USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.15) USER MOD Single : A 8 SER OG : rot 109:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -33:sc= -0.914 USER MOD Single : A 23 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Single : A 26 SER OG : rot 180:sc= -1.97 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1!) USER MOD Single : A 41 SER OG : rot -35:sc= 1.7 USER MOD Single : A 42 ASN : amide:sc= -3.08 K(o=-3.1,f=-5.2!) USER MOD Single : A 43 ASN : amide:sc= -2.14 K(o=-2.1,f=-7.7!) USER MOD Single : A 46 THR OG1 : rot 121:sc= 1.62 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0405 X(o=-0.04,f=0.24) USER MOD Single : A 58 SER OG : rot -131:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 2 -0.898 0.740 -4.279 1.00 43.55 N ATOM 24 CA LYS A 2 -1.169 0.510 -5.693 1.00 71.43 C ATOM 25 C LYS A 2 -0.139 1.217 -6.568 1.00 24.33 C ATOM 26 O LYS A 2 -0.199 1.149 -7.796 1.00 35.14 O ATOM 27 CB LYS A 2 -2.576 0.996 -6.050 1.00 23.03 C ATOM 28 CG LYS A 2 -3.087 0.460 -7.376 1.00 22.12 C ATOM 29 CD LYS A 2 -4.033 -0.712 -7.176 1.00 71.00 C ATOM 30 CE LYS A 2 -5.422 -0.404 -7.713 1.00 75.42 C ATOM 31 NZ LYS A 2 -6.071 -1.611 -8.297 1.00 34.25 N ATOM 0 HA LYS A 2 -1.103 -0.562 -5.879 1.00 71.43 H new ATOM 0 HB2 LYS A 2 -3.265 0.701 -5.259 1.00 23.03 H new ATOM 0 HB3 LYS A 2 -2.577 2.085 -6.083 1.00 23.03 H new ATOM 0 HG2 LYS A 2 -3.600 1.255 -7.917 1.00 22.12 H new ATOM 0 HG3 LYS A 2 -2.244 0.147 -7.992 1.00 22.12 H new ATOM 0 HD2 LYS A 2 -3.634 -1.593 -7.679 1.00 71.00 H new ATOM 0 HD3 LYS A 2 -4.097 -0.953 -6.115 1.00 71.00 H new ATOM 0 HE2 LYS A 2 -6.043 -0.011 -6.908 1.00 75.42 H new ATOM 0 HE3 LYS A 2 -5.353 0.375 -8.472 1.00 75.42 H new ATOM 0 HZ1 LYS A 2 -7.016 -1.360 -8.652 1.00 34.25 H new ATOM 0 HZ2 LYS A 2 -5.491 -1.972 -9.081 1.00 34.25 H new ATOM 0 HZ3 LYS A 2 -6.160 -2.345 -7.566 1.00 34.25 H new ATOM 45 N LYS A 3 0.809 1.894 -5.928 1.00 15.22 N ATOM 46 CA LYS A 3 1.855 2.612 -6.646 1.00 72.24 C ATOM 47 C LYS A 3 2.888 1.643 -7.213 1.00 41.31 C ATOM 48 O LYS A 3 3.774 2.038 -7.972 1.00 54.42 O ATOM 49 CB LYS A 3 2.539 3.620 -5.720 1.00 60.31 C ATOM 50 CG LYS A 3 1.652 4.791 -5.335 1.00 3.20 C ATOM 51 CD LYS A 3 1.262 4.736 -3.868 1.00 15.14 C ATOM 52 CE LYS A 3 -0.094 5.383 -3.627 1.00 60.22 C ATOM 53 NZ LYS A 3 -0.005 6.515 -2.664 1.00 32.12 N ATOM 0 H LYS A 3 0.874 1.960 -4.912 1.00 15.22 H new ATOM 0 HA LYS A 3 1.391 3.147 -7.475 1.00 72.24 H new ATOM 0 HB2 LYS A 3 2.863 3.107 -4.814 1.00 60.31 H new ATOM 0 HB3 LYS A 3 3.436 4.000 -6.209 1.00 60.31 H new ATOM 0 HG2 LYS A 3 2.174 5.726 -5.539 1.00 3.20 H new ATOM 0 HG3 LYS A 3 0.753 4.786 -5.952 1.00 3.20 H new ATOM 0 HD2 LYS A 3 1.235 3.698 -3.536 1.00 15.14 H new ATOM 0 HD3 LYS A 3 2.019 5.242 -3.270 1.00 15.14 H new ATOM 0 HE2 LYS A 3 -0.498 5.742 -4.573 1.00 60.22 H new ATOM 0 HE3 LYS A 3 -0.790 4.636 -3.246 1.00 60.22 H new ATOM 0 HZ1 LYS A 3 -0.949 6.929 -2.527 1.00 32.12 H new ATOM 0 HZ2 LYS A 3 0.357 6.168 -1.753 1.00 32.12 H new ATOM 0 HZ3 LYS A 3 0.640 7.240 -3.039 1.00 32.12 H new ATOM 67 N CYS A 4 2.769 0.373 -6.841 1.00 14.31 N ATOM 68 CA CYS A 4 3.691 -0.652 -7.313 1.00 21.35 C ATOM 69 C CYS A 4 3.052 -1.494 -8.413 1.00 61.22 C ATOM 70 O CYS A 4 3.641 -2.466 -8.885 1.00 61.20 O ATOM 71 CB CYS A 4 4.123 -1.552 -6.153 1.00 13.13 C ATOM 72 SG CYS A 4 2.925 -2.862 -5.743 1.00 23.14 S ATOM 0 H CYS A 4 2.042 0.029 -6.213 1.00 14.31 H new ATOM 0 HA CYS A 4 4.569 -0.154 -7.725 1.00 21.35 H new ATOM 0 HB2 CYS A 4 5.079 -2.013 -6.401 1.00 13.13 H new ATOM 0 HB3 CYS A 4 4.287 -0.935 -5.270 1.00 13.13 H new ATOM 77 N GLN A 5 1.844 -1.113 -8.816 1.00 44.24 N ATOM 78 CA GLN A 5 1.126 -1.833 -9.861 1.00 14.12 C ATOM 79 C GLN A 5 0.199 -0.896 -10.629 1.00 45.03 C ATOM 80 O GLN A 5 -1.015 -0.901 -10.425 1.00 32.12 O ATOM 81 CB GLN A 5 0.319 -2.982 -9.255 1.00 32.45 C ATOM 82 CG GLN A 5 -0.243 -2.671 -7.877 1.00 12.11 C ATOM 83 CD GLN A 5 -1.352 -3.622 -7.470 1.00 43.31 C ATOM 84 OE1 GLN A 5 -1.296 -4.239 -6.406 1.00 74.22 O ATOM 85 NE2 GLN A 5 -2.367 -3.745 -8.317 1.00 51.50 N ATOM 0 H GLN A 5 1.342 -0.311 -8.435 1.00 44.24 H new ATOM 0 HA GLN A 5 1.860 -2.240 -10.557 1.00 14.12 H new ATOM 0 HB2 GLN A 5 -0.503 -3.231 -9.926 1.00 32.45 H new ATOM 0 HB3 GLN A 5 0.954 -3.865 -9.188 1.00 32.45 H new ATOM 0 HG2 GLN A 5 0.560 -2.720 -7.142 1.00 12.11 H new ATOM 0 HG3 GLN A 5 -0.623 -1.650 -7.866 1.00 12.11 H new ATOM 0 HE21 GLN A 5 -2.372 -3.214 -9.188 1.00 51.50 H new ATOM 0 HE22 GLN A 5 -3.142 -4.370 -8.097 1.00 51.50 H new ATOM 94 N LEU A 6 0.780 -0.093 -11.514 1.00 1.54 N ATOM 95 CA LEU A 6 0.007 0.851 -12.313 1.00 52.13 C ATOM 96 C LEU A 6 -0.080 0.392 -13.765 1.00 63.42 C ATOM 97 O LEU A 6 0.844 -0.217 -14.305 1.00 61.25 O ATOM 98 CB LEU A 6 0.636 2.244 -12.244 1.00 35.11 C ATOM 99 CG LEU A 6 0.660 2.901 -10.863 1.00 44.15 C ATOM 100 CD1 LEU A 6 -0.682 2.735 -10.169 1.00 33.11 C ATOM 101 CD2 LEU A 6 1.779 2.315 -10.014 1.00 34.12 C ATOM 0 H LEU A 6 1.783 -0.077 -11.696 1.00 1.54 H new ATOM 0 HA LEU A 6 -1.002 0.894 -11.903 1.00 52.13 H new ATOM 0 HB2 LEU A 6 1.660 2.177 -12.610 1.00 35.11 H new ATOM 0 HB3 LEU A 6 0.095 2.899 -12.927 1.00 35.11 H new ATOM 0 HG LEU A 6 0.849 3.967 -10.992 1.00 44.15 H new ATOM 0 HD11 LEU A 6 -0.645 3.209 -9.188 1.00 33.11 H new ATOM 0 HD12 LEU A 6 -1.462 3.203 -10.769 1.00 33.11 H new ATOM 0 HD13 LEU A 6 -0.902 1.674 -10.051 1.00 33.11 H new ATOM 0 HD21 LEU A 6 1.782 2.794 -9.035 1.00 34.12 H new ATOM 0 HD22 LEU A 6 1.621 1.243 -9.893 1.00 34.12 H new ATOM 0 HD23 LEU A 6 2.737 2.488 -10.505 1.00 34.12 H new ATOM 113 N PRO A 7 -1.215 0.691 -14.414 1.00 62.32 N ATOM 114 CA PRO A 7 -1.448 0.320 -15.813 1.00 41.12 C ATOM 115 C PRO A 7 -0.572 1.114 -16.777 1.00 34.11 C ATOM 116 O PRO A 7 -0.731 1.021 -17.994 1.00 42.51 O ATOM 117 CB PRO A 7 -2.925 0.660 -16.029 1.00 2.12 C ATOM 118 CG PRO A 7 -3.219 1.722 -15.026 1.00 35.52 C ATOM 119 CD PRO A 7 -2.358 1.414 -13.832 1.00 43.35 C ATOM 0 HA PRO A 7 -1.205 -0.725 -16.003 1.00 41.12 H new ATOM 0 HB2 PRO A 7 -3.106 1.013 -17.044 1.00 2.12 H new ATOM 0 HB3 PRO A 7 -3.559 -0.214 -15.878 1.00 2.12 H new ATOM 0 HG2 PRO A 7 -2.992 2.710 -15.426 1.00 35.52 H new ATOM 0 HG3 PRO A 7 -4.275 1.722 -14.756 1.00 35.52 H new ATOM 0 HD2 PRO A 7 -2.041 2.323 -13.320 1.00 43.35 H new ATOM 0 HD3 PRO A 7 -2.889 0.805 -13.100 1.00 43.35 H new ATOM 127 N SER A 8 0.352 1.893 -16.224 1.00 53.44 N ATOM 128 CA SER A 8 1.251 2.706 -17.036 1.00 15.15 C ATOM 129 C SER A 8 0.472 3.752 -17.828 1.00 35.15 C ATOM 130 O SER A 8 -0.723 3.592 -18.081 1.00 4.11 O ATOM 131 CB SER A 8 2.052 1.819 -17.991 1.00 0.45 C ATOM 132 OG SER A 8 2.467 2.546 -19.134 1.00 55.13 O ATOM 0 H SER A 8 0.498 1.979 -15.218 1.00 53.44 H new ATOM 0 HA SER A 8 1.939 3.221 -16.366 1.00 15.15 H new ATOM 0 HB2 SER A 8 2.924 1.418 -17.475 1.00 0.45 H new ATOM 0 HB3 SER A 8 1.444 0.968 -18.298 1.00 0.45 H new ATOM 0 HG SER A 8 3.434 2.700 -19.091 1.00 55.13 H new ATOM 138 N ASP A 9 1.156 4.822 -18.215 1.00 45.03 N ATOM 139 CA ASP A 9 0.531 5.895 -18.979 1.00 74.25 C ATOM 140 C ASP A 9 1.581 6.724 -19.713 1.00 35.41 C ATOM 141 O ASP A 9 2.414 7.381 -19.090 1.00 25.44 O ATOM 142 CB ASP A 9 -0.293 6.794 -18.056 1.00 74.14 C ATOM 143 CG ASP A 9 -1.781 6.521 -18.159 1.00 51.14 C ATOM 144 OD1 ASP A 9 -2.265 5.598 -17.471 1.00 25.21 O ATOM 145 OD2 ASP A 9 -2.462 7.231 -18.928 1.00 13.42 O ATOM 0 H ASP A 9 2.145 4.970 -18.012 1.00 45.03 H new ATOM 0 HA ASP A 9 -0.130 5.443 -19.718 1.00 74.25 H new ATOM 0 HB2 ASP A 9 0.030 6.646 -17.026 1.00 74.14 H new ATOM 0 HB3 ASP A 9 -0.100 7.838 -18.303 1.00 74.14 H new ATOM 150 N VAL A 10 1.534 6.687 -21.041 1.00 2.21 N ATOM 151 CA VAL A 10 2.481 7.435 -21.860 1.00 22.34 C ATOM 152 C VAL A 10 2.359 8.934 -21.611 1.00 21.23 C ATOM 153 O VAL A 10 3.361 9.642 -21.517 1.00 72.14 O ATOM 154 CB VAL A 10 2.269 7.155 -23.359 1.00 40.54 C ATOM 155 CG1 VAL A 10 0.843 7.490 -23.768 1.00 74.44 C ATOM 156 CG2 VAL A 10 3.270 7.941 -24.194 1.00 35.21 C ATOM 0 H VAL A 10 0.851 6.147 -21.572 1.00 2.21 H new ATOM 0 HA VAL A 10 3.479 7.103 -21.574 1.00 22.34 H new ATOM 0 HB VAL A 10 2.434 6.093 -23.540 1.00 40.54 H new ATOM 0 HG11 VAL A 10 0.712 7.286 -24.831 1.00 74.44 H new ATOM 0 HG12 VAL A 10 0.147 6.880 -23.193 1.00 74.44 H new ATOM 0 HG13 VAL A 10 0.647 8.545 -23.574 1.00 74.44 H new ATOM 0 HG21 VAL A 10 3.106 7.731 -25.251 1.00 35.21 H new ATOM 0 HG22 VAL A 10 3.139 9.007 -24.011 1.00 35.21 H new ATOM 0 HG23 VAL A 10 4.283 7.648 -23.919 1.00 35.21 H new ATOM 166 N GLY A 11 1.123 9.412 -21.504 1.00 31.24 N ATOM 167 CA GLY A 11 0.892 10.825 -21.266 1.00 31.30 C ATOM 168 C GLY A 11 1.538 11.703 -22.319 1.00 72.01 C ATOM 169 O GLY A 11 2.206 11.208 -23.227 1.00 71.11 O ATOM 0 H GLY A 11 0.278 8.846 -21.578 1.00 31.24 H new ATOM 0 HA2 GLY A 11 -0.181 11.016 -21.246 1.00 31.30 H new ATOM 0 HA3 GLY A 11 1.282 11.094 -20.284 1.00 31.30 H new ATOM 173 N LYS A 12 1.338 13.011 -22.200 1.00 51.11 N ATOM 174 CA LYS A 12 1.905 13.962 -23.149 1.00 60.21 C ATOM 175 C LYS A 12 2.936 14.858 -22.471 1.00 11.42 C ATOM 176 O LYS A 12 3.152 14.768 -21.263 1.00 43.41 O ATOM 177 CB LYS A 12 0.798 14.818 -23.768 1.00 72.35 C ATOM 178 CG LYS A 12 -0.276 15.233 -22.778 1.00 30.02 C ATOM 179 CD LYS A 12 -1.490 14.322 -22.857 1.00 3.23 C ATOM 180 CE LYS A 12 -2.512 14.662 -21.783 1.00 72.21 C ATOM 181 NZ LYS A 12 -3.328 15.852 -22.151 1.00 2.34 N ATOM 0 H LYS A 12 0.787 13.437 -21.455 1.00 51.11 H new ATOM 0 HA LYS A 12 2.403 13.397 -23.937 1.00 60.21 H new ATOM 0 HB2 LYS A 12 1.243 15.712 -24.204 1.00 72.35 H new ATOM 0 HB3 LYS A 12 0.334 14.263 -24.583 1.00 72.35 H new ATOM 0 HG2 LYS A 12 0.131 15.211 -21.767 1.00 30.02 H new ATOM 0 HG3 LYS A 12 -0.578 16.261 -22.977 1.00 30.02 H new ATOM 0 HD2 LYS A 12 -1.951 14.412 -23.841 1.00 3.23 H new ATOM 0 HD3 LYS A 12 -1.175 13.284 -22.746 1.00 3.23 H new ATOM 0 HE2 LYS A 12 -3.169 13.807 -21.623 1.00 72.21 H new ATOM 0 HE3 LYS A 12 -1.999 14.851 -20.840 1.00 72.21 H new ATOM 0 HZ1 LYS A 12 -4.012 16.051 -21.394 1.00 2.34 H new ATOM 0 HZ2 LYS A 12 -2.704 16.674 -22.279 1.00 2.34 H new ATOM 0 HZ3 LYS A 12 -3.838 15.663 -23.037 1.00 2.34 H new ATOM 195 N GLY A 13 3.569 15.725 -23.256 1.00 73.35 N ATOM 196 CA GLY A 13 4.568 16.626 -22.713 1.00 60.13 C ATOM 197 C GLY A 13 5.691 16.904 -23.692 1.00 64.03 C ATOM 198 O GLY A 13 5.628 16.500 -24.854 1.00 34.04 O ATOM 0 H GLY A 13 3.407 15.819 -24.259 1.00 73.35 H new ATOM 0 HA2 GLY A 13 4.092 17.566 -22.434 1.00 60.13 H new ATOM 0 HA3 GLY A 13 4.983 16.196 -21.801 1.00 60.13 H new ATOM 202 N LYS A 14 6.724 17.598 -23.224 1.00 74.45 N ATOM 203 CA LYS A 14 7.867 17.931 -24.066 1.00 73.41 C ATOM 204 C LYS A 14 8.975 16.893 -23.914 1.00 54.24 C ATOM 205 O LYS A 14 10.134 17.159 -24.231 1.00 73.50 O ATOM 206 CB LYS A 14 8.402 19.319 -23.709 1.00 54.41 C ATOM 207 CG LYS A 14 7.423 20.443 -24.006 1.00 23.31 C ATOM 208 CD LYS A 14 6.486 20.689 -22.836 1.00 14.11 C ATOM 209 CE LYS A 14 5.679 21.964 -23.027 1.00 41.40 C ATOM 210 NZ LYS A 14 4.530 21.761 -23.953 1.00 24.24 N ATOM 0 H LYS A 14 6.793 17.941 -22.266 1.00 74.45 H new ATOM 0 HA LYS A 14 7.534 17.933 -25.104 1.00 73.41 H new ATOM 0 HB2 LYS A 14 8.656 19.340 -22.649 1.00 54.41 H new ATOM 0 HB3 LYS A 14 9.325 19.497 -24.261 1.00 54.41 H new ATOM 0 HG2 LYS A 14 7.974 21.356 -24.231 1.00 23.31 H new ATOM 0 HG3 LYS A 14 6.841 20.195 -24.894 1.00 23.31 H new ATOM 0 HD2 LYS A 14 5.809 19.842 -22.726 1.00 14.11 H new ATOM 0 HD3 LYS A 14 7.063 20.757 -21.914 1.00 14.11 H new ATOM 0 HE2 LYS A 14 5.310 22.308 -22.061 1.00 41.40 H new ATOM 0 HE3 LYS A 14 6.327 22.748 -23.419 1.00 41.40 H new ATOM 0 HZ1 LYS A 14 4.006 22.653 -24.056 1.00 24.24 H new ATOM 0 HZ2 LYS A 14 4.883 21.457 -24.883 1.00 24.24 H new ATOM 0 HZ3 LYS A 14 3.898 21.031 -23.567 1.00 24.24 H new ATOM 224 N ALA A 15 8.609 15.711 -23.430 1.00 25.23 N ATOM 225 CA ALA A 15 9.572 14.633 -23.240 1.00 30.22 C ATOM 226 C ALA A 15 9.218 13.423 -24.099 1.00 1.44 C ATOM 227 O ALA A 15 8.218 13.431 -24.816 1.00 42.05 O ATOM 228 CB ALA A 15 9.640 14.238 -21.772 1.00 1.51 C ATOM 0 H ALA A 15 7.653 15.475 -23.162 1.00 25.23 H new ATOM 0 HA ALA A 15 10.551 14.995 -23.553 1.00 30.22 H new ATOM 0 HB1 ALA A 15 10.363 13.432 -21.645 1.00 1.51 H new ATOM 0 HB2 ALA A 15 9.948 15.098 -21.178 1.00 1.51 H new ATOM 0 HB3 ALA A 15 8.658 13.900 -21.440 1.00 1.51 H new ATOM 234 N SER A 16 10.045 12.386 -24.020 1.00 70.44 N ATOM 235 CA SER A 16 9.821 11.170 -24.794 1.00 44.14 C ATOM 236 C SER A 16 10.870 10.113 -24.461 1.00 43.43 C ATOM 237 O SER A 16 11.587 9.635 -25.341 1.00 21.15 O ATOM 238 CB SER A 16 9.852 11.481 -26.292 1.00 50.01 C ATOM 239 OG SER A 16 8.996 10.610 -27.011 1.00 51.32 O ATOM 0 H SER A 16 10.876 12.363 -23.429 1.00 70.44 H new ATOM 0 HA SER A 16 8.839 10.777 -24.532 1.00 44.14 H new ATOM 0 HB2 SER A 16 9.548 12.514 -26.459 1.00 50.01 H new ATOM 0 HB3 SER A 16 10.871 11.385 -26.666 1.00 50.01 H new ATOM 0 HG SER A 16 9.032 10.830 -27.965 1.00 51.32 H new ATOM 245 N PHE A 17 10.954 9.754 -23.185 1.00 21.23 N ATOM 246 CA PHE A 17 11.915 8.755 -22.733 1.00 65.55 C ATOM 247 C PHE A 17 11.202 7.527 -22.175 1.00 61.42 C ATOM 248 O PHE A 17 10.256 7.644 -21.395 1.00 42.13 O ATOM 249 CB PHE A 17 12.840 9.349 -21.669 1.00 13.30 C ATOM 250 CG PHE A 17 14.081 8.538 -21.432 1.00 45.22 C ATOM 251 CD1 PHE A 17 14.059 7.445 -20.582 1.00 30.41 C ATOM 252 CD2 PHE A 17 15.271 8.870 -22.060 1.00 25.13 C ATOM 253 CE1 PHE A 17 15.200 6.696 -20.362 1.00 72.21 C ATOM 254 CE2 PHE A 17 16.415 8.125 -21.844 1.00 63.42 C ATOM 255 CZ PHE A 17 16.380 7.037 -20.993 1.00 52.15 C ATOM 0 H PHE A 17 10.368 10.140 -22.445 1.00 21.23 H new ATOM 0 HA PHE A 17 12.512 8.448 -23.592 1.00 65.55 H new ATOM 0 HB2 PHE A 17 13.126 10.357 -21.970 1.00 13.30 H new ATOM 0 HB3 PHE A 17 12.291 9.440 -20.732 1.00 13.30 H new ATOM 0 HD1 PHE A 17 13.139 7.174 -20.085 1.00 30.41 H new ATOM 0 HD2 PHE A 17 15.305 9.720 -22.725 1.00 25.13 H new ATOM 0 HE1 PHE A 17 15.168 5.845 -19.697 1.00 72.21 H new ATOM 0 HE2 PHE A 17 17.336 8.393 -22.340 1.00 63.42 H new ATOM 0 HZ PHE A 17 17.273 6.455 -20.822 1.00 52.15 H new ATOM 265 N THR A 18 11.662 6.347 -22.581 1.00 30.03 N ATOM 266 CA THR A 18 11.068 5.097 -22.124 1.00 22.04 C ATOM 267 C THR A 18 11.412 4.826 -20.663 1.00 44.35 C ATOM 268 O THR A 18 12.562 4.974 -20.249 1.00 64.34 O ATOM 269 CB THR A 18 11.538 3.906 -22.979 1.00 64.34 C ATOM 270 OG1 THR A 18 12.335 4.373 -24.074 1.00 21.23 O ATOM 271 CG2 THR A 18 10.350 3.118 -23.510 1.00 50.44 C ATOM 0 H THR A 18 12.444 6.231 -23.225 1.00 30.03 H new ATOM 0 HA THR A 18 9.988 5.205 -22.226 1.00 22.04 H new ATOM 0 HB THR A 18 12.137 3.249 -22.348 1.00 64.34 H new ATOM 0 HG1 THR A 18 12.631 3.609 -24.612 1.00 21.23 H new ATOM 0 HG21 THR A 18 10.707 2.282 -24.111 1.00 50.44 H new ATOM 0 HG22 THR A 18 9.762 2.739 -22.674 1.00 50.44 H new ATOM 0 HG23 THR A 18 9.728 3.768 -24.126 1.00 50.44 H new ATOM 279 N ARG A 19 10.409 4.429 -19.888 1.00 1.24 N ATOM 280 CA ARG A 19 10.606 4.138 -18.473 1.00 3.43 C ATOM 281 C ARG A 19 10.057 2.759 -18.119 1.00 42.25 C ATOM 282 O ARG A 19 9.321 2.154 -18.900 1.00 4.34 O ATOM 283 CB ARG A 19 9.928 5.205 -17.611 1.00 53.15 C ATOM 284 CG ARG A 19 10.255 6.628 -18.034 1.00 71.02 C ATOM 285 CD ARG A 19 11.697 6.987 -17.711 1.00 52.44 C ATOM 286 NE ARG A 19 11.942 8.423 -17.824 1.00 75.33 N ATOM 287 CZ ARG A 19 13.151 8.969 -17.766 1.00 61.22 C ATOM 288 NH1 ARG A 19 14.220 8.203 -17.598 1.00 43.20 N ATOM 289 NH2 ARG A 19 13.293 10.283 -17.877 1.00 52.51 N ATOM 0 H ARG A 19 9.452 4.301 -20.216 1.00 1.24 H new ATOM 0 HA ARG A 19 11.677 4.146 -18.273 1.00 3.43 H new ATOM 0 HB2 ARG A 19 8.848 5.062 -17.653 1.00 53.15 H new ATOM 0 HB3 ARG A 19 10.228 5.066 -16.572 1.00 53.15 H new ATOM 0 HG2 ARG A 19 10.082 6.740 -19.104 1.00 71.02 H new ATOM 0 HG3 ARG A 19 9.584 7.322 -17.529 1.00 71.02 H new ATOM 0 HD2 ARG A 19 11.935 6.657 -16.700 1.00 52.44 H new ATOM 0 HD3 ARG A 19 12.364 6.451 -18.386 1.00 52.44 H new ATOM 0 HE ARG A 19 11.140 9.040 -17.955 1.00 75.33 H new ATOM 0 HH11 ARG A 19 14.115 7.192 -17.513 1.00 43.20 H new ATOM 0 HH12 ARG A 19 15.148 8.625 -17.554 1.00 43.20 H new ATOM 0 HH21 ARG A 19 12.473 10.875 -18.007 1.00 52.51 H new ATOM 0 HH22 ARG A 19 14.222 10.701 -17.832 1.00 52.51 H new ATOM 303 N TYR A 20 10.420 2.268 -16.940 1.00 3.11 N ATOM 304 CA TYR A 20 9.967 0.959 -16.485 1.00 12.45 C ATOM 305 C TYR A 20 8.852 1.098 -15.452 1.00 22.11 C ATOM 306 O TYR A 20 8.738 2.122 -14.778 1.00 44.22 O ATOM 307 CB TYR A 20 11.134 0.171 -15.889 1.00 21.34 C ATOM 308 CG TYR A 20 12.155 -0.267 -16.914 1.00 60.52 C ATOM 309 CD1 TYR A 20 12.906 0.666 -17.618 1.00 62.10 C ATOM 310 CD2 TYR A 20 12.368 -1.614 -17.180 1.00 72.43 C ATOM 311 CE1 TYR A 20 13.840 0.270 -18.557 1.00 13.45 C ATOM 312 CE2 TYR A 20 13.300 -2.019 -18.116 1.00 21.11 C ATOM 313 CZ TYR A 20 14.033 -1.073 -18.801 1.00 63.15 C ATOM 314 OH TYR A 20 14.962 -1.472 -19.735 1.00 71.13 O ATOM 0 H TYR A 20 11.027 2.757 -16.282 1.00 3.11 H new ATOM 0 HA TYR A 20 9.575 0.418 -17.346 1.00 12.45 H new ATOM 0 HB2 TYR A 20 11.628 0.784 -15.135 1.00 21.34 H new ATOM 0 HB3 TYR A 20 10.744 -0.709 -15.378 1.00 21.34 H new ATOM 0 HD1 TYR A 20 12.758 1.719 -17.428 1.00 62.10 H new ATOM 0 HD2 TYR A 20 11.795 -2.357 -16.646 1.00 72.43 H new ATOM 0 HE1 TYR A 20 14.415 1.008 -19.096 1.00 13.45 H new ATOM 0 HE2 TYR A 20 13.454 -3.070 -18.310 1.00 21.11 H new ATOM 0 HH TYR A 20 14.976 -2.451 -19.786 1.00 71.13 H new ATOM 324 N TYR A 21 8.033 0.059 -15.333 1.00 55.53 N ATOM 325 CA TYR A 21 6.925 0.064 -14.385 1.00 3.34 C ATOM 326 C TYR A 21 6.513 -1.359 -14.021 1.00 4.01 C ATOM 327 O TYR A 21 6.534 -2.258 -14.862 1.00 51.42 O ATOM 328 CB TYR A 21 5.730 0.820 -14.968 1.00 31.23 C ATOM 329 CG TYR A 21 5.028 0.076 -16.082 1.00 23.04 C ATOM 330 CD1 TYR A 21 5.641 -0.106 -17.315 1.00 62.33 C ATOM 331 CD2 TYR A 21 3.753 -0.444 -15.901 1.00 55.40 C ATOM 332 CE1 TYR A 21 5.004 -0.785 -18.336 1.00 50.43 C ATOM 333 CE2 TYR A 21 3.108 -1.124 -16.916 1.00 23.43 C ATOM 334 CZ TYR A 21 3.738 -1.292 -18.131 1.00 71.15 C ATOM 335 OH TYR A 21 3.099 -1.969 -19.145 1.00 51.43 O ATOM 0 H TYR A 21 8.115 -0.797 -15.881 1.00 55.53 H new ATOM 0 HA TYR A 21 7.258 0.569 -13.479 1.00 3.34 H new ATOM 0 HB2 TYR A 21 5.015 1.023 -14.171 1.00 31.23 H new ATOM 0 HB3 TYR A 21 6.070 1.785 -15.344 1.00 31.23 H new ATOM 0 HD1 TYR A 21 6.632 0.290 -17.478 1.00 62.33 H new ATOM 0 HD2 TYR A 21 3.257 -0.315 -14.950 1.00 55.40 H new ATOM 0 HE1 TYR A 21 5.495 -0.918 -19.289 1.00 50.43 H new ATOM 0 HE2 TYR A 21 2.116 -1.522 -16.759 1.00 23.43 H new ATOM 0 HH TYR A 21 2.216 -2.262 -18.837 1.00 51.43 H new ATOM 345 N TYR A 22 6.139 -1.556 -12.762 1.00 1.33 N ATOM 346 CA TYR A 22 5.724 -2.869 -12.284 1.00 74.21 C ATOM 347 C TYR A 22 4.207 -3.020 -12.356 1.00 22.31 C ATOM 348 O TYR A 22 3.466 -2.064 -12.135 1.00 11.13 O ATOM 349 CB TYR A 22 6.202 -3.087 -10.848 1.00 33.54 C ATOM 350 CG TYR A 22 6.298 -4.545 -10.456 1.00 51.23 C ATOM 351 CD1 TYR A 22 7.372 -5.325 -10.867 1.00 72.02 C ATOM 352 CD2 TYR A 22 5.315 -5.142 -9.677 1.00 11.21 C ATOM 353 CE1 TYR A 22 7.464 -6.657 -10.513 1.00 32.23 C ATOM 354 CE2 TYR A 22 5.399 -6.473 -9.317 1.00 3.45 C ATOM 355 CZ TYR A 22 6.475 -7.226 -9.737 1.00 24.20 C ATOM 356 OH TYR A 22 6.562 -8.553 -9.381 1.00 44.43 O ATOM 0 H TYR A 22 6.115 -0.823 -12.054 1.00 1.33 H new ATOM 0 HA TYR A 22 6.177 -3.622 -12.928 1.00 74.21 H new ATOM 0 HB2 TYR A 22 7.180 -2.621 -10.725 1.00 33.54 H new ATOM 0 HB3 TYR A 22 5.519 -2.580 -10.166 1.00 33.54 H new ATOM 0 HD1 TYR A 22 8.148 -4.882 -11.474 1.00 72.02 H new ATOM 0 HD2 TYR A 22 4.470 -4.555 -9.347 1.00 11.21 H new ATOM 0 HE1 TYR A 22 8.305 -7.250 -10.842 1.00 32.23 H new ATOM 0 HE2 TYR A 22 4.626 -6.921 -8.710 1.00 3.45 H new ATOM 0 HH TYR A 22 6.998 -9.057 -10.100 1.00 44.43 H new ATOM 366 N ASN A 23 3.754 -4.231 -12.666 1.00 52.54 N ATOM 367 CA ASN A 23 2.326 -4.509 -12.768 1.00 12.04 C ATOM 368 C ASN A 23 1.956 -5.754 -11.967 1.00 63.23 C ATOM 369 O ASN A 23 2.741 -6.697 -11.871 1.00 71.24 O ATOM 370 CB ASN A 23 1.923 -4.692 -14.232 1.00 63.43 C ATOM 371 CG ASN A 23 3.044 -5.275 -15.071 1.00 61.52 C ATOM 372 OD1 ASN A 23 3.172 -6.494 -15.196 1.00 54.53 O ATOM 373 ND2 ASN A 23 3.863 -4.406 -15.651 1.00 3.44 N ATOM 0 H ASN A 23 4.355 -5.034 -12.851 1.00 52.54 H new ATOM 0 HA ASN A 23 1.785 -3.658 -12.354 1.00 12.04 H new ATOM 0 HB2 ASN A 23 1.053 -5.346 -14.288 1.00 63.43 H new ATOM 0 HB3 ASN A 23 1.625 -3.729 -14.647 1.00 63.43 H new ATOM 0 HD21 ASN A 23 4.636 -4.740 -16.227 1.00 3.44 H new ATOM 0 HD22 ASN A 23 3.720 -3.405 -15.520 1.00 3.44 H new ATOM 380 N GLU A 24 0.756 -5.749 -11.395 1.00 62.14 N ATOM 381 CA GLU A 24 0.283 -6.878 -10.603 1.00 64.43 C ATOM 382 C GLU A 24 -0.361 -7.936 -11.495 1.00 31.23 C ATOM 383 O GLU A 24 -0.093 -7.998 -12.694 1.00 73.01 O ATOM 384 CB GLU A 24 -0.719 -6.406 -9.548 1.00 4.21 C ATOM 385 CG GLU A 24 -0.394 -6.884 -8.143 1.00 21.51 C ATOM 386 CD GLU A 24 0.106 -8.316 -8.115 1.00 43.32 C ATOM 387 OE1 GLU A 24 -0.733 -9.238 -8.179 1.00 73.21 O ATOM 388 OE2 GLU A 24 1.336 -8.513 -8.029 1.00 61.55 O ATOM 0 H GLU A 24 0.094 -4.976 -11.465 1.00 62.14 H new ATOM 0 HA GLU A 24 1.143 -7.323 -10.103 1.00 64.43 H new ATOM 0 HB2 GLU A 24 -0.753 -5.317 -9.553 1.00 4.21 H new ATOM 0 HB3 GLU A 24 -1.714 -6.757 -9.821 1.00 4.21 H new ATOM 0 HG2 GLU A 24 0.362 -6.231 -7.707 1.00 21.51 H new ATOM 0 HG3 GLU A 24 -1.285 -6.802 -7.520 1.00 21.51 H new ATOM 395 N GLU A 25 -1.211 -8.766 -10.898 1.00 71.32 N ATOM 396 CA GLU A 25 -1.892 -9.822 -11.638 1.00 34.32 C ATOM 397 C GLU A 25 -0.898 -10.868 -12.133 1.00 21.51 C ATOM 398 O GLU A 25 -1.241 -11.736 -12.936 1.00 52.43 O ATOM 399 CB GLU A 25 -2.660 -9.232 -12.822 1.00 75.02 C ATOM 400 CG GLU A 25 -4.090 -9.735 -12.932 1.00 61.34 C ATOM 401 CD GLU A 25 -4.416 -10.267 -14.315 1.00 14.35 C ATOM 402 OE1 GLU A 25 -3.714 -11.191 -14.775 1.00 72.21 O ATOM 403 OE2 GLU A 25 -5.373 -9.759 -14.935 1.00 51.45 O ATOM 0 H GLU A 25 -1.444 -8.728 -9.906 1.00 71.32 H new ATOM 0 HA GLU A 25 -2.597 -10.307 -10.962 1.00 34.32 H new ATOM 0 HB2 GLU A 25 -2.672 -8.146 -12.732 1.00 75.02 H new ATOM 0 HB3 GLU A 25 -2.128 -9.469 -13.744 1.00 75.02 H new ATOM 0 HG2 GLU A 25 -4.252 -10.523 -12.196 1.00 61.34 H new ATOM 0 HG3 GLU A 25 -4.776 -8.924 -12.687 1.00 61.34 H new ATOM 410 N SER A 26 0.336 -10.779 -11.648 1.00 24.44 N ATOM 411 CA SER A 26 1.383 -11.715 -12.043 1.00 54.24 C ATOM 412 C SER A 26 2.729 -11.305 -11.454 1.00 31.42 C ATOM 413 O SER A 26 3.605 -12.142 -11.237 1.00 54.22 O ATOM 414 CB SER A 26 1.482 -11.787 -13.568 1.00 53.34 C ATOM 415 OG SER A 26 2.732 -12.316 -13.974 1.00 1.21 O ATOM 0 H SER A 26 0.636 -10.068 -10.981 1.00 24.44 H new ATOM 0 HA SER A 26 1.121 -12.700 -11.655 1.00 54.24 H new ATOM 0 HB2 SER A 26 0.676 -12.409 -13.959 1.00 53.34 H new ATOM 0 HB3 SER A 26 1.350 -10.791 -13.991 1.00 53.34 H new ATOM 0 HG SER A 26 2.769 -12.353 -14.953 1.00 1.21 H new ATOM 421 N GLY A 27 2.886 -10.010 -11.196 1.00 71.42 N ATOM 422 CA GLY A 27 4.127 -9.511 -10.634 1.00 63.03 C ATOM 423 C GLY A 27 5.233 -9.414 -11.666 1.00 62.04 C ATOM 424 O GLY A 27 6.303 -10.000 -11.499 1.00 31.23 O ATOM 0 H GLY A 27 2.176 -9.298 -11.366 1.00 71.42 H new ATOM 0 HA2 GLY A 27 3.955 -8.527 -10.197 1.00 63.03 H new ATOM 0 HA3 GLY A 27 4.446 -10.168 -9.825 1.00 63.03 H new ATOM 428 N LYS A 28 4.976 -8.673 -12.739 1.00 21.20 N ATOM 429 CA LYS A 28 5.957 -8.501 -13.804 1.00 2.13 C ATOM 430 C LYS A 28 6.227 -7.022 -14.061 1.00 3.24 C ATOM 431 O LYS A 28 5.473 -6.156 -13.617 1.00 35.14 O ATOM 432 CB LYS A 28 5.468 -9.172 -15.089 1.00 42.23 C ATOM 433 CG LYS A 28 4.843 -10.538 -14.863 1.00 4.41 C ATOM 434 CD LYS A 28 5.850 -11.524 -14.296 1.00 21.34 C ATOM 435 CE LYS A 28 5.494 -12.957 -14.662 1.00 13.12 C ATOM 436 NZ LYS A 28 6.694 -13.838 -14.685 1.00 34.42 N ATOM 0 H LYS A 28 4.096 -8.182 -12.894 1.00 21.20 H new ATOM 0 HA LYS A 28 6.887 -8.972 -13.487 1.00 2.13 H new ATOM 0 HB2 LYS A 28 4.738 -8.523 -15.572 1.00 42.23 H new ATOM 0 HB3 LYS A 28 6.307 -9.275 -15.777 1.00 42.23 H new ATOM 0 HG2 LYS A 28 3.999 -10.445 -14.179 1.00 4.41 H new ATOM 0 HG3 LYS A 28 4.449 -10.920 -15.805 1.00 4.41 H new ATOM 0 HD2 LYS A 28 6.845 -11.287 -14.674 1.00 21.34 H new ATOM 0 HD3 LYS A 28 5.888 -11.423 -13.211 1.00 21.34 H new ATOM 0 HE2 LYS A 28 4.771 -13.346 -13.945 1.00 13.12 H new ATOM 0 HE3 LYS A 28 5.013 -12.973 -15.640 1.00 13.12 H new ATOM 0 HZ1 LYS A 28 6.409 -14.806 -14.938 1.00 34.42 H new ATOM 0 HZ2 LYS A 28 7.373 -13.482 -15.388 1.00 34.42 H new ATOM 0 HZ3 LYS A 28 7.139 -13.843 -13.745 1.00 34.42 H new ATOM 450 N CYS A 29 7.307 -6.739 -14.781 1.00 43.31 N ATOM 451 CA CYS A 29 7.677 -5.365 -15.099 1.00 12.44 C ATOM 452 C CYS A 29 7.788 -5.166 -16.607 1.00 62.15 C ATOM 453 O CYS A 29 8.208 -6.067 -17.332 1.00 62.33 O ATOM 454 CB CYS A 29 9.003 -5.003 -14.426 1.00 54.42 C ATOM 455 SG CYS A 29 9.452 -3.243 -14.568 1.00 63.04 S ATOM 0 H CYS A 29 7.942 -7.444 -15.156 1.00 43.31 H new ATOM 0 HA CYS A 29 6.894 -4.708 -14.721 1.00 12.44 H new ATOM 0 HB2 CYS A 29 8.947 -5.269 -13.370 1.00 54.42 H new ATOM 0 HB3 CYS A 29 9.798 -5.606 -14.865 1.00 54.42 H new ATOM 460 N GLU A 30 7.409 -3.980 -17.072 1.00 50.33 N ATOM 461 CA GLU A 30 7.466 -3.664 -18.495 1.00 11.54 C ATOM 462 C GLU A 30 8.040 -2.267 -18.719 1.00 71.51 C ATOM 463 O GLU A 30 8.457 -1.595 -17.775 1.00 62.52 O ATOM 464 CB GLU A 30 6.072 -3.760 -19.117 1.00 54.24 C ATOM 465 CG GLU A 30 5.653 -5.181 -19.456 1.00 11.33 C ATOM 466 CD GLU A 30 5.869 -5.520 -20.918 1.00 32.23 C ATOM 467 OE1 GLU A 30 7.021 -5.824 -21.292 1.00 2.43 O ATOM 468 OE2 GLU A 30 4.887 -5.482 -21.688 1.00 35.24 O ATOM 0 H GLU A 30 7.059 -3.223 -16.485 1.00 50.33 H new ATOM 0 HA GLU A 30 8.122 -4.389 -18.977 1.00 11.54 H new ATOM 0 HB2 GLU A 30 5.345 -3.331 -18.427 1.00 54.24 H new ATOM 0 HB3 GLU A 30 6.046 -3.156 -20.024 1.00 54.24 H new ATOM 0 HG2 GLU A 30 6.217 -5.879 -18.838 1.00 11.33 H new ATOM 0 HG3 GLU A 30 4.600 -5.314 -19.208 1.00 11.33 H new ATOM 475 N THR A 31 8.058 -1.837 -19.977 1.00 3.33 N ATOM 476 CA THR A 31 8.582 -0.522 -20.327 1.00 20.52 C ATOM 477 C THR A 31 7.647 0.204 -21.287 1.00 64.24 C ATOM 478 O THR A 31 7.046 -0.411 -22.168 1.00 60.13 O ATOM 479 CB THR A 31 9.979 -0.627 -20.968 1.00 53.11 C ATOM 480 OG1 THR A 31 10.081 -1.838 -21.725 1.00 31.21 O ATOM 481 CG2 THR A 31 11.066 -0.594 -19.905 1.00 21.02 C ATOM 0 H THR A 31 7.716 -2.380 -20.770 1.00 3.33 H new ATOM 0 HA THR A 31 8.658 0.046 -19.400 1.00 20.52 H new ATOM 0 HB THR A 31 10.115 0.228 -21.631 1.00 53.11 H new ATOM 0 HG1 THR A 31 10.971 -1.896 -22.131 1.00 31.21 H new ATOM 0 HG21 THR A 31 12.043 -0.670 -20.382 1.00 21.02 H new ATOM 0 HG22 THR A 31 11.004 0.342 -19.350 1.00 21.02 H new ATOM 0 HG23 THR A 31 10.931 -1.431 -19.220 1.00 21.02 H new ATOM 489 N PHE A 32 7.530 1.516 -21.113 1.00 31.14 N ATOM 490 CA PHE A 32 6.668 2.326 -21.965 1.00 15.55 C ATOM 491 C PHE A 32 7.297 3.690 -22.235 1.00 14.22 C ATOM 492 O PHE A 32 8.240 4.096 -21.555 1.00 62.35 O ATOM 493 CB PHE A 32 5.295 2.506 -21.313 1.00 74.44 C ATOM 494 CG PHE A 32 5.337 3.287 -20.031 1.00 75.41 C ATOM 495 CD1 PHE A 32 5.930 2.753 -18.898 1.00 72.25 C ATOM 496 CD2 PHE A 32 4.782 4.554 -19.958 1.00 42.42 C ATOM 497 CE1 PHE A 32 5.970 3.469 -17.717 1.00 25.11 C ATOM 498 CE2 PHE A 32 4.820 5.275 -18.780 1.00 3.33 C ATOM 499 CZ PHE A 32 5.414 4.732 -17.657 1.00 70.54 C ATOM 0 H PHE A 32 8.021 2.041 -20.390 1.00 31.14 H new ATOM 0 HA PHE A 32 6.547 1.806 -22.915 1.00 15.55 H new ATOM 0 HB2 PHE A 32 4.632 3.011 -22.015 1.00 74.44 H new ATOM 0 HB3 PHE A 32 4.863 1.524 -21.117 1.00 74.44 H new ATOM 0 HD1 PHE A 32 6.366 1.766 -18.939 1.00 72.25 H new ATOM 0 HD2 PHE A 32 4.314 4.983 -20.832 1.00 42.42 H new ATOM 0 HE1 PHE A 32 6.436 3.041 -16.841 1.00 25.11 H new ATOM 0 HE2 PHE A 32 4.385 6.263 -18.737 1.00 3.33 H new ATOM 0 HZ PHE A 32 5.444 5.293 -16.735 1.00 70.54 H new ATOM 509 N ILE A 33 6.767 4.392 -23.231 1.00 44.02 N ATOM 510 CA ILE A 33 7.276 5.710 -23.591 1.00 61.32 C ATOM 511 C ILE A 33 6.731 6.784 -22.656 1.00 22.32 C ATOM 512 O ILE A 33 5.527 7.037 -22.619 1.00 51.24 O ATOM 513 CB ILE A 33 6.913 6.076 -25.042 1.00 51.23 C ATOM 514 CG1 ILE A 33 7.356 4.966 -25.998 1.00 1.51 C ATOM 515 CG2 ILE A 33 7.551 7.402 -25.429 1.00 40.02 C ATOM 516 CD1 ILE A 33 6.209 4.148 -26.547 1.00 54.33 C ATOM 0 H ILE A 33 5.986 4.070 -23.803 1.00 44.02 H new ATOM 0 HA ILE A 33 8.361 5.666 -23.496 1.00 61.32 H new ATOM 0 HB ILE A 33 5.830 6.181 -25.115 1.00 51.23 H new ATOM 0 HG12 ILE A 33 7.905 5.410 -26.828 1.00 1.51 H new ATOM 0 HG13 ILE A 33 8.047 4.304 -25.477 1.00 1.51 H new ATOM 0 HG21 ILE A 33 7.285 7.647 -26.457 1.00 40.02 H new ATOM 0 HG22 ILE A 33 7.191 8.187 -24.764 1.00 40.02 H new ATOM 0 HG23 ILE A 33 8.635 7.323 -25.343 1.00 40.02 H new ATOM 0 HD11 ILE A 33 6.597 3.381 -27.217 1.00 54.33 H new ATOM 0 HD12 ILE A 33 5.673 3.675 -25.724 1.00 54.33 H new ATOM 0 HD13 ILE A 33 5.528 4.798 -27.096 1.00 54.33 H new ATOM 528 N TYR A 34 7.626 7.413 -21.902 1.00 52.11 N ATOM 529 CA TYR A 34 7.235 8.460 -20.966 1.00 10.13 C ATOM 530 C TYR A 34 7.471 9.843 -21.565 1.00 41.11 C ATOM 531 O TYR A 34 8.327 10.019 -22.431 1.00 73.04 O ATOM 532 CB TYR A 34 8.014 8.320 -19.657 1.00 20.42 C ATOM 533 CG TYR A 34 7.377 9.044 -18.492 1.00 61.33 C ATOM 534 CD1 TYR A 34 6.377 8.443 -17.738 1.00 23.33 C ATOM 535 CD2 TYR A 34 7.776 10.329 -18.146 1.00 61.11 C ATOM 536 CE1 TYR A 34 5.792 9.101 -16.674 1.00 2.15 C ATOM 537 CE2 TYR A 34 7.198 10.994 -17.082 1.00 53.35 C ATOM 538 CZ TYR A 34 6.206 10.376 -16.350 1.00 11.43 C ATOM 539 OH TYR A 34 5.626 11.035 -15.289 1.00 65.04 O ATOM 0 H TYR A 34 8.627 7.216 -21.921 1.00 52.11 H new ATOM 0 HA TYR A 34 6.170 8.349 -20.762 1.00 10.13 H new ATOM 0 HB2 TYR A 34 8.106 7.262 -19.410 1.00 20.42 H new ATOM 0 HB3 TYR A 34 9.024 8.702 -19.803 1.00 20.42 H new ATOM 0 HD1 TYR A 34 6.051 7.444 -17.988 1.00 23.33 H new ATOM 0 HD2 TYR A 34 8.551 10.816 -18.719 1.00 61.11 H new ATOM 0 HE1 TYR A 34 5.015 8.620 -16.099 1.00 2.15 H new ATOM 0 HE2 TYR A 34 7.521 11.992 -16.825 1.00 53.35 H new ATOM 0 HH TYR A 34 6.031 11.922 -15.194 1.00 65.04 H new ATOM 549 N GLY A 35 6.705 10.823 -21.096 1.00 12.22 N ATOM 550 CA GLY A 35 6.845 12.178 -21.595 1.00 41.53 C ATOM 551 C GLY A 35 6.750 13.215 -20.494 1.00 1.25 C ATOM 552 O GLY A 35 7.696 13.410 -19.732 1.00 3.31 O ATOM 0 H GLY A 35 5.990 10.702 -20.379 1.00 12.22 H new ATOM 0 HA2 GLY A 35 7.805 12.278 -22.102 1.00 41.53 H new ATOM 0 HA3 GLY A 35 6.071 12.370 -22.338 1.00 41.53 H new ATOM 556 N GLY A 36 5.604 13.884 -20.409 1.00 71.12 N ATOM 557 CA GLY A 36 5.411 14.900 -19.391 1.00 32.52 C ATOM 558 C GLY A 36 4.426 14.469 -18.322 1.00 72.01 C ATOM 559 O GLY A 36 4.793 13.778 -17.371 1.00 54.52 O ATOM 0 H GLY A 36 4.806 13.740 -21.027 1.00 71.12 H new ATOM 0 HA2 GLY A 36 6.369 15.131 -18.926 1.00 32.52 H new ATOM 0 HA3 GLY A 36 5.055 15.817 -19.860 1.00 32.52 H new ATOM 563 N VAL A 37 3.171 14.879 -18.477 1.00 33.25 N ATOM 564 CA VAL A 37 2.130 14.532 -17.517 1.00 34.34 C ATOM 565 C VAL A 37 1.410 13.252 -17.926 1.00 35.33 C ATOM 566 O VAL A 37 0.833 13.170 -19.010 1.00 2.45 O ATOM 567 CB VAL A 37 1.097 15.666 -17.374 1.00 72.43 C ATOM 568 CG1 VAL A 37 0.170 15.399 -16.198 1.00 75.04 C ATOM 569 CG2 VAL A 37 1.797 17.007 -17.218 1.00 61.02 C ATOM 0 H VAL A 37 2.851 15.452 -19.258 1.00 33.25 H new ATOM 0 HA VAL A 37 2.623 14.377 -16.557 1.00 34.34 H new ATOM 0 HB VAL A 37 0.493 15.701 -18.281 1.00 72.43 H new ATOM 0 HG11 VAL A 37 -0.553 16.211 -16.113 1.00 75.04 H new ATOM 0 HG12 VAL A 37 -0.358 14.458 -16.357 1.00 75.04 H new ATOM 0 HG13 VAL A 37 0.755 15.336 -15.280 1.00 75.04 H new ATOM 0 HG21 VAL A 37 1.052 17.797 -17.118 1.00 61.02 H new ATOM 0 HG22 VAL A 37 2.427 16.987 -16.328 1.00 61.02 H new ATOM 0 HG23 VAL A 37 2.415 17.199 -18.095 1.00 61.02 H new ATOM 579 N GLY A 38 1.447 12.252 -17.049 1.00 55.34 N ATOM 580 CA GLY A 38 0.793 10.989 -17.337 1.00 64.23 C ATOM 581 C GLY A 38 -0.109 10.532 -16.208 1.00 41.01 C ATOM 582 O GLY A 38 0.133 10.849 -15.044 1.00 73.22 O ATOM 0 H GLY A 38 1.918 12.295 -16.145 1.00 55.34 H new ATOM 0 HA2 GLY A 38 0.206 11.088 -18.250 1.00 64.23 H new ATOM 0 HA3 GLY A 38 1.549 10.227 -17.525 1.00 64.23 H new ATOM 586 N GLY A 39 -1.154 9.786 -16.553 1.00 32.24 N ATOM 587 CA GLY A 39 -2.081 9.299 -15.548 1.00 31.41 C ATOM 588 C GLY A 39 -1.565 8.067 -14.831 1.00 64.33 C ATOM 589 O GLY A 39 -1.484 6.988 -15.417 1.00 34.10 O ATOM 0 H GLY A 39 -1.375 9.510 -17.510 1.00 32.24 H new ATOM 0 HA2 GLY A 39 -2.269 10.087 -14.819 1.00 31.41 H new ATOM 0 HA3 GLY A 39 -3.036 9.067 -16.021 1.00 31.41 H new ATOM 593 N ASN A 40 -1.212 8.228 -13.560 1.00 64.11 N ATOM 594 CA ASN A 40 -0.698 7.120 -12.763 1.00 64.12 C ATOM 595 C ASN A 40 0.676 6.682 -13.263 1.00 31.14 C ATOM 596 O ASN A 40 1.485 7.506 -13.688 1.00 50.31 O ATOM 597 CB ASN A 40 -1.669 5.939 -12.807 1.00 72.24 C ATOM 598 CG ASN A 40 -3.113 6.383 -12.939 1.00 33.33 C ATOM 599 OD1 ASN A 40 -3.626 7.121 -12.097 1.00 74.34 O ATOM 600 ND2 ASN A 40 -3.776 5.933 -13.998 1.00 13.40 N ATOM 0 H ASN A 40 -1.272 9.115 -13.060 1.00 64.11 H new ATOM 0 HA ASN A 40 -0.599 7.462 -11.733 1.00 64.12 H new ATOM 0 HB2 ASN A 40 -1.412 5.292 -13.646 1.00 72.24 H new ATOM 0 HB3 ASN A 40 -1.556 5.345 -11.900 1.00 72.24 H new ATOM 0 HD21 ASN A 40 -4.751 6.197 -14.139 1.00 13.40 H new ATOM 0 HD22 ASN A 40 -3.310 5.323 -14.670 1.00 13.40 H new ATOM 607 N SER A 41 0.931 5.379 -13.208 1.00 65.40 N ATOM 608 CA SER A 41 2.208 4.831 -13.652 1.00 31.23 C ATOM 609 C SER A 41 3.325 5.203 -12.682 1.00 23.22 C ATOM 610 O SER A 41 3.705 6.368 -12.573 1.00 31.23 O ATOM 611 CB SER A 41 2.545 5.339 -15.055 1.00 30.21 C ATOM 612 OG SER A 41 3.384 6.479 -14.996 1.00 51.44 O ATOM 0 H SER A 41 0.271 4.683 -12.861 1.00 65.40 H new ATOM 0 HA SER A 41 2.120 3.745 -13.678 1.00 31.23 H new ATOM 0 HB2 SER A 41 3.038 4.550 -15.622 1.00 30.21 H new ATOM 0 HB3 SER A 41 1.626 5.587 -15.586 1.00 30.21 H new ATOM 0 HG SER A 41 3.149 7.018 -14.212 1.00 51.44 H new ATOM 618 N ASN A 42 3.848 4.203 -11.979 1.00 73.22 N ATOM 619 CA ASN A 42 4.921 4.424 -11.017 1.00 64.23 C ATOM 620 C ASN A 42 6.161 4.986 -11.706 1.00 2.53 C ATOM 621 O ASN A 42 6.787 5.923 -11.211 1.00 54.42 O ATOM 622 CB ASN A 42 5.270 3.117 -10.302 1.00 4.00 C ATOM 623 CG ASN A 42 6.008 3.351 -8.998 1.00 24.00 C ATOM 624 OD1 ASN A 42 7.067 2.770 -8.758 1.00 42.43 O ATOM 625 ND2 ASN A 42 5.451 4.205 -8.148 1.00 34.04 N ATOM 0 H ASN A 42 3.546 3.232 -12.058 1.00 73.22 H new ATOM 0 HA ASN A 42 4.574 5.151 -10.283 1.00 64.23 H new ATOM 0 HB2 ASN A 42 4.355 2.559 -10.103 1.00 4.00 H new ATOM 0 HB3 ASN A 42 5.884 2.500 -10.958 1.00 4.00 H new ATOM 0 HD21 ASN A 42 5.902 4.402 -7.254 1.00 34.04 H new ATOM 0 HD22 ASN A 42 4.572 4.664 -8.388 1.00 34.04 H new ATOM 632 N ASN A 43 6.510 4.408 -12.850 1.00 72.23 N ATOM 633 CA ASN A 43 7.675 4.851 -13.607 1.00 52.42 C ATOM 634 C ASN A 43 8.952 4.678 -12.791 1.00 62.32 C ATOM 635 O ASN A 43 8.920 4.672 -11.560 1.00 55.45 O ATOM 636 CB ASN A 43 7.514 6.316 -14.018 1.00 42.34 C ATOM 637 CG ASN A 43 8.848 7.010 -14.221 1.00 33.51 C ATOM 638 OD1 ASN A 43 9.522 6.800 -15.229 1.00 51.15 O ATOM 639 ND2 ASN A 43 9.234 7.840 -13.260 1.00 5.22 N ATOM 0 H ASN A 43 6.003 3.631 -13.274 1.00 72.23 H new ATOM 0 HA ASN A 43 7.751 4.235 -14.503 1.00 52.42 H new ATOM 0 HB2 ASN A 43 6.935 6.370 -14.940 1.00 42.34 H new ATOM 0 HB3 ASN A 43 6.945 6.845 -13.253 1.00 42.34 H new ATOM 0 HD21 ASN A 43 10.122 8.335 -13.340 1.00 5.22 H new ATOM 0 HD22 ASN A 43 8.642 7.983 -12.442 1.00 5.22 H new ATOM 646 N PHE A 44 10.077 4.536 -13.485 1.00 55.43 N ATOM 647 CA PHE A 44 11.365 4.362 -12.826 1.00 4.22 C ATOM 648 C PHE A 44 12.489 4.244 -13.851 1.00 4.21 C ATOM 649 O PHE A 44 12.380 3.501 -14.827 1.00 54.11 O ATOM 650 CB PHE A 44 11.342 3.120 -11.933 1.00 74.42 C ATOM 651 CG PHE A 44 11.861 3.368 -10.546 1.00 13.12 C ATOM 652 CD1 PHE A 44 11.408 4.448 -9.806 1.00 2.43 C ATOM 653 CD2 PHE A 44 12.802 2.522 -9.982 1.00 72.41 C ATOM 654 CE1 PHE A 44 11.884 4.680 -8.529 1.00 34.25 C ATOM 655 CE2 PHE A 44 13.280 2.748 -8.705 1.00 65.35 C ATOM 656 CZ PHE A 44 12.822 3.829 -7.978 1.00 72.33 C ATOM 0 H PHE A 44 10.122 4.538 -14.504 1.00 55.43 H new ATOM 0 HA PHE A 44 11.550 5.241 -12.209 1.00 4.22 H new ATOM 0 HB2 PHE A 44 10.319 2.748 -11.868 1.00 74.42 H new ATOM 0 HB3 PHE A 44 11.938 2.336 -12.400 1.00 74.42 H new ATOM 0 HD1 PHE A 44 10.674 5.117 -10.232 1.00 2.43 H new ATOM 0 HD2 PHE A 44 13.166 1.676 -10.547 1.00 72.41 H new ATOM 0 HE1 PHE A 44 11.523 5.526 -7.963 1.00 34.25 H new ATOM 0 HE2 PHE A 44 14.012 2.079 -8.276 1.00 65.35 H new ATOM 0 HZ PHE A 44 13.196 4.009 -6.981 1.00 72.33 H new ATOM 666 N LEU A 45 13.570 4.983 -13.623 1.00 32.34 N ATOM 667 CA LEU A 45 14.715 4.962 -14.526 1.00 2.41 C ATOM 668 C LEU A 45 15.561 3.713 -14.305 1.00 21.52 C ATOM 669 O LEU A 45 16.633 3.562 -14.892 1.00 50.43 O ATOM 670 CB LEU A 45 15.571 6.214 -14.324 1.00 24.24 C ATOM 671 CG LEU A 45 14.853 7.553 -14.494 1.00 4.11 C ATOM 672 CD1 LEU A 45 14.212 7.985 -13.185 1.00 13.04 C ATOM 673 CD2 LEU A 45 15.820 8.617 -14.993 1.00 24.04 C ATOM 0 H LEU A 45 13.677 5.604 -12.821 1.00 32.34 H new ATOM 0 HA LEU A 45 14.339 4.947 -15.549 1.00 2.41 H new ATOM 0 HB2 LEU A 45 15.999 6.179 -13.322 1.00 24.24 H new ATOM 0 HB3 LEU A 45 16.403 6.179 -15.028 1.00 24.24 H new ATOM 0 HG LEU A 45 14.065 7.429 -15.237 1.00 4.11 H new ATOM 0 HD11 LEU A 45 13.706 8.940 -13.326 1.00 13.04 H new ATOM 0 HD12 LEU A 45 13.488 7.234 -12.869 1.00 13.04 H new ATOM 0 HD13 LEU A 45 14.982 8.091 -12.421 1.00 13.04 H new ATOM 0 HD21 LEU A 45 15.292 9.563 -15.108 1.00 24.04 H new ATOM 0 HD22 LEU A 45 16.630 8.739 -14.274 1.00 24.04 H new ATOM 0 HD23 LEU A 45 16.232 8.312 -15.955 1.00 24.04 H new ATOM 685 N THR A 46 15.071 2.815 -13.455 1.00 2.33 N ATOM 686 CA THR A 46 15.781 1.578 -13.157 1.00 32.24 C ATOM 687 C THR A 46 15.041 0.370 -13.721 1.00 42.21 C ATOM 688 O THR A 46 13.990 0.510 -14.347 1.00 62.51 O ATOM 689 CB THR A 46 15.967 1.388 -11.639 1.00 52.33 C ATOM 690 OG1 THR A 46 15.508 2.551 -10.941 1.00 21.04 O ATOM 691 CG2 THR A 46 17.427 1.131 -11.301 1.00 64.52 C ATOM 0 H THR A 46 14.185 2.922 -12.961 1.00 2.33 H new ATOM 0 HA THR A 46 16.760 1.655 -13.629 1.00 32.24 H new ATOM 0 HB THR A 46 15.381 0.523 -11.328 1.00 52.33 H new ATOM 0 HG1 THR A 46 14.795 2.298 -10.318 1.00 21.04 H new ATOM 0 HG21 THR A 46 17.534 1.000 -10.224 1.00 64.52 H new ATOM 0 HG22 THR A 46 17.765 0.229 -11.811 1.00 64.52 H new ATOM 0 HG23 THR A 46 18.030 1.979 -11.625 1.00 64.52 H new ATOM 699 N LYS A 47 15.596 -0.816 -13.496 1.00 11.14 N ATOM 700 CA LYS A 47 14.988 -2.050 -13.980 1.00 2.32 C ATOM 701 C LYS A 47 14.712 -3.009 -12.827 1.00 21.24 C ATOM 702 O LYS A 47 13.558 -3.273 -12.490 1.00 62.24 O ATOM 703 CB LYS A 47 15.900 -2.722 -15.009 1.00 52.41 C ATOM 704 CG LYS A 47 15.162 -3.644 -15.964 1.00 64.22 C ATOM 705 CD LYS A 47 15.203 -5.087 -15.489 1.00 14.25 C ATOM 706 CE LYS A 47 16.340 -5.858 -16.142 1.00 14.44 C ATOM 707 NZ LYS A 47 15.879 -6.619 -17.336 1.00 23.24 N ATOM 0 H LYS A 47 16.466 -0.949 -12.981 1.00 11.14 H new ATOM 0 HA LYS A 47 14.040 -1.797 -14.454 1.00 2.32 H new ATOM 0 HB2 LYS A 47 16.414 -1.952 -15.585 1.00 52.41 H new ATOM 0 HB3 LYS A 47 16.666 -3.293 -14.485 1.00 52.41 H new ATOM 0 HG2 LYS A 47 14.125 -3.320 -16.056 1.00 64.22 H new ATOM 0 HG3 LYS A 47 15.608 -3.574 -16.956 1.00 64.22 H new ATOM 0 HD2 LYS A 47 15.321 -5.111 -14.406 1.00 14.25 H new ATOM 0 HD3 LYS A 47 14.254 -5.573 -15.717 1.00 14.25 H new ATOM 0 HE2 LYS A 47 17.128 -5.164 -16.435 1.00 14.44 H new ATOM 0 HE3 LYS A 47 16.775 -6.547 -15.418 1.00 14.44 H new ATOM 0 HZ1 LYS A 47 16.683 -7.131 -17.753 1.00 23.24 H new ATOM 0 HZ2 LYS A 47 15.145 -7.299 -17.052 1.00 23.24 H new ATOM 0 HZ3 LYS A 47 15.487 -5.959 -18.038 1.00 23.24 H new ATOM 721 N GLU A 48 15.779 -3.526 -12.224 1.00 75.35 N ATOM 722 CA GLU A 48 15.649 -4.456 -11.108 1.00 41.15 C ATOM 723 C GLU A 48 14.799 -3.853 -9.994 1.00 3.33 C ATOM 724 O GLU A 48 13.891 -4.500 -9.471 1.00 44.35 O ATOM 725 CB GLU A 48 17.030 -4.831 -10.566 1.00 34.50 C ATOM 726 CG GLU A 48 17.439 -6.261 -10.879 1.00 55.15 C ATOM 727 CD GLU A 48 18.422 -6.821 -9.870 1.00 73.21 C ATOM 728 OE1 GLU A 48 19.632 -6.543 -10.005 1.00 31.35 O ATOM 729 OE2 GLU A 48 17.982 -7.537 -8.947 1.00 33.13 O ATOM 0 H GLU A 48 16.741 -3.317 -12.489 1.00 75.35 H new ATOM 0 HA GLU A 48 15.153 -5.356 -11.473 1.00 41.15 H new ATOM 0 HB2 GLU A 48 17.772 -4.150 -10.983 1.00 34.50 H new ATOM 0 HB3 GLU A 48 17.038 -4.688 -9.485 1.00 34.50 H new ATOM 0 HG2 GLU A 48 16.550 -6.892 -10.904 1.00 55.15 H new ATOM 0 HG3 GLU A 48 17.884 -6.298 -11.873 1.00 55.15 H new ATOM 736 N ASP A 49 15.101 -2.610 -9.634 1.00 43.04 N ATOM 737 CA ASP A 49 14.366 -1.918 -8.582 1.00 73.13 C ATOM 738 C ASP A 49 12.862 -2.006 -8.823 1.00 11.31 C ATOM 739 O ASP A 49 12.069 -1.970 -7.882 1.00 34.13 O ATOM 740 CB ASP A 49 14.798 -0.453 -8.507 1.00 23.01 C ATOM 741 CG ASP A 49 16.069 -0.265 -7.702 1.00 63.30 C ATOM 742 OD1 ASP A 49 17.062 -0.965 -7.990 1.00 44.04 O ATOM 743 OD2 ASP A 49 16.071 0.581 -6.783 1.00 74.31 O ATOM 0 H ASP A 49 15.850 -2.061 -10.056 1.00 43.04 H new ATOM 0 HA ASP A 49 14.593 -2.404 -7.633 1.00 73.13 H new ATOM 0 HB2 ASP A 49 14.950 -0.070 -9.516 1.00 23.01 H new ATOM 0 HB3 ASP A 49 13.998 0.136 -8.060 1.00 23.01 H new ATOM 748 N CYS A 50 12.476 -2.119 -10.089 1.00 61.23 N ATOM 749 CA CYS A 50 11.068 -2.210 -10.455 1.00 72.11 C ATOM 750 C CYS A 50 10.330 -3.184 -9.541 1.00 22.12 C ATOM 751 O CYS A 50 9.322 -2.834 -8.927 1.00 30.15 O ATOM 752 CB CYS A 50 10.925 -2.654 -11.912 1.00 64.03 C ATOM 753 SG CYS A 50 9.238 -2.490 -12.578 1.00 14.20 S ATOM 0 H CYS A 50 13.120 -2.150 -10.880 1.00 61.23 H new ATOM 0 HA CYS A 50 10.624 -1.221 -10.338 1.00 72.11 H new ATOM 0 HB2 CYS A 50 11.606 -2.066 -12.528 1.00 64.03 H new ATOM 0 HB3 CYS A 50 11.237 -3.695 -11.996 1.00 64.03 H new ATOM 758 N CYS A 51 10.840 -4.408 -9.455 1.00 61.23 N ATOM 759 CA CYS A 51 10.231 -5.434 -8.617 1.00 43.10 C ATOM 760 C CYS A 51 10.210 -4.999 -7.154 1.00 53.15 C ATOM 761 O CYS A 51 9.253 -5.271 -6.429 1.00 53.14 O ATOM 762 CB CYS A 51 10.992 -6.754 -8.757 1.00 30.03 C ATOM 763 SG CYS A 51 9.924 -8.229 -8.776 1.00 35.43 S ATOM 0 H CYS A 51 11.674 -4.714 -9.956 1.00 61.23 H new ATOM 0 HA CYS A 51 9.203 -5.578 -8.950 1.00 43.10 H new ATOM 0 HB2 CYS A 51 11.575 -6.729 -9.677 1.00 30.03 H new ATOM 0 HB3 CYS A 51 11.700 -6.842 -7.933 1.00 30.03 H new ATOM 768 N ARG A 52 11.271 -4.322 -6.729 1.00 0.24 N ATOM 769 CA ARG A 52 11.375 -3.850 -5.353 1.00 53.11 C ATOM 770 C ARG A 52 10.189 -2.959 -4.993 1.00 63.02 C ATOM 771 O ARG A 52 9.671 -3.020 -3.879 1.00 21.31 O ATOM 772 CB ARG A 52 12.683 -3.083 -5.152 1.00 13.51 C ATOM 773 CG ARG A 52 13.404 -3.437 -3.862 1.00 3.41 C ATOM 774 CD ARG A 52 13.804 -4.903 -3.832 1.00 22.42 C ATOM 775 NE ARG A 52 13.112 -5.638 -2.777 1.00 34.04 N ATOM 776 CZ ARG A 52 13.470 -6.850 -2.369 1.00 34.45 C ATOM 777 NH1 ARG A 52 14.507 -7.461 -2.924 1.00 2.10 N ATOM 778 NH2 ARG A 52 12.789 -7.454 -1.402 1.00 64.35 N ATOM 0 H ARG A 52 12.071 -4.088 -7.317 1.00 0.24 H new ATOM 0 HA ARG A 52 11.367 -4.719 -4.695 1.00 53.11 H new ATOM 0 HB2 ARG A 52 13.345 -3.283 -5.995 1.00 13.51 H new ATOM 0 HB3 ARG A 52 12.472 -2.014 -5.159 1.00 13.51 H new ATOM 0 HG2 ARG A 52 14.292 -2.814 -3.758 1.00 3.41 H new ATOM 0 HG3 ARG A 52 12.759 -3.217 -3.011 1.00 3.41 H new ATOM 0 HD2 ARG A 52 13.582 -5.359 -4.797 1.00 22.42 H new ATOM 0 HD3 ARG A 52 14.881 -4.982 -3.682 1.00 22.42 H new ATOM 0 HE ARG A 52 12.309 -5.196 -2.329 1.00 34.04 H new ATOM 0 HH11 ARG A 52 15.033 -7.000 -3.667 1.00 2.10 H new ATOM 0 HH12 ARG A 52 14.779 -8.392 -2.608 1.00 2.10 H new ATOM 0 HH21 ARG A 52 11.990 -6.987 -0.972 1.00 64.35 H new ATOM 0 HH22 ARG A 52 13.064 -8.385 -1.089 1.00 64.35 H new ATOM 792 N GLU A 53 9.767 -2.132 -5.944 1.00 73.14 N ATOM 793 CA GLU A 53 8.644 -1.228 -5.726 1.00 74.02 C ATOM 794 C GLU A 53 7.420 -1.991 -5.226 1.00 3.01 C ATOM 795 O GLU A 53 6.613 -1.460 -4.463 1.00 34.21 O ATOM 796 CB GLU A 53 8.301 -0.484 -7.018 1.00 53.33 C ATOM 797 CG GLU A 53 8.752 0.967 -7.023 1.00 43.11 C ATOM 798 CD GLU A 53 9.443 1.359 -8.315 1.00 73.11 C ATOM 799 OE1 GLU A 53 9.095 0.787 -9.370 1.00 24.13 O ATOM 800 OE2 GLU A 53 10.330 2.237 -8.272 1.00 32.40 O ATOM 0 H GLU A 53 10.185 -2.069 -6.872 1.00 73.14 H new ATOM 0 HA GLU A 53 8.936 -0.505 -4.965 1.00 74.02 H new ATOM 0 HB2 GLU A 53 8.762 -1.002 -7.859 1.00 53.33 H new ATOM 0 HB3 GLU A 53 7.223 -0.521 -7.173 1.00 53.33 H new ATOM 0 HG2 GLU A 53 7.888 1.613 -6.867 1.00 43.11 H new ATOM 0 HG3 GLU A 53 9.431 1.136 -6.187 1.00 43.11 H new ATOM 807 N CYS A 54 7.290 -3.240 -5.662 1.00 2.54 N ATOM 808 CA CYS A 54 6.166 -4.077 -5.260 1.00 42.23 C ATOM 809 C CYS A 54 6.632 -5.217 -4.359 1.00 74.03 C ATOM 810 O CYS A 54 5.820 -5.896 -3.731 1.00 62.32 O ATOM 811 CB CYS A 54 5.459 -4.643 -6.493 1.00 51.44 C ATOM 812 SG CYS A 54 3.641 -4.565 -6.409 1.00 11.31 S ATOM 0 H CYS A 54 7.949 -3.694 -6.294 1.00 2.54 H new ATOM 0 HA CYS A 54 5.465 -3.458 -4.700 1.00 42.23 H new ATOM 0 HB2 CYS A 54 5.795 -4.096 -7.374 1.00 51.44 H new ATOM 0 HB3 CYS A 54 5.762 -5.681 -6.627 1.00 51.44 H new ATOM 817 N ALA A 55 7.944 -5.420 -4.302 1.00 33.25 N ATOM 818 CA ALA A 55 8.518 -6.476 -3.476 1.00 53.33 C ATOM 819 C ALA A 55 8.194 -6.257 -2.002 1.00 64.12 C ATOM 820 O ALA A 55 8.311 -7.174 -1.190 1.00 33.31 O ATOM 821 CB ALA A 55 10.023 -6.548 -3.683 1.00 43.34 C ATOM 0 H ALA A 55 8.629 -4.868 -4.817 1.00 33.25 H new ATOM 0 HA ALA A 55 8.075 -7.424 -3.781 1.00 53.33 H new ATOM 0 HB1 ALA A 55 10.438 -7.340 -3.060 1.00 43.34 H new ATOM 0 HB2 ALA A 55 10.236 -6.760 -4.731 1.00 43.34 H new ATOM 0 HB3 ALA A 55 10.474 -5.595 -3.407 1.00 43.34 H new ATOM 827 N GLN A 56 7.789 -5.037 -1.665 1.00 22.14 N ATOM 828 CA GLN A 56 7.451 -4.699 -0.287 1.00 71.02 C ATOM 829 C GLN A 56 6.141 -5.360 0.129 1.00 11.44 C ATOM 830 O GLN A 56 5.872 -5.534 1.317 1.00 24.32 O ATOM 831 CB GLN A 56 7.345 -3.182 -0.123 1.00 44.24 C ATOM 832 CG GLN A 56 8.525 -2.423 -0.709 1.00 62.23 C ATOM 833 CD GLN A 56 9.859 -2.936 -0.202 1.00 53.12 C ATOM 834 OE1 GLN A 56 10.747 -3.272 -0.986 1.00 53.35 O ATOM 835 NE2 GLN A 56 10.007 -2.999 1.116 1.00 54.21 N ATOM 0 H GLN A 56 7.687 -4.267 -2.326 1.00 22.14 H new ATOM 0 HA GLN A 56 8.246 -5.072 0.358 1.00 71.02 H new ATOM 0 HB2 GLN A 56 6.428 -2.836 -0.600 1.00 44.24 H new ATOM 0 HB3 GLN A 56 7.261 -2.944 0.938 1.00 44.24 H new ATOM 0 HG2 GLN A 56 8.499 -2.502 -1.796 1.00 62.23 H new ATOM 0 HG3 GLN A 56 8.430 -1.365 -0.464 1.00 62.23 H new ATOM 0 HE21 GLN A 56 9.245 -2.710 1.729 1.00 54.21 H new ATOM 0 HE22 GLN A 56 10.883 -3.336 1.515 1.00 54.21 H new ATOM 844 N GLY A 57 5.328 -5.725 -0.857 1.00 53.32 N ATOM 845 CA GLY A 57 4.055 -6.361 -0.572 1.00 61.45 C ATOM 846 C GLY A 57 3.469 -7.055 -1.787 1.00 1.55 C ATOM 847 O GLY A 57 2.277 -6.929 -2.066 1.00 50.44 O ATOM 0 H GLY A 57 5.528 -5.592 -1.848 1.00 53.32 H new ATOM 0 HA2 GLY A 57 4.187 -7.088 0.230 1.00 61.45 H new ATOM 0 HA3 GLY A 57 3.351 -5.612 -0.210 1.00 61.45 H new ATOM 851 N SER A 58 4.309 -7.787 -2.511 1.00 30.34 N ATOM 852 CA SER A 58 3.869 -8.499 -3.705 1.00 15.41 C ATOM 853 C SER A 58 5.011 -9.312 -4.305 1.00 43.34 C ATOM 854 O SER A 58 5.006 -10.542 -4.257 1.00 72.11 O ATOM 855 CB SER A 58 3.330 -7.512 -4.742 1.00 54.23 C ATOM 856 OG SER A 58 2.275 -8.087 -5.494 1.00 31.12 O ATOM 0 H SER A 58 5.298 -7.903 -2.292 1.00 30.34 H new ATOM 0 HA SER A 58 3.072 -9.184 -3.417 1.00 15.41 H new ATOM 0 HB2 SER A 58 2.975 -6.611 -4.241 1.00 54.23 H new ATOM 0 HB3 SER A 58 4.134 -7.208 -5.412 1.00 54.23 H new ATOM 0 HG SER A 58 2.440 -7.946 -6.450 1.00 31.12 H new ATOM 862 N CYS A 59 5.991 -8.615 -4.872 1.00 10.15 N ATOM 863 CA CYS A 59 7.141 -9.270 -5.483 1.00 3.44 C ATOM 864 C CYS A 59 8.086 -9.816 -4.416 1.00 61.22 C ATOM 865 O CYS A 59 7.770 -9.800 -3.226 1.00 44.14 O ATOM 866 CB CYS A 59 7.890 -8.290 -6.389 1.00 73.42 C ATOM 867 SG CYS A 59 9.500 -8.905 -6.978 1.00 42.14 S ATOM 0 H CYS A 59 6.011 -7.596 -4.921 1.00 10.15 H new ATOM 0 HA CYS A 59 6.777 -10.104 -6.083 1.00 3.44 H new ATOM 0 HB2 CYS A 59 7.264 -8.058 -7.251 1.00 73.42 H new ATOM 0 HB3 CYS A 59 8.045 -7.357 -5.847 1.00 73.42 H new