USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 62 SER OG : rot 180:sc= -0.0178 USER MOD Set 1.2: A 63 CYS SG : rot 48:sc= 0.0186 USER MOD Set 2.1: A 39 SER OG : rot 171:sc= 1.23 USER MOD Set 2.2: A 41 SER OG : rot -55:sc= 0.916 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -93:sc= 0.117 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= 0.0768 (180deg=0.0453) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 3:sc= 1.08 USER MOD Single : A 36 TYR OH : rot -91:sc= 0.0183 USER MOD Single : A 37 TYR OH : rot 36:sc= -5.31! USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= 0.974 (180deg=-0.168) USER MOD Single : A 44 LYS NZ :NH3+ -144:sc= 1.46 (180deg=-2.12) USER MOD Single : A 47 SER OG : rot -61:sc= -2! USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.269 (180deg=-1.48!) USER MOD Single : A 50 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.089) USER MOD Single : A 68 THR OG1 : rot 117:sc= 0.363 USER MOD Single : A 70 LYS NZ :NH3+ 145:sc= -0.202 (180deg=-0.991) USER MOD Single : A 71 MET CE :methyl -124:sc=-0.00509 (180deg=-0.471) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.159 1.127 9.889 1.00 0.00 N ATOM 53 CA GLY A 6 -3.236 0.793 11.340 1.00 0.00 C ATOM 54 C GLY A 6 -1.824 0.625 11.901 1.00 0.00 C ATOM 55 O GLY A 6 -1.331 1.464 12.629 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.761 1.582 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.807 -0.124 11.483 1.00 0.00 H new ATOM 59 N ARG A 7 -1.167 -0.453 11.569 1.00 0.00 N ATOM 60 CA ARG A 7 0.218 -0.667 12.074 1.00 0.00 C ATOM 61 C ARG A 7 1.186 0.237 11.308 1.00 0.00 C ATOM 62 O ARG A 7 0.867 0.755 10.257 1.00 0.00 O ATOM 63 CB ARG A 7 0.616 -2.130 11.867 1.00 0.00 C ATOM 64 CG ARG A 7 -0.220 -3.021 12.789 1.00 0.00 C ATOM 65 CD ARG A 7 0.142 -4.487 12.547 1.00 0.00 C ATOM 66 NE ARG A 7 -0.700 -5.357 13.417 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.749 -6.643 13.202 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.061 -7.168 12.224 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.486 -7.405 13.963 1.00 0.00 N ATOM 0 H ARG A 7 -1.530 -1.194 10.970 1.00 0.00 H new ATOM 0 HA ARG A 7 0.258 -0.426 13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.460 -2.417 10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.677 -2.263 12.079 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.037 -2.757 13.831 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.282 -2.862 12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.014 -4.743 11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.198 -4.652 12.762 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.238 -4.947 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.515 -6.573 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.099 -8.173 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.024 -6.995 14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.524 -8.410 13.794 1.00 0.00 H new ATOM 83 N THR A 8 2.368 0.430 11.828 1.00 0.00 N ATOM 84 CA THR A 8 3.356 1.300 11.130 1.00 0.00 C ATOM 85 C THR A 8 4.750 0.680 11.242 1.00 0.00 C ATOM 86 O THR A 8 5.070 0.020 12.210 1.00 0.00 O ATOM 87 CB THR A 8 3.360 2.688 11.777 1.00 0.00 C ATOM 88 OG1 THR A 8 3.858 2.586 13.104 1.00 0.00 O ATOM 89 CG2 THR A 8 1.937 3.245 11.804 1.00 0.00 C ATOM 0 H THR A 8 2.692 0.023 12.705 1.00 0.00 H new ATOM 0 HA THR A 8 3.083 1.390 10.079 1.00 0.00 H new ATOM 0 HB THR A 8 3.997 3.358 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.863 3.473 13.520 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.942 4.233 12.265 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.557 3.322 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.296 2.578 12.381 1.00 0.00 H new ATOM 97 N ASP A 9 5.582 0.885 10.257 1.00 0.00 N ATOM 98 CA ASP A 9 6.956 0.312 10.313 1.00 0.00 C ATOM 99 C ASP A 9 7.812 1.131 11.282 1.00 0.00 C ATOM 100 O ASP A 9 7.567 2.300 11.508 1.00 0.00 O ATOM 101 CB ASP A 9 7.584 0.356 8.917 1.00 0.00 C ATOM 102 CG ASP A 9 7.692 1.809 8.451 1.00 0.00 C ATOM 103 OD1 ASP A 9 7.228 2.677 9.171 1.00 0.00 O ATOM 104 OD2 ASP A 9 8.237 2.027 7.383 1.00 0.00 O ATOM 0 H ASP A 9 5.370 1.424 9.417 1.00 0.00 H new ATOM 0 HA ASP A 9 6.905 -0.721 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.571 -0.105 8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.978 -0.218 8.216 1.00 0.00 H new ATOM 109 N CYS A 10 8.816 0.527 11.856 1.00 0.00 N ATOM 110 CA CYS A 10 9.690 1.272 12.806 1.00 0.00 C ATOM 111 C CYS A 10 11.124 1.284 12.277 1.00 0.00 C ATOM 112 O CYS A 10 11.752 0.253 12.136 1.00 0.00 O ATOM 113 CB CYS A 10 9.656 0.588 14.174 1.00 0.00 C ATOM 114 SG CYS A 10 8.057 0.896 14.964 1.00 0.00 S ATOM 0 H CYS A 10 9.069 -0.450 11.708 1.00 0.00 H new ATOM 0 HA CYS A 10 9.331 2.296 12.903 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.817 -0.484 14.060 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.463 0.967 14.802 1.00 0.00 H new ATOM 0 HG CYS A 10 8.145 1.944 15.728 1.00 0.00 H new ATOM 120 N PRO A 11 11.636 2.449 11.987 1.00 0.00 N ATOM 121 CA PRO A 11 13.020 2.615 11.457 1.00 0.00 C ATOM 122 C PRO A 11 14.085 2.393 12.536 1.00 0.00 C ATOM 123 O PRO A 11 15.213 2.048 12.246 1.00 0.00 O ATOM 124 CB PRO A 11 13.052 4.063 10.965 1.00 0.00 C ATOM 125 CG PRO A 11 12.011 4.778 11.763 1.00 0.00 C ATOM 126 CD PRO A 11 10.947 3.739 12.135 1.00 0.00 C ATOM 0 HA PRO A 11 13.244 1.886 10.678 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.036 4.507 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.837 4.120 9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.447 5.222 12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.572 5.591 11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.588 3.884 13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.079 3.805 11.479 1.00 0.00 H new ATOM 134 N ALA A 12 13.734 2.588 13.777 1.00 0.00 N ATOM 135 CA ALA A 12 14.724 2.384 14.872 1.00 0.00 C ATOM 136 C ALA A 12 14.815 0.893 15.206 1.00 0.00 C ATOM 137 O ALA A 12 15.756 0.443 15.829 1.00 0.00 O ATOM 138 CB ALA A 12 14.280 3.159 16.114 1.00 0.00 C ATOM 0 H ALA A 12 12.805 2.880 14.080 1.00 0.00 H new ATOM 0 HA ALA A 12 15.701 2.745 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.004 3.009 16.915 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.216 4.221 15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.303 2.800 16.437 1.00 0.00 H new ATOM 144 N LEU A 13 13.843 0.124 14.797 1.00 0.00 N ATOM 145 CA LEU A 13 13.876 -1.336 15.091 1.00 0.00 C ATOM 146 C LEU A 13 14.092 -2.113 13.791 1.00 0.00 C ATOM 147 O LEU A 13 13.676 -1.693 12.729 1.00 0.00 O ATOM 148 CB LEU A 13 12.548 -1.759 15.723 1.00 0.00 C ATOM 149 CG LEU A 13 12.629 -1.596 17.241 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.048 -0.164 17.579 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.258 -1.883 17.858 1.00 0.00 C ATOM 0 H LEU A 13 13.029 0.444 14.273 1.00 0.00 H new ATOM 0 HA LEU A 13 14.692 -1.549 15.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.734 -1.153 15.325 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.327 -2.796 15.469 1.00 0.00 H new ATOM 0 HG LEU A 13 13.363 -2.294 17.642 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.106 -0.048 18.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.024 0.043 17.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.314 0.534 17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.315 -1.767 18.940 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.525 -1.184 17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.957 -2.903 17.618 1.00 0.00 H new ATOM 163 N PRO A 14 14.742 -3.242 13.879 1.00 0.00 N ATOM 164 CA PRO A 14 15.015 -4.112 12.699 1.00 0.00 C ATOM 165 C PRO A 14 13.798 -4.234 11.777 1.00 0.00 C ATOM 166 O PRO A 14 12.670 -4.270 12.225 1.00 0.00 O ATOM 167 CB PRO A 14 15.356 -5.472 13.315 1.00 0.00 C ATOM 168 CG PRO A 14 15.862 -5.175 14.688 1.00 0.00 C ATOM 169 CD PRO A 14 15.289 -3.809 15.121 1.00 0.00 C ATOM 0 HA PRO A 14 15.811 -3.707 12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.478 -6.117 13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.109 -5.992 12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.555 -5.955 15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.952 -5.151 14.696 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.517 -3.923 15.882 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.062 -3.168 15.546 1.00 0.00 H new ATOM 177 N PRO A 15 14.035 -4.298 10.495 1.00 0.00 N ATOM 178 CA PRO A 15 12.951 -4.421 9.479 1.00 0.00 C ATOM 179 C PRO A 15 11.956 -5.533 9.826 1.00 0.00 C ATOM 180 O PRO A 15 12.326 -6.675 10.010 1.00 0.00 O ATOM 181 CB PRO A 15 13.701 -4.758 8.189 1.00 0.00 C ATOM 182 CG PRO A 15 15.083 -4.227 8.383 1.00 0.00 C ATOM 183 CD PRO A 15 15.368 -4.257 9.875 1.00 0.00 C ATOM 0 HA PRO A 15 12.353 -3.512 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.715 -5.833 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.222 -4.299 7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.808 -4.833 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.163 -3.211 7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.962 -5.129 10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.928 -3.377 10.192 1.00 0.00 H new ATOM 191 N GLY A 16 10.696 -5.206 9.917 1.00 0.00 N ATOM 192 CA GLY A 16 9.679 -6.243 10.251 1.00 0.00 C ATOM 193 C GLY A 16 8.929 -5.833 11.518 1.00 0.00 C ATOM 194 O GLY A 16 7.768 -6.145 11.693 1.00 0.00 O ATOM 0 H GLY A 16 10.327 -4.266 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.979 -6.361 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.163 -7.208 10.399 1.00 0.00 H new ATOM 198 N TRP A 17 9.583 -5.133 12.407 1.00 0.00 N ATOM 199 CA TRP A 17 8.904 -4.701 13.660 1.00 0.00 C ATOM 200 C TRP A 17 7.708 -3.812 13.312 1.00 0.00 C ATOM 201 O TRP A 17 7.790 -2.950 12.461 1.00 0.00 O ATOM 202 CB TRP A 17 9.889 -3.913 14.527 1.00 0.00 C ATOM 203 CG TRP A 17 10.625 -4.854 15.425 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.880 -5.313 15.210 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.177 -5.458 16.674 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.230 -6.161 16.246 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.214 -6.282 17.173 1.00 0.00 C ATOM 208 CE3 TRP A 17 8.983 -5.373 17.414 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.072 -6.995 18.364 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.837 -6.088 18.612 1.00 0.00 C ATOM 211 CH2 TRP A 17 9.879 -6.898 19.087 1.00 0.00 C ATOM 0 H TRP A 17 10.557 -4.843 12.318 1.00 0.00 H new ATOM 0 HA TRP A 17 8.558 -5.578 14.207 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.593 -3.371 13.896 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.355 -3.170 15.120 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.506 -5.059 14.367 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.129 -6.638 16.316 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.174 -4.753 17.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 11.878 -7.617 18.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.917 -6.014 19.172 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.760 -7.446 20.010 1.00 0.00 H new ATOM 222 N LYS A 18 6.597 -4.015 13.965 1.00 0.00 N ATOM 223 CA LYS A 18 5.399 -3.178 13.674 1.00 0.00 C ATOM 224 C LYS A 18 4.860 -2.588 14.979 1.00 0.00 C ATOM 225 O LYS A 18 4.997 -3.169 16.037 1.00 0.00 O ATOM 226 CB LYS A 18 4.319 -4.043 13.022 1.00 0.00 C ATOM 227 CG LYS A 18 4.861 -4.646 11.724 1.00 0.00 C ATOM 228 CD LYS A 18 4.863 -3.579 10.627 1.00 0.00 C ATOM 229 CE LYS A 18 5.350 -4.197 9.315 1.00 0.00 C ATOM 230 NZ LYS A 18 5.363 -3.155 8.250 1.00 0.00 N ATOM 0 H LYS A 18 6.467 -4.724 14.687 1.00 0.00 H new ATOM 0 HA LYS A 18 5.676 -2.370 12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.013 -4.836 13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.434 -3.442 12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.871 -5.024 11.880 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.247 -5.494 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.860 -3.172 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.510 -2.750 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.350 -4.612 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.698 -5.021 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.694 -3.575 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.402 -2.779 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.002 -2.383 8.528 1.00 0.00 H new ATOM 244 N LYS A 19 4.249 -1.437 14.913 1.00 0.00 N ATOM 245 CA LYS A 19 3.708 -0.808 16.151 1.00 0.00 C ATOM 246 C LYS A 19 2.269 -0.353 15.905 1.00 0.00 C ATOM 247 O LYS A 19 1.933 0.131 14.843 1.00 0.00 O ATOM 248 CB LYS A 19 4.569 0.401 16.527 1.00 0.00 C ATOM 249 CG LYS A 19 3.913 1.154 17.685 1.00 0.00 C ATOM 250 CD LYS A 19 3.173 2.379 17.143 1.00 0.00 C ATOM 251 CE LYS A 19 4.160 3.533 16.961 1.00 0.00 C ATOM 252 NZ LYS A 19 3.450 4.707 16.379 1.00 0.00 N ATOM 0 H LYS A 19 4.101 -0.905 14.055 1.00 0.00 H new ATOM 0 HA LYS A 19 3.725 -1.533 16.965 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.569 0.074 16.812 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.682 1.062 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.218 0.499 18.211 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.669 1.463 18.407 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.699 2.139 16.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.379 2.671 17.830 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.603 3.801 17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.977 3.227 16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.066 5.544 16.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.210 4.510 15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.578 4.887 16.917 1.00 0.00 H new ATOM 266 N GLU A 20 1.415 -0.502 16.881 1.00 0.00 N ATOM 267 CA GLU A 20 0.002 -0.060 16.710 1.00 0.00 C ATOM 268 C GLU A 20 -0.338 0.980 17.780 1.00 0.00 C ATOM 269 O GLU A 20 0.273 1.030 18.827 1.00 0.00 O ATOM 270 CB GLU A 20 -0.930 -1.265 16.853 1.00 0.00 C ATOM 271 CG GLU A 20 -2.367 -0.839 16.543 1.00 0.00 C ATOM 272 CD GLU A 20 -2.476 -0.446 15.068 1.00 0.00 C ATOM 273 OE1 GLU A 20 -1.631 -0.874 14.298 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.401 0.275 14.734 1.00 0.00 O ATOM 0 H GLU A 20 1.635 -0.911 17.789 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.125 0.381 15.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.621 -2.060 16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.869 -1.667 17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.055 -1.655 16.765 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.653 0.001 17.176 1.00 0.00 H new ATOM 281 N GLU A 21 -1.312 1.810 17.523 1.00 0.00 N ATOM 282 CA GLU A 21 -1.699 2.837 18.531 1.00 0.00 C ATOM 283 C GLU A 21 -3.203 2.751 18.797 1.00 0.00 C ATOM 284 O GLU A 21 -4.012 3.070 17.949 1.00 0.00 O ATOM 285 CB GLU A 21 -1.354 4.230 17.999 1.00 0.00 C ATOM 286 CG GLU A 21 -1.663 5.277 19.070 1.00 0.00 C ATOM 287 CD GLU A 21 -1.275 6.665 18.557 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.059 6.793 17.363 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.198 7.574 19.366 1.00 0.00 O ATOM 0 H GLU A 21 -1.856 1.821 16.660 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.156 2.657 19.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.300 4.275 17.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.928 4.438 17.096 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.724 5.254 19.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.115 5.050 19.984 1.00 0.00 H new ATOM 296 N VAL A 22 -3.584 2.324 19.970 1.00 0.00 N ATOM 297 CA VAL A 22 -5.036 2.195 20.280 1.00 0.00 C ATOM 298 C VAL A 22 -5.472 3.362 21.169 1.00 0.00 C ATOM 299 O VAL A 22 -4.859 3.649 22.178 1.00 0.00 O ATOM 300 CB VAL A 22 -5.286 0.876 21.012 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.755 0.793 21.430 1.00 0.00 C ATOM 302 CG2 VAL A 22 -4.957 -0.293 20.081 1.00 0.00 C ATOM 0 H VAL A 22 -2.953 2.059 20.726 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.609 2.210 19.353 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.653 0.828 21.898 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.932 -0.148 21.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.992 1.626 22.092 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.389 0.842 20.544 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.135 -1.234 20.602 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.591 -0.243 19.196 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.911 -0.236 19.781 1.00 0.00 H new ATOM 312 N ILE A 23 -6.527 4.038 20.803 1.00 0.00 N ATOM 313 CA ILE A 23 -6.999 5.185 21.627 1.00 0.00 C ATOM 314 C ILE A 23 -8.267 4.783 22.381 1.00 0.00 C ATOM 315 O ILE A 23 -9.084 4.033 21.885 1.00 0.00 O ATOM 316 CB ILE A 23 -7.303 6.377 20.717 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.031 6.783 19.969 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.795 7.553 21.562 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.388 7.762 18.849 1.00 0.00 C ATOM 0 H ILE A 23 -7.082 3.845 19.969 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.224 5.462 22.341 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.075 6.099 19.999 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.323 7.244 20.658 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.543 5.901 19.554 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.011 8.402 20.913 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.700 7.264 22.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.024 7.833 22.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.482 8.051 18.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.080 7.285 18.155 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.856 8.649 19.276 1.00 0.00 H new ATOM 331 N ARG A 24 -8.438 5.275 23.578 1.00 0.00 N ATOM 332 CA ARG A 24 -9.648 4.910 24.368 1.00 0.00 C ATOM 333 C ARG A 24 -10.877 4.928 23.457 1.00 0.00 C ATOM 334 O ARG A 24 -11.273 5.960 22.953 1.00 0.00 O ATOM 335 CB ARG A 24 -9.840 5.919 25.502 1.00 0.00 C ATOM 336 CG ARG A 24 -8.648 5.845 26.459 1.00 0.00 C ATOM 337 CD ARG A 24 -8.902 4.763 27.510 1.00 0.00 C ATOM 338 NE ARG A 24 -7.679 4.579 28.340 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.756 3.960 29.486 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.902 3.496 29.901 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.686 3.805 30.217 1.00 0.00 N ATOM 0 H ARG A 24 -7.792 5.914 24.043 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.521 3.912 24.787 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.931 6.926 25.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.765 5.707 26.039 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.737 5.621 25.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.497 6.809 26.944 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.744 5.046 28.142 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.169 3.825 27.024 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.782 4.937 28.013 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.738 3.617 29.330 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.962 3.012 30.797 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.790 4.168 29.892 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.746 3.321 31.113 1.00 0.00 H new ATOM 355 N LYS A 25 -11.483 3.793 23.241 1.00 0.00 N ATOM 356 CA LYS A 25 -12.685 3.745 22.363 1.00 0.00 C ATOM 357 C LYS A 25 -13.921 4.159 23.167 1.00 0.00 C ATOM 358 O LYS A 25 -14.860 4.718 22.636 1.00 0.00 O ATOM 359 CB LYS A 25 -12.875 2.322 21.834 1.00 0.00 C ATOM 360 CG LYS A 25 -11.726 1.972 20.887 1.00 0.00 C ATOM 361 CD LYS A 25 -11.923 0.554 20.347 1.00 0.00 C ATOM 362 CE LYS A 25 -10.786 0.212 19.381 1.00 0.00 C ATOM 363 NZ LYS A 25 -10.956 -1.185 18.890 1.00 0.00 N ATOM 0 H LYS A 25 -11.197 2.897 23.635 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.550 4.429 21.525 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.905 1.615 22.663 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.828 2.241 21.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.690 2.685 20.063 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.773 2.043 21.412 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.942 -0.160 21.170 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.883 0.478 19.837 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.786 0.907 18.541 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.824 0.318 19.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.184 -1.419 18.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.935 -1.841 19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.868 -1.271 18.397 1.00 0.00 H new ATOM 377 N SER A 26 -13.927 3.889 24.444 1.00 0.00 N ATOM 378 CA SER A 26 -15.111 4.246 25.275 1.00 0.00 C ATOM 379 C SER A 26 -14.653 5.037 26.503 1.00 0.00 C ATOM 380 O SER A 26 -13.535 4.901 26.959 1.00 0.00 O ATOM 381 CB SER A 26 -15.820 2.970 25.726 1.00 0.00 C ATOM 382 OG SER A 26 -17.055 3.312 26.340 1.00 0.00 O ATOM 0 H SER A 26 -13.164 3.437 24.947 1.00 0.00 H new ATOM 0 HA SER A 26 -15.798 4.855 24.687 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.994 2.316 24.872 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.192 2.420 26.427 1.00 0.00 H new ATOM 0 HG SER A 26 -17.514 2.496 26.629 1.00 0.00 H new ATOM 388 N GLY A 27 -15.508 5.861 27.041 1.00 0.00 N ATOM 389 CA GLY A 27 -15.122 6.660 28.239 1.00 0.00 C ATOM 390 C GLY A 27 -14.959 8.128 27.844 1.00 0.00 C ATOM 391 O GLY A 27 -14.403 8.445 26.811 1.00 0.00 O ATOM 0 H GLY A 27 -16.458 6.016 26.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.883 6.563 29.014 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.190 6.280 28.658 1.00 0.00 H new ATOM 395 N LEU A 28 -15.440 9.029 28.657 1.00 0.00 N ATOM 396 CA LEU A 28 -15.317 10.476 28.322 1.00 0.00 C ATOM 397 C LEU A 28 -13.844 10.886 28.365 1.00 0.00 C ATOM 398 O LEU A 28 -13.398 11.714 27.595 1.00 0.00 O ATOM 399 CB LEU A 28 -16.107 11.303 29.340 1.00 0.00 C ATOM 400 CG LEU A 28 -16.457 12.661 28.731 1.00 0.00 C ATOM 401 CD1 LEU A 28 -15.174 13.386 28.326 1.00 0.00 C ATOM 402 CD2 LEU A 28 -17.336 12.454 27.496 1.00 0.00 C ATOM 0 H LEU A 28 -15.912 8.826 29.538 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.714 10.653 27.322 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.017 10.775 29.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.519 11.440 30.248 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.995 13.260 29.466 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.425 14.354 27.892 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.547 13.534 29.205 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.634 12.788 27.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.586 13.422 27.061 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.797 11.855 26.762 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -18.252 11.938 27.784 1.00 0.00 H new ATOM 414 N SER A 29 -13.085 10.314 29.258 1.00 0.00 N ATOM 415 CA SER A 29 -11.642 10.673 29.350 1.00 0.00 C ATOM 416 C SER A 29 -10.945 10.334 28.031 1.00 0.00 C ATOM 417 O SER A 29 -9.755 10.096 27.988 1.00 0.00 O ATOM 418 CB SER A 29 -10.991 9.884 30.487 1.00 0.00 C ATOM 419 OG SER A 29 -11.036 8.497 30.181 1.00 0.00 O ATOM 0 H SER A 29 -13.402 9.613 29.928 1.00 0.00 H new ATOM 0 HA SER A 29 -11.547 11.741 29.547 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.958 10.205 30.623 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.511 10.078 31.425 1.00 0.00 H new ATOM 0 HG SER A 29 -10.618 7.988 30.907 1.00 0.00 H new ATOM 425 N ALA A 30 -11.679 10.309 26.952 1.00 0.00 N ATOM 426 CA ALA A 30 -11.064 9.962 25.640 1.00 0.00 C ATOM 427 C ALA A 30 -9.824 10.830 25.412 1.00 0.00 C ATOM 428 O ALA A 30 -9.766 11.968 25.834 1.00 0.00 O ATOM 429 CB ALA A 30 -12.075 10.214 24.520 1.00 0.00 C ATOM 0 H ALA A 30 -12.678 10.514 26.923 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.777 8.911 25.641 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.625 9.960 23.560 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.958 9.596 24.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.363 11.265 24.519 1.00 0.00 H new ATOM 435 N GLY A 31 -8.833 10.302 24.749 1.00 0.00 N ATOM 436 CA GLY A 31 -7.596 11.096 24.499 1.00 0.00 C ATOM 437 C GLY A 31 -6.373 10.293 24.944 1.00 0.00 C ATOM 438 O GLY A 31 -5.284 10.470 24.436 1.00 0.00 O ATOM 0 H GLY A 31 -8.825 9.355 24.369 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.517 11.341 23.440 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.641 12.040 25.042 1.00 0.00 H new ATOM 442 N LYS A 32 -6.543 9.408 25.888 1.00 0.00 N ATOM 443 CA LYS A 32 -5.399 8.565 26.335 1.00 0.00 C ATOM 444 C LYS A 32 -5.196 7.416 25.345 1.00 0.00 C ATOM 445 O LYS A 32 -6.141 6.823 24.864 1.00 0.00 O ATOM 446 CB LYS A 32 -5.696 7.996 27.724 1.00 0.00 C ATOM 447 CG LYS A 32 -5.336 9.035 28.789 1.00 0.00 C ATOM 448 CD LYS A 32 -6.431 10.101 28.853 1.00 0.00 C ATOM 449 CE LYS A 32 -6.109 11.096 29.969 1.00 0.00 C ATOM 450 NZ LYS A 32 -7.190 12.119 30.051 1.00 0.00 N ATOM 0 H LYS A 32 -7.425 9.233 26.369 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.495 9.172 26.378 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.750 7.730 27.802 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.124 7.082 27.884 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.226 8.553 29.760 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.378 9.497 28.552 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.504 10.621 27.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.398 9.633 29.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.016 10.573 30.921 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.151 11.579 29.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.971 12.796 30.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.258 12.625 29.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.096 11.651 30.255 1.00 0.00 H new ATOM 464 N SER A 33 -3.969 7.095 25.038 1.00 0.00 N ATOM 465 CA SER A 33 -3.706 6.021 24.040 1.00 0.00 C ATOM 466 C SER A 33 -2.542 5.153 24.518 1.00 0.00 C ATOM 467 O SER A 33 -1.739 5.566 25.331 1.00 0.00 O ATOM 468 CB SER A 33 -3.353 6.652 22.693 1.00 0.00 C ATOM 469 OG SER A 33 -3.443 5.664 21.674 1.00 0.00 O ATOM 0 H SER A 33 -3.137 7.531 25.436 1.00 0.00 H new ATOM 0 HA SER A 33 -4.597 5.403 23.929 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.031 7.478 22.476 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.346 7.067 22.725 1.00 0.00 H new ATOM 0 HG SER A 33 -3.760 4.822 22.062 1.00 0.00 H new ATOM 475 N ASP A 34 -2.442 3.951 24.019 1.00 0.00 N ATOM 476 CA ASP A 34 -1.314 3.065 24.426 1.00 0.00 C ATOM 477 C ASP A 34 -0.609 2.532 23.178 1.00 0.00 C ATOM 478 O ASP A 34 -1.229 2.276 22.165 1.00 0.00 O ATOM 479 CB ASP A 34 -1.856 1.893 25.247 1.00 0.00 C ATOM 480 CG ASP A 34 -0.691 1.042 25.752 1.00 0.00 C ATOM 481 OD1 ASP A 34 0.429 1.305 25.348 1.00 0.00 O ATOM 482 OD2 ASP A 34 -0.938 0.139 26.536 1.00 0.00 O ATOM 0 H ASP A 34 -3.093 3.544 23.347 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.605 3.633 25.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.441 2.264 26.089 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.525 1.287 24.637 1.00 0.00 H new ATOM 487 N VAL A 35 0.683 2.361 23.242 1.00 0.00 N ATOM 488 CA VAL A 35 1.431 1.885 22.045 1.00 0.00 C ATOM 489 C VAL A 35 1.778 0.404 22.215 1.00 0.00 C ATOM 490 O VAL A 35 2.362 0.002 23.201 1.00 0.00 O ATOM 491 CB VAL A 35 2.720 2.695 21.893 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.593 2.068 20.805 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.373 4.133 21.500 1.00 0.00 C ATOM 0 H VAL A 35 1.252 2.530 24.071 1.00 0.00 H new ATOM 0 HA VAL A 35 0.813 2.014 21.156 1.00 0.00 H new ATOM 0 HB VAL A 35 3.262 2.695 22.838 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.511 2.646 20.697 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.840 1.043 21.082 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.051 2.068 19.859 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.290 4.712 21.391 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.831 4.131 20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.751 4.582 22.274 1.00 0.00 H new ATOM 503 N TYR A 36 1.420 -0.412 21.260 1.00 0.00 N ATOM 504 CA TYR A 36 1.761 -1.859 21.350 1.00 0.00 C ATOM 505 C TYR A 36 2.801 -2.205 20.282 1.00 0.00 C ATOM 506 O TYR A 36 2.824 -1.625 19.214 1.00 0.00 O ATOM 507 CB TYR A 36 0.501 -2.696 21.122 1.00 0.00 C ATOM 508 CG TYR A 36 -0.496 -2.412 22.220 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.392 -1.343 22.094 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.525 -3.219 23.365 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.317 -1.081 23.113 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.450 -2.956 24.383 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.346 -1.887 24.256 1.00 0.00 C ATOM 514 OH TYR A 36 -3.256 -1.628 25.261 1.00 0.00 O ATOM 0 H TYR A 36 0.906 -0.138 20.422 1.00 0.00 H new ATOM 0 HA TYR A 36 2.167 -2.075 22.338 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.066 -2.461 20.151 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.753 -3.756 21.110 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.370 -0.721 21.212 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.166 -4.044 23.462 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.008 -0.257 23.016 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.472 -3.577 25.266 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.853 -1.025 25.920 1.00 0.00 H new ATOM 524 N TYR A 37 3.663 -3.144 20.561 1.00 0.00 N ATOM 525 CA TYR A 37 4.721 -3.501 19.574 1.00 0.00 C ATOM 526 C TYR A 37 4.616 -4.988 19.229 1.00 0.00 C ATOM 527 O TYR A 37 4.465 -5.827 20.094 1.00 0.00 O ATOM 528 CB TYR A 37 6.098 -3.214 20.177 1.00 0.00 C ATOM 529 CG TYR A 37 6.257 -1.727 20.384 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.605 -0.903 19.307 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.056 -1.171 21.653 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.752 0.476 19.498 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.204 0.208 21.845 1.00 0.00 C ATOM 534 CZ TYR A 37 6.552 1.031 20.768 1.00 0.00 C ATOM 535 OH TYR A 37 6.696 2.391 20.956 1.00 0.00 O ATOM 0 H TYR A 37 3.680 -3.679 21.429 1.00 0.00 H new ATOM 0 HA TYR A 37 4.589 -2.908 18.669 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.207 -3.738 21.127 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.881 -3.586 19.516 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.760 -1.332 18.328 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.787 -1.806 22.484 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.019 1.111 18.667 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.050 0.637 22.824 1.00 0.00 H new ATOM 0 HH TYR A 37 6.373 2.867 20.162 1.00 0.00 H new ATOM 545 N PHE A 38 4.693 -5.320 17.970 1.00 0.00 N ATOM 546 CA PHE A 38 4.613 -6.753 17.571 1.00 0.00 C ATOM 547 C PHE A 38 5.940 -7.184 16.942 1.00 0.00 C ATOM 548 O PHE A 38 6.474 -6.517 16.079 1.00 0.00 O ATOM 549 CB PHE A 38 3.485 -6.938 16.554 1.00 0.00 C ATOM 550 CG PHE A 38 2.160 -6.621 17.208 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.739 -5.292 17.328 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.354 -7.657 17.694 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.512 -4.997 17.934 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.127 -7.364 18.301 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.294 -6.034 18.421 1.00 0.00 C ATOM 0 H PHE A 38 4.808 -4.661 17.200 1.00 0.00 H new ATOM 0 HA PHE A 38 4.413 -7.363 18.452 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.644 -6.285 15.696 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.482 -7.962 16.180 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.361 -4.493 16.953 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.679 -8.683 17.601 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.187 -3.971 18.026 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.495 -8.163 18.677 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.241 -5.808 18.889 1.00 0.00 H new ATOM 565 N SER A 39 6.476 -8.294 17.370 1.00 0.00 N ATOM 566 CA SER A 39 7.769 -8.765 16.797 1.00 0.00 C ATOM 567 C SER A 39 7.502 -9.882 15.786 1.00 0.00 C ATOM 568 O SER A 39 6.397 -10.374 15.670 1.00 0.00 O ATOM 569 CB SER A 39 8.660 -9.295 17.921 1.00 0.00 C ATOM 570 OG SER A 39 8.578 -10.715 17.955 1.00 0.00 O ATOM 0 H SER A 39 6.075 -8.895 18.091 1.00 0.00 H new ATOM 0 HA SER A 39 8.270 -7.936 16.297 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.692 -8.982 17.761 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.345 -8.878 18.878 1.00 0.00 H new ATOM 0 HG SER A 39 9.253 -11.067 18.573 1.00 0.00 H new ATOM 576 N PRO A 40 8.514 -10.277 15.064 1.00 0.00 N ATOM 577 CA PRO A 40 8.407 -11.366 14.051 1.00 0.00 C ATOM 578 C PRO A 40 7.866 -12.666 14.654 1.00 0.00 C ATOM 579 O PRO A 40 7.311 -13.497 13.964 1.00 0.00 O ATOM 580 CB PRO A 40 9.846 -11.557 13.572 1.00 0.00 C ATOM 581 CG PRO A 40 10.540 -10.269 13.873 1.00 0.00 C ATOM 582 CD PRO A 40 9.875 -9.724 15.133 1.00 0.00 C ATOM 0 HA PRO A 40 7.712 -11.110 13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.324 -12.390 14.087 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.878 -11.781 12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.607 -10.427 14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.441 -9.568 13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.395 -10.048 16.034 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.866 -8.634 15.144 1.00 0.00 H new ATOM 590 N SER A 41 8.024 -12.847 15.936 1.00 0.00 N ATOM 591 CA SER A 41 7.519 -14.092 16.581 1.00 0.00 C ATOM 592 C SER A 41 6.015 -13.966 16.826 1.00 0.00 C ATOM 593 O SER A 41 5.390 -14.848 17.383 1.00 0.00 O ATOM 594 CB SER A 41 8.237 -14.303 17.914 1.00 0.00 C ATOM 595 OG SER A 41 7.825 -13.301 18.834 1.00 0.00 O ATOM 0 H SER A 41 8.481 -12.187 16.565 1.00 0.00 H new ATOM 0 HA SER A 41 7.710 -14.943 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.009 -15.292 18.310 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.316 -14.259 17.770 1.00 0.00 H new ATOM 0 HG SER A 41 7.985 -12.415 18.446 1.00 0.00 H new ATOM 601 N GLY A 42 5.426 -12.876 16.414 1.00 0.00 N ATOM 602 CA GLY A 42 3.960 -12.700 16.612 1.00 0.00 C ATOM 603 C GLY A 42 3.668 -12.452 18.092 1.00 0.00 C ATOM 604 O GLY A 42 2.529 -12.387 18.509 1.00 0.00 O ATOM 0 H GLY A 42 5.897 -12.100 15.949 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.600 -11.862 16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.428 -13.587 16.270 1.00 0.00 H new ATOM 608 N LYS A 43 4.690 -12.312 18.892 1.00 0.00 N ATOM 609 CA LYS A 43 4.471 -12.070 20.346 1.00 0.00 C ATOM 610 C LYS A 43 4.053 -10.614 20.563 1.00 0.00 C ATOM 611 O LYS A 43 4.555 -9.712 19.922 1.00 0.00 O ATOM 612 CB LYS A 43 5.767 -12.349 21.111 1.00 0.00 C ATOM 613 CG LYS A 43 5.585 -11.966 22.580 1.00 0.00 C ATOM 614 CD LYS A 43 4.455 -12.797 23.190 1.00 0.00 C ATOM 615 CE LYS A 43 4.576 -12.786 24.714 1.00 0.00 C ATOM 616 NZ LYS A 43 4.622 -11.378 25.199 1.00 0.00 N ATOM 0 H LYS A 43 5.667 -12.355 18.601 1.00 0.00 H new ATOM 0 HA LYS A 43 3.685 -12.732 20.710 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.030 -13.404 21.029 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.589 -11.781 20.675 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.512 -12.136 23.128 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.355 -10.904 22.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.489 -12.392 22.889 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.501 -13.821 22.819 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.730 -13.308 25.160 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.477 -13.317 25.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.073 -11.296 26.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.609 -11.105 25.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.216 -10.749 24.477 1.00 0.00 H new ATOM 630 N LYS A 44 3.138 -10.378 21.463 1.00 0.00 N ATOM 631 CA LYS A 44 2.683 -8.981 21.715 1.00 0.00 C ATOM 632 C LYS A 44 3.487 -8.384 22.871 1.00 0.00 C ATOM 633 O LYS A 44 3.814 -9.060 23.826 1.00 0.00 O ATOM 634 CB LYS A 44 1.197 -8.986 22.075 1.00 0.00 C ATOM 635 CG LYS A 44 0.731 -7.554 22.346 1.00 0.00 C ATOM 636 CD LYS A 44 -0.751 -7.561 22.721 1.00 0.00 C ATOM 637 CE LYS A 44 -1.580 -7.050 21.541 1.00 0.00 C ATOM 638 NZ LYS A 44 -1.202 -5.640 21.241 1.00 0.00 N ATOM 0 H LYS A 44 2.686 -11.092 22.035 1.00 0.00 H new ATOM 0 HA LYS A 44 2.837 -8.381 20.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.617 -9.420 21.261 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.027 -9.607 22.954 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.319 -7.116 23.153 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.890 -6.935 21.463 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.064 -8.570 22.989 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.918 -6.932 23.596 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.411 -7.677 20.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.643 -7.111 21.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.046 -5.110 20.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.799 -5.200 22.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.497 -5.625 20.477 1.00 0.00 H new ATOM 652 N PHE A 45 3.808 -7.121 22.794 1.00 0.00 N ATOM 653 CA PHE A 45 4.593 -6.484 23.889 1.00 0.00 C ATOM 654 C PHE A 45 3.925 -5.170 24.297 1.00 0.00 C ATOM 655 O PHE A 45 3.143 -4.605 23.559 1.00 0.00 O ATOM 656 CB PHE A 45 6.016 -6.203 23.400 1.00 0.00 C ATOM 657 CG PHE A 45 6.662 -7.495 22.963 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.405 -8.010 21.686 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.519 -8.178 23.833 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.006 -9.208 21.281 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.120 -9.376 23.428 1.00 0.00 C ATOM 662 CZ PHE A 45 7.863 -9.891 22.152 1.00 0.00 C ATOM 0 H PHE A 45 3.561 -6.503 22.021 1.00 0.00 H new ATOM 0 HA PHE A 45 4.630 -7.155 24.747 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.994 -5.496 22.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.601 -5.742 24.196 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.744 -7.483 21.014 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.717 -7.781 24.818 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.808 -9.605 20.296 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.782 -9.903 24.100 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.326 -10.815 21.839 1.00 0.00 H new ATOM 672 N ARG A 46 4.228 -4.678 25.467 1.00 0.00 N ATOM 673 CA ARG A 46 3.602 -3.407 25.926 1.00 0.00 C ATOM 674 C ARG A 46 4.579 -2.658 26.836 1.00 0.00 C ATOM 675 O ARG A 46 5.035 -3.179 27.835 1.00 0.00 O ATOM 676 CB ARG A 46 2.321 -3.718 26.700 1.00 0.00 C ATOM 677 CG ARG A 46 1.512 -2.434 26.889 1.00 0.00 C ATOM 678 CD ARG A 46 0.251 -2.738 27.702 1.00 0.00 C ATOM 679 NE ARG A 46 0.638 -3.151 29.080 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.272 -3.247 30.011 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.519 -2.980 29.734 1.00 0.00 N ATOM 682 NH2 ARG A 46 0.066 -3.608 31.219 1.00 0.00 N ATOM 0 H ARG A 46 4.882 -5.102 26.125 1.00 0.00 H new ATOM 0 HA ARG A 46 3.362 -2.788 25.062 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.729 -4.457 26.161 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.566 -4.152 27.670 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.115 -1.684 27.401 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.240 -2.017 25.919 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.391 -1.858 27.741 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.323 -3.530 27.221 1.00 0.00 H new ATOM 0 HE ARG A 46 1.613 -3.359 29.296 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.782 -2.696 28.790 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.230 -3.055 30.461 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.041 -3.815 31.435 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.645 -3.683 31.947 1.00 0.00 H new ATOM 696 N SER A 47 4.903 -1.440 26.500 1.00 0.00 N ATOM 697 CA SER A 47 5.802 -0.638 27.378 1.00 0.00 C ATOM 698 C SER A 47 7.246 -0.781 26.895 1.00 0.00 C ATOM 699 O SER A 47 7.622 -1.781 26.317 1.00 0.00 O ATOM 700 CB SER A 47 5.692 -1.144 28.816 1.00 0.00 C ATOM 701 OG SER A 47 6.529 -2.282 28.979 1.00 0.00 O ATOM 0 H SER A 47 4.584 -0.965 25.655 1.00 0.00 H new ATOM 0 HA SER A 47 5.509 0.411 27.339 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.986 -0.359 29.513 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.658 -1.403 29.045 1.00 0.00 H new ATOM 0 HG SER A 47 6.237 -2.993 28.371 1.00 0.00 H new ATOM 707 N LYS A 48 8.060 0.212 27.128 1.00 0.00 N ATOM 708 CA LYS A 48 9.481 0.132 26.683 1.00 0.00 C ATOM 709 C LYS A 48 10.185 -1.007 27.423 1.00 0.00 C ATOM 710 O LYS A 48 10.856 -1.825 26.826 1.00 0.00 O ATOM 711 CB LYS A 48 10.185 1.454 26.991 1.00 0.00 C ATOM 712 CG LYS A 48 11.700 1.236 26.998 1.00 0.00 C ATOM 713 CD LYS A 48 12.409 2.569 26.749 1.00 0.00 C ATOM 714 CE LYS A 48 13.834 2.502 27.301 1.00 0.00 C ATOM 715 NZ LYS A 48 13.787 2.233 28.766 1.00 0.00 N ATOM 0 H LYS A 48 7.803 1.075 27.607 1.00 0.00 H new ATOM 0 HA LYS A 48 9.516 -0.057 25.610 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.918 2.203 26.245 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.857 1.836 27.958 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.014 0.818 27.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.978 0.515 26.229 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.432 2.787 25.681 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.860 3.380 27.228 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.395 1.717 26.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.354 3.440 27.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.622 2.653 29.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.924 2.652 29.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.782 1.206 28.930 1.00 0.00 H new ATOM 729 N PRO A 49 10.030 -1.053 28.719 1.00 0.00 N ATOM 730 CA PRO A 49 10.663 -2.099 29.572 1.00 0.00 C ATOM 731 C PRO A 49 10.353 -3.516 29.081 1.00 0.00 C ATOM 732 O PRO A 49 11.166 -4.412 29.190 1.00 0.00 O ATOM 733 CB PRO A 49 10.048 -1.864 30.951 1.00 0.00 C ATOM 734 CG PRO A 49 8.892 -0.945 30.720 1.00 0.00 C ATOM 735 CD PRO A 49 9.230 -0.107 29.511 1.00 0.00 C ATOM 0 HA PRO A 49 11.750 -2.025 29.562 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.721 -2.802 31.400 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.773 -1.420 31.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.976 -1.512 30.553 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.721 -0.313 31.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.339 0.224 28.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.794 0.787 29.775 1.00 0.00 H new ATOM 743 N GLN A 50 9.183 -3.725 28.542 1.00 0.00 N ATOM 744 CA GLN A 50 8.827 -5.081 28.036 1.00 0.00 C ATOM 745 C GLN A 50 9.583 -5.357 26.734 1.00 0.00 C ATOM 746 O GLN A 50 10.203 -6.389 26.573 1.00 0.00 O ATOM 747 CB GLN A 50 7.321 -5.148 27.775 1.00 0.00 C ATOM 748 CG GLN A 50 6.892 -6.610 27.637 1.00 0.00 C ATOM 749 CD GLN A 50 7.019 -7.308 28.993 1.00 0.00 C ATOM 750 OE1 GLN A 50 6.985 -6.668 30.025 1.00 0.00 O ATOM 751 NE2 GLN A 50 7.163 -8.605 29.034 1.00 0.00 N ATOM 0 H GLN A 50 8.459 -3.016 28.430 1.00 0.00 H new ATOM 0 HA GLN A 50 9.102 -5.829 28.780 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.778 -4.674 28.593 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.074 -4.598 26.867 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.863 -6.666 27.282 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.513 -7.114 26.897 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.192 -9.143 28.168 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.247 -9.081 29.932 1.00 0.00 H new ATOM 760 N LEU A 51 9.535 -4.443 25.804 1.00 0.00 N ATOM 761 CA LEU A 51 10.274 -4.642 24.525 1.00 0.00 C ATOM 762 C LEU A 51 11.779 -4.644 24.800 1.00 0.00 C ATOM 763 O LEU A 51 12.516 -5.447 24.263 1.00 0.00 O ATOM 764 CB LEU A 51 9.932 -3.506 23.558 1.00 0.00 C ATOM 765 CG LEU A 51 10.010 -4.020 22.120 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.367 -4.688 21.889 1.00 0.00 C ATOM 767 CD2 LEU A 51 8.896 -5.041 21.883 1.00 0.00 C ATOM 0 H LEU A 51 9.016 -3.568 25.874 1.00 0.00 H new ATOM 0 HA LEU A 51 9.986 -5.595 24.082 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.932 -3.126 23.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.624 -2.675 23.697 1.00 0.00 H new ATOM 0 HG LEU A 51 9.893 -3.185 21.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.422 -5.054 20.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.163 -3.963 22.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.484 -5.523 22.580 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.951 -5.408 20.858 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.014 -5.876 22.574 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.928 -4.568 22.048 1.00 0.00 H new ATOM 779 N ALA A 52 12.243 -3.749 25.629 1.00 0.00 N ATOM 780 CA ALA A 52 13.701 -3.695 25.930 1.00 0.00 C ATOM 781 C ALA A 52 14.163 -5.051 26.468 1.00 0.00 C ATOM 782 O ALA A 52 15.218 -5.543 26.116 1.00 0.00 O ATOM 783 CB ALA A 52 13.965 -2.615 26.981 1.00 0.00 C ATOM 0 H ALA A 52 11.675 -3.053 26.111 1.00 0.00 H new ATOM 0 HA ALA A 52 14.250 -3.459 25.019 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.032 -2.575 27.202 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.637 -1.648 26.599 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.415 -2.851 27.892 1.00 0.00 H new ATOM 789 N ARG A 53 13.385 -5.658 27.320 1.00 0.00 N ATOM 790 CA ARG A 53 13.777 -6.984 27.875 1.00 0.00 C ATOM 791 C ARG A 53 13.839 -8.014 26.745 1.00 0.00 C ATOM 792 O ARG A 53 14.710 -8.861 26.712 1.00 0.00 O ATOM 793 CB ARG A 53 12.742 -7.427 28.913 1.00 0.00 C ATOM 794 CG ARG A 53 13.199 -8.735 29.560 1.00 0.00 C ATOM 795 CD ARG A 53 12.191 -9.156 30.630 1.00 0.00 C ATOM 796 NE ARG A 53 12.741 -10.304 31.405 1.00 0.00 N ATOM 797 CZ ARG A 53 12.951 -11.448 30.815 1.00 0.00 C ATOM 798 NH1 ARG A 53 12.687 -11.585 29.543 1.00 0.00 N ATOM 799 NH2 ARG A 53 13.427 -12.455 31.494 1.00 0.00 N ATOM 0 H ARG A 53 12.494 -5.293 27.656 1.00 0.00 H new ATOM 0 HA ARG A 53 14.756 -6.905 28.347 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.620 -6.656 29.673 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.770 -7.563 28.439 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.289 -9.515 28.804 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.186 -8.607 30.005 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.982 -8.320 31.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.246 -9.437 30.165 1.00 0.00 H new ATOM 0 HE ARG A 53 12.953 -10.195 32.397 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.317 -10.797 29.011 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.851 -12.480 29.082 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.635 -12.348 32.487 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.591 -13.350 31.032 1.00 0.00 H new ATOM 813 N TYR A 54 12.924 -7.952 25.818 1.00 0.00 N ATOM 814 CA TYR A 54 12.932 -8.931 24.696 1.00 0.00 C ATOM 815 C TYR A 54 14.201 -8.743 23.862 1.00 0.00 C ATOM 816 O TYR A 54 14.887 -9.690 23.534 1.00 0.00 O ATOM 817 CB TYR A 54 11.703 -8.706 23.813 1.00 0.00 C ATOM 818 CG TYR A 54 11.746 -9.657 22.640 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.349 -10.989 22.805 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.183 -9.207 21.389 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.388 -11.871 21.718 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.222 -10.088 20.302 1.00 0.00 C ATOM 823 CZ TYR A 54 11.825 -11.420 20.466 1.00 0.00 C ATOM 824 OH TYR A 54 11.862 -12.290 19.395 1.00 0.00 O ATOM 0 H TYR A 54 12.171 -7.265 25.789 1.00 0.00 H new ATOM 0 HA TYR A 54 12.909 -9.944 25.099 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.793 -8.865 24.391 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.680 -7.675 23.459 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.013 -11.337 23.771 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.490 -8.179 21.262 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.081 -12.899 21.845 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.558 -9.740 19.337 1.00 0.00 H new ATOM 0 HH TYR A 54 12.188 -11.817 18.601 1.00 0.00 H new ATOM 834 N LEU A 55 14.517 -7.525 23.514 1.00 0.00 N ATOM 835 CA LEU A 55 15.732 -7.279 22.688 1.00 0.00 C ATOM 836 C LEU A 55 16.985 -7.507 23.536 1.00 0.00 C ATOM 837 O LEU A 55 18.026 -7.880 23.034 1.00 0.00 O ATOM 838 CB LEU A 55 15.718 -5.836 22.178 1.00 0.00 C ATOM 839 CG LEU A 55 14.543 -5.646 21.217 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.458 -4.179 20.795 1.00 0.00 C ATOM 841 CD2 LEU A 55 14.755 -6.519 19.978 1.00 0.00 C ATOM 0 H LEU A 55 13.987 -6.691 23.766 1.00 0.00 H new ATOM 0 HA LEU A 55 15.738 -7.965 21.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.632 -5.144 23.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.656 -5.609 21.672 1.00 0.00 H new ATOM 0 HG LEU A 55 13.617 -5.934 21.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.620 -4.045 20.110 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.310 -3.555 21.676 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.383 -3.889 20.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.919 -6.385 19.291 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.681 -6.229 19.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.816 -7.566 20.276 1.00 0.00 H new ATOM 853 N GLY A 56 16.895 -7.285 24.819 1.00 0.00 N ATOM 854 CA GLY A 56 18.082 -7.492 25.696 1.00 0.00 C ATOM 855 C GLY A 56 19.133 -6.422 25.393 1.00 0.00 C ATOM 856 O GLY A 56 18.889 -5.491 24.653 1.00 0.00 O ATOM 0 H GLY A 56 16.051 -6.969 25.297 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.787 -7.440 26.744 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.500 -8.485 25.531 1.00 0.00 H new ATOM 860 N ASN A 57 20.301 -6.548 25.960 1.00 0.00 N ATOM 861 CA ASN A 57 21.366 -5.537 25.706 1.00 0.00 C ATOM 862 C ASN A 57 21.728 -5.539 24.220 1.00 0.00 C ATOM 863 O ASN A 57 22.189 -4.551 23.682 1.00 0.00 O ATOM 864 CB ASN A 57 22.605 -5.883 26.533 1.00 0.00 C ATOM 865 CG ASN A 57 23.704 -4.854 26.263 1.00 0.00 C ATOM 866 OD1 ASN A 57 23.484 -3.666 26.389 1.00 0.00 O ATOM 867 ND2 ASN A 57 24.888 -5.262 25.893 1.00 0.00 N ATOM 0 H ASN A 57 20.564 -7.307 26.588 1.00 0.00 H new ATOM 0 HA ASN A 57 21.004 -4.549 25.990 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.355 -5.894 27.594 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.958 -6.882 26.278 1.00 0.00 H new ATOM 0 HD21 ASN A 57 25.627 -4.583 25.710 1.00 0.00 H new ATOM 0 HD22 ASN A 57 25.074 -6.259 25.787 1.00 0.00 H new ATOM 874 N ALA A 58 21.524 -6.641 23.551 1.00 0.00 N ATOM 875 CA ALA A 58 21.860 -6.705 22.101 1.00 0.00 C ATOM 876 C ALA A 58 21.446 -5.397 21.424 1.00 0.00 C ATOM 877 O ALA A 58 21.986 -5.017 20.404 1.00 0.00 O ATOM 878 CB ALA A 58 21.113 -7.874 21.455 1.00 0.00 C ATOM 0 H ALA A 58 21.139 -7.499 23.946 1.00 0.00 H new ATOM 0 HA ALA A 58 22.934 -6.851 21.982 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.359 -7.921 20.394 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.408 -8.806 21.938 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.039 -7.729 21.573 1.00 0.00 H new ATOM 884 N VAL A 59 20.490 -4.706 21.982 1.00 0.00 N ATOM 885 CA VAL A 59 20.046 -3.421 21.372 1.00 0.00 C ATOM 886 C VAL A 59 19.770 -2.401 22.479 1.00 0.00 C ATOM 887 O VAL A 59 19.219 -2.726 23.512 1.00 0.00 O ATOM 888 CB VAL A 59 18.769 -3.655 20.563 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.528 -2.464 19.633 1.00 0.00 C ATOM 890 CG2 VAL A 59 18.922 -4.929 19.729 1.00 0.00 C ATOM 0 H VAL A 59 19.997 -4.976 22.834 1.00 0.00 H new ATOM 0 HA VAL A 59 20.827 -3.041 20.714 1.00 0.00 H new ATOM 0 HB VAL A 59 17.923 -3.763 21.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.618 -2.631 19.057 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.421 -1.555 20.226 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.373 -2.356 18.953 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.013 -5.097 19.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.768 -4.820 19.050 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.094 -5.778 20.390 1.00 0.00 H new ATOM 900 N ASP A 60 20.147 -1.169 22.271 1.00 0.00 N ATOM 901 CA ASP A 60 19.903 -0.130 23.311 1.00 0.00 C ATOM 902 C ASP A 60 18.701 0.726 22.906 1.00 0.00 C ATOM 903 O ASP A 60 18.712 1.384 21.885 1.00 0.00 O ATOM 904 CB ASP A 60 21.141 0.759 23.443 1.00 0.00 C ATOM 905 CG ASP A 60 22.264 -0.025 24.124 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.973 -1.062 24.698 1.00 0.00 O ATOM 907 OD2 ASP A 60 23.396 0.424 24.060 1.00 0.00 O ATOM 0 H ASP A 60 20.613 -0.837 21.426 1.00 0.00 H new ATOM 0 HA ASP A 60 19.699 -0.613 24.266 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.465 1.098 22.459 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.901 1.650 24.024 1.00 0.00 H new ATOM 912 N LEU A 61 17.665 0.721 23.699 1.00 0.00 N ATOM 913 CA LEU A 61 16.466 1.541 23.362 1.00 0.00 C ATOM 914 C LEU A 61 16.455 2.805 24.226 1.00 0.00 C ATOM 915 O LEU A 61 15.428 3.423 24.424 1.00 0.00 O ATOM 916 CB LEU A 61 15.199 0.727 23.633 1.00 0.00 C ATOM 917 CG LEU A 61 14.834 -0.080 22.387 1.00 0.00 C ATOM 918 CD1 LEU A 61 15.993 -1.012 22.025 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.581 -0.913 22.668 1.00 0.00 C ATOM 0 H LEU A 61 17.596 0.186 24.565 1.00 0.00 H new ATOM 0 HA LEU A 61 16.500 1.820 22.309 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.358 0.058 24.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.378 1.391 23.902 1.00 0.00 H new ATOM 0 HG LEU A 61 14.641 0.600 21.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.733 -1.588 21.137 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.887 -0.421 21.826 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.186 -1.692 22.855 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.320 -1.489 21.780 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.775 -1.593 23.497 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.755 -0.251 22.927 1.00 0.00 H new ATOM 931 N SER A 62 17.590 3.193 24.739 1.00 0.00 N ATOM 932 CA SER A 62 17.641 4.408 25.599 1.00 0.00 C ATOM 933 C SER A 62 17.178 5.624 24.793 1.00 0.00 C ATOM 934 O SER A 62 16.443 6.461 25.279 1.00 0.00 O ATOM 935 CB SER A 62 19.074 4.632 26.081 1.00 0.00 C ATOM 936 OG SER A 62 19.931 4.770 24.955 1.00 0.00 O ATOM 0 H SER A 62 18.484 2.721 24.600 1.00 0.00 H new ATOM 0 HA SER A 62 16.986 4.271 26.459 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.125 5.525 26.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.398 3.794 26.699 1.00 0.00 H new ATOM 0 HG SER A 62 20.851 4.916 25.260 1.00 0.00 H new ATOM 942 N CYS A 63 17.602 5.727 23.563 1.00 0.00 N ATOM 943 CA CYS A 63 17.177 6.883 22.723 1.00 0.00 C ATOM 944 C CYS A 63 15.925 6.504 21.930 1.00 0.00 C ATOM 945 O CYS A 63 15.300 7.337 21.305 1.00 0.00 O ATOM 946 CB CYS A 63 18.304 7.251 21.756 1.00 0.00 C ATOM 947 SG CYS A 63 19.819 7.583 22.689 1.00 0.00 S ATOM 0 H CYS A 63 18.224 5.061 23.104 1.00 0.00 H new ATOM 0 HA CYS A 63 16.955 7.737 23.363 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.471 6.438 21.049 1.00 0.00 H new ATOM 0 HB3 CYS A 63 18.024 8.128 21.172 1.00 0.00 H new ATOM 0 HG CYS A 63 20.015 6.631 23.552 1.00 0.00 H new ATOM 953 N PHE A 64 15.555 5.253 21.950 1.00 0.00 N ATOM 954 CA PHE A 64 14.345 4.822 21.196 1.00 0.00 C ATOM 955 C PHE A 64 13.096 5.406 21.858 1.00 0.00 C ATOM 956 O PHE A 64 12.805 5.131 23.006 1.00 0.00 O ATOM 957 CB PHE A 64 14.258 3.294 21.200 1.00 0.00 C ATOM 958 CG PHE A 64 12.935 2.863 20.615 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.684 3.038 19.248 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.960 2.289 21.438 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.456 2.638 18.706 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.732 1.890 20.896 1.00 0.00 C ATOM 963 CZ PHE A 64 10.480 2.064 19.530 1.00 0.00 C ATOM 0 H PHE A 64 16.039 4.511 22.456 1.00 0.00 H new ATOM 0 HA PHE A 64 14.412 5.179 20.168 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.079 2.871 20.621 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.358 2.916 22.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.437 3.481 18.613 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.155 2.154 22.492 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.262 2.772 17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.979 1.448 21.532 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.533 1.756 19.112 1.00 0.00 H new ATOM 973 N ASP A 65 12.355 6.209 21.146 1.00 0.00 N ATOM 974 CA ASP A 65 11.128 6.814 21.738 1.00 0.00 C ATOM 975 C ASP A 65 9.928 5.907 21.460 1.00 0.00 C ATOM 976 O ASP A 65 9.279 6.017 20.438 1.00 0.00 O ATOM 977 CB ASP A 65 10.884 8.189 21.114 1.00 0.00 C ATOM 978 CG ASP A 65 11.957 9.167 21.597 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.735 8.785 22.456 1.00 0.00 O ATOM 980 OD2 ASP A 65 11.983 10.280 21.099 1.00 0.00 O ATOM 0 H ASP A 65 12.546 6.473 20.179 1.00 0.00 H new ATOM 0 HA ASP A 65 11.260 6.923 22.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.907 8.116 20.027 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.894 8.554 21.388 1.00 0.00 H new ATOM 985 N PHE A 66 9.627 5.011 22.361 1.00 0.00 N ATOM 986 CA PHE A 66 8.470 4.097 22.146 1.00 0.00 C ATOM 987 C PHE A 66 7.190 4.922 21.997 1.00 0.00 C ATOM 988 O PHE A 66 6.376 4.672 21.129 1.00 0.00 O ATOM 989 CB PHE A 66 8.334 3.156 23.343 1.00 0.00 C ATOM 990 CG PHE A 66 7.916 3.946 24.560 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.857 4.722 25.248 1.00 0.00 C ATOM 992 CD2 PHE A 66 6.588 3.905 25.000 1.00 0.00 C ATOM 993 CE1 PHE A 66 8.470 5.455 26.376 1.00 0.00 C ATOM 994 CE2 PHE A 66 6.200 4.638 26.129 1.00 0.00 C ATOM 995 CZ PHE A 66 7.141 5.412 26.817 1.00 0.00 C ATOM 0 H PHE A 66 10.132 4.873 23.236 1.00 0.00 H new ATOM 0 HA PHE A 66 8.632 3.511 21.241 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.598 2.382 23.128 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.281 2.651 23.532 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.882 4.755 24.908 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.862 3.308 24.469 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.196 6.054 26.906 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.175 4.606 26.468 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.843 5.976 27.688 1.00 0.00 H new ATOM 1005 N ARG A 67 7.005 5.905 22.835 1.00 0.00 N ATOM 1006 CA ARG A 67 5.782 6.750 22.734 1.00 0.00 C ATOM 1007 C ARG A 67 5.496 7.059 21.264 1.00 0.00 C ATOM 1008 O ARG A 67 4.362 7.051 20.827 1.00 0.00 O ATOM 1009 CB ARG A 67 6.002 8.058 23.497 1.00 0.00 C ATOM 1010 CG ARG A 67 5.434 7.927 24.912 1.00 0.00 C ATOM 1011 CD ARG A 67 3.954 8.314 24.906 1.00 0.00 C ATOM 1012 NE ARG A 67 3.358 7.979 23.583 1.00 0.00 N ATOM 1013 CZ ARG A 67 2.064 8.030 23.418 1.00 0.00 C ATOM 1014 NH1 ARG A 67 1.293 8.373 24.413 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.542 7.735 22.259 1.00 0.00 N ATOM 0 H ARG A 67 7.648 6.159 23.585 1.00 0.00 H new ATOM 0 HA ARG A 67 4.935 6.216 23.164 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.066 8.291 23.541 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.517 8.882 22.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.552 6.904 25.269 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.986 8.570 25.598 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.426 7.785 25.699 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.845 9.380 25.106 1.00 0.00 H new ATOM 0 HE ARG A 67 3.961 7.710 22.806 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.701 8.601 25.319 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.282 8.413 24.284 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.145 7.465 21.482 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.531 7.775 22.130 1.00 0.00 H new ATOM 1029 N THR A 68 6.515 7.331 20.496 1.00 0.00 N ATOM 1030 CA THR A 68 6.300 7.649 19.056 1.00 0.00 C ATOM 1031 C THR A 68 6.585 6.405 18.211 1.00 0.00 C ATOM 1032 O THR A 68 6.087 6.260 17.113 1.00 0.00 O ATOM 1033 CB THR A 68 7.243 8.778 18.635 1.00 0.00 C ATOM 1034 OG1 THR A 68 8.528 8.554 19.199 1.00 0.00 O ATOM 1035 CG2 THR A 68 6.692 10.116 19.128 1.00 0.00 C ATOM 0 H THR A 68 7.487 7.347 20.803 1.00 0.00 H new ATOM 0 HA THR A 68 5.267 7.963 18.904 1.00 0.00 H new ATOM 0 HB THR A 68 7.322 8.800 17.548 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.183 8.428 18.481 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.365 10.919 18.828 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.707 10.286 18.694 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.611 10.098 20.215 1.00 0.00 H new ATOM 1043 N GLY A 69 7.382 5.503 18.716 1.00 0.00 N ATOM 1044 CA GLY A 69 7.683 4.261 17.950 1.00 0.00 C ATOM 1045 C GLY A 69 8.927 4.480 17.087 1.00 0.00 C ATOM 1046 O GLY A 69 9.453 3.560 16.493 1.00 0.00 O ATOM 0 H GLY A 69 7.838 5.573 19.626 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.845 3.429 18.635 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.834 3.995 17.321 1.00 0.00 H new ATOM 1050 N LYS A 70 9.402 5.693 17.013 1.00 0.00 N ATOM 1051 CA LYS A 70 10.616 5.969 16.194 1.00 0.00 C ATOM 1052 C LYS A 70 11.382 7.149 16.796 1.00 0.00 C ATOM 1053 O LYS A 70 10.799 8.128 17.219 1.00 0.00 O ATOM 1054 CB LYS A 70 10.198 6.309 14.762 1.00 0.00 C ATOM 1055 CG LYS A 70 9.384 7.605 14.762 1.00 0.00 C ATOM 1056 CD LYS A 70 8.847 7.872 13.355 1.00 0.00 C ATOM 1057 CE LYS A 70 7.465 7.234 13.205 1.00 0.00 C ATOM 1058 NZ LYS A 70 6.503 7.912 14.120 1.00 0.00 N ATOM 0 H LYS A 70 9.002 6.505 17.484 1.00 0.00 H new ATOM 0 HA LYS A 70 11.257 5.087 16.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.080 6.421 14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.607 5.496 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.558 7.528 15.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.007 8.438 15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.785 8.945 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.530 7.464 12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.124 7.319 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.516 6.170 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.566 7.954 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.436 7.378 15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.835 8.877 14.319 1.00 0.00 H new ATOM 1072 N MET A 71 12.683 7.064 16.839 1.00 0.00 N ATOM 1073 CA MET A 71 13.485 8.190 17.395 1.00 0.00 C ATOM 1074 C MET A 71 13.091 9.493 16.695 1.00 0.00 C ATOM 1075 O MET A 71 13.595 9.818 15.639 1.00 0.00 O ATOM 1076 CB MET A 71 14.973 7.918 17.166 1.00 0.00 C ATOM 1077 CG MET A 71 15.407 6.712 18.001 1.00 0.00 C ATOM 1078 SD MET A 71 17.155 6.360 17.689 1.00 0.00 S ATOM 1079 CE MET A 71 17.197 4.723 18.461 1.00 0.00 C ATOM 0 H MET A 71 13.225 6.264 16.513 1.00 0.00 H new ATOM 0 HA MET A 71 13.292 8.280 18.464 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.160 7.728 16.109 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.560 8.794 17.441 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.249 6.914 19.060 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.799 5.843 17.748 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.968 4.704 19.231 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.228 4.508 18.912 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.420 3.970 17.705 1.00 0.00 H new