.652 5.416 9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.486 7.147 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.080 5.502 11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.239 6.852 11.286 1.00 0.00 H new ATOM 314 N GLY A 21 -0.097 5.649 6.431 1.00 0.00 N ATOM 315 CA GLY A 21 -0.544 5.906 5.063 1.00 0.00 C ATOM 316 C GLY A 21 -1.889 5.232 4.781 1.00 0.00 C ATOM 317 O GLY A 21 -2.362 4.399 5.559 1.00 0.00 O ATOM 0 H GLY A 21 -0.460 4.769 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.633 6.981 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.203 5.540 4.359 1.00 0.00 H new ATOM 321 N VAL A 22 -2.504 5.582 3.652 1.00 0.00 N ATOM 322 CA VAL A 22 -3.744 4.968 3.161 1.00 0.00 C ATOM 323 C VAL A 22 -3.568 4.561 1.701 1.00 0.00 C ATOM 324 O VAL A 22 -3.002 5.302 0.892 1.00 0.00 O ATOM 325 CB VAL A 22 -4.970 5.881 3.367 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.143 6.264 4.844 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.962 7.151 2.505 1.00 0.00 C ATOM 0 H VAL A 22 -2.149 6.315 3.038 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.943 4.073 3.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.819 5.282 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.016 6.908 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.280 5.362 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.256 6.795 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.858 7.736 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.079 7.745 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.943 6.875 1.451 1.00 0.00 H new ATOM 337 N VAL A 23 -4.013 3.352 1.363 1.00 0.00 N ATOM 338 CA VAL A 23 -3.975 2.834 -0.013 1.00 0.00 C ATOM 339 C VAL A 23 -5.043 3.551 -0.855 1.00 0.00 C ATOM 340 O VAL A 23 -6.147 3.793 -0.366 1.00 0.00 O ATOM 341 CB VAL A 23 -4.201 1.308 -0.008 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.091 0.731 -1.424 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.233 0.563 0.939 1.00 0.00 C ATOM 0 H VAL A 23 -4.413 2.697 2.035 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.997 3.026 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.212 1.151 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.254 -0.346 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.842 1.193 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.098 0.935 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.439 -0.507 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.205 0.746 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.372 0.923 1.958 1.00 0.00 H new ATOM 353 N ALA A 24 -4.750 3.879 -2.114 1.00 0.00 N ATOM 354 CA ALA A 24 -5.673 4.546 -3.041 1.00 0.00 C ATOM 355 C ALA A 24 -6.284 3.576 -4.071 1.00 0.00 C ATOM 356 O ALA A 24 -7.493 3.604 -4.309 1.00 0.00 O ATOM 357 CB ALA A 24 -4.929 5.694 -3.736 1.00 0.00 C ATOM 0 H ALA A 24 -3.840 3.684 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.512 4.939 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.603 6.198 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.578 6.405 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.077 5.295 -4.286 1.00 0.00 H new ATOM 363 N GLY A 25 -5.462 2.709 -4.671 1.00 0.00 N ATOM 364 CA GLY A 25 -5.889 1.691 -5.636 1.00 0.00 C ATOM 365 C GLY A 25 -4.722 0.939 -6.278 1.00 0.00 C ATOM 366 O GLY A 25 -3.554 1.265 -6.054 1.00 0.00 O ATOM 0 H GLY A 25 -4.457 2.695 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.541 0.976 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.480 2.167 -6.418 1.00 0.00 H new ATOM 370 N ILE A 26 -5.044 -0.080 -7.076 1.00 0.00 N ATOM 371 CA ILE A 26 -4.073 -0.905 -7.801 1.00 0.00 C ATOM 372 C ILE A 26 -3.700 -0.198 -9.110 1.00 0.00 C ATOM 373 O ILE A 26 -4.475 -0.187 -10.070 1.00 0.00 O ATOM 374 CB ILE A 26 -4.611 -2.338 -8.052 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.839 -3.140 -6.750 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.586 -3.104 -8.907 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.105 -2.772 -5.967 1.00 0.00 C ATOM 0 H ILE A 26 -6.010 -0.362 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.177 -1.022 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.574 -2.235 -8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.881 -4.200 -6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.976 -2.999 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.950 -4.115 -9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.447 -2.588 -9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.634 -3.152 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.172 -3.391 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.062 -1.721 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.982 -2.942 -6.592 1.00 0.00 H new ATOM 389 N ALA A 27 -2.507 0.393 -9.146 1.00 0.00 N ATOM 390 CA ALA A 27 -1.935 1.023 -10.333 1.00 0.00 C ATOM 391 C ALA A 27 -0.914 0.075 -10.982 1.00 0.00 C ATOM 392 O ALA A 27 0.116 -0.248 -10.390 1.00 0.00 O ATOM 393 CB ALA A 27 -1.295 2.354 -9.915 1.00 0.00 C ATOM 0 H ALA A 27 -1.897 0.448 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.707 1.226 -11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.862 2.840 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.055 3.002 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.513 2.166 -9.179 1.00 0.00 H new ATOM 399 N GLN A 28 -1.184 -0.383 -12.205 1.00 0.00 N ATOM 400 CA GLN A 28 -0.250 -1.214 -12.965 1.00 0.00 C ATOM 401 C GLN A 28 0.828 -0.373 -13.678 1.00 0.00 C ATOM 402 O GLN A 28 0.514 0.438 -14.554 1.00 0.00 O ATOM 403 CB GLN A 28 -0.996 -2.135 -13.937 1.00 0.00 C ATOM 404 CG GLN A 28 -2.054 -3.021 -13.252 1.00 0.00 C ATOM 405 CD GLN A 28 -2.185 -4.394 -13.913 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.196 -4.739 -14.512 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.179 -5.240 -13.814 1.00 0.00 N ATOM 0 H GLN A 28 -2.056 -0.188 -12.696 1.00 0.00 H new ATOM 0 HA GLN A 28 0.277 -1.848 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.481 -1.528 -14.701 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.274 -2.773 -14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.790 -3.150 -12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.019 -2.515 -13.278 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.330 -4.967 -13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.249 -6.167 -14.233 1.00 0.00 H new ATOM 416 N ARG A 29 2.099 -0.552 -13.292 1.00 0.00 N ATOM 417 CA ARG A 29 3.283 0.087 -13.900 1.00 0.00 C ATOM 418 C ARG A 29 3.931 -0.812 -14.958 1.00 0.00 C ATOM 419 O ARG A 29 4.093 -2.014 -14.747 1.00 0.00 O ATOM 420 CB ARG A 29 4.314 0.421 -12.805 1.00 0.00 C ATOM 421 CG ARG A 29 3.965 1.678 -11.991 1.00 0.00 C ATOM 422 CD ARG A 29 4.189 2.964 -12.811 1.00 0.00 C ATOM 423 NE ARG A 29 5.008 3.960 -12.088 1.00 0.00 N ATOM 424 CZ ARG A 29 6.314 3.930 -11.875 1.00 0.00 C ATOM 425 NH1 ARG A 29 7.069 2.950 -12.287 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.902 4.900 -11.238 1.00 0.00 N ATOM 0 H ARG A 29 2.344 -1.169 -12.518 1.00 0.00 H new ATOM 0 HA ARG A 29 2.952 1.002 -14.392 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.399 -0.428 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.291 0.558 -13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.925 1.627 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.576 1.710 -11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.677 2.711 -13.752 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.224 3.404 -13.061 1.00 0.00 H new ATOM 0 HE ARG A 29 4.508 4.764 -11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.657 2.167 -12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.072 2.966 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.356 5.692 -10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.909 4.869 -11.078 1.00 0.00 H new ATOM 440 N SER A 30 4.352 -0.201 -16.065 1.00 0.00 N ATOM 441 CA SER A 30 5.068 -0.825 -17.189 1.00 0.00 C ATOM 442 C SER A 30 6.589 -0.753 -16.992 1.00 0.00 C ATOM 443 O SER A 30 7.201 0.291 -17.231 1.00 0.00 O ATOM 444 CB SER A 30 4.677 -0.125 -18.499 1.00 0.00 C ATOM 445 OG SER A 30 3.338 -0.437 -18.854 1.00 0.00 O ATOM 0 H SER A 30 4.197 0.796 -16.215 1.00 0.00 H new ATOM 0 HA SER A 30 4.785 -1.877 -17.234 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.787 0.954 -18.388 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.352 -0.434 -19.298 1.00 0.00 H new ATOM 0 HG SER A 30 3.106 0.019 -19.690 1.00 0.00 H new ATOM 451 N VAL A 31 7.204 -1.851 -16.540 1.00 0.00 N ATOM 452 CA VAL A 31 8.657 -1.980 -16.283 1.00 0.00 C ATOM 453 C VAL A 31 9.145 -3.356 -16.755 1.00 0.00 C ATOM 454 O VAL A 31 8.399 -4.326 -16.677 1.00 0.00 O ATOM 455 CB VAL A 31 8.964 -1.786 -14.778 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.473 -1.821 -14.497 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.436 -0.448 -14.235 1.00 0.00 C ATOM 0 H VAL A 31 6.693 -2.709 -16.333 1.00 0.00 H new ATOM 0 HA VAL A 31 9.183 -1.205 -16.839 1.00 0.00 H new ATOM 0 HB VAL A 31 8.459 -2.613 -14.279 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.648 -1.681 -13.430 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.879 -2.784 -14.808 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.965 -1.023 -15.053 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.679 -0.364 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.900 0.374 -14.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.355 -0.404 -14.364 1.00 0.00 H new ATOM 467 N SER A 32 10.387 -3.487 -17.239 1.00 0.00 N ATOM 468 CA SER A 32 10.965 -4.772 -17.700 1.00 0.00 C ATOM 469 C SER A 32 10.134 -5.468 -18.809 1.00 0.00 C ATOM 470 O SER A 32 10.156 -6.691 -18.967 1.00 0.00 O ATOM 471 CB SER A 32 11.220 -5.665 -16.468 1.00 0.00 C ATOM 472 OG SER A 32 12.110 -6.738 -16.736 1.00 0.00 O ATOM 0 H SER A 32 11.031 -2.701 -17.326 1.00 0.00 H new ATOM 0 HA SER A 32 11.916 -4.571 -18.193 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.627 -5.055 -15.662 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.271 -6.067 -16.115 1.00 0.00 H new ATOM 0 HG SER A 32 11.851 -7.177 -17.573 1.00 0.00 H new ATOM 478 N GLY A 33 9.360 -4.690 -19.581 1.00 0.00 N ATOM 479 CA GLY A 33 8.421 -5.181 -20.600 1.00 0.00 C ATOM 480 C GLY A 33 7.199 -5.935 -20.048 1.00 0.00 C ATOM 481 O GLY A 33 6.515 -6.626 -20.807 1.00 0.00 O ATOM 0 H GLY A 33 9.371 -3.672 -19.511 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.071 -4.333 -21.188 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.959 -5.841 -21.281 1.00 0.00 H new ATOM 485 N VAL A 34 6.915 -5.819 -18.744 1.00 0.00 N ATOM 486 CA VAL A 34 5.810 -6.482 -18.032 1.00 0.00 C ATOM 487 C VAL A 34 5.021 -5.479 -17.185 1.00 0.00 C ATOM 488 O VAL A 34 5.582 -4.620 -16.504 1.00 0.00 O ATOM 489 CB VAL A 34 6.328 -7.690 -17.217 1.00 0.00 C ATOM 490 CG1 VAL A 34 7.423 -7.358 -16.195 1.00 0.00 C ATOM 491 CG2 VAL A 34 5.202 -8.429 -16.483 1.00 0.00 C ATOM 0 H VAL A 34 7.475 -5.233 -18.126 1.00 0.00 H new ATOM 0 HA VAL A 34 5.109 -6.880 -18.765 1.00 0.00 H new ATOM 0 HB VAL A 34 6.768 -8.329 -17.982 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.722 -8.267 -15.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.286 -6.935 -16.710 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.041 -6.635 -15.474 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.620 -9.268 -15.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.708 -7.746 -15.792 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.477 -8.799 -17.208 1.00 0.00 H new ATOM 501 N SER A 35 3.692 -5.556 -17.248 1.00 0.00 N ATOM 502 CA SER A 35 2.822 -4.728 -16.411 1.00 0.00 C ATOM 503 C SER A 35 2.677 -5.384 -15.036 1.00 0.00 C ATOM 504 O SER A 35 2.191 -6.516 -14.943 1.00 0.00 O ATOM 505 CB SER A 35 1.460 -4.569 -17.089 1.00 0.00 C ATOM 506 OG SER A 35 0.765 -3.496 -16.490 1.00 0.00 O ATOM 0 H SER A 35 3.191 -6.187 -17.874 1.00 0.00 H new ATOM 0 HA SER A 35 3.257 -3.737 -16.281 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.591 -4.383 -18.155 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.884 -5.489 -16.994 1.00 0.00 H new ATOM 0 HG SER A 35 -0.108 -3.389 -16.923 1.00 0.00 H new ATOM 512 N ARG A 36 3.081 -4.694 -13.962 1.00 0.00 N ATOM 513 CA ARG A 36 2.958 -5.184 -12.574 1.00 0.00 C ATOM 514 C ARG A 36 2.080 -4.251 -11.763 1.00 0.00 C ATOM 515 O ARG A 36 2.234 -3.034 -11.831 1.00 0.00 O ATOM 516 CB ARG A 36 4.331 -5.338 -11.898 1.00 0.00 C ATOM 517 CG ARG A 36 5.336 -6.089 -12.774 1.00 0.00 C ATOM 518 CD ARG A 36 6.522 -6.634 -11.960 1.00 0.00 C ATOM 519 NE ARG A 36 7.029 -7.902 -12.527 1.00 0.00 N ATOM 520 CZ ARG A 36 6.448 -9.090 -12.458 1.00 0.00 C ATOM 521 NH1 ARG A 36 5.326 -9.279 -11.822 1.00 0.00 N ATOM 522 NH2 ARG A 36 6.980 -10.124 -13.043 1.00 0.00 N ATOM 0 H ARG A 36 3.507 -3.770 -14.028 1.00 0.00 H new ATOM 0 HA ARG A 36 2.496 -6.170 -12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.728 -4.351 -11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.210 -5.869 -10.954 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.832 -6.915 -13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.707 -5.422 -13.552 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.323 -5.895 -11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.213 -6.793 -10.927 1.00 0.00 H new ATOM 0 HE ARG A 36 7.919 -7.857 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.866 -8.497 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.908 -10.209 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.853 -10.024 -13.561 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.524 -11.034 -12.983 1.00 0.00 H new ATOM 536 N ALA A 37 1.155 -4.823 -11.004 1.00 0.00 N ATOM 537 CA ALA A 37 0.280 -4.086 -10.105 1.00 0.00 C ATOM 538 C ALA A 37 1.034 -3.589 -8.862 1.00 0.00 C ATOM 539 O ALA A 37 1.802 -4.325 -8.236 1.00 0.00 O ATOM 540 CB ALA A 37 -0.900 -4.991 -9.752 1.00 0.00 C ATOM 0 H ALA A 37 0.990 -5.829 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.092 -3.186 -10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.574 -4.463 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.436 -5.262 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.533 -5.894 -9.265 1.00 0.00 H new ATOM 546 N TYR A 38 0.765 -2.338 -8.497 1.00 0.00 N ATOM 547 CA TYR A 38 1.336 -1.656 -7.348 1.00 0.00 C ATOM 548 C TYR A 38 0.277 -0.831 -6.616 1.00 0.00 C ATOM 549 O TYR A 38 -0.410 -0.007 -7.223 1.00 0.00 O ATOM 550 CB TYR A 38 2.478 -0.750 -7.812 1.00 0.00 C ATOM 551 CG TYR A 38 3.734 -1.489 -8.235 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.606 -1.994 -7.256 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.046 -1.662 -9.596 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.797 -2.648 -7.620 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.247 -2.293 -9.970 1.00 0.00 C ATOM 556 CZ TYR A 38 6.126 -2.789 -8.985 1.00 0.00 C ATOM 557 OH TYR A 38 7.292 -3.382 -9.363 1.00 0.00 O ATOM 0 H TYR A 38 0.115 -1.750 -9.019 1.00 0.00 H new ATOM 0 HA TYR A 38 1.719 -2.404 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.128 -0.145 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.730 -0.062 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.359 -1.879 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.363 -1.310 -10.355 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.456 -3.040 -6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.497 -2.398 -11.016 1.00 0.00 H new ATOM 0 HH TYR A 38 7.351 -3.393 -10.341 1.00 0.00 H new ATOM 567 N TYR A 39 0.127 -1.049 -5.311 1.00 0.00 N ATOM 568 CA TYR A 39 -0.772 -0.256 -4.477 1.00 0.00 C ATOM 569 C TYR A 39 -0.268 1.191 -4.404 1.00 0.00 C ATOM 570 O TYR A 39 0.801 1.445 -3.849 1.00 0.00 O ATOM 571 CB TYR A 39 -0.873 -0.876 -3.076 1.00 0.00 C ATOM 572 CG TYR A 39 -1.308 -2.329 -3.032 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.418 -2.763 -3.782 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.602 -3.251 -2.235 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.817 -4.114 -3.744 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.009 -4.596 -2.186 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.129 -5.030 -2.923 1.00 0.00 C ATOM 578 OH TYR A 39 -2.526 -6.330 -2.861 1.00 0.00 O ATOM 0 H TYR A 39 0.625 -1.780 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.769 -0.252 -4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.099 -0.791 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.576 -0.287 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.966 -2.057 -4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.253 -2.925 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.650 -4.448 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.460 -5.301 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.941 -6.822 -2.248 1.00 0.00 H new ATOM 588 N GLN A 40 -0.995 2.132 -5.012 1.00 0.00 N ATOM 589 CA GLN A 40 -0.701 3.563 -4.941 1.00 0.00 C ATOM 590 C GLN A 40 -1.017 4.042 -3.516 1.00 0.00 C ATOM 591 O GLN A 40 -2.185 4.194 -3.167 1.00 0.00 O ATOM 592 CB GLN A 40 -1.543 4.319 -5.988 1.00 0.00 C ATOM 593 CG GLN A 40 -1.189 5.818 -6.051 1.00 0.00 C ATOM 594 CD GLN A 40 -2.303 6.672 -6.657 1.00 0.00 C ATOM 595 OE1 GLN A 40 -2.877 7.539 -6.012 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.640 6.494 -7.916 1.00 0.00 N ATOM 0 H GLN A 40 -1.817 1.916 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 40 0.349 3.757 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.388 3.870 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.601 4.207 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.971 6.176 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.280 5.946 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.174 5.777 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.367 7.073 -8.336 1.00 0.00 H new ATOM 605 N VAL A 41 -0.010 4.240 -2.669 1.00 0.00 N ATOM 606 CA VAL A 41 -0.203 4.800 -1.317 1.00 0.00 C ATOM 607 C VAL A 41 -0.171 6.331 -1.379 1.00 0.00 C ATOM 608 O VAL A 41 0.514 6.896 -2.229 1.00 0.00 O ATOM 609 CB VAL A 41 0.868 4.270 -0.343 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.511 4.633 1.105 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.996 2.740 -0.406 1.00 0.00 C ATOM 0 H VAL A 41 0.961 4.021 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.177 4.483 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 41 1.808 4.733 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.280 4.250 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.450 5.717 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.451 4.191 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.762 2.410 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.042 2.284 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.276 2.440 -1.416 1.00 0.00 H new ATOM 621 N ASP A 42 -0.881 7.016 -0.484 1.00 0.00 N ATOM 622 CA ASP A 42 -0.867 8.478 -0.353 1.00 0.00 C ATOM 623 C ASP A 42 -0.762 8.880 1.129 1.00 0.00 C ATOM 624 O ASP A 42 -1.430 8.296 1.990 1.00 0.00 O ATOM 625 CB ASP A 42 -2.124 9.054 -1.024 1.00 0.00 C ATOM 626 CG ASP A 42 -2.048 10.581 -1.181 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.377 11.056 -2.128 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.678 11.306 -0.376 1.00 0.00 O ATOM 0 H ASP A 42 -1.498 6.561 0.189 1.00 0.00 H new ATOM 0 HA ASP A 42 0.007 8.892 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.253 8.595 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.002 8.794 -0.432 1.00 0.00 H new ATOM 633 N PHE A 43 0.092 9.863 1.431 1.00 0.00 N ATOM 634 CA PHE A 43 0.374 10.338 2.793 1.00 0.00 C ATOM 635 C PHE A 43 0.033 11.833 2.932 1.00 0.00 C ATOM 636 O PHE A 43 0.255 12.593 1.983 1.00 0.00 O ATOM 637 CB PHE A 43 1.853 10.101 3.153 1.00 0.00 C ATOM 638 CG PHE A 43 2.428 8.793 2.647 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.254 7.607 3.376 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.098 8.759 1.412 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.747 6.394 2.873 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.588 7.548 0.900 1.00 0.00 C ATOM 643 CZ PHE A 43 3.413 6.364 1.633 1.00 0.00 C ATOM 0 H PHE A 43 0.621 10.365 0.718 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.252 9.772 3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.446 10.922 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.958 10.133 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.740 7.628 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.237 9.672 0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.616 5.483 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.097 7.527 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.790 5.429 1.245 1.00 0.00 H new ATOM 653 N PRO A 44 -0.464 12.294 4.096 1.00 0.00 N ATOM 654 CA PRO A 44 -0.773 13.707 4.316 1.00 0.00 C ATOM 655 C PRO A 44 0.493 14.582 4.377 1.00 0.00 C ATOM 656 O PRO A 44 1.607 14.099 4.595 1.00 0.00 O ATOM 657 CB PRO A 44 -1.570 13.738 5.625 1.00 0.00 C ATOM 658 CG PRO A 44 -1.050 12.520 6.389 1.00 0.00 C ATOM 659 CD PRO A 44 -0.775 11.507 5.280 1.00 0.00 C ATOM 0 HA PRO A 44 -1.345 14.127 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.398 14.662 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.643 13.670 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.148 12.754 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.785 12.147 7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.056 10.853 5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.642 10.869 5.109 1.00 0.00 H new ATOM 667 N GLY A 45 0.316 15.893 4.186 1.00 0.00 N ATOM 668 CA GLY A 45 1.382 16.908 4.195 1.00 0.00 C ATOM 669 C GLY A 45 2.164 17.056 2.879 1.00 0.00 C ATOM 670 O GLY A 45 2.844 18.068 2.686 1.00 0.00 O ATOM 0 H GLY A 45 -0.606 16.294 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.940 17.872 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.086 16.664 4.991 1.00 0.00 H new ATOM 674 N SER A 46 2.073 16.082 1.966 1.00 0.00 N ATOM 675 CA SER A 46 2.747 16.062 0.651 1.00 0.00 C ATOM 676 C SER A 46 1.940 15.247 -0.381 1.00 0.00 C ATOM 677 O SER A 46 0.830 14.794 -0.095 1.00 0.00 O ATOM 678 CB SER A 46 4.175 15.474 0.761 1.00 0.00 C ATOM 679 OG SER A 46 4.837 15.754 1.988 1.00 0.00 O ATOM 0 H SER A 46 1.506 15.249 2.124 1.00 0.00 H new ATOM 0 HA SER A 46 2.813 17.096 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.120 14.393 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.778 15.863 -0.059 1.00 0.00 H new ATOM 0 HG SER A 46 5.729 15.348 1.979 1.00 0.00 H new ATOM 685 N ARG A 47 2.489 15.055 -1.591 1.00 0.00 N ATOM 686 CA ARG A 47 1.923 14.218 -2.676 1.00 0.00 C ATOM 687 C ARG A 47 2.733 12.945 -2.946 1.00 0.00 C ATOM 688 O ARG A 47 2.440 12.213 -3.896 1.00 0.00 O ATOM 689 CB ARG A 47 1.710 15.060 -3.952 1.00 0.00 C ATOM 690 CG ARG A 47 0.223 15.172 -4.314 1.00 0.00 C ATOM 691 CD ARG A 47 -0.565 15.955 -3.252 1.00 0.00 C ATOM 692 NE ARG A 47 -1.984 16.096 -3.626 1.00 0.00 N ATOM 693 CZ ARG A 47 -2.510 16.964 -4.470 1.00 0.00 C ATOM 694 NH1 ARG A 47 -1.786 17.847 -5.100 1.00 0.00 N ATOM 695 NH2 ARG A 47 -3.791 16.958 -4.702 1.00 0.00 N ATOM 0 H ARG A 47 3.372 15.492 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 47 0.950 13.866 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.125 16.057 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.254 14.608 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.120 15.666 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.202 14.174 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.490 15.444 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.122 16.942 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.634 15.448 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.778 17.882 -4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.228 18.502 -5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.391 16.281 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.194 17.630 -5.355 1.00 0.00 H new ATOM 709 N SER A 48 3.740 12.680 -2.111 1.00 0.00 N ATOM 710 CA SER A 48 4.552 11.465 -2.151 1.00 0.00 C ATOM 711 C SER A 48 3.670 10.220 -2.138 1.00 0.00 C ATOM 712 O SER A 48 2.640 10.160 -1.461 1.00 0.00 O ATOM 713 CB SER A 48 5.530 11.424 -0.971 1.00 0.00 C ATOM 714 OG SER A 48 6.560 12.380 -1.169 1.00 0.00 O ATOM 0 H SER A 48 4.019 13.322 -1.369 1.00 0.00 H new ATOM 0 HA SER A 48 5.123 11.478 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.001 11.632 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.960 10.427 -0.877 1.00 0.00 H new ATOM 0 HG SER A 48 7.182 12.352 -0.412 1.00 0.00 H new ATOM 720 N LYS A 49 4.097 9.226 -2.911 1.00 0.00 N ATOM 721 CA LYS A 49 3.446 7.930 -3.071 1.00 0.00 C ATOM 722 C LYS A 49 4.498 6.830 -3.116 1.00 0.00 C ATOM 723 O LYS A 49 5.588 7.018 -3.660 1.00 0.00 O ATOM 724 CB LYS A 49 2.537 7.939 -4.318 1.00 0.00 C ATOM 725 CG LYS A 49 3.237 8.408 -5.607 1.00 0.00 C ATOM 726 CD LYS A 49 2.421 8.112 -6.875 1.00 0.00 C ATOM 727 CE LYS A 49 1.639 9.297 -7.462 1.00 0.00 C ATOM 728 NZ LYS A 49 0.653 9.887 -6.519 1.00 0.00 N ATOM 0 H LYS A 49 4.947 9.306 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 49 2.802 7.728 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.146 6.934 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.682 8.587 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.423 9.480 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.209 7.920 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.099 7.735 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.716 7.312 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.344 10.070 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.117 8.967 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.163 10.680 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.041 9.163 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.147 10.232 -5.671 1.00 0.00 H new ATOM 742 N ALA A 50 4.159 5.684 -2.543 1.00 0.00 N ATOM 743 CA ALA A 50 5.003 4.499 -2.516 1.00 0.00 C ATOM 744 C ALA A 50 4.288 3.361 -3.246 1.00 0.00 C ATOM 745 O ALA A 50 3.199 2.958 -2.846 1.00 0.00 O ATOM 746 CB ALA A 50 5.293 4.144 -1.060 1.00 0.00 C ATOM 0 H ALA A 50 3.265 5.550 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 50 5.951 4.678 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.925 3.257 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.805 4.976 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.356 3.945 -0.540 1.00 0.00 H new ATOM 752 N TYR A 51 4.869 2.870 -4.336 1.00 0.00 N ATOM 753 CA TYR A 51 4.311 1.768 -5.115 1.00 0.00 C ATOM 754 C TYR A 51 4.641 0.418 -4.462 1.00 0.00 C ATOM 755 O TYR A 51 5.746 -0.107 -4.619 1.00 0.00 O ATOM 756 CB TYR A 51 4.879 1.857 -6.540 1.00 0.00 C ATOM 757 CG TYR A 51 4.395 3.055 -7.330 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.053 3.127 -7.755 1.00 0.00 C ATOM 759 CD2 TYR A 51 5.291 4.094 -7.647 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.621 4.215 -8.536 1.00 0.00 C ATOM 761 CE2 TYR A 51 4.856 5.193 -8.410 1.00 0.00 C ATOM 762 CZ TYR A 51 3.527 5.238 -8.888 1.00 0.00 C ATOM 763 OH TYR A 51 3.117 6.251 -9.699 1.00 0.00 O ATOM 0 H TYR A 51 5.749 3.229 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 51 3.224 1.843 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.967 1.889 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.615 0.949 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.357 2.348 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.314 4.047 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.594 4.267 -8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.537 6.002 -8.630 1.00 0.00 H new ATOM 0 HH TYR A 51 3.859 6.874 -9.845 1.00 0.00 H new ATOM 773 N VAL A 52 3.693 -0.149 -3.710 1.00 0.00 N ATOM 774 CA VAL A 52 3.896 -1.420 -2.987 1.00 0.00 C ATOM 775 C VAL A 52 3.527 -2.620 -3.871 1.00 0.00 C ATOM 776 O VAL A 52 2.412 -2.643 -4.399 1.00 0.00 O ATOM 777 CB VAL A 52 3.086 -1.465 -1.684 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.264 -2.817 -0.978 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.501 -0.313 -0.748 1.00 0.00 C ATOM 0 H VAL A 52 2.765 0.254 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 52 4.955 -1.479 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 52 2.032 -1.345 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.681 -2.826 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.920 -3.618 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.317 -2.968 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.916 -0.362 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.561 -0.403 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.320 0.641 -1.243 1.00 0.00 H new ATOM 789 N PRO A 53 4.413 -3.622 -4.040 1.00 0.00 N ATOM 790 CA PRO A 53 4.153 -4.793 -4.878 1.00 0.00 C ATOM 791 C PRO A 53 3.025 -5.670 -4.320 1.00 0.00 C ATOM 792 O PRO A 53 3.017 -6.012 -3.137 1.00 0.00 O ATOM 793 CB PRO A 53 5.478 -5.564 -4.918 1.00 0.00 C ATOM 794 CG PRO A 53 6.173 -5.166 -3.619 1.00 0.00 C ATOM 795 CD PRO A 53 5.737 -3.718 -3.436 1.00 0.00 C ATOM 0 HA PRO A 53 3.819 -4.494 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.313 -6.640 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.073 -5.291 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.859 -5.792 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.257 -5.256 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.705 -3.450 -2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.437 -3.035 -3.918 1.00 0.00 H new ATOM 803 N VAL A 54 2.102 -6.097 -5.186 1.00 0.00 N ATOM 804 CA VAL A 54 1.014 -7.024 -4.814 1.00 0.00 C ATOM 805 C VAL A 54 1.482 -8.463 -4.552 1.00 0.00 C ATOM 806 O VAL A 54 0.815 -9.205 -3.835 1.00 0.00 O ATOM 807 CB VAL A 54 -0.103 -7.037 -5.872 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.732 -5.648 -6.035 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.375 -7.511 -7.248 1.00 0.00 C ATOM 0 H VAL A 54 2.082 -5.814 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 54 0.628 -6.635 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.841 -7.748 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.518 -5.691 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.159 -5.328 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.033 -4.937 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.460 -7.497 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.162 -6.848 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.764 -8.526 -7.168 1.00 0.00 H new ATOM 819 N GLU A 55 2.624 -8.871 -5.114 1.00 0.00 N ATOM 820 CA GLU A 55 3.207 -10.209 -4.919 1.00 0.00 C ATOM 821 C GLU A 55 3.791 -10.408 -3.510 1.00 0.00 C ATOM 822 O GLU A 55 3.642 -11.481 -2.921 1.00 0.00 O ATOM 823 CB GLU A 55 4.263 -10.498 -6.005 1.00 0.00 C ATOM 824 CG GLU A 55 5.440 -9.509 -6.043 1.00 0.00 C ATOM 825 CD GLU A 55 6.397 -9.808 -7.211 1.00 0.00 C ATOM 826 OE1 GLU A 55 7.155 -10.807 -7.141 1.00 0.00 O ATOM 827 OE2 GLU A 55 6.409 -9.035 -8.199 1.00 0.00 O ATOM 0 H GLU A 55 3.180 -8.275 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 55 2.394 -10.929 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.656 -11.503 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.772 -10.494 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.058 -8.492 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.988 -9.559 -5.102 1.00 0.00 H new ATOM 834 N ALA A 56 4.456 -9.380 -2.972 1.00 0.00 N ATOM 835 CA ALA A 56 5.070 -9.389 -1.647 1.00 0.00 C ATOM 836 C ALA A 56 4.876 -8.039 -0.920 1.00 0.00 C ATOM 837 O ALA A 56 5.846 -7.311 -0.690 1.00 0.00 O ATOM 838 CB ALA A 56 6.541 -9.796 -1.827 1.00 0.00 C ATOM 0 H ALA A 56 4.584 -8.495 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 56 4.585 -10.114 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.035 -9.814 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.592 -10.787 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.041 -9.076 -2.475 1.00 0.00 H new ATOM 844 N PRO A 57 3.650 -7.701 -0.479 1.00 0.00 N ATOM 845 CA PRO A 57 3.381 -6.413 0.162 1.00 0.00 C ATOM 846 C PRO A 57 4.019 -6.316 1.556 1.00 0.00 C ATOM 847 O PRO A 57 4.444 -5.243 1.978 1.00 0.00 O ATOM 848 CB PRO A 57 1.857 -6.302 0.184 1.00 0.00 C ATOM 849 CG PRO A 57 1.377 -7.752 0.218 1.00 0.00 C ATOM 850 CD PRO A 57 2.418 -8.462 -0.644 1.00 0.00 C ATOM 0 HA PRO A 57 3.827 -5.579 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.511 -5.747 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.483 -5.779 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.352 -8.148 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.372 -7.857 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.551 -9.496 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.110 -8.487 -1.689 1.00 0.00 H new ATOM 858 N HIS A 58 4.158 -7.445 2.261 1.00 0.00 N ATOM 859 CA HIS A 58 4.844 -7.521 3.558 1.00 0.00 C ATOM 860 C HIS A 58 6.380 -7.453 3.435 1.00 0.00 C ATOM 861 O HIS A 58 7.040 -7.028 4.380 1.00 0.00 O ATOM 862 CB HIS A 58 4.387 -8.787 4.305 1.00 0.00 C ATOM 863 CG HIS A 58 4.908 -10.073 3.706 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.269 -10.862 2.763 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.116 -10.646 3.994 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.096 -11.887 2.466 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.221 -11.777 3.204 1.00 0.00 N ATOM 0 H HIS A 58 3.793 -8.343 1.944 1.00 0.00 H new ATOM 0 HA HIS A 58 4.563 -6.641 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.714 -8.723 5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.297 -8.818 4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.847 -10.285 4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.890 -12.670 1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.014 -12.419 3.183 1.00 0.00 H new ATOM 876 N SER A 59 6.958 -7.824 2.282 1.00 0.00 N ATOM 877 CA SER A 59 8.416 -7.828 2.026 1.00 0.00 C ATOM 878 C SER A 59 9.040 -6.433 2.161 1.00 0.00 C ATOM 879 O SER A 59 10.099 -6.282 2.774 1.00 0.00 O ATOM 880 CB SER A 59 8.710 -8.429 0.643 1.00 0.00 C ATOM 881 OG SER A 59 10.081 -8.346 0.288 1.00 0.00 O ATOM 0 H SER A 59 6.415 -8.138 1.478 1.00 0.00 H new ATOM 0 HA SER A 59 8.879 -8.451 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.399 -9.474 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.113 -7.911 -0.108 1.00 0.00 H new ATOM 0 HG SER A 59 10.214 -8.743 -0.598 1.00 0.00 H new ATOM 887 N VAL A 60 8.366 -5.396 1.645 1.00 0.00 N ATOM 888 CA VAL A 60 8.791 -3.987 1.794 1.00 0.00 C ATOM 889 C VAL A 60 8.674 -3.472 3.246 1.00 0.00 C ATOM 890 O VAL A 60 9.285 -2.462 3.600 1.00 0.00 O ATOM 891 CB VAL A 60 8.023 -3.090 0.796 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.508 -3.092 1.029 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.529 -1.645 0.767 1.00 0.00 C ATOM 0 H VAL A 60 7.505 -5.506 1.109 1.00 0.00 H new ATOM 0 HA VAL A 60 9.853 -3.939 1.555 1.00 0.00 H new ATOM 0 HB VAL A 60 8.224 -3.542 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.026 -2.444 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.125 -4.107 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.294 -2.727 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.947 -1.070 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.421 -1.202 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.580 -1.633 0.477 1.00 0.00 H new ATOM 903 N GLY A 61 7.921 -4.171 4.106 1.00 0.00 N ATOM 904 CA GLY A 61 7.637 -3.794 5.496 1.00 0.00 C ATOM 905 C GLY A 61 6.262 -3.146 5.719 1.00 0.00 C ATOM 906 O GLY A 61 6.056 -2.504 6.750 1.00 0.00 O ATOM 0 H GLY A 61 7.476 -5.050 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.709 -4.684 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.408 -3.103 5.835 1.00 0.00 H new ATOM 910 N LEU A 62 5.323 -3.279 4.772 1.00 0.00 N ATOM 911 CA LEU A 62 3.951 -2.772 4.903 1.00 0.00 C ATOM 912 C LEU A 62 3.153 -3.656 5.886 1.00 0.00 C ATOM 913 O LEU A 62 3.075 -4.876 5.707 1.00 0.00 O ATOM 914 CB LEU A 62 3.282 -2.723 3.510 1.00 0.00 C ATOM 915 CG LEU A 62 2.284 -1.566 3.301 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.495 -1.742 2.000 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.284 -1.420 4.431 1.00 0.00 C ATOM 0 H LEU A 62 5.498 -3.747 3.883 1.00 0.00 H new ATOM 0 HA LEU A 62 3.968 -1.760 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.062 -2.650 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.761 -3.666 3.341 1.00 0.00 H new ATOM 0 HG LEU A 62 2.900 -0.668 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.800 -0.911 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.185 -1.762 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.938 -2.678 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.613 -0.588 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.704 -2.338 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.814 -1.229 5.364 1.00 0.00 H new ATOM 929 N ARG A 63 2.548 -3.050 6.915 1.00 0.00 N ATOM 930 CA ARG A 63 1.659 -3.704 7.899 1.00 0.00 C ATOM 931 C ARG A 63 0.356 -2.919 8.084 1.00 0.00 C ATOM 932 O ARG A 63 0.298 -1.721 7.807 1.00 0.00 O ATOM 933 CB ARG A 63 2.412 -3.862 9.241 1.00 0.00 C ATOM 934 CG ARG A 63 3.448 -4.995 9.240 1.00 0.00 C ATOM 935 CD ARG A 63 2.792 -6.385 9.283 1.00 0.00 C ATOM 936 NE ARG A 63 2.987 -7.050 10.588 1.00 0.00 N ATOM 937 CZ ARG A 63 2.635 -8.284 10.907 1.00 0.00 C ATOM 938 NH1 ARG A 63 2.003 -9.058 10.070 1.00 0.00 N ATOM 939 NH2 ARG A 63 2.915 -8.769 12.082 1.00 0.00 N ATOM 0 H ARG A 63 2.665 -2.053 7.097 1.00 0.00 H new ATOM 0 HA ARG A 63 1.384 -4.690 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.914 -2.924 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.687 -4.045 10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.069 -4.916 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.109 -4.881 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.725 -6.289 9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.211 -7.008 8.493 1.00 0.00 H new ATOM 0 HE ARG A 63 3.440 -6.500 11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.766 -8.716 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.745 -10.005 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.410 -8.196 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.639 -9.722 12.319 1.00 0.00 H new ATOM 953 N LYS A 64 -0.702 -3.582 8.560 1.00 0.00 N ATOM 954 CA LYS A 64 -1.986 -2.935 8.890 1.00 0.00 C ATOM 955 C LYS A 64 -1.850 -2.174 10.209 1.00 0.00 C ATOM 956 O LYS A 64 -1.317 -2.715 11.181 1.00 0.00 O ATOM 957 CB LYS A 64 -3.121 -3.972 8.980 1.00 0.00 C ATOM 958 CG LYS A 64 -3.469 -4.512 7.588 1.00 0.00 C ATOM 959 CD LYS A 64 -4.630 -5.510 7.593 1.00 0.00 C ATOM 960 CE LYS A 64 -4.667 -6.249 6.248 1.00 0.00 C ATOM 961 NZ LYS A 64 -5.912 -7.046 6.094 1.00 0.00 N ATOM 0 H LYS A 64 -0.697 -4.588 8.730 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.240 -2.234 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.820 -4.794 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.003 -3.516 9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.722 -3.676 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.588 -4.993 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.509 -6.222 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.572 -4.989 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.593 -5.528 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.801 -6.907 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.902 -7.531 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.970 -7.751 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.737 -6.414 6.143 1.00 0.00 H new ATOM 975 N ALA A 65 -2.295 -0.919 10.238 1.00 0.00 N ATOM 976 CA ALA A 65 -2.318 -0.128 11.465 1.00 0.00 C ATOM 977 C ALA A 65 -3.466 -0.608 12.380 1.00 0.00 C ATOM 978 O ALA A 65 -4.278 -1.460 12.000 1.00 0.00 O ATOM 979 CB ALA A 65 -2.452 1.359 11.108 1.00 0.00 C ATOM 0 H ALA A 65 -2.647 -0.426 9.418 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.386 -0.261 12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.470 1.952 12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.605 1.664 10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.377 1.518 10.554 1.00 0.00 H new