USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 33 LYS NZ :NH3+ -134:sc= -1.06! (180deg=-6.63!) USER MOD Set 1.2: A 35 ASN : amide:sc= 1.12 K(o=0.061,f=-16!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.0605 (180deg=-0.414) USER MOD Single : A 5 SER OG : rot 19:sc= 0.563 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0708) USER MOD Single : A 24 CYS SG : rot 19:sc= 0.0898 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0996) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0139 (180deg=-0.154) USER MOD Single : A 30 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.218 K(o=-0.22,f=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.085 (180deg=-0.425) USER MOD Single : A 47 SER OG : rot -126:sc= 0.633 USER MOD Single : A 48 ASN : amide:sc= 0.744 K(o=0.74,f=-5.6!) USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00611 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -79:sc= 1.46 USER MOD Single : A 61 SER OG : rot 7:sc= 0.104 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.145 (180deg=-0.158) USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= 2.2 (180deg=-0.587) USER MOD Single : A 68 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -12.920 -4.000 10.221 1.00 0.00 N ATOM 2 CA LYS A 3 -13.238 -3.234 9.021 1.00 0.00 C ATOM 3 C LYS A 3 -12.315 -3.601 7.868 1.00 0.00 C ATOM 4 O LYS A 3 -11.109 -3.775 8.057 1.00 0.00 O ATOM 5 CB LYS A 3 -13.113 -1.735 9.289 1.00 0.00 C ATOM 6 CG LYS A 3 -14.122 -1.188 10.282 1.00 0.00 C ATOM 7 CD LYS A 3 -13.979 0.321 10.427 1.00 0.00 C ATOM 8 CE LYS A 3 -14.210 1.025 9.096 1.00 0.00 C ATOM 9 NZ LYS A 3 -13.922 2.481 9.174 1.00 0.00 N ATOM 0 HA LYS A 3 -14.265 -3.477 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.109 -1.527 9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.223 -1.200 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.132 -1.431 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.980 -1.666 11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.693 0.688 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.983 0.561 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.578 0.572 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.244 0.877 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.093 2.919 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.543 2.920 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.929 2.624 9.447 1.00 0.00 H new ATOM 23 N LYS A 4 -12.891 -3.726 6.682 1.00 0.00 N ATOM 24 CA LYS A 4 -12.107 -3.888 5.467 1.00 0.00 C ATOM 25 C LYS A 4 -11.804 -2.525 4.882 1.00 0.00 C ATOM 26 O LYS A 4 -12.398 -1.529 5.297 1.00 0.00 O ATOM 27 CB LYS A 4 -12.833 -4.765 4.437 1.00 0.00 C ATOM 28 CG LYS A 4 -12.727 -6.259 4.710 1.00 0.00 C ATOM 29 CD LYS A 4 -13.645 -6.711 5.836 1.00 0.00 C ATOM 30 CE LYS A 4 -15.106 -6.665 5.413 1.00 0.00 C ATOM 31 NZ LYS A 4 -15.384 -7.585 4.275 1.00 0.00 N ATOM 0 H LYS A 4 -13.900 -3.718 6.535 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.176 -4.393 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.886 -4.484 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.426 -4.557 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.973 -6.810 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.696 -6.507 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.383 -7.726 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.496 -6.073 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.738 -6.934 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.370 -5.646 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.405 -7.774 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.067 -7.145 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.874 -8.480 4.419 1.00 0.00 H new ATOM 45 N SER A 5 -10.888 -2.504 3.918 1.00 0.00 N ATOM 46 CA SER A 5 -10.400 -1.278 3.290 1.00 0.00 C ATOM 47 C SER A 5 -9.947 -0.264 4.328 1.00 0.00 C ATOM 48 O SER A 5 -10.731 0.507 4.882 1.00 0.00 O ATOM 49 CB SER A 5 -11.437 -0.710 2.333 1.00 0.00 C ATOM 50 OG SER A 5 -12.706 -0.549 2.944 1.00 0.00 O ATOM 0 H SER A 5 -10.457 -3.350 3.545 1.00 0.00 H new ATOM 0 HA SER A 5 -9.520 -1.525 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.092 0.254 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.533 -1.371 1.472 1.00 0.00 H new ATOM 0 HG SER A 5 -12.602 -0.548 3.918 1.00 0.00 H new ATOM 56 N ARG A 6 -8.654 -0.267 4.544 1.00 0.00 N ATOM 57 CA ARG A 6 -8.056 0.409 5.682 1.00 0.00 C ATOM 58 C ARG A 6 -7.304 1.663 5.257 1.00 0.00 C ATOM 59 O ARG A 6 -7.240 1.985 4.074 1.00 0.00 O ATOM 60 CB ARG A 6 -7.135 -0.573 6.399 1.00 0.00 C ATOM 61 CG ARG A 6 -5.888 -0.953 5.624 1.00 0.00 C ATOM 62 CD ARG A 6 -5.335 -2.275 6.121 1.00 0.00 C ATOM 63 NE ARG A 6 -6.212 -3.383 5.751 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.582 -4.373 6.566 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.243 -4.358 7.851 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.315 -5.375 6.088 1.00 0.00 N ATOM 0 H ARG A 6 -7.981 -0.737 3.938 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.843 0.737 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.835 -0.139 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.697 -1.479 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.121 -1.026 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.134 -0.173 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.342 -2.438 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.223 -2.242 7.205 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.569 -3.402 4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.694 -3.584 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.532 -5.121 8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.590 -5.383 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.602 -6.136 6.704 1.00 0.00 H new ATOM 80 N LEU A 7 -6.738 2.358 6.234 1.00 0.00 N ATOM 81 CA LEU A 7 -6.107 3.650 6.001 1.00 0.00 C ATOM 82 C LEU A 7 -4.631 3.477 5.631 1.00 0.00 C ATOM 83 O LEU A 7 -3.807 3.114 6.476 1.00 0.00 O ATOM 84 CB LEU A 7 -6.263 4.522 7.260 1.00 0.00 C ATOM 85 CG LEU A 7 -6.099 6.039 7.078 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.647 6.415 6.837 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.975 6.541 5.939 1.00 0.00 C ATOM 0 H LEU A 7 -6.703 2.045 7.204 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.596 4.144 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.251 4.335 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.533 4.188 7.997 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.420 6.519 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.567 7.495 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.044 6.102 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.287 5.918 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.844 7.617 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.689 6.042 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.020 6.324 6.161 1.00 0.00 H new ATOM 99 N TRP A 8 -4.318 3.737 4.367 1.00 0.00 N ATOM 100 CA TRP A 8 -2.947 3.679 3.866 1.00 0.00 C ATOM 101 C TRP A 8 -2.337 5.076 3.840 1.00 0.00 C ATOM 102 O TRP A 8 -3.060 6.067 3.727 1.00 0.00 O ATOM 103 CB TRP A 8 -2.914 3.101 2.446 1.00 0.00 C ATOM 104 CG TRP A 8 -3.396 1.689 2.345 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.665 1.239 2.554 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.617 0.544 1.988 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.722 -0.116 2.363 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.479 -0.567 2.010 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.273 0.349 1.652 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.043 -1.852 1.712 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.841 -0.927 1.353 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.724 -2.013 1.382 1.00 0.00 C ATOM 0 H TRP A 8 -5.006 3.994 3.659 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.373 3.036 4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.525 3.728 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.892 3.152 2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.504 1.860 2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.555 -0.695 2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.586 1.182 1.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.720 -2.693 1.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.194 -1.090 1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.357 -2.999 1.139 1.00 0.00 H new ATOM 123 N VAL A 9 -1.016 5.150 3.938 1.00 0.00 N ATOM 124 CA VAL A 9 -0.307 6.429 3.915 1.00 0.00 C ATOM 125 C VAL A 9 0.889 6.347 2.971 1.00 0.00 C ATOM 126 O VAL A 9 1.498 5.286 2.826 1.00 0.00 O ATOM 127 CB VAL A 9 0.206 6.821 5.323 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.787 8.230 5.327 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.898 6.698 6.356 1.00 0.00 C ATOM 0 H VAL A 9 -0.409 4.336 4.035 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.013 7.185 3.572 1.00 0.00 H new ATOM 0 HB VAL A 9 1.003 6.127 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.138 8.476 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.621 8.282 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.018 8.942 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.512 6.979 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.723 7.359 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.254 5.668 6.388 1.00 0.00 H new ATOM 139 N ASP A 10 1.219 7.452 2.312 1.00 0.00 N ATOM 140 CA ASP A 10 2.441 7.507 1.510 1.00 0.00 C ATOM 141 C ASP A 10 3.638 7.853 2.397 1.00 0.00 C ATOM 142 O ASP A 10 3.489 8.070 3.600 1.00 0.00 O ATOM 143 CB ASP A 10 2.321 8.524 0.377 1.00 0.00 C ATOM 144 CG ASP A 10 2.265 9.941 0.887 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.244 10.314 1.482 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.245 10.687 0.698 1.00 0.00 O ATOM 0 H ASP A 10 0.669 8.311 2.314 1.00 0.00 H new ATOM 0 HA ASP A 10 2.592 6.523 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.170 8.416 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.423 8.313 -0.204 1.00 0.00 H new ATOM 151 N ARG A 11 4.825 7.914 1.805 1.00 0.00 N ATOM 152 CA ARG A 11 6.049 8.118 2.574 1.00 0.00 C ATOM 153 C ARG A 11 6.249 9.599 2.901 1.00 0.00 C ATOM 154 O ARG A 11 6.915 9.949 3.876 1.00 0.00 O ATOM 155 CB ARG A 11 7.247 7.567 1.789 1.00 0.00 C ATOM 156 CG ARG A 11 8.361 6.996 2.662 1.00 0.00 C ATOM 157 CD ARG A 11 9.193 8.083 3.323 1.00 0.00 C ATOM 158 NE ARG A 11 9.898 8.900 2.341 1.00 0.00 N ATOM 159 CZ ARG A 11 10.628 9.970 2.641 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.721 10.389 3.896 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.253 10.630 1.675 1.00 0.00 N ATOM 0 H ARG A 11 4.967 7.826 0.799 1.00 0.00 H new ATOM 0 HA ARG A 11 5.965 7.580 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.896 6.788 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.659 8.364 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.926 6.357 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.009 6.366 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.546 8.719 3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.914 7.627 4.001 1.00 0.00 H new ATOM 0 HE ARG A 11 9.826 8.633 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.231 9.890 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.283 11.211 4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.172 10.316 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.814 11.452 1.899 1.00 0.00 H new ATOM 175 N SER A 12 5.650 10.466 2.102 1.00 0.00 N ATOM 176 CA SER A 12 5.818 11.899 2.275 1.00 0.00 C ATOM 177 C SER A 12 4.753 12.457 3.216 1.00 0.00 C ATOM 178 O SER A 12 4.986 13.441 3.924 1.00 0.00 O ATOM 179 CB SER A 12 5.756 12.600 0.910 1.00 0.00 C ATOM 180 OG SER A 12 5.936 14.003 1.027 1.00 0.00 O ATOM 0 H SER A 12 5.042 10.202 1.326 1.00 0.00 H new ATOM 0 HA SER A 12 6.794 12.087 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.524 12.189 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.794 12.395 0.440 1.00 0.00 H new ATOM 0 HG SER A 12 5.892 14.414 0.138 1.00 0.00 H new ATOM 186 N GLY A 13 3.591 11.814 3.230 1.00 0.00 N ATOM 187 CA GLY A 13 2.491 12.268 4.058 1.00 0.00 C ATOM 188 C GLY A 13 1.509 13.096 3.261 1.00 0.00 C ATOM 189 O GLY A 13 0.726 13.866 3.817 1.00 0.00 O ATOM 0 H GLY A 13 3.391 10.980 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.979 11.408 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.878 12.858 4.889 1.00 0.00 H new ATOM 193 N THR A 14 1.545 12.912 1.951 1.00 0.00 N ATOM 194 CA THR A 14 0.704 13.659 1.038 1.00 0.00 C ATOM 195 C THR A 14 -0.727 13.128 1.055 1.00 0.00 C ATOM 196 O THR A 14 -1.689 13.904 1.054 1.00 0.00 O ATOM 197 CB THR A 14 1.261 13.586 -0.402 1.00 0.00 C ATOM 198 OG1 THR A 14 2.585 14.140 -0.445 1.00 0.00 O ATOM 199 CG2 THR A 14 0.365 14.331 -1.382 1.00 0.00 C ATOM 0 H THR A 14 2.160 12.239 1.493 1.00 0.00 H new ATOM 0 HA THR A 14 0.700 14.698 1.369 1.00 0.00 H new ATOM 0 HB THR A 14 1.291 12.537 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.932 14.089 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.785 14.260 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.631 13.888 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.298 15.379 -1.090 1.00 0.00 H new ATOM 207 N PHE A 15 -0.875 11.810 1.099 1.00 0.00 N ATOM 208 CA PHE A 15 -2.192 11.214 0.998 1.00 0.00 C ATOM 209 C PHE A 15 -2.369 10.003 1.894 1.00 0.00 C ATOM 210 O PHE A 15 -1.534 9.099 1.939 1.00 0.00 O ATOM 211 CB PHE A 15 -2.531 10.858 -0.458 1.00 0.00 C ATOM 212 CG PHE A 15 -1.486 10.042 -1.175 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.468 10.668 -1.876 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.531 8.655 -1.164 1.00 0.00 C ATOM 215 CE1 PHE A 15 0.482 9.931 -2.553 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.580 7.913 -1.838 1.00 0.00 C ATOM 217 CZ PHE A 15 0.427 8.552 -2.534 1.00 0.00 C ATOM 0 H PHE A 15 -0.108 11.145 1.203 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.892 11.972 1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.472 10.308 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.693 11.782 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.417 11.747 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.318 8.150 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.268 10.433 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.624 6.834 -1.820 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.170 7.974 -3.063 1.00 0.00 H new ATOM 227 N LYS A 16 -3.469 10.021 2.627 1.00 0.00 N ATOM 228 CA LYS A 16 -3.920 8.866 3.368 1.00 0.00 C ATOM 229 C LYS A 16 -5.292 8.468 2.842 1.00 0.00 C ATOM 230 O LYS A 16 -6.183 9.312 2.725 1.00 0.00 O ATOM 231 CB LYS A 16 -3.997 9.176 4.863 1.00 0.00 C ATOM 232 CG LYS A 16 -2.698 9.715 5.447 1.00 0.00 C ATOM 233 CD LYS A 16 -2.765 9.821 6.963 1.00 0.00 C ATOM 234 CE LYS A 16 -3.826 10.806 7.419 1.00 0.00 C ATOM 235 NZ LYS A 16 -3.497 12.203 7.036 1.00 0.00 N ATOM 0 H LYS A 16 -4.071 10.839 2.722 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.213 8.047 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.790 9.904 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.276 8.269 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.873 9.062 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.488 10.697 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.977 8.839 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.793 10.131 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.787 10.529 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.935 10.744 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.175 12.854 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.534 12.433 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.551 12.301 6.002 1.00 0.00 H new ATOM 249 N VAL A 17 -5.466 7.198 2.533 1.00 0.00 N ATOM 250 CA VAL A 17 -6.692 6.739 1.888 1.00 0.00 C ATOM 251 C VAL A 17 -7.161 5.407 2.426 1.00 0.00 C ATOM 252 O VAL A 17 -6.374 4.599 2.906 1.00 0.00 O ATOM 253 CB VAL A 17 -6.541 6.607 0.359 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.890 7.914 -0.325 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.135 6.153 -0.013 1.00 0.00 C ATOM 0 H VAL A 17 -4.781 6.465 2.715 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.431 7.507 2.116 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.239 5.845 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.778 7.802 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.921 8.182 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.223 8.700 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.055 6.068 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.410 6.882 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.933 5.184 0.443 1.00 0.00 H new ATOM 265 N ASP A 18 -8.461 5.201 2.330 1.00 0.00 N ATOM 266 CA ASP A 18 -9.077 3.934 2.690 1.00 0.00 C ATOM 267 C ASP A 18 -9.128 3.033 1.479 1.00 0.00 C ATOM 268 O ASP A 18 -9.587 3.445 0.411 1.00 0.00 O ATOM 269 CB ASP A 18 -10.493 4.155 3.225 1.00 0.00 C ATOM 270 CG ASP A 18 -11.332 5.024 2.299 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.968 4.482 1.364 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.334 6.261 2.485 1.00 0.00 O ATOM 0 H ASP A 18 -9.121 5.906 2.001 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.479 3.466 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.983 3.191 3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.439 4.623 4.208 1.00 0.00 H new ATOM 277 N ALA A 19 -8.645 1.815 1.648 1.00 0.00 N ATOM 278 CA ALA A 19 -8.606 0.850 0.561 1.00 0.00 C ATOM 279 C ALA A 19 -8.035 -0.475 1.032 1.00 0.00 C ATOM 280 O ALA A 19 -7.379 -0.548 2.069 1.00 0.00 O ATOM 281 CB ALA A 19 -7.771 1.385 -0.594 1.00 0.00 C ATOM 0 H ALA A 19 -8.272 1.468 2.532 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.629 0.688 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.752 0.651 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.209 2.314 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.754 1.574 -0.251 1.00 0.00 H new ATOM 287 N GLU A 20 -8.326 -1.525 0.292 1.00 0.00 N ATOM 288 CA GLU A 20 -7.662 -2.793 0.498 1.00 0.00 C ATOM 289 C GLU A 20 -6.761 -3.092 -0.656 1.00 0.00 C ATOM 290 O GLU A 20 -7.066 -2.769 -1.806 1.00 0.00 O ATOM 291 CB GLU A 20 -8.647 -3.939 0.678 1.00 0.00 C ATOM 292 CG GLU A 20 -9.064 -4.108 2.114 1.00 0.00 C ATOM 293 CD GLU A 20 -7.949 -4.600 3.006 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.022 -3.814 3.279 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.004 -5.759 3.458 1.00 0.00 O ATOM 0 H GLU A 20 -9.018 -1.524 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.081 -2.705 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.529 -3.758 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.195 -4.864 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.429 -3.154 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.896 -4.810 2.163 1.00 0.00 H new ATOM 302 N PHE A 21 -5.654 -3.704 -0.339 1.00 0.00 N ATOM 303 CA PHE A 21 -4.705 -4.100 -1.366 1.00 0.00 C ATOM 304 C PHE A 21 -5.241 -5.315 -2.105 1.00 0.00 C ATOM 305 O PHE A 21 -5.519 -6.356 -1.505 1.00 0.00 O ATOM 306 CB PHE A 21 -3.293 -4.355 -0.800 1.00 0.00 C ATOM 307 CG PHE A 21 -2.487 -5.310 -1.642 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.731 -4.853 -2.712 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.512 -6.669 -1.384 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.019 -5.732 -3.495 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.805 -7.552 -2.171 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.060 -7.082 -3.228 1.00 0.00 C ATOM 0 H PHE A 21 -5.379 -3.943 0.614 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.597 -3.273 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.761 -3.407 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.379 -4.753 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.701 -3.796 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.094 -7.043 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.427 -5.363 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.836 -8.610 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.507 -7.772 -3.848 1.00 0.00 H new ATOM 322 N ILE A 22 -5.415 -5.158 -3.404 1.00 0.00 N ATOM 323 CA ILE A 22 -5.957 -6.218 -4.231 1.00 0.00 C ATOM 324 C ILE A 22 -4.832 -6.955 -4.938 1.00 0.00 C ATOM 325 O ILE A 22 -4.723 -8.179 -4.862 1.00 0.00 O ATOM 326 CB ILE A 22 -6.921 -5.666 -5.307 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.543 -4.339 -4.866 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.024 -6.673 -5.585 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.387 -3.689 -5.941 1.00 0.00 C ATOM 0 H ILE A 22 -5.187 -4.302 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.505 -6.891 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.344 -5.493 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.159 -4.510 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.749 -3.653 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.697 -6.275 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.585 -7.604 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.582 -6.863 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.798 -2.753 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.769 -3.488 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.202 -4.358 -6.218 1.00 0.00 H new ATOM 341 N GLY A 23 -3.994 -6.193 -5.617 1.00 0.00 N ATOM 342 CA GLY A 23 -2.920 -6.771 -6.390 1.00 0.00 C ATOM 343 C GLY A 23 -1.834 -5.764 -6.679 1.00 0.00 C ATOM 344 O GLY A 23 -2.114 -4.587 -6.916 1.00 0.00 O ATOM 0 H GLY A 23 -4.040 -5.174 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.497 -7.617 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.315 -7.159 -7.329 1.00 0.00 H new ATOM 348 N CYS A 24 -0.595 -6.215 -6.639 1.00 0.00 N ATOM 349 CA CYS A 24 0.538 -5.341 -6.876 1.00 0.00 C ATOM 350 C CYS A 24 1.047 -5.536 -8.300 1.00 0.00 C ATOM 351 O CYS A 24 1.016 -6.651 -8.827 1.00 0.00 O ATOM 352 CB CYS A 24 1.639 -5.632 -5.854 1.00 0.00 C ATOM 353 SG CYS A 24 2.413 -7.253 -6.040 1.00 0.00 S ATOM 0 H CYS A 24 -0.347 -7.185 -6.444 1.00 0.00 H new ATOM 0 HA CYS A 24 0.231 -4.302 -6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.408 -4.863 -5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.218 -5.556 -4.852 1.00 0.00 H new ATOM 0 HG CYS A 24 2.184 -7.709 -7.236 1.00 0.00 H new ATOM 359 N ALA A 25 1.497 -4.461 -8.931 1.00 0.00 N ATOM 360 CA ALA A 25 1.935 -4.529 -10.317 1.00 0.00 C ATOM 361 C ALA A 25 3.116 -3.602 -10.566 1.00 0.00 C ATOM 362 O ALA A 25 2.967 -2.381 -10.543 1.00 0.00 O ATOM 363 CB ALA A 25 0.784 -4.186 -11.254 1.00 0.00 C ATOM 0 H ALA A 25 1.568 -3.536 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 25 2.260 -5.550 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.127 -4.241 -12.287 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.031 -4.894 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.431 -3.177 -11.042 1.00 0.00 H new ATOM 369 N LYS A 26 4.288 -4.199 -10.771 1.00 0.00 N ATOM 370 CA LYS A 26 5.506 -3.463 -11.108 1.00 0.00 C ATOM 371 C LYS A 26 5.778 -2.353 -10.091 1.00 0.00 C ATOM 372 O LYS A 26 5.950 -1.189 -10.444 1.00 0.00 O ATOM 373 CB LYS A 26 5.410 -2.890 -12.532 1.00 0.00 C ATOM 374 CG LYS A 26 6.732 -2.359 -13.073 1.00 0.00 C ATOM 375 CD LYS A 26 7.797 -3.446 -13.120 1.00 0.00 C ATOM 376 CE LYS A 26 7.424 -4.561 -14.087 1.00 0.00 C ATOM 377 NZ LYS A 26 7.402 -4.090 -15.499 1.00 0.00 N ATOM 0 H LYS A 26 4.421 -5.208 -10.708 1.00 0.00 H new ATOM 0 HA LYS A 26 6.345 -4.158 -11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.040 -3.666 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.675 -2.085 -12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.580 -1.955 -14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.078 -1.537 -12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.750 -3.009 -13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.936 -3.862 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.137 -5.380 -13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.444 -4.958 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.312 -4.907 -16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.594 -3.451 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.285 -3.583 -15.709 1.00 0.00 H new ATOM 391 N GLY A 27 5.787 -2.723 -8.819 1.00 0.00 N ATOM 392 CA GLY A 27 6.097 -1.769 -7.774 1.00 0.00 C ATOM 393 C GLY A 27 4.897 -0.945 -7.344 1.00 0.00 C ATOM 394 O GLY A 27 4.983 -0.179 -6.390 1.00 0.00 O ATOM 0 H GLY A 27 5.585 -3.668 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.493 -2.302 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.883 -1.100 -8.123 1.00 0.00 H new ATOM 398 N LYS A 28 3.783 -1.083 -8.047 1.00 0.00 N ATOM 399 CA LYS A 28 2.576 -0.357 -7.682 1.00 0.00 C ATOM 400 C LYS A 28 1.599 -1.250 -6.943 1.00 0.00 C ATOM 401 O LYS A 28 1.676 -2.474 -7.021 1.00 0.00 O ATOM 402 CB LYS A 28 1.893 0.222 -8.911 1.00 0.00 C ATOM 403 CG LYS A 28 2.722 1.261 -9.624 1.00 0.00 C ATOM 404 CD LYS A 28 1.941 1.912 -10.747 1.00 0.00 C ATOM 405 CE LYS A 28 2.707 3.079 -11.344 1.00 0.00 C ATOM 406 NZ LYS A 28 4.049 2.672 -11.837 1.00 0.00 N ATOM 0 H LYS A 28 3.689 -1.685 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 28 2.880 0.457 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.663 -0.587 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.943 0.667 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.045 2.022 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.623 0.798 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.732 1.175 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.979 2.260 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.133 3.506 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.819 3.861 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.468 3.450 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.663 2.448 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.956 1.832 -12.444 1.00 0.00 H new ATOM 420 N ILE A 29 0.677 -0.621 -6.242 1.00 0.00 N ATOM 421 CA ILE A 29 -0.323 -1.327 -5.469 1.00 0.00 C ATOM 422 C ILE A 29 -1.723 -0.912 -5.912 1.00 0.00 C ATOM 423 O ILE A 29 -2.070 0.271 -5.873 1.00 0.00 O ATOM 424 CB ILE A 29 -0.140 -1.029 -3.967 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.219 -1.550 -3.495 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.264 -1.645 -3.149 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.656 -0.982 -2.167 1.00 0.00 C ATOM 0 H ILE A 29 0.601 0.395 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.202 -2.397 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.175 0.051 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.176 -2.637 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.971 -1.312 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.111 -1.420 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.219 -1.232 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.269 -2.725 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.627 -1.396 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.732 0.103 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.925 -1.242 -1.402 1.00 0.00 H new ATOM 439 N HIS A 30 -2.513 -1.879 -6.364 1.00 0.00 N ATOM 440 CA HIS A 30 -3.899 -1.611 -6.726 1.00 0.00 C ATOM 441 C HIS A 30 -4.766 -1.763 -5.492 1.00 0.00 C ATOM 442 O HIS A 30 -4.662 -2.757 -4.767 1.00 0.00 O ATOM 443 CB HIS A 30 -4.393 -2.550 -7.835 1.00 0.00 C ATOM 444 CG HIS A 30 -3.636 -2.424 -9.128 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.929 -3.170 -10.248 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.594 -1.632 -9.477 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.104 -2.844 -11.224 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.282 -1.911 -10.782 1.00 0.00 N ATOM 0 H HIS A 30 -2.220 -2.848 -6.488 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.964 -0.594 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.322 -3.579 -7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.448 -2.350 -8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.099 -0.912 -8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.102 -3.269 -12.217 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.538 -1.470 -11.322 1.00 0.00 H new ATOM 457 N LEU A 31 -5.617 -0.787 -5.259 1.00 0.00 N ATOM 458 CA LEU A 31 -6.361 -0.709 -4.019 1.00 0.00 C ATOM 459 C LEU A 31 -7.847 -0.523 -4.278 1.00 0.00 C ATOM 460 O LEU A 31 -8.252 0.228 -5.166 1.00 0.00 O ATOM 461 CB LEU A 31 -5.837 0.446 -3.164 1.00 0.00 C ATOM 462 CG LEU A 31 -4.389 0.311 -2.683 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.907 1.607 -2.057 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.267 -0.820 -1.680 1.00 0.00 C ATOM 0 H LEU A 31 -5.812 -0.032 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.222 -1.649 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.926 1.368 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.482 0.550 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.765 0.087 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.876 1.488 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.959 2.408 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.539 1.856 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.232 -0.902 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.908 -0.616 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.574 -1.756 -2.148 1.00 0.00 H new ATOM 476 N HIS A 32 -8.644 -1.224 -3.493 1.00 0.00 N ATOM 477 CA HIS A 32 -10.092 -1.120 -3.551 1.00 0.00 C ATOM 478 C HIS A 32 -10.587 -0.334 -2.341 1.00 0.00 C ATOM 479 O HIS A 32 -10.601 -0.846 -1.222 1.00 0.00 O ATOM 480 CB HIS A 32 -10.712 -2.525 -3.603 1.00 0.00 C ATOM 481 CG HIS A 32 -12.202 -2.557 -3.464 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.854 -3.415 -2.609 1.00 0.00 N ATOM 483 CD2 HIS A 32 -13.168 -1.848 -4.091 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.154 -3.238 -2.719 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.375 -2.292 -3.611 1.00 0.00 N ATOM 0 H HIS A 32 -8.305 -1.885 -2.794 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.395 -0.589 -4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.439 -2.993 -4.549 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.274 -3.130 -2.810 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -12.401 -4.084 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.018 -1.076 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.912 -3.777 -2.171 1.00 0.00 H new ATOM 494 N LYS A 33 -10.961 0.919 -2.575 1.00 0.00 N ATOM 495 CA LYS A 33 -11.349 1.830 -1.509 1.00 0.00 C ATOM 496 C LYS A 33 -12.626 1.405 -0.812 1.00 0.00 C ATOM 497 O LYS A 33 -13.373 0.554 -1.304 1.00 0.00 O ATOM 498 CB LYS A 33 -11.544 3.227 -2.067 1.00 0.00 C ATOM 499 CG LYS A 33 -10.319 3.785 -2.750 1.00 0.00 C ATOM 500 CD LYS A 33 -10.403 5.292 -2.900 1.00 0.00 C ATOM 501 CE LYS A 33 -10.375 5.981 -1.546 1.00 0.00 C ATOM 502 NZ LYS A 33 -11.685 5.933 -0.846 1.00 0.00 N ATOM 0 H LYS A 33 -11.003 1.329 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.543 1.814 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.370 3.213 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.833 3.895 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.430 3.525 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.208 3.326 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.571 5.646 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.319 5.557 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.617 5.510 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.078 7.021 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.910 6.874 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.426 5.645 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.637 5.246 -0.067 1.00 0.00 H new ATOM 516 N ALA A 34 -12.902 2.066 0.308 1.00 0.00 N ATOM 517 CA ALA A 34 -14.055 1.727 1.132 1.00 0.00 C ATOM 518 C ALA A 34 -15.339 2.148 0.440 1.00 0.00 C ATOM 519 O ALA A 34 -16.425 1.660 0.759 1.00 0.00 O ATOM 520 CB ALA A 34 -13.952 2.378 2.502 1.00 0.00 C ATOM 0 H ALA A 34 -12.342 2.840 0.665 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.070 0.646 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.824 2.110 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.049 2.030 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.909 3.461 2.388 1.00 0.00 H new ATOM 526 N ASN A 35 -15.201 3.047 -0.526 1.00 0.00 N ATOM 527 CA ASN A 35 -16.342 3.536 -1.280 1.00 0.00 C ATOM 528 C ASN A 35 -16.383 2.900 -2.663 1.00 0.00 C ATOM 529 O ASN A 35 -17.092 3.367 -3.554 1.00 0.00 O ATOM 530 CB ASN A 35 -16.314 5.069 -1.383 1.00 0.00 C ATOM 531 CG ASN A 35 -15.083 5.607 -2.089 1.00 0.00 C ATOM 532 OD1 ASN A 35 -14.020 4.986 -2.088 1.00 0.00 O ATOM 533 ND2 ASN A 35 -15.211 6.780 -2.683 1.00 0.00 N ATOM 0 H ASN A 35 -14.307 3.452 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.249 3.252 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -17.204 5.406 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.362 5.493 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.413 7.199 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.107 7.266 -2.664 1.00 0.00 H new ATOM 540 N GLY A 36 -15.611 1.831 -2.840 1.00 0.00 N ATOM 541 CA GLY A 36 -15.705 1.046 -4.057 1.00 0.00 C ATOM 542 C GLY A 36 -14.742 1.487 -5.140 1.00 0.00 C ATOM 543 O GLY A 36 -14.493 0.745 -6.091 1.00 0.00 O ATOM 0 H GLY A 36 -14.924 1.496 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.516 -0.001 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.723 1.107 -4.441 1.00 0.00 H new ATOM 547 N VAL A 37 -14.199 2.687 -4.999 1.00 0.00 N ATOM 548 CA VAL A 37 -13.287 3.236 -5.995 1.00 0.00 C ATOM 549 C VAL A 37 -12.002 2.416 -6.058 1.00 0.00 C ATOM 550 O VAL A 37 -11.482 1.985 -5.032 1.00 0.00 O ATOM 551 CB VAL A 37 -12.948 4.710 -5.691 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.026 5.294 -6.755 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.223 5.527 -5.584 1.00 0.00 C ATOM 0 H VAL A 37 -14.374 3.301 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.790 3.188 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.422 4.749 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.805 6.334 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.098 4.723 -6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.515 5.243 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.973 6.566 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.770 5.473 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.843 5.130 -4.781 1.00 0.00 H new ATOM 563 N LYS A 38 -11.511 2.189 -7.264 1.00 0.00 N ATOM 564 CA LYS A 38 -10.283 1.439 -7.458 1.00 0.00 C ATOM 565 C LYS A 38 -9.148 2.393 -7.801 1.00 0.00 C ATOM 566 O LYS A 38 -9.241 3.170 -8.753 1.00 0.00 O ATOM 567 CB LYS A 38 -10.471 0.420 -8.576 1.00 0.00 C ATOM 568 CG LYS A 38 -9.389 -0.642 -8.640 1.00 0.00 C ATOM 569 CD LYS A 38 -9.723 -1.681 -9.696 1.00 0.00 C ATOM 570 CE LYS A 38 -8.768 -2.859 -9.660 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.060 -3.834 -10.744 1.00 0.00 N ATOM 0 H LYS A 38 -11.946 2.515 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.034 0.910 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.437 -0.069 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.504 0.946 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.430 -0.178 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.286 -1.124 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.742 -2.036 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.690 -1.218 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.743 -2.501 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.840 -3.357 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.388 -4.626 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.029 -4.194 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.967 -3.365 -11.667 1.00 0.00 H new ATOM 585 N ILE A 39 -8.087 2.336 -7.019 1.00 0.00 N ATOM 586 CA ILE A 39 -6.957 3.235 -7.199 1.00 0.00 C ATOM 587 C ILE A 39 -5.659 2.450 -7.345 1.00 0.00 C ATOM 588 O ILE A 39 -5.589 1.278 -6.976 1.00 0.00 O ATOM 589 CB ILE A 39 -6.818 4.227 -6.017 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.586 3.474 -4.704 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.055 5.108 -5.909 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.354 4.381 -3.514 1.00 0.00 C ATOM 0 H ILE A 39 -7.981 1.675 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.147 3.803 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.954 4.864 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.449 2.839 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.725 2.815 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.938 5.798 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.180 5.674 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.933 4.484 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.197 3.776 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.474 4.998 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.224 5.022 -3.370 1.00 0.00 H new ATOM 604 N ALA A 40 -4.648 3.092 -7.903 1.00 0.00 N ATOM 605 CA ALA A 40 -3.327 2.496 -8.016 1.00 0.00 C ATOM 606 C ALA A 40 -2.268 3.480 -7.554 1.00 0.00 C ATOM 607 O ALA A 40 -2.168 4.588 -8.087 1.00 0.00 O ATOM 608 CB ALA A 40 -3.048 2.068 -9.447 1.00 0.00 C ATOM 0 H ALA A 40 -4.717 4.034 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.296 1.612 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.054 1.625 -9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.792 1.335 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.098 2.937 -10.103 1.00 0.00 H new ATOM 614 N VAL A 41 -1.494 3.089 -6.555 1.00 0.00 N ATOM 615 CA VAL A 41 -0.407 3.921 -6.063 1.00 0.00 C ATOM 616 C VAL A 41 0.913 3.194 -6.226 1.00 0.00 C ATOM 617 O VAL A 41 0.959 1.970 -6.176 1.00 0.00 O ATOM 618 CB VAL A 41 -0.583 4.311 -4.578 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.977 4.852 -4.314 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.266 3.145 -3.662 1.00 0.00 C ATOM 0 H VAL A 41 -1.598 2.199 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.418 4.837 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 41 0.129 5.107 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.071 5.118 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.146 5.737 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.716 4.091 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.399 3.451 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.936 2.315 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.766 2.830 -3.818 1.00 0.00 H new ATOM 630 N ALA A 42 1.975 3.936 -6.453 1.00 0.00 N ATOM 631 CA ALA A 42 3.298 3.348 -6.485 1.00 0.00 C ATOM 632 C ALA A 42 3.791 3.120 -5.065 1.00 0.00 C ATOM 633 O ALA A 42 3.848 4.054 -4.263 1.00 0.00 O ATOM 634 CB ALA A 42 4.261 4.230 -7.255 1.00 0.00 C ATOM 0 H ALA A 42 1.950 4.942 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 42 3.245 2.388 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.248 3.768 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.905 4.350 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.323 5.207 -6.775 1.00 0.00 H new ATOM 640 N ALA A 43 4.142 1.878 -4.764 1.00 0.00 N ATOM 641 CA ALA A 43 4.559 1.489 -3.416 1.00 0.00 C ATOM 642 C ALA A 43 5.888 2.124 -3.050 1.00 0.00 C ATOM 643 O ALA A 43 6.242 2.245 -1.881 1.00 0.00 O ATOM 644 CB ALA A 43 4.672 -0.024 -3.316 1.00 0.00 C ATOM 0 H ALA A 43 4.147 1.113 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 43 3.802 1.843 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.983 -0.300 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.704 -0.476 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.410 -0.382 -4.034 1.00 0.00 H new ATOM 650 N ASP A 44 6.606 2.541 -4.069 1.00 0.00 N ATOM 651 CA ASP A 44 7.943 3.098 -3.899 1.00 0.00 C ATOM 652 C ASP A 44 7.912 4.508 -3.329 1.00 0.00 C ATOM 653 O ASP A 44 8.941 5.028 -2.897 1.00 0.00 O ATOM 654 CB ASP A 44 8.709 3.102 -5.216 1.00 0.00 C ATOM 655 CG ASP A 44 7.968 3.804 -6.334 1.00 0.00 C ATOM 656 OD1 ASP A 44 8.145 5.028 -6.499 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.217 3.130 -7.066 1.00 0.00 O ATOM 0 H ASP A 44 6.288 2.507 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 44 8.455 2.453 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.673 3.588 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.913 2.073 -5.514 1.00 0.00 H new ATOM 662 N LYS A 45 6.749 5.137 -3.341 1.00 0.00 N ATOM 663 CA LYS A 45 6.606 6.440 -2.712 1.00 0.00 C ATOM 664 C LYS A 45 5.610 6.337 -1.571 1.00 0.00 C ATOM 665 O LYS A 45 5.076 7.333 -1.078 1.00 0.00 O ATOM 666 CB LYS A 45 6.215 7.523 -3.738 1.00 0.00 C ATOM 667 CG LYS A 45 5.046 7.168 -4.650 1.00 0.00 C ATOM 668 CD LYS A 45 3.705 7.323 -3.951 1.00 0.00 C ATOM 669 CE LYS A 45 2.547 7.147 -4.918 1.00 0.00 C ATOM 670 NZ LYS A 45 2.547 8.184 -5.983 1.00 0.00 N ATOM 0 H LYS A 45 5.900 4.773 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 45 7.567 6.750 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.969 8.438 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.084 7.743 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.069 7.806 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.157 6.140 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.625 6.589 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.647 8.308 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.603 6.159 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.606 7.191 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.603 8.237 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.790 9.107 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.248 7.935 -6.710 1.00 0.00 H new ATOM 684 N LEU A 46 5.393 5.104 -1.149 1.00 0.00 N ATOM 685 CA LEU A 46 4.429 4.800 -0.113 1.00 0.00 C ATOM 686 C LEU A 46 5.133 4.600 1.229 1.00 0.00 C ATOM 687 O LEU A 46 6.357 4.490 1.284 1.00 0.00 O ATOM 688 CB LEU A 46 3.686 3.538 -0.518 1.00 0.00 C ATOM 689 CG LEU A 46 2.301 3.350 0.078 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.368 4.475 -0.349 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.773 2.008 -0.370 1.00 0.00 C ATOM 0 H LEU A 46 5.881 4.287 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 46 3.728 5.626 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.595 3.529 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.297 2.678 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 46 2.358 3.379 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.383 4.317 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.769 5.429 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.283 4.485 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.778 1.851 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.719 1.983 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.441 1.220 -0.022 1.00 0.00 H new ATOM 703 N SER A 47 4.354 4.565 2.299 1.00 0.00 N ATOM 704 CA SER A 47 4.892 4.384 3.638 1.00 0.00 C ATOM 705 C SER A 47 5.489 2.990 3.805 1.00 0.00 C ATOM 706 O SER A 47 4.919 1.990 3.365 1.00 0.00 O ATOM 707 CB SER A 47 3.785 4.622 4.663 1.00 0.00 C ATOM 708 OG SER A 47 4.123 4.119 5.946 1.00 0.00 O ATOM 0 H SER A 47 3.339 4.660 2.265 1.00 0.00 H new ATOM 0 HA SER A 47 5.693 5.106 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.584 5.691 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.866 4.147 4.319 1.00 0.00 H new ATOM 0 HG SER A 47 3.415 3.518 6.259 1.00 0.00 H new ATOM 714 N ASN A 48 6.647 2.950 4.460 1.00 0.00 N ATOM 715 CA ASN A 48 7.383 1.712 4.696 1.00 0.00 C ATOM 716 C ASN A 48 6.536 0.721 5.471 1.00 0.00 C ATOM 717 O ASN A 48 6.617 -0.485 5.255 1.00 0.00 O ATOM 718 CB ASN A 48 8.632 1.985 5.520 1.00 0.00 C ATOM 719 CG ASN A 48 9.531 3.063 4.945 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.642 3.224 3.732 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.181 3.812 5.822 1.00 0.00 N ATOM 0 H ASN A 48 7.102 3.779 4.843 1.00 0.00 H new ATOM 0 HA ASN A 48 7.647 1.302 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.333 2.275 6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.203 1.061 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.801 4.555 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.062 3.647 6.821 1.00 0.00 H new ATOM 728 N GLU A 49 5.745 1.245 6.400 1.00 0.00 N ATOM 729 CA GLU A 49 4.915 0.445 7.251 1.00 0.00 C ATOM 730 C GLU A 49 3.853 -0.257 6.419 1.00 0.00 C ATOM 731 O GLU A 49 3.619 -1.463 6.550 1.00 0.00 O ATOM 732 CB GLU A 49 4.267 1.366 8.274 1.00 0.00 C ATOM 733 CG GLU A 49 5.219 2.391 8.879 1.00 0.00 C ATOM 734 CD GLU A 49 6.433 1.758 9.528 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.297 1.198 10.632 1.00 0.00 O ATOM 736 OE2 GLU A 49 7.531 1.834 8.943 1.00 0.00 O ATOM 0 H GLU A 49 5.671 2.247 6.574 1.00 0.00 H new ATOM 0 HA GLU A 49 5.506 -0.317 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.438 1.891 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.844 0.761 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.547 3.079 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.684 2.983 9.621 1.00 0.00 H new ATOM 743 N ASP A 50 3.241 0.518 5.541 1.00 0.00 N ATOM 744 CA ASP A 50 2.247 0.041 4.635 1.00 0.00 C ATOM 745 C ASP A 50 2.847 -1.008 3.714 1.00 0.00 C ATOM 746 O ASP A 50 2.202 -2.008 3.389 1.00 0.00 O ATOM 747 CB ASP A 50 1.724 1.237 3.855 1.00 0.00 C ATOM 748 CG ASP A 50 1.030 2.251 4.748 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.686 2.791 5.672 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.168 2.515 4.540 1.00 0.00 O ATOM 0 H ASP A 50 3.435 1.515 5.447 1.00 0.00 H new ATOM 0 HA ASP A 50 1.423 -0.433 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.552 1.720 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.027 0.893 3.091 1.00 0.00 H new ATOM 755 N LEU A 51 4.109 -0.801 3.334 1.00 0.00 N ATOM 756 CA LEU A 51 4.819 -1.764 2.517 1.00 0.00 C ATOM 757 C LEU A 51 5.031 -3.042 3.297 1.00 0.00 C ATOM 758 O LEU A 51 4.754 -4.121 2.799 1.00 0.00 O ATOM 759 CB LEU A 51 6.174 -1.197 2.064 1.00 0.00 C ATOM 760 CG LEU A 51 6.165 -0.343 0.789 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.755 0.095 0.433 1.00 0.00 C ATOM 762 CD2 LEU A 51 7.084 0.862 0.958 1.00 0.00 C ATOM 0 H LEU A 51 4.652 0.026 3.583 1.00 0.00 H new ATOM 0 HA LEU A 51 4.220 -1.976 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.581 -0.594 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.859 -2.031 1.912 1.00 0.00 H new ATOM 0 HG LEU A 51 6.538 -0.951 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.780 0.698 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.132 -0.784 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.340 0.685 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.070 1.461 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.739 1.468 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.101 0.520 1.152 1.00 0.00 H new ATOM 774 N ALA A 52 5.465 -2.908 4.545 1.00 0.00 N ATOM 775 CA ALA A 52 5.783 -4.062 5.374 1.00 0.00 C ATOM 776 C ALA A 52 4.546 -4.921 5.586 1.00 0.00 C ATOM 777 O ALA A 52 4.631 -6.137 5.771 1.00 0.00 O ATOM 778 CB ALA A 52 6.357 -3.615 6.709 1.00 0.00 C ATOM 0 H ALA A 52 5.605 -2.008 5.005 1.00 0.00 H new ATOM 0 HA ALA A 52 6.534 -4.661 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.589 -4.490 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.267 -3.039 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.627 -2.995 7.230 1.00 0.00 H new ATOM 784 N TYR A 53 3.400 -4.267 5.563 1.00 0.00 N ATOM 785 CA TYR A 53 2.122 -4.948 5.664 1.00 0.00 C ATOM 786 C TYR A 53 1.776 -5.679 4.357 1.00 0.00 C ATOM 787 O TYR A 53 1.462 -6.880 4.354 1.00 0.00 O ATOM 788 CB TYR A 53 1.061 -3.905 6.013 1.00 0.00 C ATOM 789 CG TYR A 53 -0.356 -4.354 5.770 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.949 -5.337 6.549 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.093 -3.798 4.737 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.242 -5.751 6.304 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.380 -4.205 4.481 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.952 -5.183 5.267 1.00 0.00 C ATOM 795 OH TYR A 53 -4.233 -5.604 5.005 1.00 0.00 O ATOM 0 H TYR A 53 3.328 -3.253 5.474 1.00 0.00 H new ATOM 0 HA TYR A 53 2.166 -5.709 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.168 -3.633 7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.249 -3.004 5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.391 -5.784 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.648 -3.030 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.695 -6.514 6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.940 -3.762 3.670 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.593 -5.103 4.244 1.00 0.00 H new ATOM 805 N VAL A 54 1.876 -4.975 3.240 1.00 0.00 N ATOM 806 CA VAL A 54 1.538 -5.569 1.959 1.00 0.00 C ATOM 807 C VAL A 54 2.580 -6.616 1.550 1.00 0.00 C ATOM 808 O VAL A 54 2.268 -7.555 0.818 1.00 0.00 O ATOM 809 CB VAL A 54 1.312 -4.496 0.869 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.467 -3.550 0.765 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.000 -5.125 -0.479 1.00 0.00 C ATOM 0 H VAL A 54 2.185 -4.004 3.195 1.00 0.00 H new ATOM 0 HA VAL A 54 0.587 -6.090 2.070 1.00 0.00 H new ATOM 0 HB VAL A 54 0.442 -3.915 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.265 -2.813 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.608 -3.041 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.371 -4.105 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.847 -4.340 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.833 -5.758 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.096 -5.729 -0.398 1.00 0.00 H new ATOM 821 N GLU A 55 3.814 -6.462 2.037 1.00 0.00 N ATOM 822 CA GLU A 55 4.813 -7.531 1.946 1.00 0.00 C ATOM 823 C GLU A 55 4.232 -8.829 2.486 1.00 0.00 C ATOM 824 O GLU A 55 4.445 -9.903 1.927 1.00 0.00 O ATOM 825 CB GLU A 55 6.069 -7.212 2.765 1.00 0.00 C ATOM 826 CG GLU A 55 6.836 -5.989 2.309 1.00 0.00 C ATOM 827 CD GLU A 55 8.184 -5.865 2.997 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.235 -5.342 4.127 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.201 -6.299 2.418 1.00 0.00 O ATOM 0 H GLU A 55 4.144 -5.613 2.496 1.00 0.00 H new ATOM 0 HA GLU A 55 5.083 -7.624 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.780 -7.074 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.735 -8.074 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.984 -6.037 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.244 -5.096 2.510 1.00 0.00 H new ATOM 836 N LYS A 56 3.478 -8.720 3.574 1.00 0.00 N ATOM 837 CA LYS A 56 2.920 -9.870 4.229 1.00 0.00 C ATOM 838 C LYS A 56 1.731 -10.403 3.432 1.00 0.00 C ATOM 839 O LYS A 56 1.521 -11.611 3.341 1.00 0.00 O ATOM 840 CB LYS A 56 2.522 -9.492 5.659 1.00 0.00 C ATOM 841 CG LYS A 56 1.807 -10.591 6.418 1.00 0.00 C ATOM 842 CD LYS A 56 2.730 -11.758 6.774 1.00 0.00 C ATOM 843 CE LYS A 56 2.863 -12.748 5.627 1.00 0.00 C ATOM 844 NZ LYS A 56 3.851 -13.819 5.904 1.00 0.00 N ATOM 0 H LYS A 56 3.244 -7.831 4.016 1.00 0.00 H new ATOM 0 HA LYS A 56 3.662 -10.667 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.419 -9.210 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.879 -8.613 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.381 -10.178 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.976 -10.960 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.715 -11.374 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.342 -12.272 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.891 -13.199 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.157 -12.213 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.901 -14.464 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.786 -13.395 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.560 -14.350 6.749 1.00 0.00 H new ATOM 858 N ILE A 57 0.959 -9.505 2.838 1.00 0.00 N ATOM 859 CA ILE A 57 -0.148 -9.930 1.979 1.00 0.00 C ATOM 860 C ILE A 57 0.369 -10.674 0.747 1.00 0.00 C ATOM 861 O ILE A 57 -0.197 -11.686 0.333 1.00 0.00 O ATOM 862 CB ILE A 57 -1.003 -8.742 1.491 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.376 -7.829 2.654 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.263 -9.248 0.790 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.150 -6.605 2.221 1.00 0.00 C ATOM 0 H ILE A 57 1.071 -8.495 2.929 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.766 -10.587 2.592 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.412 -8.166 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.970 -8.392 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.467 -7.514 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.857 -8.399 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.982 -9.860 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.851 -9.847 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.386 -5.996 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.549 -6.022 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.075 -6.913 1.733 1.00 0.00 H new ATOM 877 N THR A 58 1.462 -10.182 0.182 1.00 0.00 N ATOM 878 CA THR A 58 1.925 -10.658 -1.115 1.00 0.00 C ATOM 879 C THR A 58 2.902 -11.817 -1.000 1.00 0.00 C ATOM 880 O THR A 58 2.766 -12.830 -1.688 1.00 0.00 O ATOM 881 CB THR A 58 2.617 -9.532 -1.904 1.00 0.00 C ATOM 882 OG1 THR A 58 3.640 -8.932 -1.102 1.00 0.00 O ATOM 883 CG2 THR A 58 1.628 -8.473 -2.330 1.00 0.00 C ATOM 0 H THR A 58 2.044 -9.455 0.599 1.00 0.00 H new ATOM 0 HA THR A 58 1.032 -10.999 -1.638 1.00 0.00 H new ATOM 0 HB THR A 58 3.058 -9.972 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.232 -8.312 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.148 -7.692 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.865 -8.923 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.157 -8.039 -1.448 1.00 0.00 H new ATOM 891 N GLY A 59 3.881 -11.666 -0.125 1.00 0.00 N ATOM 892 CA GLY A 59 4.977 -12.604 -0.072 1.00 0.00 C ATOM 893 C GLY A 59 6.205 -12.024 -0.743 1.00 0.00 C ATOM 894 O GLY A 59 7.281 -12.629 -0.736 1.00 0.00 O ATOM 0 H GLY A 59 3.935 -10.906 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.204 -12.849 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.692 -13.534 -0.564 1.00 0.00 H new ATOM 898 N PHE A 60 6.032 -10.840 -1.329 1.00 0.00 N ATOM 899 CA PHE A 60 7.124 -10.113 -1.950 1.00 0.00 C ATOM 900 C PHE A 60 7.670 -9.114 -0.949 1.00 0.00 C ATOM 901 O PHE A 60 7.008 -8.799 0.038 1.00 0.00 O ATOM 902 CB PHE A 60 6.642 -9.380 -3.209 1.00 0.00 C ATOM 903 CG PHE A 60 6.039 -10.280 -4.253 1.00 0.00 C ATOM 904 CD1 PHE A 60 6.842 -11.098 -5.029 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.668 -10.305 -4.455 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.291 -11.925 -5.989 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.112 -11.130 -5.412 1.00 0.00 C ATOM 908 CZ PHE A 60 4.923 -11.942 -6.180 1.00 0.00 C ATOM 0 H PHE A 60 5.132 -10.364 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 60 7.904 -10.815 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.904 -8.632 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.483 -8.845 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.912 -11.090 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.028 -9.673 -3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.929 -12.557 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.042 -11.140 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.489 -12.589 -6.928 1.00 0.00 H new ATOM 918 N SER A 61 8.867 -8.621 -1.184 1.00 0.00 N ATOM 919 CA SER A 61 9.466 -7.683 -0.264 1.00 0.00 C ATOM 920 C SER A 61 9.552 -6.298 -0.886 1.00 0.00 C ATOM 921 O SER A 61 10.243 -6.088 -1.887 1.00 0.00 O ATOM 922 CB SER A 61 10.851 -8.157 0.176 1.00 0.00 C ATOM 923 OG SER A 61 11.325 -7.372 1.253 1.00 0.00 O ATOM 0 H SER A 61 9.439 -8.852 -1.997 1.00 0.00 H new ATOM 0 HA SER A 61 8.829 -7.626 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.805 -9.204 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.546 -8.094 -0.661 1.00 0.00 H new ATOM 0 HG SER A 61 10.618 -6.762 1.549 1.00 0.00 H new ATOM 929 N LEU A 62 8.852 -5.352 -0.278 1.00 0.00 N ATOM 930 CA LEU A 62 8.869 -3.975 -0.741 1.00 0.00 C ATOM 931 C LEU A 62 9.962 -3.208 -0.017 1.00 0.00 C ATOM 932 O LEU A 62 9.978 -1.980 -0.010 1.00 0.00 O ATOM 933 CB LEU A 62 7.507 -3.297 -0.534 1.00 0.00 C ATOM 934 CG LEU A 62 6.313 -4.054 -1.125 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.059 -3.211 -1.040 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.577 -4.452 -2.566 1.00 0.00 C ATOM 0 H LEU A 62 8.264 -5.515 0.539 1.00 0.00 H new ATOM 0 HA LEU A 62 9.075 -3.974 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.342 -3.165 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.542 -2.301 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 62 6.170 -4.963 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.220 -3.763 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.849 -2.976 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.204 -2.286 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.713 -4.988 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.753 -3.558 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.455 -5.097 -2.610 1.00 0.00 H new ATOM 948 N GLU A 63 10.884 -3.958 0.575 1.00 0.00 N ATOM 949 CA GLU A 63 12.018 -3.405 1.283 1.00 0.00 C ATOM 950 C GLU A 63 12.819 -2.489 0.362 1.00 0.00 C ATOM 951 O GLU A 63 13.249 -1.410 0.756 1.00 0.00 O ATOM 952 CB GLU A 63 12.884 -4.561 1.768 1.00 0.00 C ATOM 953 CG GLU A 63 13.017 -4.656 3.279 1.00 0.00 C ATOM 954 CD GLU A 63 13.809 -3.512 3.869 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.213 -2.457 4.157 1.00 0.00 O ATOM 956 OE2 GLU A 63 15.034 -3.661 4.046 1.00 0.00 O ATOM 0 H GLU A 63 10.859 -4.978 0.573 1.00 0.00 H new ATOM 0 HA GLU A 63 11.679 -2.812 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.465 -5.495 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.879 -4.461 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.023 -4.673 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.500 -5.598 3.538 1.00 0.00 H new ATOM 963 N LYS A 64 12.975 -2.932 -0.882 1.00 0.00 N ATOM 964 CA LYS A 64 13.685 -2.172 -1.909 1.00 0.00 C ATOM 965 C LYS A 64 13.026 -0.815 -2.170 1.00 0.00 C ATOM 966 O LYS A 64 13.653 0.096 -2.712 1.00 0.00 O ATOM 967 CB LYS A 64 13.737 -2.982 -3.207 1.00 0.00 C ATOM 968 CG LYS A 64 12.362 -3.373 -3.738 1.00 0.00 C ATOM 969 CD LYS A 64 12.459 -4.167 -5.033 1.00 0.00 C ATOM 970 CE LYS A 64 13.136 -5.515 -4.826 1.00 0.00 C ATOM 971 NZ LYS A 64 12.356 -6.399 -3.917 1.00 0.00 N ATOM 0 H LYS A 64 12.613 -3.828 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 64 14.696 -1.986 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.259 -2.401 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.323 -3.886 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.838 -3.965 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.769 -2.474 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.459 -4.322 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.017 -3.591 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.263 -6.008 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.133 -5.360 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.922 -6.614 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.479 -5.918 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.121 -7.284 -4.410 1.00 0.00 H new ATOM 985 N PHE A 65 11.761 -0.686 -1.797 1.00 0.00 N ATOM 986 CA PHE A 65 11.032 0.560 -1.993 1.00 0.00 C ATOM 987 C PHE A 65 11.002 1.365 -0.700 1.00 0.00 C ATOM 988 O PHE A 65 10.737 2.568 -0.711 1.00 0.00 O ATOM 989 CB PHE A 65 9.602 0.280 -2.464 1.00 0.00 C ATOM 990 CG PHE A 65 9.526 -0.511 -3.738 1.00 0.00 C ATOM 991 CD1 PHE A 65 10.056 -0.009 -4.915 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.917 -1.755 -3.759 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.980 -0.732 -6.088 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.839 -2.483 -4.930 1.00 0.00 C ATOM 995 CZ PHE A 65 9.372 -1.971 -6.096 1.00 0.00 C ATOM 0 H PHE A 65 11.218 -1.429 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 65 11.546 1.139 -2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.071 -0.260 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.084 1.229 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.534 0.959 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.499 -2.160 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.396 -0.328 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.362 -3.452 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.313 -2.539 -7.013 1.00 0.00 H new ATOM 1005 N LYS A 66 11.300 0.698 0.406 1.00 0.00 N ATOM 1006 CA LYS A 66 11.234 1.323 1.718 1.00 0.00 C ATOM 1007 C LYS A 66 12.423 2.247 1.934 1.00 0.00 C ATOM 1008 O LYS A 66 13.532 1.969 1.475 1.00 0.00 O ATOM 1009 CB LYS A 66 11.176 0.249 2.812 1.00 0.00 C ATOM 1010 CG LYS A 66 9.873 -0.539 2.798 1.00 0.00 C ATOM 1011 CD LYS A 66 9.943 -1.834 3.600 1.00 0.00 C ATOM 1012 CE LYS A 66 9.994 -1.606 5.106 1.00 0.00 C ATOM 1013 NZ LYS A 66 11.373 -1.362 5.606 1.00 0.00 N ATOM 0 H LYS A 66 11.591 -0.280 0.420 1.00 0.00 H new ATOM 0 HA LYS A 66 10.326 1.924 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.012 -0.438 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.298 0.722 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.074 0.086 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.609 -0.772 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.075 -2.449 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.825 -2.396 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.364 -0.754 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.577 -2.475 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.517 -1.881 6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.062 -1.689 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.506 -0.344 5.774 1.00 0.00 H new ATOM 1027 N ALA A 67 12.177 3.352 2.621 1.00 0.00 N ATOM 1028 CA ALA A 67 13.212 4.347 2.880 1.00 0.00 C ATOM 1029 C ALA A 67 13.868 4.103 4.229 1.00 0.00 C ATOM 1030 O ALA A 67 14.675 4.900 4.706 1.00 0.00 O ATOM 1031 CB ALA A 67 12.622 5.747 2.812 1.00 0.00 C ATOM 0 H ALA A 67 11.264 3.585 3.012 1.00 0.00 H new ATOM 0 HA ALA A 67 13.980 4.257 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.404 6.481 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.203 5.918 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.836 5.847 3.560 1.00 0.00 H new ATOM 1037 N ASN A 68 13.508 2.985 4.823 1.00 0.00 N ATOM 1038 CA ASN A 68 14.036 2.570 6.114 1.00 0.00 C ATOM 1039 C ASN A 68 13.718 1.104 6.317 1.00 0.00 C ATOM 1040 O ASN A 68 12.525 0.784 6.485 1.00 0.00 O ATOM 1041 CB ASN A 68 13.429 3.394 7.256 1.00 0.00 C ATOM 1042 CG ASN A 68 14.157 3.220 8.588 1.00 0.00 C ATOM 1043 OD1 ASN A 68 14.170 4.132 9.415 1.00 0.00 O ATOM 1044 ND2 ASN A 68 14.770 2.062 8.812 1.00 0.00 N ATOM 1045 OXT ASN A 68 14.653 0.283 6.295 1.00 0.00 O ATOM 0 H ASN A 68 12.835 2.330 4.424 1.00 0.00 H new ATOM 0 HA ASN A 68 15.114 2.732 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.442 4.448 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.384 3.110 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.269 1.910 9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.741 1.325 8.107 1.00 0.00 H new TER 1052 ASN A 68