USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 557 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 13 THR OG1 : rot 145:sc= 0.814 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -175:sc= 0.932 (180deg=0.0396) USER MOD Set 1.3: A 81 SER OG : rot -177:sc= 0.0353 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.196 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 93:sc= 0.351 USER MOD Single : A 17 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc= -2.65 K(o=-2.7,f=-3.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0.56 (180deg=0.00655) USER MOD Single : A 29 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.2) USER MOD Single : A 31 MET CE :methyl -117:sc= -0.029 (180deg=-0.183) USER MOD Single : A 33 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -110:sc= 0.512 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -3.12! F(o=-3.6,f=-3.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 118:sc= -3.15 USER MOD Single : A 50 TYR OH : rot -141:sc= 0.98 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 55 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.51) USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 20.707 -5.106 -7.011 1.00 0.00 N ATOM 18 CA LYS A 2 19.562 -5.199 -6.060 1.00 0.00 C ATOM 19 C LYS A 2 19.396 -3.878 -5.303 1.00 0.00 C ATOM 20 O LYS A 2 19.362 -3.847 -4.089 1.00 0.00 O ATOM 21 CB LYS A 2 19.938 -6.324 -5.097 1.00 0.00 C ATOM 22 CG LYS A 2 20.345 -7.566 -5.894 1.00 0.00 C ATOM 23 CD LYS A 2 19.293 -8.661 -5.705 1.00 0.00 C ATOM 24 CE LYS A 2 19.959 -9.920 -5.143 1.00 0.00 C ATOM 25 NZ LYS A 2 19.457 -11.033 -5.995 1.00 0.00 N ATOM 0 HA LYS A 2 18.618 -5.396 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.759 -6.007 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.095 -6.557 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.441 -7.318 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.320 -7.922 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.512 -8.316 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.812 -8.886 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.046 -9.846 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.694 -10.073 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.870 -11.931 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.421 -11.083 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.730 -10.863 -6.984 1.00 0.00 H new ATOM 39 N ALA A 3 19.293 -2.788 -6.011 1.00 0.00 N ATOM 40 CA ALA A 3 19.129 -1.470 -5.332 1.00 0.00 C ATOM 41 C ALA A 3 17.772 -1.403 -4.626 1.00 0.00 C ATOM 42 O ALA A 3 16.801 -1.984 -5.071 1.00 0.00 O ATOM 43 CB ALA A 3 19.200 -0.434 -6.455 1.00 0.00 C ATOM 0 H ALA A 3 19.315 -2.752 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 3 19.891 -1.300 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.087 0.566 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.163 -0.509 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.400 -0.619 -7.172 1.00 0.00 H new ATOM 49 N SER A 4 17.695 -0.700 -3.529 1.00 0.00 N ATOM 50 CA SER A 4 16.398 -0.597 -2.799 1.00 0.00 C ATOM 51 C SER A 4 15.350 0.079 -3.686 1.00 0.00 C ATOM 52 O SER A 4 15.488 0.137 -4.891 1.00 0.00 O ATOM 53 CB SER A 4 16.693 0.264 -1.567 1.00 0.00 C ATOM 54 OG SER A 4 18.045 0.702 -1.605 1.00 0.00 O ATOM 0 H SER A 4 18.473 -0.193 -3.107 1.00 0.00 H new ATOM 0 HA SER A 4 16.004 -1.575 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.022 1.123 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.511 -0.309 -0.658 1.00 0.00 H new ATOM 0 HG SER A 4 18.232 1.254 -0.817 1.00 0.00 H new ATOM 60 N CYS A 5 14.304 0.593 -3.098 1.00 0.00 N ATOM 61 CA CYS A 5 13.249 1.266 -3.908 1.00 0.00 C ATOM 62 C CYS A 5 13.076 2.719 -3.456 1.00 0.00 C ATOM 63 O CYS A 5 13.982 3.326 -2.919 1.00 0.00 O ATOM 64 CB CYS A 5 11.971 0.473 -3.639 1.00 0.00 C ATOM 65 SG CYS A 5 12.286 -1.295 -3.868 1.00 0.00 S ATOM 0 H CYS A 5 14.135 0.576 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 5 13.502 1.289 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.623 0.661 -2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.180 0.801 -4.313 1.00 0.00 H new ATOM 70 N LYS A 6 11.916 3.278 -3.665 1.00 0.00 N ATOM 71 CA LYS A 6 11.676 4.689 -3.248 1.00 0.00 C ATOM 72 C LYS A 6 10.218 4.865 -2.813 1.00 0.00 C ATOM 73 O LYS A 6 9.319 4.905 -3.630 1.00 0.00 O ATOM 74 CB LYS A 6 11.971 5.531 -4.490 1.00 0.00 C ATOM 75 CG LYS A 6 11.270 4.915 -5.703 1.00 0.00 C ATOM 76 CD LYS A 6 10.481 5.998 -6.441 1.00 0.00 C ATOM 77 CE LYS A 6 10.613 5.789 -7.951 1.00 0.00 C ATOM 78 NZ LYS A 6 9.277 5.301 -8.390 1.00 0.00 N ATOM 0 H LYS A 6 11.121 2.817 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 6 12.301 4.982 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.627 6.554 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.046 5.578 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.004 4.466 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.600 4.117 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.432 5.961 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.854 6.985 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.880 6.717 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.394 5.064 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.288 5.135 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.053 4.413 -7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.555 6.014 -8.163 1.00 0.00 H new ATOM 92 N LEU A 7 9.978 4.963 -1.532 1.00 0.00 N ATOM 93 CA LEU A 7 8.578 5.131 -1.041 1.00 0.00 C ATOM 94 C LEU A 7 7.800 6.095 -1.950 1.00 0.00 C ATOM 95 O LEU A 7 7.961 7.295 -1.852 1.00 0.00 O ATOM 96 CB LEU A 7 8.726 5.720 0.362 1.00 0.00 C ATOM 97 CG LEU A 7 9.556 7.001 0.292 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.729 8.174 0.821 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.814 6.837 1.147 1.00 0.00 C ATOM 0 H LEU A 7 10.691 4.934 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 7 8.026 4.191 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.744 5.933 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.207 4.998 1.022 1.00 0.00 H new ATOM 0 HG LEU A 7 9.841 7.195 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.321 9.088 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.831 8.289 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.445 7.982 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.408 7.750 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.528 6.644 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.403 6.000 0.771 1.00 0.00 H new ATOM 111 N PRO A 8 6.977 5.539 -2.809 1.00 0.00 N ATOM 112 CA PRO A 8 6.171 6.366 -3.742 1.00 0.00 C ATOM 113 C PRO A 8 5.272 7.338 -2.969 1.00 0.00 C ATOM 114 O PRO A 8 5.207 8.511 -3.273 1.00 0.00 O ATOM 115 CB PRO A 8 5.338 5.319 -4.488 1.00 0.00 C ATOM 116 CG PRO A 8 5.704 3.921 -3.952 1.00 0.00 C ATOM 117 CD PRO A 8 6.806 4.069 -2.896 1.00 0.00 C ATOM 0 HA PRO A 8 6.773 6.988 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.275 5.511 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.532 5.375 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.827 3.442 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.045 3.282 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.511 3.638 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.727 3.571 -3.199 1.00 0.00 H new ATOM 125 N VAL A 9 4.578 6.858 -1.973 1.00 0.00 N ATOM 126 CA VAL A 9 3.685 7.758 -1.186 1.00 0.00 C ATOM 127 C VAL A 9 4.219 7.911 0.241 1.00 0.00 C ATOM 128 O VAL A 9 4.959 7.079 0.729 1.00 0.00 O ATOM 129 CB VAL A 9 2.323 7.062 -1.176 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.241 8.055 -0.748 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.003 6.542 -2.580 1.00 0.00 C ATOM 0 H VAL A 9 4.590 5.884 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 9 3.626 8.758 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 9 2.351 6.229 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.272 7.557 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.464 8.427 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.215 8.890 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.032 6.046 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.978 7.377 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.770 5.832 -2.889 1.00 0.00 H new ATOM 141 N LYS A 10 3.854 8.968 0.912 1.00 0.00 N ATOM 142 CA LYS A 10 4.344 9.170 2.307 1.00 0.00 C ATOM 143 C LYS A 10 3.349 8.576 3.307 1.00 0.00 C ATOM 144 O LYS A 10 3.444 8.800 4.498 1.00 0.00 O ATOM 145 CB LYS A 10 4.441 10.688 2.480 1.00 0.00 C ATOM 146 CG LYS A 10 3.039 11.281 2.633 1.00 0.00 C ATOM 147 CD LYS A 10 2.966 12.616 1.892 1.00 0.00 C ATOM 148 CE LYS A 10 2.332 12.403 0.516 1.00 0.00 C ATOM 149 NZ LYS A 10 2.524 13.696 -0.199 1.00 0.00 N ATOM 0 H LYS A 10 3.239 9.700 0.557 1.00 0.00 H new ATOM 0 HA LYS A 10 5.302 8.680 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.044 10.926 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.941 11.130 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.295 10.591 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.807 11.426 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.379 13.332 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.965 13.038 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.811 11.582 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.275 12.153 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.115 13.629 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.051 14.458 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.540 13.905 -0.272 1.00 0.00 H new ATOM 163 N LYS A 11 2.395 7.823 2.833 1.00 0.00 N ATOM 164 CA LYS A 11 1.394 7.218 3.758 1.00 0.00 C ATOM 165 C LYS A 11 0.813 5.940 3.145 1.00 0.00 C ATOM 166 O LYS A 11 -0.373 5.689 3.219 1.00 0.00 O ATOM 167 CB LYS A 11 0.311 8.285 3.913 1.00 0.00 C ATOM 168 CG LYS A 11 0.667 9.206 5.080 1.00 0.00 C ATOM 169 CD LYS A 11 -0.613 9.651 5.791 1.00 0.00 C ATOM 170 CE LYS A 11 -0.276 10.726 6.825 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.573 11.397 7.117 1.00 0.00 N ATOM 0 H LYS A 11 2.265 7.600 1.846 1.00 0.00 H new ATOM 0 HA LYS A 11 1.829 6.937 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.221 8.863 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.656 7.814 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.322 8.687 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.214 10.076 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.328 10.040 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.086 8.798 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.153 10.287 7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.456 11.433 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.424 12.149 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.954 11.811 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.247 10.700 7.493 1.00 0.00 H new ATOM 185 N ALA A 12 1.643 5.134 2.541 1.00 0.00 N ATOM 186 CA ALA A 12 1.139 3.873 1.922 1.00 0.00 C ATOM 187 C ALA A 12 1.177 2.732 2.944 1.00 0.00 C ATOM 188 O ALA A 12 2.221 2.373 3.449 1.00 0.00 O ATOM 189 CB ALA A 12 2.101 3.590 0.767 1.00 0.00 C ATOM 0 H ALA A 12 2.646 5.293 2.449 1.00 0.00 H new ATOM 0 HA ALA A 12 0.107 3.961 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.799 2.675 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.079 4.422 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.112 3.472 1.156 1.00 0.00 H new ATOM 195 N THR A 13 0.045 2.161 3.252 1.00 0.00 N ATOM 196 CA THR A 13 0.019 1.044 4.243 1.00 0.00 C ATOM 197 C THR A 13 -0.062 -0.303 3.521 1.00 0.00 C ATOM 198 O THR A 13 -1.000 -0.576 2.798 1.00 0.00 O ATOM 199 CB THR A 13 -1.241 1.283 5.076 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.649 2.637 4.939 1.00 0.00 O ATOM 201 CG2 THR A 13 -0.947 0.983 6.545 1.00 0.00 C ATOM 0 H THR A 13 -0.862 2.418 2.862 1.00 0.00 H new ATOM 0 HA THR A 13 0.917 1.019 4.860 1.00 0.00 H new ATOM 0 HB THR A 13 -2.038 0.627 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.628 2.686 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.845 1.154 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.636 -0.056 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.150 1.638 6.898 1.00 0.00 H new ATOM 209 N VAL A 14 0.915 -1.148 3.710 1.00 0.00 N ATOM 210 CA VAL A 14 0.893 -2.477 3.032 1.00 0.00 C ATOM 211 C VAL A 14 1.038 -3.601 4.061 1.00 0.00 C ATOM 212 O VAL A 14 1.076 -3.366 5.253 1.00 0.00 O ATOM 213 CB VAL A 14 2.093 -2.459 2.086 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.029 -1.212 1.203 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.385 -2.439 2.904 1.00 0.00 C ATOM 0 H VAL A 14 1.727 -0.977 4.304 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.043 -2.653 2.501 1.00 0.00 H new ATOM 0 HB VAL A 14 2.074 -3.349 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.885 -1.200 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.108 -1.226 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.048 -0.321 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.242 -2.426 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.404 -1.549 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.431 -3.328 3.533 1.00 0.00 H new ATOM 225 N VAL A 15 1.122 -4.820 3.606 1.00 0.00 N ATOM 226 CA VAL A 15 1.266 -5.963 4.552 1.00 0.00 C ATOM 227 C VAL A 15 2.519 -6.775 4.214 1.00 0.00 C ATOM 228 O VAL A 15 2.485 -7.673 3.396 1.00 0.00 O ATOM 229 CB VAL A 15 0.008 -6.806 4.344 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.066 -7.885 5.426 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.228 -5.908 4.438 1.00 0.00 C ATOM 0 H VAL A 15 1.097 -5.075 2.619 1.00 0.00 H new ATOM 0 HA VAL A 15 1.371 -5.634 5.586 1.00 0.00 H new ATOM 0 HB VAL A 15 0.044 -7.276 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.963 -8.487 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.815 -8.524 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.103 -7.414 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.126 -6.508 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.263 -5.439 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.176 -5.136 3.670 1.00 0.00 H new ATOM 241 N TYR A 16 3.624 -6.471 4.838 1.00 0.00 N ATOM 242 CA TYR A 16 4.875 -7.229 4.550 1.00 0.00 C ATOM 243 C TYR A 16 5.094 -8.304 5.619 1.00 0.00 C ATOM 244 O TYR A 16 4.966 -8.053 6.800 1.00 0.00 O ATOM 245 CB TYR A 16 5.990 -6.182 4.598 1.00 0.00 C ATOM 246 CG TYR A 16 7.311 -6.823 4.236 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.352 -7.894 3.335 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.497 -6.342 4.804 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.579 -8.482 3.002 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.723 -6.930 4.471 1.00 0.00 C ATOM 251 CZ TYR A 16 9.764 -8.000 3.570 1.00 0.00 C ATOM 252 OH TYR A 16 10.972 -8.579 3.242 1.00 0.00 O ATOM 0 H TYR A 16 3.715 -5.731 5.534 1.00 0.00 H new ATOM 0 HA TYR A 16 4.841 -7.741 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.768 -5.369 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.048 -5.745 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.438 -8.267 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.466 -5.517 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.611 -9.308 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.637 -6.558 4.909 1.00 0.00 H new ATOM 0 HH TYR A 16 11.378 -8.088 2.497 1.00 0.00 H new ATOM 262 N GLN A 17 5.419 -9.500 5.213 1.00 0.00 N ATOM 263 CA GLN A 17 5.642 -10.589 6.204 1.00 0.00 C ATOM 264 C GLN A 17 4.418 -10.735 7.112 1.00 0.00 C ATOM 265 O GLN A 17 4.538 -10.935 8.304 1.00 0.00 O ATOM 266 CB GLN A 17 6.860 -10.143 7.010 1.00 0.00 C ATOM 267 CG GLN A 17 8.137 -10.548 6.271 1.00 0.00 C ATOM 268 CD GLN A 17 8.429 -12.027 6.529 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.164 -12.533 7.601 1.00 0.00 O ATOM 270 NE2 GLN A 17 8.968 -12.747 5.583 1.00 0.00 N ATOM 0 H GLN A 17 5.540 -9.770 4.237 1.00 0.00 H new ATOM 0 HA GLN A 17 5.800 -11.557 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.838 -9.063 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.840 -10.598 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.023 -10.370 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.974 -9.937 6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.191 -12.322 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.167 -13.734 5.744 1.00 0.00 H new ATOM 279 N GLY A 18 3.241 -10.637 6.557 1.00 0.00 N ATOM 280 CA GLY A 18 2.011 -10.773 7.386 1.00 0.00 C ATOM 281 C GLY A 18 1.977 -9.665 8.442 1.00 0.00 C ATOM 282 O GLY A 18 1.486 -9.853 9.537 1.00 0.00 O ATOM 0 H GLY A 18 3.078 -10.468 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.126 -10.713 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.992 -11.750 7.869 1.00 0.00 H new ATOM 286 N GLU A 19 2.496 -8.511 8.122 1.00 0.00 N ATOM 287 CA GLU A 19 2.492 -7.395 9.110 1.00 0.00 C ATOM 288 C GLU A 19 2.104 -6.083 8.424 1.00 0.00 C ATOM 289 O GLU A 19 2.529 -5.798 7.322 1.00 0.00 O ATOM 290 CB GLU A 19 3.926 -7.324 9.636 1.00 0.00 C ATOM 291 CG GLU A 19 4.200 -8.532 10.535 1.00 0.00 C ATOM 292 CD GLU A 19 5.626 -8.451 11.082 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.068 -7.350 11.369 1.00 0.00 O ATOM 294 OE2 GLU A 19 6.252 -9.491 11.204 1.00 0.00 O ATOM 0 H GLU A 19 2.922 -8.293 7.221 1.00 0.00 H new ATOM 0 HA GLU A 19 1.773 -7.557 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.630 -7.310 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.074 -6.400 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.485 -8.556 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.068 -9.455 9.971 1.00 0.00 H new ATOM 301 N ARG A 20 1.301 -5.281 9.067 1.00 0.00 N ATOM 302 CA ARG A 20 0.884 -3.988 8.450 1.00 0.00 C ATOM 303 C ARG A 20 1.847 -2.870 8.860 1.00 0.00 C ATOM 304 O ARG A 20 2.222 -2.752 10.009 1.00 0.00 O ATOM 305 CB ARG A 20 -0.516 -3.722 9.001 1.00 0.00 C ATOM 306 CG ARG A 20 -1.447 -4.870 8.600 1.00 0.00 C ATOM 307 CD ARG A 20 -2.361 -5.223 9.775 1.00 0.00 C ATOM 308 NE ARG A 20 -2.872 -6.587 9.467 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.099 -6.909 9.774 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.086 -6.129 9.424 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.340 -8.011 10.430 1.00 0.00 N ATOM 0 H ARG A 20 0.915 -5.464 9.993 1.00 0.00 H new ATOM 0 HA ARG A 20 0.892 -4.027 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.480 -3.630 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.898 -2.777 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.044 -4.582 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.861 -5.741 8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.815 -5.209 10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.178 -4.507 9.869 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.263 -7.270 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.898 -5.268 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.045 -6.381 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.569 -8.621 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.299 -8.262 10.670 1.00 0.00 H new ATOM 325 N VAL A 21 2.248 -2.048 7.928 1.00 0.00 N ATOM 326 CA VAL A 21 3.186 -0.939 8.264 1.00 0.00 C ATOM 327 C VAL A 21 3.107 0.160 7.202 1.00 0.00 C ATOM 328 O VAL A 21 2.694 -0.074 6.083 1.00 0.00 O ATOM 329 CB VAL A 21 4.574 -1.579 8.265 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.723 -2.482 9.491 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.746 -2.416 6.996 1.00 0.00 C ATOM 0 H VAL A 21 1.967 -2.097 6.949 1.00 0.00 H new ATOM 0 HA VAL A 21 2.949 -0.476 9.222 1.00 0.00 H new ATOM 0 HB VAL A 21 5.333 -0.798 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.713 -2.937 9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.598 -1.889 10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.964 -3.264 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.735 -2.874 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.985 -3.196 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.641 -1.775 6.120 1.00 0.00 H new ATOM 341 N LYS A 22 3.498 1.357 7.542 1.00 0.00 N ATOM 342 CA LYS A 22 3.444 2.469 6.551 1.00 0.00 C ATOM 343 C LYS A 22 4.775 2.571 5.800 1.00 0.00 C ATOM 344 O LYS A 22 5.784 2.948 6.359 1.00 0.00 O ATOM 345 CB LYS A 22 3.205 3.729 7.385 1.00 0.00 C ATOM 346 CG LYS A 22 1.707 3.894 7.646 1.00 0.00 C ATOM 347 CD LYS A 22 1.062 4.631 6.472 1.00 0.00 C ATOM 348 CE LYS A 22 -0.216 5.328 6.944 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.086 5.394 5.737 1.00 0.00 N ATOM 0 H LYS A 22 3.853 1.614 8.463 1.00 0.00 H new ATOM 0 HA LYS A 22 2.666 2.319 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.744 3.660 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.592 4.603 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.240 2.918 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.547 4.450 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.758 5.363 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.831 3.929 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.697 4.770 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.002 6.324 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.947 5.934 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.572 5.863 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.347 4.431 5.444 1.00 0.00 H new ATOM 363 N ILE A 23 4.785 2.238 4.537 1.00 0.00 N ATOM 364 CA ILE A 23 6.055 2.321 3.759 1.00 0.00 C ATOM 365 C ILE A 23 6.775 3.636 4.075 1.00 0.00 C ATOM 366 O ILE A 23 7.988 3.713 4.048 1.00 0.00 O ATOM 367 CB ILE A 23 5.630 2.279 2.290 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.857 2.014 1.415 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.005 3.620 1.897 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.425 1.878 -0.047 1.00 0.00 C ATOM 0 H ILE A 23 3.973 1.914 4.012 1.00 0.00 H new ATOM 0 HA ILE A 23 6.743 1.512 4.002 1.00 0.00 H new ATOM 0 HB ILE A 23 4.899 1.484 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.573 2.829 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.360 1.104 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.703 3.588 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.132 3.811 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.735 4.417 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.300 1.689 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.725 1.048 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.942 2.800 -0.371 1.00 0.00 H new ATOM 382 N GLN A 24 6.036 4.668 4.376 1.00 0.00 N ATOM 383 CA GLN A 24 6.677 5.976 4.695 1.00 0.00 C ATOM 384 C GLN A 24 7.462 5.870 6.005 1.00 0.00 C ATOM 385 O GLN A 24 8.342 6.663 6.281 1.00 0.00 O ATOM 386 CB GLN A 24 5.516 6.962 4.841 1.00 0.00 C ATOM 387 CG GLN A 24 4.640 6.551 6.027 1.00 0.00 C ATOM 388 CD GLN A 24 4.543 7.713 7.017 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.544 8.172 7.533 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.372 8.211 7.310 1.00 0.00 N ATOM 0 H GLN A 24 5.017 4.663 4.415 1.00 0.00 H new ATOM 0 HA GLN A 24 7.382 6.291 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.899 7.971 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.923 6.979 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.645 6.272 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.063 5.675 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.532 7.827 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.298 8.984 7.971 1.00 0.00 H new ATOM 399 N GLU A 25 7.153 4.894 6.813 1.00 0.00 N ATOM 400 CA GLU A 25 7.879 4.730 8.105 1.00 0.00 C ATOM 401 C GLU A 25 8.797 3.507 8.040 1.00 0.00 C ATOM 402 O GLU A 25 10.006 3.622 8.088 1.00 0.00 O ATOM 403 CB GLU A 25 6.785 4.523 9.151 1.00 0.00 C ATOM 404 CG GLU A 25 5.942 5.795 9.269 1.00 0.00 C ATOM 405 CD GLU A 25 5.548 6.014 10.731 1.00 0.00 C ATOM 406 OE1 GLU A 25 5.086 5.068 11.347 1.00 0.00 O ATOM 407 OE2 GLU A 25 5.714 7.124 11.209 1.00 0.00 O ATOM 0 H GLU A 25 6.427 4.200 6.634 1.00 0.00 H new ATOM 0 HA GLU A 25 8.508 5.589 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.153 3.680 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.231 4.279 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.505 6.652 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.049 5.711 8.650 1.00 0.00 H new ATOM 414 N LYS A 26 8.232 2.335 7.933 1.00 0.00 N ATOM 415 CA LYS A 26 9.071 1.103 7.865 1.00 0.00 C ATOM 416 C LYS A 26 10.132 1.242 6.769 1.00 0.00 C ATOM 417 O LYS A 26 11.247 0.782 6.910 1.00 0.00 O ATOM 418 CB LYS A 26 8.094 -0.022 7.528 1.00 0.00 C ATOM 419 CG LYS A 26 8.869 -1.318 7.282 1.00 0.00 C ATOM 420 CD LYS A 26 9.131 -2.018 8.617 1.00 0.00 C ATOM 421 CE LYS A 26 8.944 -3.527 8.449 1.00 0.00 C ATOM 422 NZ LYS A 26 10.140 -4.138 9.095 1.00 0.00 N ATOM 0 H LYS A 26 7.225 2.177 7.890 1.00 0.00 H new ATOM 0 HA LYS A 26 9.604 0.915 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.386 -0.159 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.513 0.240 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.302 -1.973 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.813 -1.100 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.143 -1.802 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.449 -1.639 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.023 -3.866 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.880 -3.802 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.084 -5.174 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.001 -3.803 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.171 -3.865 10.098 1.00 0.00 H new ATOM 436 N PHE A 27 9.793 1.875 5.679 1.00 0.00 N ATOM 437 CA PHE A 27 10.781 2.043 4.574 1.00 0.00 C ATOM 438 C PHE A 27 10.978 3.530 4.267 1.00 0.00 C ATOM 439 O PHE A 27 11.243 3.911 3.145 1.00 0.00 O ATOM 440 CB PHE A 27 10.160 1.325 3.376 1.00 0.00 C ATOM 441 CG PHE A 27 10.045 -0.151 3.679 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.185 -0.961 3.655 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.797 -0.706 3.983 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.078 -2.329 3.936 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.690 -2.073 4.264 1.00 0.00 C ATOM 446 CZ PHE A 27 9.830 -2.885 4.240 1.00 0.00 C ATOM 0 H PHE A 27 8.875 2.283 5.505 1.00 0.00 H new ATOM 0 HA PHE A 27 11.761 1.638 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.176 1.741 3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.773 1.478 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.148 -0.532 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.917 -0.080 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.958 -2.955 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.727 -2.502 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.747 -3.940 4.456 1.00 0.00 H new ATOM 456 N LYS A 28 10.848 4.373 5.256 1.00 0.00 N ATOM 457 CA LYS A 28 11.024 5.835 5.017 1.00 0.00 C ATOM 458 C LYS A 28 12.304 6.096 4.211 1.00 0.00 C ATOM 459 O LYS A 28 12.446 7.118 3.571 1.00 0.00 O ATOM 460 CB LYS A 28 11.099 6.463 6.419 1.00 0.00 C ATOM 461 CG LYS A 28 12.550 6.507 6.915 1.00 0.00 C ATOM 462 CD LYS A 28 13.072 5.083 7.103 1.00 0.00 C ATOM 463 CE LYS A 28 13.654 4.937 8.510 1.00 0.00 C ATOM 464 NZ LYS A 28 12.641 4.147 9.263 1.00 0.00 N ATOM 0 H LYS A 28 10.628 4.113 6.218 1.00 0.00 H new ATOM 0 HA LYS A 28 10.209 6.263 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.687 7.472 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.489 5.887 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.174 7.042 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.606 7.053 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.265 4.366 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.835 4.862 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.617 4.427 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.819 5.910 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.562 4.517 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.719 4.221 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.934 3.150 9.297 1.00 0.00 H new ATOM 478 N ASN A 29 13.233 5.179 4.237 1.00 0.00 N ATOM 479 CA ASN A 29 14.497 5.377 3.471 1.00 0.00 C ATOM 480 C ASN A 29 14.511 4.467 2.241 1.00 0.00 C ATOM 481 O ASN A 29 15.539 3.942 1.857 1.00 0.00 O ATOM 482 CB ASN A 29 15.612 4.988 4.440 1.00 0.00 C ATOM 483 CG ASN A 29 15.971 6.190 5.315 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.021 7.308 4.841 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.225 6.007 6.581 1.00 0.00 N ATOM 0 H ASN A 29 13.172 4.302 4.755 1.00 0.00 H new ATOM 0 HA ASN A 29 14.610 6.400 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.291 4.154 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.489 4.653 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.466 6.802 7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.183 5.069 6.979 1.00 0.00 H new ATOM 492 N GLY A 30 13.380 4.272 1.622 1.00 0.00 N ATOM 493 CA GLY A 30 13.327 3.394 0.420 1.00 0.00 C ATOM 494 C GLY A 30 13.069 1.950 0.858 1.00 0.00 C ATOM 495 O GLY A 30 13.235 1.604 2.011 1.00 0.00 O ATOM 0 H GLY A 30 12.488 4.684 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.538 3.728 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.265 3.457 -0.132 1.00 0.00 H new ATOM 499 N MET A 31 12.667 1.103 -0.050 1.00 0.00 N ATOM 500 CA MET A 31 12.403 -0.317 0.323 1.00 0.00 C ATOM 501 C MET A 31 13.539 -1.210 -0.184 1.00 0.00 C ATOM 502 O MET A 31 14.324 -0.814 -1.023 1.00 0.00 O ATOM 503 CB MET A 31 11.089 -0.681 -0.372 1.00 0.00 C ATOM 504 CG MET A 31 10.028 0.381 -0.068 1.00 0.00 C ATOM 505 SD MET A 31 8.796 0.398 -1.394 1.00 0.00 S ATOM 506 CE MET A 31 7.973 -1.154 -0.960 1.00 0.00 C ATOM 0 H MET A 31 12.510 1.331 -1.032 1.00 0.00 H new ATOM 0 HA MET A 31 12.340 -0.454 1.403 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.245 -0.754 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.746 -1.658 -0.032 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.548 0.168 0.887 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.495 1.362 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.092 -1.869 -1.774 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.418 -1.560 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.912 -0.969 -0.792 1.00 0.00 H new ATOM 516 N LEU A 32 13.631 -2.412 0.313 1.00 0.00 N ATOM 517 CA LEU A 32 14.715 -3.327 -0.146 1.00 0.00 C ATOM 518 C LEU A 32 14.393 -3.862 -1.544 1.00 0.00 C ATOM 519 O LEU A 32 13.268 -3.802 -1.998 1.00 0.00 O ATOM 520 CB LEU A 32 14.738 -4.466 0.874 1.00 0.00 C ATOM 521 CG LEU A 32 15.508 -4.024 2.122 1.00 0.00 C ATOM 522 CD1 LEU A 32 16.997 -3.909 1.792 1.00 0.00 C ATOM 523 CD2 LEU A 32 14.985 -2.665 2.594 1.00 0.00 C ATOM 0 H LEU A 32 13.003 -2.801 1.017 1.00 0.00 H new ATOM 0 HA LEU A 32 15.680 -2.824 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.720 -4.747 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.207 -5.348 0.438 1.00 0.00 H new ATOM 0 HG LEU A 32 15.367 -4.762 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.543 -3.594 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.372 -4.877 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.138 -3.174 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.534 -2.352 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.123 -1.927 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.925 -2.746 2.833 1.00 0.00 H new ATOM 535 N HIS A 33 15.372 -4.383 -2.231 1.00 0.00 N ATOM 536 CA HIS A 33 15.119 -4.921 -3.597 1.00 0.00 C ATOM 537 C HIS A 33 14.417 -6.279 -3.509 1.00 0.00 C ATOM 538 O HIS A 33 14.793 -7.133 -2.731 1.00 0.00 O ATOM 539 CB HIS A 33 16.503 -5.072 -4.224 1.00 0.00 C ATOM 540 CG HIS A 33 16.382 -5.779 -5.545 1.00 0.00 C ATOM 541 ND1 HIS A 33 16.200 -5.095 -6.736 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.416 -7.111 -5.880 1.00 0.00 C ATOM 543 CE1 HIS A 33 16.133 -6.008 -7.723 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.258 -7.253 -7.255 1.00 0.00 N ATOM 0 H HIS A 33 16.336 -4.459 -1.906 1.00 0.00 H new ATOM 0 HA HIS A 33 14.474 -4.269 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.959 -4.092 -4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.156 -5.635 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.546 -7.925 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.995 -5.764 -8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.241 -8.121 -7.791 1.00 0.00 H new ATOM 552 N GLY A 34 13.401 -6.486 -4.302 1.00 0.00 N ATOM 553 CA GLY A 34 12.678 -7.789 -4.264 1.00 0.00 C ATOM 554 C GLY A 34 11.748 -7.828 -3.050 1.00 0.00 C ATOM 555 O GLY A 34 11.178 -8.852 -2.726 1.00 0.00 O ATOM 0 H GLY A 34 13.040 -5.809 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.102 -7.923 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.392 -8.611 -4.213 1.00 0.00 H new ATOM 559 N ASP A 35 11.587 -6.723 -2.374 1.00 0.00 N ATOM 560 CA ASP A 35 10.690 -6.701 -1.182 1.00 0.00 C ATOM 561 C ASP A 35 9.240 -6.944 -1.608 1.00 0.00 C ATOM 562 O ASP A 35 8.743 -6.328 -2.530 1.00 0.00 O ATOM 563 CB ASP A 35 10.849 -5.298 -0.595 1.00 0.00 C ATOM 564 CG ASP A 35 11.004 -5.393 0.924 1.00 0.00 C ATOM 565 OD1 ASP A 35 10.690 -6.438 1.467 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.434 -4.417 1.518 1.00 0.00 O ATOM 0 H ASP A 35 12.037 -5.835 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 35 10.942 -7.477 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.720 -4.807 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.981 -4.688 -0.845 1.00 0.00 H new ATOM 571 N LYS A 36 8.557 -7.838 -0.947 1.00 0.00 N ATOM 572 CA LYS A 36 7.140 -8.116 -1.321 1.00 0.00 C ATOM 573 C LYS A 36 6.185 -7.395 -0.365 1.00 0.00 C ATOM 574 O LYS A 36 6.246 -7.563 0.837 1.00 0.00 O ATOM 575 CB LYS A 36 6.980 -9.629 -1.191 1.00 0.00 C ATOM 576 CG LYS A 36 7.445 -10.307 -2.482 1.00 0.00 C ATOM 577 CD LYS A 36 6.261 -11.023 -3.136 1.00 0.00 C ATOM 578 CE LYS A 36 6.723 -11.706 -4.425 1.00 0.00 C ATOM 579 NZ LYS A 36 7.204 -13.049 -3.996 1.00 0.00 N ATOM 0 H LYS A 36 8.917 -8.387 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 36 6.908 -7.766 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.563 -9.995 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.938 -9.879 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.859 -9.566 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.240 -11.020 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.845 -11.761 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.467 -10.309 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.907 -11.789 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.517 -11.138 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.538 -13.579 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.985 -12.938 -3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.425 -13.569 -3.544 1.00 0.00 H new ATOM 593 N VAL A 37 5.300 -6.597 -0.894 1.00 0.00 N ATOM 594 CA VAL A 37 4.335 -5.867 -0.023 1.00 0.00 C ATOM 595 C VAL A 37 2.952 -5.837 -0.681 1.00 0.00 C ATOM 596 O VAL A 37 2.830 -5.693 -1.880 1.00 0.00 O ATOM 597 CB VAL A 37 4.903 -4.453 0.107 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.273 -4.518 0.783 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.049 -3.832 -1.284 1.00 0.00 C ATOM 0 H VAL A 37 5.203 -6.418 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 37 4.214 -6.343 0.950 1.00 0.00 H new ATOM 0 HB VAL A 37 4.229 -3.842 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.680 -3.511 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.169 -4.962 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.947 -5.128 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.454 -2.824 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.724 -4.441 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.073 -3.788 -1.767 1.00 0.00 H new ATOM 609 N SER A 38 1.911 -5.978 0.093 1.00 0.00 N ATOM 610 CA SER A 38 0.540 -5.962 -0.494 1.00 0.00 C ATOM 611 C SER A 38 -0.163 -4.638 -0.180 1.00 0.00 C ATOM 612 O SER A 38 -0.028 -4.092 0.897 1.00 0.00 O ATOM 613 CB SER A 38 -0.190 -7.124 0.179 1.00 0.00 C ATOM 614 OG SER A 38 0.757 -8.103 0.583 1.00 0.00 O ATOM 0 H SER A 38 1.950 -6.103 1.105 1.00 0.00 H new ATOM 0 HA SER A 38 0.558 -6.060 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.750 -6.765 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.912 -7.562 -0.510 1.00 0.00 H new ATOM 0 HG SER A 38 0.658 -8.904 0.026 1.00 0.00 H new ATOM 620 N PHE A 39 -0.918 -4.121 -1.112 1.00 0.00 N ATOM 621 CA PHE A 39 -1.636 -2.837 -0.865 1.00 0.00 C ATOM 622 C PHE A 39 -3.102 -3.117 -0.526 1.00 0.00 C ATOM 623 O PHE A 39 -3.708 -4.023 -1.057 1.00 0.00 O ATOM 624 CB PHE A 39 -1.525 -2.062 -2.178 1.00 0.00 C ATOM 625 CG PHE A 39 -0.150 -1.448 -2.281 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.917 -2.200 -2.787 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.060 -0.125 -1.869 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.193 -1.633 -2.881 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.337 0.443 -1.965 1.00 0.00 C ATOM 630 CZ PHE A 39 2.403 -0.311 -2.470 1.00 0.00 C ATOM 0 H PHE A 39 -1.069 -4.532 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.215 -2.278 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.703 -2.728 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.287 -1.284 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.755 -3.219 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.762 0.456 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.015 -2.215 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.499 1.463 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.388 0.127 -2.543 1.00 0.00 H new ATOM 640 N PHE A 40 -3.677 -2.355 0.362 1.00 0.00 N ATOM 641 CA PHE A 40 -5.100 -2.597 0.734 1.00 0.00 C ATOM 642 C PHE A 40 -6.047 -1.971 -0.294 1.00 0.00 C ATOM 643 O PHE A 40 -5.840 -0.867 -0.757 1.00 0.00 O ATOM 644 CB PHE A 40 -5.273 -1.923 2.095 1.00 0.00 C ATOM 645 CG PHE A 40 -4.796 -2.857 3.180 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.295 -4.163 3.248 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.854 -2.418 4.118 1.00 0.00 C ATOM 648 CE1 PHE A 40 -4.851 -5.030 4.253 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.411 -3.284 5.123 1.00 0.00 C ATOM 650 CZ PHE A 40 -3.909 -4.591 5.190 1.00 0.00 C ATOM 0 H PHE A 40 -3.226 -1.578 0.845 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.335 -3.661 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.707 -0.992 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.320 -1.666 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.022 -4.502 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.469 -1.410 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.235 -6.038 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.685 -2.945 5.847 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.566 -5.260 5.965 1.00 0.00 H new ATOM 660 N CYS A 41 -7.096 -2.668 -0.639 1.00 0.00 N ATOM 661 CA CYS A 41 -8.077 -2.121 -1.623 1.00 0.00 C ATOM 662 C CYS A 41 -9.502 -2.420 -1.148 1.00 0.00 C ATOM 663 O CYS A 41 -9.708 -2.900 -0.052 1.00 0.00 O ATOM 664 CB CYS A 41 -7.779 -2.844 -2.937 1.00 0.00 C ATOM 665 SG CYS A 41 -6.671 -1.828 -3.943 1.00 0.00 S ATOM 0 H CYS A 41 -7.317 -3.597 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.995 -1.040 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.321 -3.812 -2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.706 -3.036 -3.478 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.414 -2.442 -5.060 1.00 0.00 H new ATOM 670 N LYS A 42 -10.489 -2.140 -1.956 1.00 0.00 N ATOM 671 CA LYS A 42 -11.892 -2.413 -1.528 1.00 0.00 C ATOM 672 C LYS A 42 -12.619 -3.273 -2.562 1.00 0.00 C ATOM 673 O LYS A 42 -12.337 -3.227 -3.742 1.00 0.00 O ATOM 674 CB LYS A 42 -12.551 -1.039 -1.421 1.00 0.00 C ATOM 675 CG LYS A 42 -12.553 -0.359 -2.792 1.00 0.00 C ATOM 676 CD LYS A 42 -12.195 1.118 -2.630 1.00 0.00 C ATOM 677 CE LYS A 42 -13.232 1.799 -1.734 1.00 0.00 C ATOM 678 NZ LYS A 42 -13.912 2.786 -2.618 1.00 0.00 N ATOM 0 H LYS A 42 -10.386 -1.737 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.927 -2.961 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.572 -1.143 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.014 -0.423 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.837 -0.847 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.534 -0.457 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.201 1.217 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.165 1.605 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.941 1.076 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.758 2.290 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.639 3.295 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.213 3.465 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.359 2.289 -3.414 1.00 0.00 H new ATOM 692 N ASN A 43 -13.558 -4.054 -2.112 1.00 0.00 N ATOM 693 CA ASN A 43 -14.328 -4.930 -3.042 1.00 0.00 C ATOM 694 C ASN A 43 -15.822 -4.603 -2.950 1.00 0.00 C ATOM 695 O ASN A 43 -16.488 -4.979 -2.006 1.00 0.00 O ATOM 696 CB ASN A 43 -14.063 -6.353 -2.551 1.00 0.00 C ATOM 697 CG ASN A 43 -14.207 -7.334 -3.716 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.948 -7.010 -4.739 1.00 0.00 O flip ATOM 699 ND2 ASN A 43 -13.639 -8.408 -3.693 1.00 0.00 N flip ATOM 0 H ASN A 43 -13.829 -4.125 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.032 -4.795 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.061 -6.421 -2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.764 -6.611 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.059 -8.661 -2.893 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.742 -9.056 -4.474 1.00 0.00 H new ATOM 706 N LYS A 44 -16.352 -3.905 -3.916 1.00 0.00 N ATOM 707 CA LYS A 44 -17.803 -3.559 -3.872 1.00 0.00 C ATOM 708 C LYS A 44 -18.658 -4.823 -3.997 1.00 0.00 C ATOM 709 O LYS A 44 -19.581 -5.036 -3.237 1.00 0.00 O ATOM 710 CB LYS A 44 -18.029 -2.635 -5.069 1.00 0.00 C ATOM 711 CG LYS A 44 -18.176 -1.193 -4.578 1.00 0.00 C ATOM 712 CD LYS A 44 -18.161 -0.241 -5.776 1.00 0.00 C ATOM 713 CE LYS A 44 -16.715 0.018 -6.204 1.00 0.00 C ATOM 714 NZ LYS A 44 -16.724 -0.119 -7.687 1.00 0.00 N ATOM 0 H LYS A 44 -15.846 -3.560 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.083 -3.083 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.193 -2.711 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.924 -2.939 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.107 -1.080 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.364 -0.946 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.725 -0.672 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.648 0.698 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.385 1.012 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.033 -0.698 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.766 0.045 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.036 -1.077 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.377 0.579 -8.096 1.00 0.00 H new ATOM 728 N GLU A 45 -18.359 -5.664 -4.949 1.00 0.00 N ATOM 729 CA GLU A 45 -19.158 -6.911 -5.118 1.00 0.00 C ATOM 730 C GLU A 45 -19.103 -7.752 -3.839 1.00 0.00 C ATOM 731 O GLU A 45 -20.090 -8.319 -3.415 1.00 0.00 O ATOM 732 CB GLU A 45 -18.494 -7.655 -6.277 1.00 0.00 C ATOM 733 CG GLU A 45 -19.566 -8.123 -7.263 1.00 0.00 C ATOM 734 CD GLU A 45 -18.952 -9.115 -8.253 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.951 -9.722 -7.910 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.494 -9.251 -9.338 1.00 0.00 O ATOM 0 H GLU A 45 -17.597 -5.542 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.209 -6.703 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.781 -7.003 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.933 -8.510 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.390 -8.593 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.981 -7.269 -7.798 1.00 0.00 H new ATOM 743 N LYS A 46 -17.957 -7.834 -3.220 1.00 0.00 N ATOM 744 CA LYS A 46 -17.843 -8.637 -1.970 1.00 0.00 C ATOM 745 C LYS A 46 -18.132 -7.756 -0.750 1.00 0.00 C ATOM 746 O LYS A 46 -18.415 -8.244 0.325 1.00 0.00 O ATOM 747 CB LYS A 46 -16.400 -9.137 -1.950 1.00 0.00 C ATOM 748 CG LYS A 46 -16.171 -10.073 -3.139 1.00 0.00 C ATOM 749 CD LYS A 46 -15.395 -11.309 -2.677 1.00 0.00 C ATOM 750 CE LYS A 46 -15.555 -12.428 -3.709 1.00 0.00 C ATOM 751 NZ LYS A 46 -16.667 -13.272 -3.192 1.00 0.00 N ATOM 0 H LYS A 46 -17.096 -7.380 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.555 -9.461 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.711 -8.294 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.198 -9.661 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.127 -10.371 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.617 -9.555 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.340 -11.063 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.763 -11.640 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.790 -12.026 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.636 -13.005 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.837 -14.062 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.412 -13.647 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.530 -12.698 -3.112 1.00 0.00 H new ATOM 765 N LYS A 47 -18.069 -6.462 -0.916 1.00 0.00 N ATOM 766 CA LYS A 47 -18.348 -5.540 0.227 1.00 0.00 C ATOM 767 C LYS A 47 -17.238 -5.629 1.278 1.00 0.00 C ATOM 768 O LYS A 47 -17.476 -5.455 2.457 1.00 0.00 O ATOM 769 CB LYS A 47 -19.676 -6.012 0.817 1.00 0.00 C ATOM 770 CG LYS A 47 -20.640 -6.396 -0.311 1.00 0.00 C ATOM 771 CD LYS A 47 -22.064 -5.985 0.071 1.00 0.00 C ATOM 772 CE LYS A 47 -22.817 -5.535 -1.182 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.886 -6.554 -1.375 1.00 0.00 N ATOM 0 H LYS A 47 -17.836 -6.001 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.393 -4.501 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.510 -6.867 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.113 -5.223 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.345 -5.905 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.596 -7.470 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.582 -6.822 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.037 -5.177 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.240 -4.539 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.154 -5.490 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.447 -6.314 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.453 -7.491 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.505 -6.570 -0.540 1.00 0.00 H new ATOM 787 N CYS A 48 -16.029 -5.888 0.865 1.00 0.00 N ATOM 788 CA CYS A 48 -14.908 -5.973 1.848 1.00 0.00 C ATOM 789 C CYS A 48 -13.621 -5.483 1.196 1.00 0.00 C ATOM 790 O CYS A 48 -13.588 -5.170 0.025 1.00 0.00 O ATOM 791 CB CYS A 48 -14.740 -7.453 2.223 1.00 0.00 C ATOM 792 SG CYS A 48 -16.295 -8.369 2.055 1.00 0.00 S ATOM 0 H CYS A 48 -15.767 -6.045 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.120 -5.363 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.980 -7.906 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.382 -7.530 3.250 1.00 0.00 H new ATOM 797 N SER A 49 -12.553 -5.437 1.938 1.00 0.00 N ATOM 798 CA SER A 49 -11.267 -4.990 1.349 1.00 0.00 C ATOM 799 C SER A 49 -10.316 -6.181 1.234 1.00 0.00 C ATOM 800 O SER A 49 -10.586 -7.257 1.736 1.00 0.00 O ATOM 801 CB SER A 49 -10.714 -3.956 2.323 1.00 0.00 C ATOM 802 OG SER A 49 -11.149 -4.270 3.640 1.00 0.00 O ATOM 0 H SER A 49 -12.516 -5.690 2.926 1.00 0.00 H new ATOM 0 HA SER A 49 -11.390 -4.572 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.625 -3.946 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.054 -2.959 2.044 1.00 0.00 H new ATOM 0 HG SER A 49 -10.371 -4.458 4.205 1.00 0.00 H new ATOM 808 N TYR A 50 -9.205 -5.995 0.583 1.00 0.00 N ATOM 809 CA TYR A 50 -8.226 -7.110 0.438 1.00 0.00 C ATOM 810 C TYR A 50 -6.833 -6.547 0.159 1.00 0.00 C ATOM 811 O TYR A 50 -6.652 -5.351 0.039 1.00 0.00 O ATOM 812 CB TYR A 50 -8.725 -7.936 -0.750 1.00 0.00 C ATOM 813 CG TYR A 50 -9.116 -7.017 -1.883 1.00 0.00 C ATOM 814 CD1 TYR A 50 -8.126 -6.407 -2.662 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.468 -6.779 -2.157 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.489 -5.557 -3.715 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.830 -5.930 -3.209 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.840 -5.320 -3.989 1.00 0.00 C ATOM 819 OH TYR A 50 -10.197 -4.483 -5.027 1.00 0.00 O ATOM 0 H TYR A 50 -8.930 -5.117 0.143 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.151 -7.715 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.946 -8.624 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.580 -8.542 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.083 -6.591 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.232 -7.251 -1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.725 -5.085 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.873 -5.745 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.965 -3.937 -4.758 1.00 0.00 H new ATOM 829 N THR A 51 -5.845 -7.392 0.059 1.00 0.00 N ATOM 830 CA THR A 51 -4.468 -6.887 -0.206 1.00 0.00 C ATOM 831 C THR A 51 -4.000 -7.300 -1.602 1.00 0.00 C ATOM 832 O THR A 51 -4.327 -8.363 -2.093 1.00 0.00 O ATOM 833 CB THR A 51 -3.588 -7.540 0.859 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.819 -8.942 0.870 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.923 -6.954 2.231 1.00 0.00 C ATOM 0 H THR A 51 -5.930 -8.405 0.149 1.00 0.00 H new ATOM 0 HA THR A 51 -4.424 -5.799 -0.166 1.00 0.00 H new ATOM 0 HB THR A 51 -2.540 -7.347 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.254 -9.361 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.294 -7.421 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.742 -5.879 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.971 -7.144 2.462 1.00 0.00 H new ATOM 843 N GLU A 52 -3.224 -6.468 -2.235 1.00 0.00 N ATOM 844 CA GLU A 52 -2.711 -6.800 -3.592 1.00 0.00 C ATOM 845 C GLU A 52 -1.192 -6.961 -3.530 1.00 0.00 C ATOM 846 O GLU A 52 -0.452 -6.007 -3.674 1.00 0.00 O ATOM 847 CB GLU A 52 -3.090 -5.607 -4.468 1.00 0.00 C ATOM 848 CG GLU A 52 -4.603 -5.386 -4.407 1.00 0.00 C ATOM 849 CD GLU A 52 -5.299 -6.355 -5.365 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.830 -7.475 -5.488 1.00 0.00 O ATOM 851 OE2 GLU A 52 -6.288 -5.960 -5.960 1.00 0.00 O ATOM 0 H GLU A 52 -2.921 -5.566 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.125 -7.729 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.568 -4.713 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.780 -5.786 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.963 -5.542 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.842 -4.357 -4.676 1.00 0.00 H new ATOM 858 N ASP A 53 -0.726 -8.157 -3.297 1.00 0.00 N ATOM 859 CA ASP A 53 0.744 -8.386 -3.201 1.00 0.00 C ATOM 860 C ASP A 53 1.501 -7.546 -4.231 1.00 0.00 C ATOM 861 O ASP A 53 1.044 -7.325 -5.334 1.00 0.00 O ATOM 862 CB ASP A 53 0.938 -9.871 -3.488 1.00 0.00 C ATOM 863 CG ASP A 53 0.160 -10.698 -2.463 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.130 -10.300 -1.311 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.393 -11.715 -2.848 1.00 0.00 O ATOM 0 H ASP A 53 -1.302 -8.989 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 53 1.129 -8.099 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.594 -10.105 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.997 -10.124 -3.446 1.00 0.00 H new ATOM 870 N ALA A 54 2.666 -7.086 -3.871 1.00 0.00 N ATOM 871 CA ALA A 54 3.480 -6.264 -4.811 1.00 0.00 C ATOM 872 C ALA A 54 4.950 -6.687 -4.723 1.00 0.00 C ATOM 873 O ALA A 54 5.313 -7.520 -3.918 1.00 0.00 O ATOM 874 CB ALA A 54 3.304 -4.821 -4.335 1.00 0.00 C ATOM 0 H ALA A 54 3.093 -7.245 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 54 3.170 -6.384 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.875 -4.153 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.249 -4.550 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.662 -4.730 -3.310 1.00 0.00 H new ATOM 880 N GLN A 55 5.798 -6.129 -5.542 1.00 0.00 N ATOM 881 CA GLN A 55 7.237 -6.518 -5.490 1.00 0.00 C ATOM 882 C GLN A 55 8.137 -5.292 -5.674 1.00 0.00 C ATOM 883 O GLN A 55 7.777 -4.336 -6.333 1.00 0.00 O ATOM 884 CB GLN A 55 7.424 -7.497 -6.649 1.00 0.00 C ATOM 885 CG GLN A 55 8.669 -8.349 -6.397 1.00 0.00 C ATOM 886 CD GLN A 55 8.654 -9.567 -7.323 1.00 0.00 C ATOM 887 OE1 GLN A 55 7.735 -10.360 -7.289 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.642 -9.749 -8.155 1.00 0.00 N ATOM 0 H GLN A 55 5.560 -5.425 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 55 7.505 -6.960 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.546 -8.136 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.526 -6.952 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.568 -7.758 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.697 -8.671 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.414 -9.083 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.643 -10.557 -8.777 1.00 0.00 H new ATOM 897 N CYS A 56 9.308 -5.319 -5.098 1.00 0.00 N ATOM 898 CA CYS A 56 10.240 -4.165 -5.237 1.00 0.00 C ATOM 899 C CYS A 56 11.393 -4.539 -6.174 1.00 0.00 C ATOM 900 O CYS A 56 11.824 -5.673 -6.218 1.00 0.00 O ATOM 901 CB CYS A 56 10.755 -3.911 -3.822 1.00 0.00 C ATOM 902 SG CYS A 56 10.524 -2.166 -3.397 1.00 0.00 S ATOM 0 H CYS A 56 9.660 -6.094 -4.535 1.00 0.00 H new ATOM 0 HA CYS A 56 9.759 -3.283 -5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.222 -4.543 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.810 -4.176 -3.755 1.00 0.00 H new ATOM 907 N ILE A 57 11.890 -3.596 -6.926 1.00 0.00 N ATOM 908 CA ILE A 57 13.009 -3.902 -7.864 1.00 0.00 C ATOM 909 C ILE A 57 14.057 -2.782 -7.830 1.00 0.00 C ATOM 910 O ILE A 57 13.867 -1.760 -7.201 1.00 0.00 O ATOM 911 CB ILE A 57 12.352 -3.989 -9.245 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.399 -5.186 -9.283 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.426 -4.166 -10.319 1.00 0.00 C ATOM 914 CD1 ILE A 57 12.185 -6.475 -9.036 1.00 0.00 C ATOM 0 H ILE A 57 11.571 -2.627 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 57 13.529 -4.823 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 57 11.797 -3.071 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.623 -5.070 -8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.897 -5.234 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.954 -4.227 -11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.107 -3.315 -10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.985 -5.082 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.505 -7.327 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.944 -6.592 -9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.666 -6.426 -8.059 1.00 0.00 H new ATOM 926 N ASP A 58 15.163 -2.982 -8.496 1.00 0.00 N ATOM 927 CA ASP A 58 16.248 -1.954 -8.518 1.00 0.00 C ATOM 928 C ASP A 58 15.685 -0.529 -8.491 1.00 0.00 C ATOM 929 O ASP A 58 15.404 0.059 -9.517 1.00 0.00 O ATOM 930 CB ASP A 58 16.984 -2.202 -9.832 1.00 0.00 C ATOM 931 CG ASP A 58 18.376 -1.572 -9.767 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.266 -2.204 -9.224 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.527 -0.467 -10.261 1.00 0.00 O ATOM 0 H ASP A 58 15.365 -3.825 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 58 16.893 -2.038 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.067 -3.273 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.420 -1.777 -10.662 1.00 0.00 H new ATOM 938 N GLY A 59 15.539 0.035 -7.323 1.00 0.00 N ATOM 939 CA GLY A 59 15.018 1.429 -7.217 1.00 0.00 C ATOM 940 C GLY A 59 13.727 1.589 -8.025 1.00 0.00 C ATOM 941 O GLY A 59 13.320 2.690 -8.339 1.00 0.00 O ATOM 0 H GLY A 59 15.759 -0.412 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.831 1.674 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.769 2.131 -7.579 1.00 0.00 H new ATOM 945 N THR A 60 13.072 0.512 -8.361 1.00 0.00 N ATOM 946 CA THR A 60 11.807 0.636 -9.143 1.00 0.00 C ATOM 947 C THR A 60 10.740 -0.304 -8.584 1.00 0.00 C ATOM 948 O THR A 60 10.980 -1.471 -8.370 1.00 0.00 O ATOM 949 CB THR A 60 12.168 0.225 -10.568 1.00 0.00 C ATOM 950 OG1 THR A 60 13.397 0.831 -10.941 1.00 0.00 O ATOM 951 CG2 THR A 60 11.060 0.674 -11.521 1.00 0.00 C ATOM 0 H THR A 60 13.354 -0.441 -8.131 1.00 0.00 H new ATOM 0 HA THR A 60 11.404 1.648 -9.097 1.00 0.00 H new ATOM 0 HB THR A 60 12.273 -0.859 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.141 0.335 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.315 0.382 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.120 0.203 -11.233 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.954 1.758 -11.470 1.00 0.00 H new ATOM 959 N ILE A 61 9.562 0.196 -8.358 1.00 0.00 N ATOM 960 CA ILE A 61 8.477 -0.676 -7.824 1.00 0.00 C ATOM 961 C ILE A 61 7.185 -0.434 -8.603 1.00 0.00 C ATOM 962 O ILE A 61 6.840 0.686 -8.927 1.00 0.00 O ATOM 963 CB ILE A 61 8.314 -0.275 -6.355 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.952 -0.750 -5.840 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.406 1.247 -6.216 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.140 -1.529 -4.538 1.00 0.00 C ATOM 0 H ILE A 61 9.300 1.169 -8.518 1.00 0.00 H new ATOM 0 HA ILE A 61 8.713 -1.736 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 61 9.108 -0.739 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.297 0.105 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.469 -1.381 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.289 1.524 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.377 1.587 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.617 1.715 -6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.170 -1.866 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.780 -2.393 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.604 -0.884 -3.792 1.00 0.00 H new ATOM 978 N GLU A 62 6.473 -1.480 -8.912 1.00 0.00 N ATOM 979 CA GLU A 62 5.205 -1.320 -9.678 1.00 0.00 C ATOM 980 C GLU A 62 4.009 -1.287 -8.726 1.00 0.00 C ATOM 981 O GLU A 62 3.170 -2.165 -8.739 1.00 0.00 O ATOM 982 CB GLU A 62 5.136 -2.548 -10.584 1.00 0.00 C ATOM 983 CG GLU A 62 5.496 -2.147 -12.015 1.00 0.00 C ATOM 984 CD GLU A 62 4.325 -2.467 -12.946 1.00 0.00 C ATOM 985 OE1 GLU A 62 3.458 -3.223 -12.538 1.00 0.00 O ATOM 986 OE2 GLU A 62 4.315 -1.952 -14.052 1.00 0.00 O ATOM 0 H GLU A 62 6.714 -2.441 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 62 5.180 -0.390 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.822 -3.316 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.135 -2.978 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.728 -1.083 -12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.389 -2.681 -12.340 1.00 0.00 H new ATOM 993 N VAL A 63 3.918 -0.278 -7.902 1.00 0.00 N ATOM 994 CA VAL A 63 2.769 -0.196 -6.960 1.00 0.00 C ATOM 995 C VAL A 63 1.463 -0.484 -7.715 1.00 0.00 C ATOM 996 O VAL A 63 1.259 0.026 -8.798 1.00 0.00 O ATOM 997 CB VAL A 63 2.787 1.243 -6.444 1.00 0.00 C ATOM 998 CG1 VAL A 63 2.450 2.203 -7.587 1.00 0.00 C ATOM 999 CG2 VAL A 63 1.751 1.397 -5.327 1.00 0.00 C ATOM 0 H VAL A 63 4.587 0.489 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 63 2.838 -0.918 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 63 3.779 1.476 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.463 3.228 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.187 2.095 -8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.459 1.971 -7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.763 2.423 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.760 1.163 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.992 0.715 -4.511 1.00 0.00 H new ATOM 1009 N PRO A 64 0.616 -1.297 -7.129 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.671 -1.645 -7.777 1.00 0.00 C ATOM 1011 C PRO A 64 -1.503 -0.386 -8.032 1.00 0.00 C ATOM 1012 O PRO A 64 -1.570 0.504 -7.209 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.337 -2.554 -6.740 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.395 -2.699 -5.529 1.00 0.00 C ATOM 1015 CD PRO A 64 0.888 -1.903 -5.804 1.00 0.00 C ATOM 0 HA PRO A 64 -0.558 -2.122 -8.751 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.292 -2.133 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.547 -3.532 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.882 -2.331 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.159 -3.749 -5.358 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.066 -1.145 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.767 -2.547 -5.826 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.830 1.740 1.446 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.268 0.358 1.497 1.00 0.00 C ATOM 1274 C ALA A 80 -8.258 0.226 2.642 1.00 0.00 C ATOM 1275 O ALA A 80 -8.249 -0.748 3.367 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.575 0.173 0.149 1.00 0.00 C ATOM 0 HA ALA A 80 -10.038 -0.393 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.132 -0.822 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.304 0.284 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.793 0.924 0.036 1.00 0.00 H new ATOM 1282 N SER A 81 -7.401 1.197 2.805 1.00 0.00 N ATOM 1283 CA SER A 81 -6.384 1.126 3.895 1.00 0.00 C ATOM 1284 C SER A 81 -7.062 1.070 5.269 1.00 0.00 C ATOM 1285 O SER A 81 -6.428 0.799 6.270 1.00 0.00 O ATOM 1286 CB SER A 81 -5.572 2.413 3.757 1.00 0.00 C ATOM 1287 OG SER A 81 -4.920 2.691 4.989 1.00 0.00 O ATOM 0 H SER A 81 -7.361 2.038 2.230 1.00 0.00 H new ATOM 0 HA SER A 81 -5.764 0.233 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.837 2.309 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.225 3.241 3.483 1.00 0.00 H new ATOM 0 HG SER A 81 -4.436 3.540 4.919 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.338 1.331 5.330 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.040 1.300 6.647 1.00 0.00 C ATOM 1295 C ASP A 82 -10.277 0.399 6.585 1.00 0.00 C ATOM 1296 O ASP A 82 -11.250 0.621 7.277 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.448 2.748 6.903 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.208 3.577 7.243 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.143 2.992 7.361 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.343 4.782 7.377 1.00 0.00 O ATOM 0 H ASP A 82 -8.925 1.564 4.529 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.406 0.900 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.942 3.158 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.165 2.795 7.722 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.248 -0.614 5.767 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.426 -1.524 5.670 1.00 0.00 C ATOM 1307 C VAL A 83 -11.049 -2.932 6.134 1.00 0.00 C ATOM 1308 O VAL A 83 -9.908 -3.341 6.050 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.800 -1.533 4.190 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.143 -2.243 4.004 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.914 -0.092 3.686 1.00 0.00 C ATOM 0 H VAL A 83 -9.462 -0.853 5.162 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.253 -1.193 6.298 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.030 -2.059 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.408 -2.248 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.065 -3.269 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.913 -1.718 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.181 -0.096 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.684 0.432 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.958 0.416 3.817 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.001 -3.678 6.623 1.00 0.00 N ATOM 1322 CA LYS A 84 -11.699 -5.061 7.091 1.00 0.00 C ATOM 1323 C LYS A 84 -11.742 -6.035 5.904 1.00 0.00 C ATOM 1324 O LYS A 84 -12.611 -5.935 5.061 1.00 0.00 O ATOM 1325 CB LYS A 84 -12.810 -5.386 8.090 1.00 0.00 C ATOM 1326 CG LYS A 84 -12.202 -5.984 9.361 1.00 0.00 C ATOM 1327 CD LYS A 84 -13.077 -7.139 9.850 1.00 0.00 C ATOM 1328 CE LYS A 84 -14.466 -6.609 10.217 1.00 0.00 C ATOM 1329 NZ LYS A 84 -14.799 -7.267 11.510 1.00 0.00 N ATOM 0 H LYS A 84 -12.975 -3.390 6.719 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.709 -5.145 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.369 -4.483 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.516 -6.089 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.191 -6.339 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.124 -5.220 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.160 -7.900 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.618 -7.616 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.461 -5.524 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.198 -6.855 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.738 -6.953 11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.803 -8.299 11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.088 -7.009 12.224 1.00 0.00 H new ATOM 1343 N PRO A 85 -10.802 -6.951 5.867 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.750 -7.939 4.764 1.00 0.00 C ATOM 1345 C PRO A 85 -12.025 -8.788 4.748 1.00 0.00 C ATOM 1346 O PRO A 85 -12.510 -9.213 5.778 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.526 -8.787 5.126 1.00 0.00 C ATOM 1348 CG PRO A 85 -8.919 -8.245 6.436 1.00 0.00 C ATOM 1349 CD PRO A 85 -9.754 -7.050 6.911 1.00 0.00 C ATOM 0 HA PRO A 85 -10.680 -7.489 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.812 -9.832 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.789 -8.749 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.909 -9.025 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.884 -7.942 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.181 -7.221 7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.158 -6.139 6.975 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.578 -9.035 3.590 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.824 -9.853 3.523 1.00 0.00 C ATOM 1359 C CYS A 86 -13.699 -11.082 4.428 1.00 0.00 C ATOM 1360 O CYS A 86 -12.782 -11.859 4.214 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.948 -10.277 2.061 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.693 -10.236 1.571 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.522 -11.225 5.317 1.00 0.00 O ATOM 0 H CYS A 86 -12.223 -8.707 2.692 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.699 -9.296 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.364 -9.610 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.544 -11.280 1.926 1.00 0.00 H new