USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= 0.0424 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= -0.0322 (180deg=-0.164) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-3.9!) USER MOD Single : A 42 ASN : amide:sc= -0.582 K(o=-0.58,f=-4!) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.82) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 44:sc= 1.03 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -59:sc= -1.03 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 76:sc= 0.519 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.22) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -3.69! K(o=-3.7!,f=-0.059) USER MOD Single : A 90 ASN : amide:sc= 0.674 K(o=0.67,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.241 -6.353 -9.850 1.00 0.00 N ATOM 82 CA TYR A 9 -4.071 -5.491 -9.960 1.00 0.00 C ATOM 83 C TYR A 9 -3.027 -6.120 -10.890 1.00 0.00 C ATOM 84 O TYR A 9 -3.027 -7.334 -11.097 1.00 0.00 O ATOM 85 CB TYR A 9 -3.494 -5.258 -8.558 1.00 0.00 C ATOM 86 CG TYR A 9 -4.548 -4.979 -7.503 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.160 -6.049 -6.820 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.952 -3.658 -7.238 1.00 0.00 C ATOM 89 CE1 TYR A 9 -6.229 -5.811 -5.937 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.976 -3.406 -6.307 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.654 -4.484 -5.697 1.00 0.00 C ATOM 92 OH TYR A 9 -7.562 -4.226 -4.718 1.00 0.00 O ATOM 0 HA TYR A 9 -4.358 -4.532 -10.392 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.919 -6.135 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.799 -4.419 -8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.806 -7.058 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.475 -2.836 -7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.722 -6.637 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.243 -2.389 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.469 -4.889 -4.003 1.00 0.00 H new ATOM 102 N LYS A 10 -2.124 -5.306 -11.441 1.00 0.00 N ATOM 103 CA LYS A 10 -1.013 -5.720 -12.301 1.00 0.00 C ATOM 104 C LYS A 10 0.189 -4.837 -11.987 1.00 0.00 C ATOM 105 O LYS A 10 0.031 -3.844 -11.274 1.00 0.00 O ATOM 106 CB LYS A 10 -1.395 -5.588 -13.784 1.00 0.00 C ATOM 107 CG LYS A 10 -2.677 -6.360 -14.111 1.00 0.00 C ATOM 108 CD LYS A 10 -2.891 -6.499 -15.618 1.00 0.00 C ATOM 109 CE LYS A 10 -4.303 -7.017 -15.899 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.499 -8.439 -15.541 1.00 0.00 N ATOM 0 H LYS A 10 -2.148 -4.297 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.772 -6.766 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.531 -4.535 -14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.579 -5.959 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.630 -7.350 -13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.532 -5.848 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.744 -5.535 -16.105 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.153 -7.183 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.019 -6.410 -15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.525 -6.885 -16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.476 -8.720 -15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.839 -9.029 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.319 -8.569 -14.525 1.00 0.00 H new ATOM 124 N ALA A 11 1.374 -5.204 -12.481 1.00 0.00 N ATOM 125 CA ALA A 11 2.594 -4.445 -12.244 1.00 0.00 C ATOM 126 C ALA A 11 2.376 -3.013 -12.710 1.00 0.00 C ATOM 127 O ALA A 11 1.992 -2.798 -13.866 1.00 0.00 O ATOM 128 CB ALA A 11 3.776 -5.078 -12.975 1.00 0.00 C ATOM 0 H ALA A 11 1.510 -6.036 -13.056 1.00 0.00 H new ATOM 0 HA ALA A 11 2.827 -4.451 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.677 -4.495 -12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.921 -6.097 -12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.575 -5.094 -14.046 1.00 0.00 H new ATOM 134 N GLY A 12 2.634 -2.046 -11.835 1.00 0.00 N ATOM 135 CA GLY A 12 2.254 -0.659 -12.059 1.00 0.00 C ATOM 136 C GLY A 12 1.011 -0.274 -11.255 1.00 0.00 C ATOM 137 O GLY A 12 0.214 0.538 -11.729 1.00 0.00 O ATOM 0 H GLY A 12 3.114 -2.205 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.082 -0.006 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.064 -0.501 -13.121 1.00 0.00 H new ATOM 141 N ASP A 13 0.827 -0.849 -10.062 1.00 0.00 N ATOM 142 CA ASP A 13 -0.136 -0.362 -9.075 1.00 0.00 C ATOM 143 C ASP A 13 0.561 -0.261 -7.723 1.00 0.00 C ATOM 144 O ASP A 13 1.667 -0.788 -7.527 1.00 0.00 O ATOM 145 CB ASP A 13 -1.387 -1.263 -8.957 1.00 0.00 C ATOM 146 CG ASP A 13 -2.696 -0.460 -8.914 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.707 0.700 -8.423 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.733 -0.992 -9.368 1.00 0.00 O ATOM 0 H ASP A 13 1.347 -1.671 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.489 0.615 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.415 -1.950 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.308 -1.870 -8.055 1.00 0.00 H new ATOM 153 N LEU A 14 -0.105 0.380 -6.770 1.00 0.00 N ATOM 154 CA LEU A 14 0.261 0.433 -5.364 1.00 0.00 C ATOM 155 C LEU A 14 -0.925 -0.099 -4.586 1.00 0.00 C ATOM 156 O LEU A 14 -2.066 0.089 -5.012 1.00 0.00 O ATOM 157 CB LEU A 14 0.596 1.880 -4.969 1.00 0.00 C ATOM 158 CG LEU A 14 1.879 2.393 -5.641 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.128 3.855 -5.269 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.078 1.527 -5.247 1.00 0.00 C ATOM 0 H LEU A 14 -0.958 0.903 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 14 1.146 -0.167 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.237 2.529 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.708 1.941 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 14 1.751 2.328 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.040 4.203 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.286 4.463 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.235 3.942 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.977 1.907 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.210 1.558 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.903 0.498 -5.561 1.00 0.00 H new ATOM 172 N VAL A 15 -0.689 -0.756 -3.449 1.00 0.00 N ATOM 173 CA VAL A 15 -1.737 -1.409 -2.666 1.00 0.00 C ATOM 174 C VAL A 15 -1.378 -1.387 -1.176 1.00 0.00 C ATOM 175 O VAL A 15 -0.261 -1.025 -0.805 1.00 0.00 O ATOM 176 CB VAL A 15 -1.976 -2.842 -3.203 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.478 -2.815 -4.655 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.738 -3.747 -3.120 1.00 0.00 C ATOM 0 H VAL A 15 0.242 -0.850 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.674 -0.863 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.738 -3.267 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.637 -3.835 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.417 -2.264 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.737 -2.326 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.982 -4.734 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.071 -3.312 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.423 -3.839 -2.080 1.00 0.00 H new ATOM 188 N PHE A 16 -2.296 -1.784 -0.298 1.00 0.00 N ATOM 189 CA PHE A 16 -1.967 -2.173 1.068 1.00 0.00 C ATOM 190 C PHE A 16 -2.112 -3.691 1.162 1.00 0.00 C ATOM 191 O PHE A 16 -2.938 -4.274 0.454 1.00 0.00 O ATOM 192 CB PHE A 16 -2.856 -1.444 2.084 1.00 0.00 C ATOM 193 CG PHE A 16 -2.660 0.059 2.105 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.377 0.882 1.213 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.760 0.638 3.021 1.00 0.00 C ATOM 196 CE1 PHE A 16 -3.192 2.275 1.241 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.584 2.032 3.050 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.295 2.852 2.157 1.00 0.00 C ATOM 0 H PHE A 16 -3.291 -1.845 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.944 -1.887 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.900 -1.661 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.654 -1.841 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.068 0.443 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.205 0.010 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.741 2.904 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.901 2.474 3.760 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.153 3.922 2.174 1.00 0.00 H new ATOM 208 N ALA A 17 -1.318 -4.324 2.029 1.00 0.00 N ATOM 209 CA ALA A 17 -1.291 -5.769 2.226 1.00 0.00 C ATOM 210 C ALA A 17 -1.521 -6.099 3.703 1.00 0.00 C ATOM 211 O ALA A 17 -1.029 -5.365 4.571 1.00 0.00 O ATOM 212 CB ALA A 17 0.053 -6.315 1.740 1.00 0.00 C ATOM 0 H ALA A 17 -0.659 -3.828 2.629 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.089 -6.239 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.081 -7.395 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.177 -6.087 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.860 -5.852 2.308 1.00 0.00 H new ATOM 218 N LYS A 18 -2.220 -7.198 4.023 1.00 0.00 N ATOM 219 CA LYS A 18 -2.578 -7.520 5.408 1.00 0.00 C ATOM 220 C LYS A 18 -2.166 -8.948 5.744 1.00 0.00 C ATOM 221 O LYS A 18 -2.830 -9.917 5.365 1.00 0.00 O ATOM 222 CB LYS A 18 -4.085 -7.300 5.579 1.00 0.00 C ATOM 223 CG LYS A 18 -4.573 -7.300 7.033 1.00 0.00 C ATOM 224 CD LYS A 18 -4.250 -5.976 7.751 1.00 0.00 C ATOM 225 CE LYS A 18 -5.399 -5.528 8.663 1.00 0.00 C ATOM 226 NZ LYS A 18 -5.296 -6.027 10.046 1.00 0.00 N ATOM 0 H LYS A 18 -2.548 -7.879 3.338 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.047 -6.869 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.354 -6.348 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.616 -8.079 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.649 -7.470 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.109 -8.127 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.342 -6.095 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.049 -5.201 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.430 -4.439 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.342 -5.867 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.709 -5.330 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.811 -6.927 10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.296 -6.177 10.287 1.00 0.00 H new ATOM 240 N MET A 19 -1.100 -9.058 6.527 1.00 0.00 N ATOM 241 CA MET A 19 -0.613 -10.311 7.089 1.00 0.00 C ATOM 242 C MET A 19 -1.270 -10.551 8.447 1.00 0.00 C ATOM 243 O MET A 19 -1.934 -9.662 8.990 1.00 0.00 O ATOM 244 CB MET A 19 0.917 -10.237 7.176 1.00 0.00 C ATOM 245 CG MET A 19 1.524 -10.360 5.777 1.00 0.00 C ATOM 246 SD MET A 19 3.171 -9.665 5.554 1.00 0.00 S ATOM 247 CE MET A 19 4.121 -10.690 6.689 1.00 0.00 C ATOM 0 H MET A 19 -0.534 -8.253 6.796 1.00 0.00 H new ATOM 0 HA MET A 19 -0.876 -11.159 6.457 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.219 -9.294 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.293 -11.035 7.816 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.560 -11.417 5.512 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.851 -9.877 5.069 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.167 -10.384 6.667 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.730 -10.573 7.700 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.042 -11.735 6.388 1.00 0.00 H new ATOM 257 N LYS A 20 -1.087 -11.741 9.025 1.00 0.00 N ATOM 258 CA LYS A 20 -1.540 -12.017 10.390 1.00 0.00 C ATOM 259 C LYS A 20 -0.851 -11.057 11.356 1.00 0.00 C ATOM 260 O LYS A 20 0.339 -10.795 11.205 1.00 0.00 O ATOM 261 CB LYS A 20 -1.233 -13.472 10.771 1.00 0.00 C ATOM 262 CG LYS A 20 -2.243 -14.452 10.155 1.00 0.00 C ATOM 263 CD LYS A 20 -1.920 -15.885 10.600 1.00 0.00 C ATOM 264 CE LYS A 20 -2.977 -16.925 10.226 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.324 -16.594 10.732 1.00 0.00 N ATOM 0 H LYS A 20 -0.628 -12.529 8.568 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.619 -11.871 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.228 -13.730 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.245 -13.573 11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.254 -14.186 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.212 -14.384 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.967 -16.181 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.788 -15.894 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.017 -17.019 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.677 -17.896 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.956 -17.409 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.268 -16.365 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.698 -15.775 10.212 1.00 0.00 H new ATOM 279 N GLY A 21 -1.587 -10.535 12.339 1.00 0.00 N ATOM 280 CA GLY A 21 -1.071 -9.662 13.391 1.00 0.00 C ATOM 281 C GLY A 21 -0.727 -8.239 12.933 1.00 0.00 C ATOM 282 O GLY A 21 -0.928 -7.293 13.703 1.00 0.00 O ATOM 0 H GLY A 21 -2.587 -10.714 12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.810 -9.603 14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.177 -10.118 13.817 1.00 0.00 H new ATOM 286 N TYR A 22 -0.209 -8.083 11.714 1.00 0.00 N ATOM 287 CA TYR A 22 0.271 -6.842 11.124 1.00 0.00 C ATOM 288 C TYR A 22 -0.878 -5.902 10.730 1.00 0.00 C ATOM 289 O TYR A 22 -2.034 -6.328 10.603 1.00 0.00 O ATOM 290 CB TYR A 22 1.172 -7.210 9.927 1.00 0.00 C ATOM 291 CG TYR A 22 2.562 -7.654 10.364 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.473 -6.709 10.880 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.930 -9.014 10.320 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.717 -7.115 11.392 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.169 -9.424 10.843 1.00 0.00 C ATOM 296 CZ TYR A 22 5.069 -8.481 11.388 1.00 0.00 C ATOM 297 OH TYR A 22 6.232 -8.871 11.981 1.00 0.00 O ATOM 0 H TYR A 22 -0.109 -8.872 11.076 1.00 0.00 H new ATOM 0 HA TYR A 22 0.849 -6.281 11.858 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.702 -8.009 9.353 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.260 -6.350 9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.211 -5.661 10.882 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.260 -9.741 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.403 -6.381 11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.436 -10.470 10.828 1.00 0.00 H new ATOM 0 HH TYR A 22 6.333 -9.842 11.896 1.00 0.00 H new ATOM 307 N PRO A 23 -0.551 -4.610 10.561 1.00 0.00 N ATOM 308 CA PRO A 23 -1.428 -3.578 10.035 1.00 0.00 C ATOM 309 C PRO A 23 -1.575 -3.723 8.515 1.00 0.00 C ATOM 310 O PRO A 23 -1.034 -4.640 7.900 1.00 0.00 O ATOM 311 CB PRO A 23 -0.744 -2.263 10.429 1.00 0.00 C ATOM 312 CG PRO A 23 0.733 -2.631 10.348 1.00 0.00 C ATOM 313 CD PRO A 23 0.756 -4.049 10.853 1.00 0.00 C ATOM 0 HA PRO A 23 -2.442 -3.634 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.999 -1.451 9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.029 -1.940 11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.112 -2.559 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.347 -1.973 10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.543 -4.623 10.363 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.960 -4.077 11.923 1.00 0.00 H new ATOM 321 N HIS A 24 -2.318 -2.801 7.910 1.00 0.00 N ATOM 322 CA HIS A 24 -2.416 -2.632 6.470 1.00 0.00 C ATOM 323 C HIS A 24 -1.083 -2.044 5.998 1.00 0.00 C ATOM 324 O HIS A 24 -0.887 -0.835 6.070 1.00 0.00 O ATOM 325 CB HIS A 24 -3.614 -1.716 6.152 1.00 0.00 C ATOM 326 CG HIS A 24 -4.860 -2.030 6.942 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.180 -1.515 8.183 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.852 -2.896 6.574 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.334 -2.087 8.567 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.786 -2.925 7.617 1.00 0.00 N ATOM 0 H HIS A 24 -2.886 -2.131 8.429 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.591 -3.574 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.327 -0.682 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.843 -1.792 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.905 -3.454 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.830 -1.900 9.508 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.644 -3.476 7.650 1.00 0.00 H new ATOM 338 N TRP A 25 -0.116 -2.883 5.641 1.00 0.00 N ATOM 339 CA TRP A 25 1.245 -2.454 5.337 1.00 0.00 C ATOM 340 C TRP A 25 1.296 -1.844 3.932 1.00 0.00 C ATOM 341 O TRP A 25 0.611 -2.368 3.049 1.00 0.00 O ATOM 342 CB TRP A 25 2.200 -3.647 5.476 1.00 0.00 C ATOM 343 CG TRP A 25 3.602 -3.261 5.820 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.588 -2.911 4.963 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.176 -3.144 7.152 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.715 -2.548 5.673 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.502 -2.638 7.034 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.696 -3.427 8.449 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.295 -2.384 8.162 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.486 -3.182 9.590 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.780 -2.658 9.439 1.00 0.00 C ATOM 0 H TRP A 25 -0.256 -3.890 5.554 1.00 0.00 H new ATOM 0 HA TRP A 25 1.561 -1.685 6.042 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.819 -4.318 6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.206 -4.206 4.540 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.506 -2.915 3.886 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.593 -2.251 5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.705 -3.839 8.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.291 -1.982 8.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.098 -3.396 10.575 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.384 -2.464 10.313 1.00 0.00 H new ATOM 362 N PRO A 26 2.072 -0.770 3.691 1.00 0.00 N ATOM 363 CA PRO A 26 2.253 -0.221 2.352 1.00 0.00 C ATOM 364 C PRO A 26 3.020 -1.205 1.467 1.00 0.00 C ATOM 365 O PRO A 26 4.085 -1.686 1.856 1.00 0.00 O ATOM 366 CB PRO A 26 2.993 1.107 2.537 1.00 0.00 C ATOM 367 CG PRO A 26 3.724 0.943 3.868 1.00 0.00 C ATOM 368 CD PRO A 26 2.789 0.040 4.668 1.00 0.00 C ATOM 0 HA PRO A 26 1.303 -0.053 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.690 1.292 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.301 1.949 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.706 0.489 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.880 1.902 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.351 -0.589 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.096 0.630 5.268 1.00 0.00 H new ATOM 376 N ALA A 27 2.486 -1.532 0.289 1.00 0.00 N ATOM 377 CA ALA A 27 3.084 -2.505 -0.612 1.00 0.00 C ATOM 378 C ALA A 27 2.856 -2.098 -2.075 1.00 0.00 C ATOM 379 O ALA A 27 2.032 -1.231 -2.377 1.00 0.00 O ATOM 380 CB ALA A 27 2.501 -3.892 -0.296 1.00 0.00 C ATOM 0 H ALA A 27 1.621 -1.124 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 27 4.163 -2.541 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.941 -4.632 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.728 -4.155 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.420 -3.873 -0.436 1.00 0.00 H new ATOM 386 N ARG A 28 3.574 -2.718 -3.013 1.00 0.00 N ATOM 387 CA ARG A 28 3.459 -2.395 -4.438 1.00 0.00 C ATOM 388 C ARG A 28 3.213 -3.639 -5.275 1.00 0.00 C ATOM 389 O ARG A 28 3.479 -4.758 -4.820 1.00 0.00 O ATOM 390 CB ARG A 28 4.695 -1.596 -4.878 1.00 0.00 C ATOM 391 CG ARG A 28 5.985 -2.407 -5.064 1.00 0.00 C ATOM 392 CD ARG A 28 7.029 -1.650 -5.896 1.00 0.00 C ATOM 393 NE ARG A 28 6.632 -1.561 -7.312 1.00 0.00 N ATOM 394 CZ ARG A 28 7.435 -1.702 -8.369 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.755 -1.689 -8.243 1.00 0.00 N ATOM 396 NH2 ARG A 28 6.908 -1.878 -9.567 1.00 0.00 N ATOM 0 H ARG A 28 4.249 -3.455 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 28 2.584 -1.766 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.464 -1.095 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.882 -0.816 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.405 -2.647 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.750 -3.353 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.161 -0.647 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.992 -2.154 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 28 5.648 -1.373 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.178 -1.569 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.347 -1.799 -9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.895 -1.905 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.514 -1.987 -10.380 1.00 0.00 H new ATOM 410 N ILE A 29 2.747 -3.449 -6.511 1.00 0.00 N ATOM 411 CA ILE A 29 2.692 -4.522 -7.489 1.00 0.00 C ATOM 412 C ILE A 29 3.967 -4.415 -8.311 1.00 0.00 C ATOM 413 O ILE A 29 4.105 -3.514 -9.145 1.00 0.00 O ATOM 414 CB ILE A 29 1.404 -4.517 -8.337 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.122 -4.236 -7.531 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.263 -5.868 -9.068 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.234 -5.230 -6.430 1.00 0.00 C ATOM 0 H ILE A 29 2.401 -2.553 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 29 2.643 -5.491 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 29 1.509 -3.695 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.215 -3.249 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.714 -4.189 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.353 -5.864 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.124 -6.022 -9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.212 -6.674 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.156 -4.917 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.372 -6.220 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.572 -5.265 -5.697 1.00 0.00 H new ATOM 429 N ASP A 30 4.926 -5.286 -8.003 1.00 0.00 N ATOM 430 CA ASP A 30 6.126 -5.462 -8.811 1.00 0.00 C ATOM 431 C ASP A 30 5.825 -6.445 -9.954 1.00 0.00 C ATOM 432 O ASP A 30 4.687 -6.905 -10.125 1.00 0.00 O ATOM 433 CB ASP A 30 7.304 -5.920 -7.926 1.00 0.00 C ATOM 434 CG ASP A 30 8.662 -5.410 -8.448 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.764 -5.079 -9.653 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.610 -5.294 -7.637 1.00 0.00 O ATOM 0 H ASP A 30 4.890 -5.891 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 30 6.423 -4.514 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.151 -5.562 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.320 -7.009 -7.882 1.00 0.00 H new ATOM 441 N GLU A 31 6.829 -6.770 -10.760 1.00 0.00 N ATOM 442 CA GLU A 31 6.729 -7.656 -11.905 1.00 0.00 C ATOM 443 C GLU A 31 7.725 -8.794 -11.713 1.00 0.00 C ATOM 444 O GLU A 31 8.834 -8.569 -11.225 1.00 0.00 O ATOM 445 CB GLU A 31 7.002 -6.836 -13.169 1.00 0.00 C ATOM 446 CG GLU A 31 6.293 -7.419 -14.391 1.00 0.00 C ATOM 447 CD GLU A 31 6.327 -6.447 -15.568 1.00 0.00 C ATOM 448 OE1 GLU A 31 5.886 -5.284 -15.402 1.00 0.00 O ATOM 449 OE2 GLU A 31 6.748 -6.878 -16.663 1.00 0.00 O ATOM 0 H GLU A 31 7.772 -6.406 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 31 5.737 -8.096 -12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.672 -5.809 -13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.076 -6.801 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.769 -8.357 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.258 -7.651 -14.138 1.00 0.00 H new ATOM 597 N ASN A 42 -2.959 -16.384 -9.785 1.00 0.00 N ATOM 598 CA ASN A 42 -4.109 -15.885 -9.044 1.00 0.00 C ATOM 599 C ASN A 42 -3.627 -15.137 -7.791 1.00 0.00 C ATOM 600 O ASN A 42 -4.352 -14.997 -6.802 1.00 0.00 O ATOM 601 CB ASN A 42 -4.989 -17.097 -8.716 1.00 0.00 C ATOM 602 CG ASN A 42 -4.310 -18.150 -7.842 1.00 0.00 C ATOM 603 OD1 ASN A 42 -3.242 -17.947 -7.282 1.00 0.00 O ATOM 604 ND2 ASN A 42 -4.879 -19.336 -7.763 1.00 0.00 N ATOM 0 HA ASN A 42 -4.695 -15.169 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.891 -16.750 -8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.305 -17.565 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.429 -20.084 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.770 -19.506 -8.230 1.00 0.00 H new ATOM 611 N LYS A 43 -2.365 -14.697 -7.833 1.00 0.00 N ATOM 612 CA LYS A 43 -1.625 -13.961 -6.825 1.00 0.00 C ATOM 613 C LYS A 43 -0.758 -12.929 -7.537 1.00 0.00 C ATOM 614 O LYS A 43 -0.602 -13.005 -8.760 1.00 0.00 O ATOM 615 CB LYS A 43 -0.740 -14.924 -6.028 1.00 0.00 C ATOM 616 CG LYS A 43 -1.553 -15.834 -5.097 1.00 0.00 C ATOM 617 CD LYS A 43 -0.609 -16.382 -4.033 1.00 0.00 C ATOM 618 CE LYS A 43 -1.331 -17.103 -2.900 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.431 -17.224 -1.733 1.00 0.00 N ATOM 0 H LYS A 43 -1.788 -14.868 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.310 -13.467 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.163 -15.539 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.025 -14.351 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.367 -15.276 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.006 -16.649 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.095 -17.070 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.025 -15.561 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.231 -16.554 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.650 -18.092 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.997 -17.360 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.201 -18.040 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.137 -16.358 -1.641 1.00 0.00 H new ATOM 633 N TYR A 44 -0.127 -12.037 -6.778 1.00 0.00 N ATOM 634 CA TYR A 44 0.792 -11.021 -7.267 1.00 0.00 C ATOM 635 C TYR A 44 2.066 -11.046 -6.406 1.00 0.00 C ATOM 636 O TYR A 44 1.991 -11.456 -5.240 1.00 0.00 O ATOM 637 CB TYR A 44 0.098 -9.653 -7.221 1.00 0.00 C ATOM 638 CG TYR A 44 -1.335 -9.666 -7.711 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.605 -9.823 -9.081 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.391 -9.585 -6.786 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.933 -9.927 -9.528 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.721 -9.667 -7.227 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.995 -9.852 -8.600 1.00 0.00 C ATOM 644 OH TYR A 44 -5.282 -9.972 -9.020 1.00 0.00 O ATOM 0 H TYR A 44 -0.249 -12.003 -5.766 1.00 0.00 H new ATOM 0 HA TYR A 44 1.077 -11.218 -8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.116 -9.283 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.670 -8.948 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.792 -9.864 -9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.178 -9.459 -5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.141 -10.064 -10.579 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.532 -9.589 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.315 -10.548 -9.812 1.00 0.00 H new ATOM 654 N PRO A 45 3.231 -10.647 -6.948 1.00 0.00 N ATOM 655 CA PRO A 45 4.494 -10.518 -6.217 1.00 0.00 C ATOM 656 C PRO A 45 4.523 -9.212 -5.411 1.00 0.00 C ATOM 657 O PRO A 45 4.904 -8.149 -5.917 1.00 0.00 O ATOM 658 CB PRO A 45 5.561 -10.537 -7.316 1.00 0.00 C ATOM 659 CG PRO A 45 4.861 -9.890 -8.506 1.00 0.00 C ATOM 660 CD PRO A 45 3.425 -10.370 -8.365 1.00 0.00 C ATOM 0 HA PRO A 45 4.649 -11.311 -5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.450 -9.979 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.884 -11.553 -7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.928 -8.803 -8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.300 -10.206 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.724 -9.611 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.252 -11.264 -8.964 1.00 0.00 H new ATOM 668 N ILE A 46 4.085 -9.247 -4.159 1.00 0.00 N ATOM 669 CA ILE A 46 3.839 -8.062 -3.344 1.00 0.00 C ATOM 670 C ILE A 46 5.145 -7.727 -2.627 1.00 0.00 C ATOM 671 O ILE A 46 5.570 -8.480 -1.754 1.00 0.00 O ATOM 672 CB ILE A 46 2.642 -8.342 -2.398 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.314 -8.534 -3.174 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.432 -7.273 -1.321 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.658 -7.250 -3.707 1.00 0.00 C ATOM 0 H ILE A 46 3.886 -10.120 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 46 3.554 -7.189 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 46 2.915 -9.270 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.500 -9.201 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.603 -9.038 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.576 -7.543 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.324 -7.204 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.246 -6.310 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.263 -7.503 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.430 -6.585 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.341 -6.750 -4.393 1.00 0.00 H new ATOM 687 N PHE A 47 5.787 -6.621 -3.015 1.00 0.00 N ATOM 688 CA PHE A 47 6.958 -6.066 -2.337 1.00 0.00 C ATOM 689 C PHE A 47 6.473 -5.104 -1.250 1.00 0.00 C ATOM 690 O PHE A 47 5.608 -4.264 -1.526 1.00 0.00 O ATOM 691 CB PHE A 47 7.839 -5.348 -3.372 1.00 0.00 C ATOM 692 CG PHE A 47 9.070 -4.657 -2.806 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.176 -5.431 -2.406 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.139 -3.249 -2.714 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.348 -4.811 -1.945 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.314 -2.634 -2.249 1.00 0.00 C ATOM 697 CZ PHE A 47 11.418 -3.412 -1.865 1.00 0.00 C ATOM 0 H PHE A 47 5.499 -6.076 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 47 7.554 -6.850 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.161 -6.074 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.232 -4.606 -3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.122 -6.509 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.290 -2.646 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.196 -5.411 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.368 -1.557 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.319 -2.935 -1.509 1.00 0.00 H new ATOM 707 N PHE A 48 7.014 -5.229 -0.036 1.00 0.00 N ATOM 708 CA PHE A 48 6.601 -4.483 1.147 1.00 0.00 C ATOM 709 C PHE A 48 7.624 -3.379 1.407 1.00 0.00 C ATOM 710 O PHE A 48 8.638 -3.623 2.070 1.00 0.00 O ATOM 711 CB PHE A 48 6.491 -5.418 2.362 1.00 0.00 C ATOM 712 CG PHE A 48 5.377 -6.444 2.323 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.485 -7.573 1.493 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.257 -6.308 3.166 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.487 -8.558 1.510 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.261 -7.300 3.184 1.00 0.00 C ATOM 717 CZ PHE A 48 3.382 -8.436 2.367 1.00 0.00 C ATOM 0 H PHE A 48 7.779 -5.877 0.153 1.00 0.00 H new ATOM 0 HA PHE A 48 5.619 -4.041 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.438 -5.946 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.360 -4.805 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.339 -7.682 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.163 -5.439 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.569 -9.416 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.401 -7.188 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.630 -9.210 2.398 1.00 0.00 H new ATOM 727 N PHE A 49 7.350 -2.177 0.899 1.00 0.00 N ATOM 728 CA PHE A 49 8.203 -0.994 0.993 1.00 0.00 C ATOM 729 C PHE A 49 8.719 -0.756 2.424 1.00 0.00 C ATOM 730 O PHE A 49 8.039 -1.070 3.408 1.00 0.00 O ATOM 731 CB PHE A 49 7.408 0.221 0.488 1.00 0.00 C ATOM 732 CG PHE A 49 7.413 0.419 -1.014 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.645 0.567 -1.671 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.223 0.595 -1.743 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.703 0.950 -3.015 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.281 0.995 -3.087 1.00 0.00 C ATOM 737 CZ PHE A 49 7.515 1.170 -3.728 1.00 0.00 C ATOM 0 H PHE A 49 6.487 -1.994 0.387 1.00 0.00 H new ATOM 0 HA PHE A 49 9.086 -1.150 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.375 0.123 0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.810 1.119 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.562 0.382 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.268 0.423 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.659 1.076 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.366 1.170 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.551 1.472 -4.764 1.00 0.00 H new ATOM 747 N GLY A 50 9.930 -0.201 2.554 1.00 0.00 N ATOM 748 CA GLY A 50 10.615 0.085 3.818 1.00 0.00 C ATOM 749 C GLY A 50 11.144 -1.160 4.544 1.00 0.00 C ATOM 750 O GLY A 50 12.232 -1.122 5.131 1.00 0.00 O ATOM 0 H GLY A 50 10.484 0.073 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.449 0.759 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.928 0.613 4.479 1.00 0.00 H new ATOM 754 N THR A 51 10.384 -2.256 4.532 1.00 0.00 N ATOM 755 CA THR A 51 10.774 -3.564 5.054 1.00 0.00 C ATOM 756 C THR A 51 11.506 -4.417 4.009 1.00 0.00 C ATOM 757 O THR A 51 12.242 -5.329 4.383 1.00 0.00 O ATOM 758 CB THR A 51 9.524 -4.299 5.579 1.00 0.00 C ATOM 759 OG1 THR A 51 8.344 -3.975 4.850 1.00 0.00 O ATOM 760 CG2 THR A 51 9.275 -3.926 7.042 1.00 0.00 C ATOM 0 H THR A 51 9.441 -2.255 4.142 1.00 0.00 H new ATOM 0 HA THR A 51 11.477 -3.403 5.871 1.00 0.00 H new ATOM 0 HB THR A 51 9.727 -5.364 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.543 -3.969 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.390 -4.449 7.405 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.138 -4.212 7.643 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.119 -2.850 7.122 1.00 0.00 H new ATOM 768 N HIS A 52 11.302 -4.127 2.723 1.00 0.00 N ATOM 769 CA HIS A 52 11.916 -4.757 1.558 1.00 0.00 C ATOM 770 C HIS A 52 11.673 -6.273 1.442 1.00 0.00 C ATOM 771 O HIS A 52 12.316 -6.931 0.627 1.00 0.00 O ATOM 772 CB HIS A 52 13.400 -4.359 1.472 1.00 0.00 C ATOM 773 CG HIS A 52 13.665 -2.893 1.739 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.575 -2.393 2.643 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.000 -1.826 1.192 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.462 -1.056 2.638 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.515 -0.665 1.772 1.00 0.00 N ATOM 0 H HIS A 52 10.653 -3.389 2.450 1.00 0.00 H new ATOM 0 HA HIS A 52 11.406 -4.368 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.967 -4.955 2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.775 -4.610 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.219 -1.875 0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.052 -0.387 3.247 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.227 0.294 1.576 1.00 0.00 H new ATOM 785 N GLU A 53 10.756 -6.837 2.234 1.00 0.00 N ATOM 786 CA GLU A 53 10.324 -8.223 2.089 1.00 0.00 C ATOM 787 C GLU A 53 9.417 -8.369 0.866 1.00 0.00 C ATOM 788 O GLU A 53 8.922 -7.379 0.314 1.00 0.00 O ATOM 789 CB GLU A 53 9.580 -8.691 3.348 1.00 0.00 C ATOM 790 CG GLU A 53 10.523 -8.851 4.548 1.00 0.00 C ATOM 791 CD GLU A 53 9.877 -9.575 5.734 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.631 -9.643 5.825 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.616 -10.080 6.614 1.00 0.00 O ATOM 0 H GLU A 53 10.293 -6.340 2.995 1.00 0.00 H new ATOM 0 HA GLU A 53 11.209 -8.845 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.798 -7.973 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.087 -9.642 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.409 -9.402 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.858 -7.866 4.872 1.00 0.00 H new ATOM 800 N THR A 54 9.128 -9.616 0.497 1.00 0.00 N ATOM 801 CA THR A 54 8.157 -9.954 -0.525 1.00 0.00 C ATOM 802 C THR A 54 7.162 -10.984 0.030 1.00 0.00 C ATOM 803 O THR A 54 7.390 -11.582 1.088 1.00 0.00 O ATOM 804 CB THR A 54 8.875 -10.423 -1.803 1.00 0.00 C ATOM 805 OG1 THR A 54 9.759 -11.502 -1.562 1.00 0.00 O ATOM 806 CG2 THR A 54 9.679 -9.312 -2.482 1.00 0.00 C ATOM 0 H THR A 54 9.576 -10.432 0.913 1.00 0.00 H new ATOM 0 HA THR A 54 7.578 -9.074 -0.805 1.00 0.00 H new ATOM 0 HB THR A 54 8.067 -10.741 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.190 -11.766 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.161 -9.706 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.011 -8.497 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.439 -8.940 -1.794 1.00 0.00 H new ATOM 814 N ALA A 55 6.044 -11.196 -0.666 1.00 0.00 N ATOM 815 CA ALA A 55 5.156 -12.337 -0.498 1.00 0.00 C ATOM 816 C ALA A 55 4.397 -12.545 -1.804 1.00 0.00 C ATOM 817 O ALA A 55 4.298 -11.625 -2.618 1.00 0.00 O ATOM 818 CB ALA A 55 4.138 -12.079 0.623 1.00 0.00 C ATOM 0 H ALA A 55 5.724 -10.551 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 55 5.748 -13.214 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.486 -12.946 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.666 -11.905 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.539 -11.203 0.376 1.00 0.00 H new ATOM 824 N PHE A 56 3.751 -13.702 -1.948 1.00 0.00 N ATOM 825 CA PHE A 56 2.760 -13.921 -2.985 1.00 0.00 C ATOM 826 C PHE A 56 1.392 -13.911 -2.319 1.00 0.00 C ATOM 827 O PHE A 56 1.078 -14.824 -1.545 1.00 0.00 O ATOM 828 CB PHE A 56 3.040 -15.233 -3.723 1.00 0.00 C ATOM 829 CG PHE A 56 4.415 -15.319 -4.352 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.828 -14.341 -5.276 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.280 -16.383 -4.028 1.00 0.00 C ATOM 832 CE1 PHE A 56 6.095 -14.429 -5.875 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.537 -16.483 -4.647 1.00 0.00 C ATOM 834 CZ PHE A 56 6.949 -15.498 -5.562 1.00 0.00 C ATOM 0 H PHE A 56 3.905 -14.510 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 56 2.797 -13.135 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.922 -16.061 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.289 -15.364 -4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.170 -13.522 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.976 -17.123 -3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.413 -13.673 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.186 -17.316 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.923 -15.564 -6.024 1.00 0.00 H new ATOM 844 N LEU A 57 0.556 -12.921 -2.639 1.00 0.00 N ATOM 845 CA LEU A 57 -0.795 -12.795 -2.090 1.00 0.00 C ATOM 846 C LEU A 57 -1.778 -12.559 -3.224 1.00 0.00 C ATOM 847 O LEU A 57 -1.416 -11.982 -4.248 1.00 0.00 O ATOM 848 CB LEU A 57 -0.865 -11.637 -1.082 1.00 0.00 C ATOM 849 CG LEU A 57 -0.019 -11.852 0.185 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.014 -10.560 1.003 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.563 -13.014 1.026 1.00 0.00 C ATOM 0 H LEU A 57 0.801 -12.177 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.053 -13.717 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.536 -10.722 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.904 -11.486 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 57 0.996 -12.113 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.613 -10.713 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.453 -9.762 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.001 -10.283 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.056 -13.141 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.588 -12.797 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.544 -13.930 0.436 1.00 0.00 H new ATOM 863 N GLY A 58 -3.018 -13.007 -3.040 1.00 0.00 N ATOM 864 CA GLY A 58 -4.117 -12.750 -3.950 1.00 0.00 C ATOM 865 C GLY A 58 -4.940 -11.560 -3.458 1.00 0.00 C ATOM 866 O GLY A 58 -4.787 -11.122 -2.316 1.00 0.00 O ATOM 0 H GLY A 58 -3.286 -13.571 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.732 -12.547 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.751 -13.634 -4.026 1.00 0.00 H new ATOM 870 N PRO A 59 -5.858 -11.053 -4.291 1.00 0.00 N ATOM 871 CA PRO A 59 -6.580 -9.805 -4.048 1.00 0.00 C ATOM 872 C PRO A 59 -7.539 -9.881 -2.852 1.00 0.00 C ATOM 873 O PRO A 59 -8.072 -8.862 -2.413 1.00 0.00 O ATOM 874 CB PRO A 59 -7.313 -9.516 -5.362 1.00 0.00 C ATOM 875 CG PRO A 59 -7.450 -10.881 -6.041 1.00 0.00 C ATOM 876 CD PRO A 59 -6.248 -11.673 -5.546 1.00 0.00 C ATOM 0 HA PRO A 59 -5.895 -9.003 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.288 -9.065 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.751 -8.819 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.386 -11.368 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.444 -10.787 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.504 -12.723 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.433 -11.640 -6.269 1.00 0.00 H new ATOM 884 N LYS A 60 -7.783 -11.075 -2.312 1.00 0.00 N ATOM 885 CA LYS A 60 -8.569 -11.299 -1.103 1.00 0.00 C ATOM 886 C LYS A 60 -7.816 -10.965 0.196 1.00 0.00 C ATOM 887 O LYS A 60 -8.418 -11.047 1.270 1.00 0.00 O ATOM 888 CB LYS A 60 -9.054 -12.753 -1.103 1.00 0.00 C ATOM 889 CG LYS A 60 -7.906 -13.772 -1.045 1.00 0.00 C ATOM 890 CD LYS A 60 -8.470 -15.190 -1.021 1.00 0.00 C ATOM 891 CE LYS A 60 -7.336 -16.192 -0.801 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.862 -17.547 -0.562 1.00 0.00 N ATOM 0 H LYS A 60 -7.427 -11.940 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.415 -10.612 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.714 -12.909 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.646 -12.932 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.252 -13.646 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.298 -13.598 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.210 -15.284 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.981 -15.405 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.681 -16.202 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.730 -15.879 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.071 -18.206 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.467 -17.540 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.420 -17.853 -1.385 1.00 0.00 H new ATOM 906 N ASP A 61 -6.523 -10.627 0.118 1.00 0.00 N ATOM 907 CA ASP A 61 -5.669 -10.262 1.256 1.00 0.00 C ATOM 908 C ASP A 61 -5.075 -8.856 1.062 1.00 0.00 C ATOM 909 O ASP A 61 -4.150 -8.474 1.790 1.00 0.00 O ATOM 910 CB ASP A 61 -4.545 -11.303 1.473 1.00 0.00 C ATOM 911 CG ASP A 61 -5.011 -12.625 2.090 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.389 -12.632 3.286 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.908 -13.691 1.432 1.00 0.00 O ATOM 0 H ASP A 61 -6.024 -10.599 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.293 -10.253 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.071 -11.512 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.782 -10.866 2.117 1.00 0.00 H new ATOM 918 N LEU A 62 -5.569 -8.078 0.086 1.00 0.00 N ATOM 919 CA LEU A 62 -4.990 -6.807 -0.367 1.00 0.00 C ATOM 920 C LEU A 62 -6.091 -5.741 -0.540 1.00 0.00 C ATOM 921 O LEU A 62 -7.265 -6.108 -0.674 1.00 0.00 O ATOM 922 CB LEU A 62 -4.284 -7.042 -1.716 1.00 0.00 C ATOM 923 CG LEU A 62 -3.199 -8.130 -1.781 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.754 -8.315 -3.236 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.997 -7.773 -0.906 1.00 0.00 C ATOM 0 H LEU A 62 -6.414 -8.328 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.278 -6.449 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.047 -7.287 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.832 -6.100 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.620 -9.061 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.985 -9.086 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.608 -8.615 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.352 -7.376 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.249 -8.563 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.564 -6.833 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.319 -7.668 0.130 1.00 0.00 H new ATOM 937 N PHE A 63 -5.731 -4.450 -0.593 1.00 0.00 N ATOM 938 CA PHE A 63 -6.640 -3.332 -0.895 1.00 0.00 C ATOM 939 C PHE A 63 -5.968 -2.279 -1.796 1.00 0.00 C ATOM 940 O PHE A 63 -4.759 -2.075 -1.671 1.00 0.00 O ATOM 941 CB PHE A 63 -7.120 -2.666 0.403 1.00 0.00 C ATOM 942 CG PHE A 63 -8.061 -3.540 1.200 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.423 -3.624 0.855 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.550 -4.347 2.226 1.00 0.00 C ATOM 945 CE1 PHE A 63 -10.257 -4.551 1.504 1.00 0.00 C ATOM 946 CE2 PHE A 63 -8.383 -5.272 2.873 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.730 -5.392 2.498 1.00 0.00 C ATOM 0 H PHE A 63 -4.773 -4.145 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.494 -3.745 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.256 -2.416 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.621 -1.729 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.827 -2.976 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.514 -4.257 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.302 -4.617 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.986 -5.894 3.662 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.360 -6.130 2.973 1.00 0.00 H new ATOM 957 N PRO A 64 -6.717 -1.580 -2.676 1.00 0.00 N ATOM 958 CA PRO A 64 -6.158 -0.586 -3.592 1.00 0.00 C ATOM 959 C PRO A 64 -5.508 0.570 -2.834 1.00 0.00 C ATOM 960 O PRO A 64 -6.053 1.037 -1.834 1.00 0.00 O ATOM 961 CB PRO A 64 -7.326 -0.059 -4.435 1.00 0.00 C ATOM 962 CG PRO A 64 -8.572 -0.833 -4.010 1.00 0.00 C ATOM 963 CD PRO A 64 -8.167 -1.640 -2.782 1.00 0.00 C ATOM 0 HA PRO A 64 -5.383 -1.040 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.464 1.010 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.129 -0.200 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.393 -0.154 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.917 -1.487 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.634 -1.233 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.502 -2.673 -2.875 1.00 0.00 H new ATOM 971 N TYR A 65 -4.392 1.106 -3.333 1.00 0.00 N ATOM 972 CA TYR A 65 -3.780 2.272 -2.708 1.00 0.00 C ATOM 973 C TYR A 65 -4.680 3.482 -2.876 1.00 0.00 C ATOM 974 O TYR A 65 -5.066 4.091 -1.890 1.00 0.00 O ATOM 975 CB TYR A 65 -2.398 2.544 -3.289 1.00 0.00 C ATOM 976 CG TYR A 65 -1.686 3.755 -2.723 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.260 3.734 -1.385 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.420 4.885 -3.520 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.546 4.810 -0.839 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.691 5.965 -2.984 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.240 5.925 -1.645 1.00 0.00 C ATOM 982 OH TYR A 65 0.455 6.969 -1.127 1.00 0.00 O ATOM 0 H TYR A 65 -3.902 0.755 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.658 2.069 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.773 1.666 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.493 2.670 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.486 2.877 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.774 4.924 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.232 4.785 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.476 6.827 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.035 7.342 -0.365 1.00 0.00 H new ATOM 992 N LYS A 66 -5.045 3.837 -4.107 1.00 0.00 N ATOM 993 CA LYS A 66 -5.697 5.121 -4.378 1.00 0.00 C ATOM 994 C LYS A 66 -7.120 5.238 -3.840 1.00 0.00 C ATOM 995 O LYS A 66 -7.710 6.317 -3.847 1.00 0.00 O ATOM 996 CB LYS A 66 -5.649 5.388 -5.881 1.00 0.00 C ATOM 997 CG LYS A 66 -4.684 6.539 -6.171 1.00 0.00 C ATOM 998 CD LYS A 66 -5.180 7.930 -5.747 1.00 0.00 C ATOM 999 CE LYS A 66 -6.516 8.262 -6.414 1.00 0.00 C ATOM 1000 NZ LYS A 66 -6.866 9.685 -6.267 1.00 0.00 N ATOM 0 H LYS A 66 -4.901 3.256 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.140 5.883 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.328 4.490 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.645 5.635 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.740 6.337 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.474 6.556 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.292 7.966 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.438 8.682 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.466 8.008 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.303 7.648 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.778 9.868 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.939 9.922 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.128 10.271 -6.707 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.685 4.139 -3.365 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.756 4.194 -2.382 1.00 0.00 C ATOM 1016 C GLU A 67 -8.160 4.600 -1.032 1.00 0.00 C ATOM 1017 O GLU A 67 -8.243 5.767 -0.640 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.539 2.864 -2.337 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.904 2.963 -3.019 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.776 4.003 -2.314 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.251 3.733 -1.187 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.963 5.101 -2.886 1.00 0.00 O ATOM 0 H GLU A 67 -7.419 3.195 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.492 4.948 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.951 2.084 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.677 2.562 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.776 3.236 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.398 1.992 -3.001 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.517 3.654 -0.348 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.117 3.653 1.058 1.00 0.00 C ATOM 1031 C TYR A 68 -5.947 4.586 1.387 1.00 0.00 C ATOM 1032 O TYR A 68 -5.405 4.523 2.491 1.00 0.00 O ATOM 1033 CB TYR A 68 -6.798 2.207 1.427 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.032 1.328 1.440 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.575 0.814 0.251 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.669 1.065 2.657 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.743 0.031 0.279 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -9.789 0.222 2.709 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.324 -0.308 1.519 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.405 -1.127 1.575 1.00 0.00 O ATOM 0 H TYR A 68 -7.237 2.788 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.939 4.051 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.076 1.804 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.327 2.181 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.092 1.022 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.295 1.515 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.192 -0.308 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.240 -0.020 3.660 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.123 -2.052 1.417 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.534 5.454 0.467 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.359 6.283 0.578 1.00 0.00 C ATOM 1052 C LYS A 69 -4.498 7.179 1.801 1.00 0.00 C ATOM 1053 O LYS A 69 -3.493 7.408 2.470 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.153 7.025 -0.764 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.088 8.103 -0.612 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.696 8.877 -1.884 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.353 9.582 -1.618 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.085 10.747 -2.485 1.00 0.00 N ATOM 0 H LYS A 69 -6.037 5.597 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.451 5.703 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.856 6.317 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.092 7.474 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.436 8.822 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.189 7.638 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.608 8.197 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.465 9.606 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.329 9.907 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.547 8.859 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.163 11.159 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.073 10.444 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.830 11.460 -2.349 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.700 7.659 2.150 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.892 8.360 3.421 1.00 0.00 C ATOM 1074 C ASP A 70 -6.143 7.380 4.572 1.00 0.00 C ATOM 1075 O ASP A 70 -5.517 7.502 5.623 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.991 9.416 3.362 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.841 10.410 4.531 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.713 10.891 4.791 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.861 10.773 5.162 1.00 0.00 O ATOM 0 H ASP A 70 -6.540 7.575 1.578 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.958 8.888 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.941 9.950 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.969 8.936 3.407 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.010 6.380 4.374 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.469 5.490 5.439 1.00 0.00 C ATOM 1086 C LYS A 71 -6.297 4.730 6.064 1.00 0.00 C ATOM 1087 O LYS A 71 -6.122 4.775 7.280 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.571 4.553 4.905 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.343 3.877 6.052 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.377 2.844 5.581 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.658 3.391 4.928 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.460 4.228 5.847 1.00 0.00 N ATOM 0 H LYS A 71 -7.414 6.167 3.462 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.908 6.085 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.264 5.121 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.124 3.790 4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.631 3.387 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.850 4.644 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.891 2.178 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.666 2.237 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.390 3.979 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.267 2.557 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.335 4.527 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.699 3.679 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.911 5.068 6.120 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.513 4.024 5.251 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.469 3.104 5.692 1.00 0.00 C ATOM 1108 C PHE A 72 -3.077 3.759 5.668 1.00 0.00 C ATOM 1109 O PHE A 72 -2.152 3.251 6.301 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.514 1.860 4.786 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.725 0.942 4.890 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.736 1.114 5.857 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.836 -0.119 3.973 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.810 0.211 5.922 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.882 -1.050 4.069 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.868 -0.891 5.054 1.00 0.00 C ATOM 0 H PHE A 72 -5.590 4.079 4.235 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.652 2.820 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.439 2.197 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.625 1.264 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.685 1.941 6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.106 -0.219 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.597 0.366 6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.928 -1.886 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.667 -1.612 5.144 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.899 4.893 4.977 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.597 5.535 4.767 1.00 0.00 C ATOM 1128 C GLY A 73 -1.065 6.317 5.983 1.00 0.00 C ATOM 1129 O GLY A 73 -0.508 7.408 5.820 1.00 0.00 O ATOM 0 H GLY A 73 -3.671 5.398 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.869 4.770 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.675 6.216 3.919 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.270 5.823 7.206 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.120 6.583 8.453 1.00 0.00 C ATOM 1135 C LYS A 74 0.020 5.995 9.265 1.00 0.00 C ATOM 1136 O LYS A 74 0.118 4.769 9.353 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.441 6.588 9.238 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.488 7.562 8.665 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.064 9.045 8.726 1.00 0.00 C ATOM 1140 CE LYS A 74 -2.921 9.631 7.324 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.414 11.013 7.295 1.00 0.00 N ATOM 0 H LYS A 74 -1.553 4.856 7.363 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.877 7.621 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.857 5.580 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.238 6.853 10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.689 7.294 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.422 7.439 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.803 9.615 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.118 9.135 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.249 8.998 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.892 9.602 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.346 11.337 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.065 11.633 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.473 11.047 7.736 1.00 0.00 H new ATOM 1155 N SER A 75 0.881 6.855 9.817 1.00 0.00 N ATOM 1156 CA SER A 75 2.124 6.474 10.470 1.00 0.00 C ATOM 1157 C SER A 75 1.827 5.504 11.609 1.00 0.00 C ATOM 1158 O SER A 75 1.238 5.868 12.631 1.00 0.00 O ATOM 1159 CB SER A 75 2.941 7.699 10.910 1.00 0.00 C ATOM 1160 OG SER A 75 2.227 8.715 11.580 1.00 0.00 O ATOM 0 H SER A 75 0.722 7.863 9.819 1.00 0.00 H new ATOM 0 HA SER A 75 2.759 5.955 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.745 7.358 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.409 8.134 10.027 1.00 0.00 H new ATOM 0 HG SER A 75 2.839 9.443 11.816 1.00 0.00 H new ATOM 1166 N ASN A 76 2.174 4.237 11.396 1.00 0.00 N ATOM 1167 CA ASN A 76 1.842 3.165 12.325 1.00 0.00 C ATOM 1168 C ASN A 76 3.013 2.945 13.282 1.00 0.00 C ATOM 1169 O ASN A 76 4.123 3.404 13.002 1.00 0.00 O ATOM 1170 CB ASN A 76 1.471 1.895 11.554 1.00 0.00 C ATOM 1171 CG ASN A 76 0.646 0.976 12.435 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -0.429 1.340 12.894 1.00 0.00 O ATOM 1173 ND2 ASN A 76 1.144 -0.199 12.768 1.00 0.00 N ATOM 0 H ASN A 76 2.693 3.927 10.574 1.00 0.00 H new ATOM 0 HA ASN A 76 0.972 3.440 12.921 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.908 2.155 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.375 1.382 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.633 -0.806 13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.040 -0.500 12.384 1.00 0.00 H new ATOM 1180 N LYS A 77 2.800 2.248 14.404 1.00 0.00 N ATOM 1181 CA LYS A 77 3.807 2.150 15.466 1.00 0.00 C ATOM 1182 C LYS A 77 4.720 0.926 15.344 1.00 0.00 C ATOM 1183 O LYS A 77 5.697 0.819 16.086 1.00 0.00 O ATOM 1184 CB LYS A 77 3.127 2.222 16.843 1.00 0.00 C ATOM 1185 CG LYS A 77 3.930 3.083 17.824 1.00 0.00 C ATOM 1186 CD LYS A 77 3.283 3.026 19.209 1.00 0.00 C ATOM 1187 CE LYS A 77 3.917 4.052 20.146 1.00 0.00 C ATOM 1188 NZ LYS A 77 3.373 5.407 19.954 1.00 0.00 N ATOM 0 H LYS A 77 1.936 1.742 14.600 1.00 0.00 H new ATOM 0 HA LYS A 77 4.472 3.006 15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.124 2.634 16.733 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.016 1.216 17.248 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.959 2.727 17.878 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.968 4.114 17.472 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.213 3.217 19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.396 2.026 19.627 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.756 3.743 21.179 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.995 4.071 19.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.837 6.064 20.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.549 5.716 18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.349 5.399 20.136 1.00 0.00 H new ATOM 1202 N ARG A 78 4.450 -0.004 14.424 1.00 0.00 N ATOM 1203 CA ARG A 78 5.487 -0.924 13.949 1.00 0.00 C ATOM 1204 C ARG A 78 6.521 -0.089 13.198 1.00 0.00 C ATOM 1205 O ARG A 78 6.131 0.813 12.450 1.00 0.00 O ATOM 1206 CB ARG A 78 4.889 -2.033 13.066 1.00 0.00 C ATOM 1207 CG ARG A 78 4.409 -3.263 13.862 1.00 0.00 C ATOM 1208 CD ARG A 78 5.615 -4.094 14.328 1.00 0.00 C ATOM 1209 NE ARG A 78 5.257 -5.326 15.053 1.00 0.00 N ATOM 1210 CZ ARG A 78 5.201 -5.471 16.384 1.00 0.00 C ATOM 1211 NH1 ARG A 78 5.191 -4.420 17.197 1.00 0.00 N ATOM 1212 NH2 ARG A 78 5.181 -6.696 16.894 1.00 0.00 N ATOM 0 H ARG A 78 3.533 -0.139 13.997 1.00 0.00 H new ATOM 0 HA ARG A 78 5.960 -1.437 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.050 -1.625 12.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.637 -2.350 12.339 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.824 -2.942 14.724 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.754 -3.875 13.241 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.217 -4.359 13.459 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.241 -3.476 14.972 1.00 0.00 H new ATOM 0 HE ARG A 78 5.031 -6.145 14.489 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.226 -3.476 16.811 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.148 -4.557 18.207 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.208 -7.506 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.139 -6.827 17.905 1.00 0.00 H new ATOM 1226 N LYS A 79 7.811 -0.349 13.415 1.00 0.00 N ATOM 1227 CA LYS A 79 8.898 0.315 12.700 1.00 0.00 C ATOM 1228 C LYS A 79 8.857 -0.096 11.233 1.00 0.00 C ATOM 1229 O LYS A 79 8.106 -0.996 10.860 1.00 0.00 O ATOM 1230 CB LYS A 79 10.251 -0.070 13.324 1.00 0.00 C ATOM 1231 CG LYS A 79 10.936 1.143 13.943 1.00 0.00 C ATOM 1232 CD LYS A 79 12.279 0.730 14.540 1.00 0.00 C ATOM 1233 CE LYS A 79 13.121 1.928 14.987 1.00 0.00 C ATOM 1234 NZ LYS A 79 12.458 2.788 15.988 1.00 0.00 N ATOM 0 H LYS A 79 8.132 -1.034 14.099 1.00 0.00 H new ATOM 0 HA LYS A 79 8.778 1.396 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.099 -0.834 14.087 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.896 -0.505 12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.085 1.913 13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.301 1.575 14.717 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.106 0.074 15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.838 0.153 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.061 1.564 15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.370 2.530 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.088 3.576 16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.574 3.166 15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.244 2.229 16.839 1.00 0.00 H new ATOM 1248 N GLY A 80 9.619 0.585 10.383 1.00 0.00 N ATOM 1249 CA GLY A 80 9.697 0.286 8.958 1.00 0.00 C ATOM 1250 C GLY A 80 8.464 0.746 8.184 1.00 0.00 C ATOM 1251 O GLY A 80 8.599 1.192 7.052 1.00 0.00 O ATOM 0 H GLY A 80 10.206 1.369 10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.582 0.766 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.823 -0.788 8.824 1.00 0.00 H new ATOM 1255 N PHE A 81 7.280 0.736 8.803 1.00 0.00 N ATOM 1256 CA PHE A 81 6.036 1.225 8.229 1.00 0.00 C ATOM 1257 C PHE A 81 6.190 2.677 7.769 1.00 0.00 C ATOM 1258 O PHE A 81 5.687 3.053 6.717 1.00 0.00 O ATOM 1259 CB PHE A 81 4.929 1.113 9.285 1.00 0.00 C ATOM 1260 CG PHE A 81 3.520 1.203 8.735 1.00 0.00 C ATOM 1261 CD1 PHE A 81 2.970 2.439 8.347 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.741 0.037 8.622 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.662 2.493 7.836 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.428 0.103 8.128 1.00 0.00 C ATOM 1265 CZ PHE A 81 0.889 1.332 7.726 1.00 0.00 C ATOM 0 H PHE A 81 7.164 0.374 9.749 1.00 0.00 H new ATOM 0 HA PHE A 81 5.775 0.624 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.040 0.164 9.809 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.068 1.903 10.023 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.552 3.344 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.156 -0.916 8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.249 3.441 7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.833 -0.795 8.058 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.116 1.383 7.334 1.00 0.00 H new ATOM 1275 N ASN A 82 6.859 3.507 8.576 1.00 0.00 N ATOM 1276 CA ASN A 82 7.127 4.903 8.243 1.00 0.00 C ATOM 1277 C ASN A 82 8.056 5.018 7.040 1.00 0.00 C ATOM 1278 O ASN A 82 7.781 5.817 6.150 1.00 0.00 O ATOM 1279 CB ASN A 82 7.776 5.617 9.435 1.00 0.00 C ATOM 1280 CG ASN A 82 6.847 6.404 10.344 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.157 6.562 11.525 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.731 6.921 9.862 1.00 0.00 N ATOM 0 H ASN A 82 7.230 3.224 9.483 1.00 0.00 H new ATOM 0 HA ASN A 82 6.172 5.370 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.292 4.871 10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.536 6.298 9.052 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.114 7.459 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.487 6.782 8.881 1.00 0.00 H new ATOM 1289 N GLU A 83 9.142 4.240 7.015 1.00 0.00 N ATOM 1290 CA GLU A 83 10.041 4.198 5.867 1.00 0.00 C ATOM 1291 C GLU A 83 9.237 3.835 4.608 1.00 0.00 C ATOM 1292 O GLU A 83 9.268 4.572 3.624 1.00 0.00 O ATOM 1293 CB GLU A 83 11.213 3.231 6.133 1.00 0.00 C ATOM 1294 CG GLU A 83 12.252 3.768 7.137 1.00 0.00 C ATOM 1295 CD GLU A 83 12.096 3.203 8.554 1.00 0.00 C ATOM 1296 OE1 GLU A 83 12.681 2.139 8.853 1.00 0.00 O ATOM 1297 OE2 GLU A 83 11.423 3.825 9.415 1.00 0.00 O ATOM 0 H GLU A 83 9.418 3.629 7.784 1.00 0.00 H new ATOM 0 HA GLU A 83 10.487 5.179 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.815 2.288 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.713 3.014 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.252 3.534 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.175 4.854 7.179 1.00 0.00 H new ATOM 1304 N GLY A 84 8.423 2.779 4.692 1.00 0.00 N ATOM 1305 CA GLY A 84 7.609 2.303 3.589 1.00 0.00 C ATOM 1306 C GLY A 84 6.564 3.321 3.144 1.00 0.00 C ATOM 1307 O GLY A 84 6.327 3.456 1.945 1.00 0.00 O ATOM 0 H GLY A 84 8.315 2.228 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.255 2.059 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.109 1.381 3.884 1.00 0.00 H new ATOM 1311 N LEU A 85 5.945 4.051 4.082 1.00 0.00 N ATOM 1312 CA LEU A 85 4.997 5.114 3.758 1.00 0.00 C ATOM 1313 C LEU A 85 5.669 6.267 3.008 1.00 0.00 C ATOM 1314 O LEU A 85 4.995 6.922 2.211 1.00 0.00 O ATOM 1315 CB LEU A 85 4.317 5.685 5.015 1.00 0.00 C ATOM 1316 CG LEU A 85 3.038 4.994 5.527 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.488 5.874 6.657 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.947 4.797 4.471 1.00 0.00 C ATOM 0 H LEU A 85 6.090 3.918 5.083 1.00 0.00 H new ATOM 0 HA LEU A 85 4.244 4.652 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.048 5.674 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.075 6.729 4.818 1.00 0.00 H new ATOM 0 HG LEU A 85 3.310 3.988 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.578 5.427 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.231 5.954 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.264 6.867 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.087 4.304 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.643 5.767 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.333 4.180 3.660 1.00 0.00 H new ATOM 1330 N TRP A 86 6.959 6.529 3.246 1.00 0.00 N ATOM 1331 CA TRP A 86 7.675 7.544 2.486 1.00 0.00 C ATOM 1332 C TRP A 86 7.950 7.012 1.081 1.00 0.00 C ATOM 1333 O TRP A 86 7.670 7.709 0.104 1.00 0.00 O ATOM 1334 CB TRP A 86 8.965 7.963 3.204 1.00 0.00 C ATOM 1335 CG TRP A 86 9.573 9.227 2.679 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.338 10.480 3.130 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.439 9.383 1.522 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.039 11.390 2.355 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.725 10.764 1.337 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.968 8.483 0.585 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.507 11.227 0.268 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.735 8.934 -0.505 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.004 10.304 -0.666 1.00 0.00 C ATOM 0 H TRP A 86 7.519 6.054 3.954 1.00 0.00 H new ATOM 0 HA TRP A 86 7.061 8.441 2.405 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.753 8.088 4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.695 7.158 3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.702 10.733 3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.046 12.397 2.518 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.783 7.425 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 11.724 12.280 0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.119 8.223 -1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.591 10.646 -1.506 1.00 0.00 H new ATOM 1354 N GLU A 87 8.469 5.782 0.982 1.00 0.00 N ATOM 1355 CA GLU A 87 8.809 5.136 -0.283 1.00 0.00 C ATOM 1356 C GLU A 87 7.601 5.088 -1.222 1.00 0.00 C ATOM 1357 O GLU A 87 7.713 5.463 -2.392 1.00 0.00 O ATOM 1358 CB GLU A 87 9.364 3.718 -0.038 1.00 0.00 C ATOM 1359 CG GLU A 87 10.863 3.621 -0.345 1.00 0.00 C ATOM 1360 CD GLU A 87 11.351 2.171 -0.460 1.00 0.00 C ATOM 1361 OE1 GLU A 87 11.166 1.383 0.491 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.900 1.820 -1.539 1.00 0.00 O ATOM 0 H GLU A 87 8.666 5.201 1.796 1.00 0.00 H new ATOM 0 HA GLU A 87 9.584 5.731 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.189 3.436 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.821 3.005 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.074 4.146 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.424 4.128 0.440 1.00 0.00 H new ATOM 1369 N ILE A 88 6.450 4.630 -0.721 1.00 0.00 N ATOM 1370 CA ILE A 88 5.261 4.430 -1.541 1.00 0.00 C ATOM 1371 C ILE A 88 4.705 5.766 -2.039 1.00 0.00 C ATOM 1372 O ILE A 88 4.279 5.873 -3.186 1.00 0.00 O ATOM 1373 CB ILE A 88 4.228 3.584 -0.767 1.00 0.00 C ATOM 1374 CG1 ILE A 88 3.162 3.046 -1.733 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.567 4.349 0.393 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.431 1.836 -1.156 1.00 0.00 C ATOM 0 H ILE A 88 6.321 4.389 0.262 1.00 0.00 H new ATOM 0 HA ILE A 88 5.525 3.869 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 88 4.771 2.753 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.442 3.834 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.633 2.770 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.851 3.699 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.332 4.666 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.049 5.225 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.686 1.486 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.147 1.038 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.938 2.118 -0.226 1.00 0.00 H new ATOM 1388 N GLU A 89 4.752 6.812 -1.209 1.00 0.00 N ATOM 1389 CA GLU A 89 4.354 8.153 -1.616 1.00 0.00 C ATOM 1390 C GLU A 89 5.287 8.664 -2.704 1.00 0.00 C ATOM 1391 O GLU A 89 4.838 9.295 -3.662 1.00 0.00 O ATOM 1392 CB GLU A 89 4.440 9.112 -0.426 1.00 0.00 C ATOM 1393 CG GLU A 89 3.198 9.057 0.456 1.00 0.00 C ATOM 1394 CD GLU A 89 2.063 9.966 -0.031 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.778 10.042 -1.246 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.470 10.647 0.841 1.00 0.00 O ATOM 0 H GLU A 89 5.066 6.749 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 89 3.330 8.108 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.318 8.867 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.578 10.129 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.837 8.029 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.471 9.342 1.472 1.00 0.00 H new ATOM 1403 N ASN A 90 6.583 8.402 -2.555 1.00 0.00 N ATOM 1404 CA ASN A 90 7.640 8.800 -3.473 1.00 0.00 C ATOM 1405 C ASN A 90 7.756 7.802 -4.630 1.00 0.00 C ATOM 1406 O ASN A 90 8.812 7.674 -5.249 1.00 0.00 O ATOM 1407 CB ASN A 90 8.942 9.007 -2.682 1.00 0.00 C ATOM 1408 CG ASN A 90 8.878 10.343 -1.955 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.299 11.356 -2.506 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.287 10.408 -0.778 1.00 0.00 N ATOM 0 H ASN A 90 6.938 7.882 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 90 7.403 9.754 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.080 8.196 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.798 8.987 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.174 11.309 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.942 9.558 -0.333 1.00 0.00 H new