USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 THR OG1 : rot -49:sc= 0.227 USER MOD Single : A 10 CYS SG : rot 180:sc= -3.25 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.745 (180deg=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -53:sc= 0.126 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 162:sc= -0.81 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= -3.66 USER MOD Single : A 39 SER OG : rot 36:sc= -2.77! USER MOD Single : A 41 SER OG : rot 180:sc= -0.107 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= -1.1 (180deg=-2.07) USER MOD Single : A 47 SER OG : rot -58:sc= -0.809! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.05 K(o=-1,f=-0.28) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= -0.614 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 178:sc= -0.207 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.728 -0.283 11.518 1.00 0.00 N ATOM 53 CA GLY A 6 -3.797 -1.258 10.881 1.00 0.00 C ATOM 54 C GLY A 6 -2.426 -1.168 11.553 1.00 0.00 C ATOM 55 O GLY A 6 -2.067 -0.156 12.120 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.193 -2.269 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.706 -1.047 9.815 1.00 0.00 H new ATOM 59 N ARG A 7 -1.657 -2.220 11.493 1.00 0.00 N ATOM 60 CA ARG A 7 -0.305 -2.191 12.120 1.00 0.00 C ATOM 61 C ARG A 7 0.652 -1.391 11.234 1.00 0.00 C ATOM 62 O ARG A 7 0.344 -1.070 10.103 1.00 0.00 O ATOM 63 CB ARG A 7 0.217 -3.621 12.273 1.00 0.00 C ATOM 64 CG ARG A 7 -0.807 -4.603 11.700 1.00 0.00 C ATOM 65 CD ARG A 7 -1.978 -4.746 12.674 1.00 0.00 C ATOM 66 NE ARG A 7 -3.025 -5.615 12.067 1.00 0.00 N ATOM 67 CZ ARG A 7 -3.973 -6.114 12.813 1.00 0.00 C ATOM 68 NH1 ARG A 7 -4.003 -5.852 14.091 1.00 0.00 N ATOM 69 NH2 ARG A 7 -4.890 -6.875 12.281 1.00 0.00 N ATOM 0 H ARG A 7 -1.906 -3.098 11.037 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.370 -1.721 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.170 -3.729 11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.400 -3.842 13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.165 -4.248 10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.341 -5.573 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.633 -5.177 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.394 -3.766 12.906 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.001 -5.820 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.286 -5.258 14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.744 -6.242 14.674 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.866 -7.080 11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.631 -7.265 12.864 1.00 0.00 H new ATOM 83 N THR A 8 1.811 -1.068 11.738 1.00 0.00 N ATOM 84 CA THR A 8 2.785 -0.284 10.928 1.00 0.00 C ATOM 85 C THR A 8 4.200 -0.807 11.186 1.00 0.00 C ATOM 86 O THR A 8 4.505 -1.298 12.255 1.00 0.00 O ATOM 87 CB THR A 8 2.706 1.192 11.321 1.00 0.00 C ATOM 88 OG1 THR A 8 3.242 1.362 12.626 1.00 0.00 O ATOM 89 CG2 THR A 8 1.247 1.650 11.303 1.00 0.00 C ATOM 0 H THR A 8 2.126 -1.313 12.677 1.00 0.00 H new ATOM 0 HA THR A 8 2.546 -0.390 9.870 1.00 0.00 H new ATOM 0 HB THR A 8 3.280 1.788 10.611 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.840 0.706 13.233 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.192 2.702 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.837 1.520 10.301 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.670 1.055 12.011 1.00 0.00 H new ATOM 97 N ASP A 9 5.067 -0.705 10.217 1.00 0.00 N ATOM 98 CA ASP A 9 6.465 -1.181 10.414 1.00 0.00 C ATOM 99 C ASP A 9 7.277 -0.096 11.127 1.00 0.00 C ATOM 100 O ASP A 9 6.974 1.077 11.040 1.00 0.00 O ATOM 101 CB ASP A 9 7.099 -1.482 9.055 1.00 0.00 C ATOM 102 CG ASP A 9 6.451 -2.732 8.456 1.00 0.00 C ATOM 103 OD1 ASP A 9 5.837 -3.474 9.204 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.580 -2.925 7.258 1.00 0.00 O ATOM 0 H ASP A 9 4.868 -0.312 9.297 1.00 0.00 H new ATOM 0 HA ASP A 9 6.458 -2.087 11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.966 -0.633 8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.172 -1.634 9.168 1.00 0.00 H new ATOM 109 N CYS A 10 8.308 -0.480 11.830 1.00 0.00 N ATOM 110 CA CYS A 10 9.140 0.530 12.542 1.00 0.00 C ATOM 111 C CYS A 10 10.490 0.667 11.835 1.00 0.00 C ATOM 112 O CYS A 10 11.149 -0.311 11.542 1.00 0.00 O ATOM 113 CB CYS A 10 9.365 0.078 13.986 1.00 0.00 C ATOM 114 SG CYS A 10 8.707 -1.595 14.205 1.00 0.00 S ATOM 0 H CYS A 10 8.609 -1.448 11.942 1.00 0.00 H new ATOM 0 HA CYS A 10 8.628 1.492 12.538 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.429 0.096 14.222 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.874 0.766 14.674 1.00 0.00 H new ATOM 0 HG CYS A 10 8.900 -1.980 15.432 1.00 0.00 H new ATOM 120 N PRO A 11 10.895 1.878 11.566 1.00 0.00 N ATOM 121 CA PRO A 11 12.174 2.164 10.857 1.00 0.00 C ATOM 122 C PRO A 11 13.397 1.909 11.743 1.00 0.00 C ATOM 123 O PRO A 11 14.484 1.659 11.261 1.00 0.00 O ATOM 124 CB PRO A 11 12.072 3.649 10.503 1.00 0.00 C ATOM 125 CG PRO A 11 11.137 4.236 11.509 1.00 0.00 C ATOM 126 CD PRO A 11 10.169 3.110 11.910 1.00 0.00 C ATOM 0 HA PRO A 11 12.307 1.518 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.049 4.131 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.694 3.786 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.683 4.607 12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.595 5.083 11.088 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.930 3.149 12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.226 3.182 11.368 1.00 0.00 H new ATOM 134 N ALA A 12 13.228 1.974 13.036 1.00 0.00 N ATOM 135 CA ALA A 12 14.386 1.755 13.950 1.00 0.00 C ATOM 136 C ALA A 12 14.488 0.268 14.297 1.00 0.00 C ATOM 137 O ALA A 12 15.562 -0.297 14.338 1.00 0.00 O ATOM 138 CB ALA A 12 14.182 2.565 15.232 1.00 0.00 C ATOM 0 H ALA A 12 12.340 2.169 13.498 1.00 0.00 H new ATOM 0 HA ALA A 12 15.304 2.077 13.458 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.028 2.406 15.901 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.109 3.624 14.985 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.264 2.243 15.724 1.00 0.00 H new ATOM 144 N LEU A 13 13.377 -0.371 14.546 1.00 0.00 N ATOM 145 CA LEU A 13 13.411 -1.823 14.881 1.00 0.00 C ATOM 146 C LEU A 13 13.719 -2.629 13.617 1.00 0.00 C ATOM 147 O LEU A 13 13.277 -2.297 12.536 1.00 0.00 O ATOM 148 CB LEU A 13 12.053 -2.249 15.442 1.00 0.00 C ATOM 149 CG LEU A 13 11.898 -1.715 16.867 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.857 -2.458 17.798 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.223 -0.220 16.888 1.00 0.00 C ATOM 0 H LEU A 13 12.448 0.050 14.532 1.00 0.00 H new ATOM 0 HA LEU A 13 14.184 -2.007 15.627 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.251 -1.867 14.810 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.971 -3.336 15.439 1.00 0.00 H new ATOM 0 HG LEU A 13 10.873 -1.870 17.204 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.746 -2.077 18.813 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.627 -3.523 17.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.883 -2.304 17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.113 0.162 17.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.248 -0.066 16.551 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.540 0.310 16.225 1.00 0.00 H new ATOM 163 N PRO A 14 14.473 -3.684 13.762 1.00 0.00 N ATOM 164 CA PRO A 14 14.865 -4.559 12.618 1.00 0.00 C ATOM 165 C PRO A 14 13.702 -4.804 11.652 1.00 0.00 C ATOM 166 O PRO A 14 12.549 -4.771 12.033 1.00 0.00 O ATOM 167 CB PRO A 14 15.288 -5.870 13.285 1.00 0.00 C ATOM 168 CG PRO A 14 15.720 -5.498 14.664 1.00 0.00 C ATOM 169 CD PRO A 14 15.036 -4.158 15.034 1.00 0.00 C ATOM 0 HA PRO A 14 15.652 -4.105 12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.462 -6.581 13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.100 -6.345 12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.442 -6.277 15.374 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.804 -5.398 14.710 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.260 -4.300 15.786 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.751 -3.445 15.445 1.00 0.00 H new ATOM 177 N PRO A 15 14.011 -5.047 10.408 1.00 0.00 N ATOM 178 CA PRO A 15 12.988 -5.319 9.359 1.00 0.00 C ATOM 179 C PRO A 15 11.993 -6.401 9.788 1.00 0.00 C ATOM 180 O PRO A 15 12.369 -7.508 10.121 1.00 0.00 O ATOM 181 CB PRO A 15 13.812 -5.797 8.163 1.00 0.00 C ATOM 182 CG PRO A 15 15.177 -5.225 8.367 1.00 0.00 C ATOM 183 CD PRO A 15 15.378 -5.087 9.865 1.00 0.00 C ATOM 0 HA PRO A 15 12.382 -4.438 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.845 -6.886 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.378 -5.453 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.937 -5.875 7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.268 -4.257 7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.944 -5.926 10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.931 -4.181 10.111 1.00 0.00 H new ATOM 191 N GLY A 16 10.725 -6.090 9.785 1.00 0.00 N ATOM 192 CA GLY A 16 9.708 -7.103 10.181 1.00 0.00 C ATOM 193 C GLY A 16 9.012 -6.655 11.466 1.00 0.00 C ATOM 194 O GLY A 16 7.856 -6.952 11.695 1.00 0.00 O ATOM 0 H GLY A 16 10.350 -5.178 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.976 -7.229 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.184 -8.072 10.332 1.00 0.00 H new ATOM 198 N TRP A 17 9.706 -5.940 12.309 1.00 0.00 N ATOM 199 CA TRP A 17 9.085 -5.474 13.580 1.00 0.00 C ATOM 200 C TRP A 17 7.882 -4.583 13.263 1.00 0.00 C ATOM 201 O TRP A 17 7.936 -3.738 12.391 1.00 0.00 O ATOM 202 CB TRP A 17 10.112 -4.677 14.387 1.00 0.00 C ATOM 203 CG TRP A 17 11.003 -5.619 15.129 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.951 -6.401 14.562 1.00 0.00 C ATOM 205 CD2 TRP A 17 11.050 -5.893 16.559 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.575 -7.137 15.552 1.00 0.00 N ATOM 207 CE2 TRP A 17 12.055 -6.859 16.801 1.00 0.00 C ATOM 208 CE3 TRP A 17 10.324 -5.402 17.660 1.00 0.00 C ATOM 209 CZ2 TRP A 17 12.331 -7.322 18.088 1.00 0.00 C ATOM 210 CZ3 TRP A 17 10.600 -5.866 18.957 1.00 0.00 C ATOM 211 CH2 TRP A 17 11.601 -6.824 19.170 1.00 0.00 C ATOM 0 H TRP A 17 10.677 -5.659 12.172 1.00 0.00 H new ATOM 0 HA TRP A 17 8.756 -6.335 14.161 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.704 -4.048 13.722 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.604 -4.013 15.086 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.182 -6.443 13.508 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.328 -7.804 15.381 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.550 -4.664 17.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 13.103 -8.060 18.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.037 -5.482 19.795 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.808 -7.177 20.170 1.00 0.00 H new ATOM 222 N LYS A 18 6.797 -4.764 13.963 1.00 0.00 N ATOM 223 CA LYS A 18 5.586 -3.940 13.688 1.00 0.00 C ATOM 224 C LYS A 18 5.155 -3.222 14.968 1.00 0.00 C ATOM 225 O LYS A 18 5.395 -3.688 16.063 1.00 0.00 O ATOM 226 CB LYS A 18 4.452 -4.846 13.204 1.00 0.00 C ATOM 227 CG LYS A 18 4.806 -5.421 11.832 1.00 0.00 C ATOM 228 CD LYS A 18 3.665 -6.315 11.341 1.00 0.00 C ATOM 229 CE LYS A 18 4.005 -6.862 9.954 1.00 0.00 C ATOM 230 NZ LYS A 18 2.891 -7.730 9.476 1.00 0.00 N ATOM 0 H LYS A 18 6.696 -5.447 14.714 1.00 0.00 H new ATOM 0 HA LYS A 18 5.816 -3.203 12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.289 -5.654 13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.522 -4.281 13.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.980 -4.613 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.730 -5.995 11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.507 -7.137 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.735 -5.747 11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.165 -6.040 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.933 -7.432 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.121 -8.102 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.759 -8.521 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.015 -7.173 9.423 1.00 0.00 H new ATOM 244 N LYS A 19 4.521 -2.088 14.839 1.00 0.00 N ATOM 245 CA LYS A 19 4.082 -1.339 16.049 1.00 0.00 C ATOM 246 C LYS A 19 2.645 -0.850 15.853 1.00 0.00 C ATOM 247 O LYS A 19 2.245 -0.486 14.765 1.00 0.00 O ATOM 248 CB LYS A 19 5.004 -0.137 16.268 1.00 0.00 C ATOM 249 CG LYS A 19 4.870 0.831 15.090 1.00 0.00 C ATOM 250 CD LYS A 19 5.822 2.011 15.287 1.00 0.00 C ATOM 251 CE LYS A 19 5.703 2.969 14.100 1.00 0.00 C ATOM 252 NZ LYS A 19 6.622 4.125 14.300 1.00 0.00 N ATOM 0 H LYS A 19 4.289 -1.649 13.948 1.00 0.00 H new ATOM 0 HA LYS A 19 4.128 -1.995 16.918 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.746 0.368 17.199 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.037 -0.470 16.363 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.099 0.318 14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.843 1.188 15.014 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.584 2.533 16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.848 1.653 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.951 2.450 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.676 3.320 14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.951 4.471 13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.118 4.888 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.440 3.824 14.868 1.00 0.00 H new ATOM 266 N GLU A 20 1.865 -0.839 16.900 1.00 0.00 N ATOM 267 CA GLU A 20 0.457 -0.368 16.775 1.00 0.00 C ATOM 268 C GLU A 20 0.151 0.626 17.897 1.00 0.00 C ATOM 269 O GLU A 20 0.693 0.540 18.981 1.00 0.00 O ATOM 270 CB GLU A 20 -0.491 -1.564 16.880 1.00 0.00 C ATOM 271 CG GLU A 20 -1.934 -1.088 16.701 1.00 0.00 C ATOM 272 CD GLU A 20 -2.878 -2.292 16.739 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.418 -3.369 17.082 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.044 -2.117 16.426 1.00 0.00 O ATOM 0 H GLU A 20 2.142 -1.136 17.836 1.00 0.00 H new ATOM 0 HA GLU A 20 0.321 0.120 15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.244 -2.305 16.120 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.375 -2.050 17.849 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.196 -0.382 17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.039 -0.560 15.753 1.00 0.00 H new ATOM 281 N GLU A 21 -0.712 1.572 17.645 1.00 0.00 N ATOM 282 CA GLU A 21 -1.049 2.571 18.698 1.00 0.00 C ATOM 283 C GLU A 21 -2.567 2.624 18.886 1.00 0.00 C ATOM 284 O GLU A 21 -3.308 2.875 17.956 1.00 0.00 O ATOM 285 CB GLU A 21 -0.540 3.950 18.273 1.00 0.00 C ATOM 286 CG GLU A 21 -0.799 4.959 19.395 1.00 0.00 C ATOM 287 CD GLU A 21 -0.274 6.334 18.977 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.952 6.996 18.208 1.00 0.00 O ATOM 289 OE2 GLU A 21 0.795 6.701 19.433 1.00 0.00 O ATOM 0 H GLU A 21 -1.198 1.696 16.757 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.577 2.282 19.637 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.526 3.903 18.051 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.042 4.269 17.360 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.866 5.015 19.609 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.307 4.634 20.312 1.00 0.00 H new ATOM 296 N VAL A 22 -3.035 2.389 20.081 1.00 0.00 N ATOM 297 CA VAL A 22 -4.503 2.423 20.327 1.00 0.00 C ATOM 298 C VAL A 22 -4.838 3.600 21.246 1.00 0.00 C ATOM 299 O VAL A 22 -4.224 3.790 22.276 1.00 0.00 O ATOM 300 CB VAL A 22 -4.941 1.118 20.992 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.373 1.262 21.511 1.00 0.00 C ATOM 302 CG2 VAL A 22 -4.883 -0.018 19.968 1.00 0.00 C ATOM 0 H VAL A 22 -2.463 2.175 20.898 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.027 2.540 19.378 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.275 0.894 21.825 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.684 0.331 21.985 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.416 2.072 22.239 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.041 1.486 20.679 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.195 -0.950 20.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.550 0.208 19.136 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.863 -0.123 19.598 1.00 0.00 H new ATOM 312 N ILE A 23 -5.808 4.393 20.881 1.00 0.00 N ATOM 313 CA ILE A 23 -6.179 5.557 21.735 1.00 0.00 C ATOM 314 C ILE A 23 -7.430 5.215 22.547 1.00 0.00 C ATOM 315 O ILE A 23 -8.406 4.718 22.022 1.00 0.00 O ATOM 316 CB ILE A 23 -6.463 6.770 20.847 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.207 7.120 20.046 1.00 0.00 C ATOM 318 CG2 ILE A 23 -6.856 7.962 21.721 1.00 0.00 C ATOM 319 CD1 ILE A 23 -5.549 8.178 18.996 1.00 0.00 C ATOM 0 H ILE A 23 -6.359 4.286 20.029 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.357 5.787 22.413 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.279 6.536 20.163 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.430 7.493 20.713 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.811 6.227 19.562 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.058 8.826 21.088 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.750 7.714 22.294 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.040 8.196 22.405 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.654 8.427 18.426 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.312 7.789 18.322 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.925 9.074 19.491 1.00 0.00 H new ATOM 331 N ARG A 24 -7.409 5.479 23.825 1.00 0.00 N ATOM 332 CA ARG A 24 -8.596 5.170 24.669 1.00 0.00 C ATOM 333 C ARG A 24 -9.838 5.829 24.066 1.00 0.00 C ATOM 334 O ARG A 24 -10.009 7.030 24.133 1.00 0.00 O ATOM 335 CB ARG A 24 -8.370 5.706 26.084 1.00 0.00 C ATOM 336 CG ARG A 24 -9.512 5.247 26.994 1.00 0.00 C ATOM 337 CD ARG A 24 -9.137 3.919 27.654 1.00 0.00 C ATOM 338 NE ARG A 24 -7.851 4.075 28.389 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.541 3.241 29.343 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.352 2.266 29.647 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.418 3.381 29.993 1.00 0.00 N ATOM 0 H ARG A 24 -6.621 5.895 24.320 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.741 4.090 24.708 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.416 5.348 26.472 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.319 6.795 26.068 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.709 6.001 27.756 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.428 5.132 26.415 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.924 3.606 28.340 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.044 3.139 26.899 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.213 4.833 28.147 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.229 2.155 29.139 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.109 1.614 30.393 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.783 4.143 29.755 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.176 2.729 30.739 1.00 0.00 H new ATOM 355 N LYS A 25 -10.706 5.053 23.477 1.00 0.00 N ATOM 356 CA LYS A 25 -11.930 5.639 22.862 1.00 0.00 C ATOM 357 C LYS A 25 -13.064 5.642 23.889 1.00 0.00 C ATOM 358 O LYS A 25 -14.088 6.269 23.696 1.00 0.00 O ATOM 359 CB LYS A 25 -12.343 4.801 21.650 1.00 0.00 C ATOM 360 CG LYS A 25 -11.280 4.926 20.556 1.00 0.00 C ATOM 361 CD LYS A 25 -11.741 4.171 19.307 1.00 0.00 C ATOM 362 CE LYS A 25 -11.555 2.668 19.522 1.00 0.00 C ATOM 363 NZ LYS A 25 -11.759 1.953 18.230 1.00 0.00 N ATOM 0 H LYS A 25 -10.621 4.040 23.395 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.724 6.661 22.544 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.461 3.757 21.940 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.309 5.138 21.274 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.110 5.976 20.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.331 4.522 20.908 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.788 4.393 19.101 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.169 4.499 18.439 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.556 2.466 19.908 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.264 2.306 20.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.633 0.931 18.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.721 2.137 17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.066 2.292 17.533 1.00 0.00 H new ATOM 377 N SER A 26 -12.891 4.947 24.980 1.00 0.00 N ATOM 378 CA SER A 26 -13.972 4.886 26.004 1.00 0.00 C ATOM 379 C SER A 26 -13.625 5.819 27.167 1.00 0.00 C ATOM 380 O SER A 26 -12.527 5.799 27.686 1.00 0.00 O ATOM 381 CB SER A 26 -14.103 3.455 26.521 1.00 0.00 C ATOM 382 OG SER A 26 -14.962 3.442 27.654 1.00 0.00 O ATOM 0 H SER A 26 -12.048 4.419 25.206 1.00 0.00 H new ATOM 0 HA SER A 26 -14.915 5.198 25.556 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.503 2.809 25.740 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.122 3.062 26.789 1.00 0.00 H new ATOM 0 HG SER A 26 -15.050 2.525 27.988 1.00 0.00 H new ATOM 388 N GLY A 27 -14.554 6.637 27.580 1.00 0.00 N ATOM 389 CA GLY A 27 -14.291 7.539 28.738 1.00 0.00 C ATOM 390 C GLY A 27 -14.113 8.974 28.238 1.00 0.00 C ATOM 391 O GLY A 27 -13.547 9.210 27.189 1.00 0.00 O ATOM 0 H GLY A 27 -15.483 6.720 27.167 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.118 7.489 29.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.396 7.214 29.269 1.00 0.00 H new ATOM 395 N LEU A 28 -14.592 9.934 28.981 1.00 0.00 N ATOM 396 CA LEU A 28 -14.458 11.352 28.541 1.00 0.00 C ATOM 397 C LEU A 28 -12.993 11.780 28.638 1.00 0.00 C ATOM 398 O LEU A 28 -12.515 12.573 27.850 1.00 0.00 O ATOM 399 CB LEU A 28 -15.313 12.247 29.441 1.00 0.00 C ATOM 400 CG LEU A 28 -15.216 13.696 28.961 1.00 0.00 C ATOM 401 CD1 LEU A 28 -15.693 13.787 27.510 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.096 14.585 29.842 1.00 0.00 C ATOM 0 H LEU A 28 -15.070 9.798 29.872 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.795 11.446 27.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.351 11.915 29.421 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.974 12.172 30.474 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.181 14.030 29.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.624 14.820 27.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.067 13.154 26.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.728 13.452 27.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.027 15.618 29.500 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.131 14.250 29.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.757 14.522 30.876 1.00 0.00 H new ATOM 414 N SER A 29 -12.275 11.262 29.596 1.00 0.00 N ATOM 415 CA SER A 29 -10.839 11.633 29.737 1.00 0.00 C ATOM 416 C SER A 29 -10.077 11.207 28.480 1.00 0.00 C ATOM 417 O SER A 29 -8.884 10.979 28.514 1.00 0.00 O ATOM 418 CB SER A 29 -10.247 10.927 30.956 1.00 0.00 C ATOM 419 OG SER A 29 -9.047 11.583 31.342 1.00 0.00 O ATOM 0 H SER A 29 -12.621 10.597 30.288 1.00 0.00 H new ATOM 0 HA SER A 29 -10.753 12.712 29.866 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.962 10.937 31.779 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.045 9.882 30.723 1.00 0.00 H new ATOM 0 HG SER A 29 -8.451 11.657 30.568 1.00 0.00 H new ATOM 425 N ALA A 30 -10.757 11.098 27.371 1.00 0.00 N ATOM 426 CA ALA A 30 -10.077 10.659 26.121 1.00 0.00 C ATOM 427 C ALA A 30 -8.709 11.338 26.018 1.00 0.00 C ATOM 428 O ALA A 30 -8.515 12.439 26.494 1.00 0.00 O ATOM 429 CB ALA A 30 -10.931 11.047 24.912 1.00 0.00 C ATOM 0 H ALA A 30 -11.754 11.294 27.277 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.945 9.577 26.141 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.433 10.726 23.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.905 10.563 24.984 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.064 12.129 24.892 1.00 0.00 H new ATOM 435 N GLY A 31 -7.759 10.690 25.401 1.00 0.00 N ATOM 436 CA GLY A 31 -6.406 11.300 25.268 1.00 0.00 C ATOM 437 C GLY A 31 -5.349 10.312 25.763 1.00 0.00 C ATOM 438 O GLY A 31 -4.188 10.406 25.418 1.00 0.00 O ATOM 0 H GLY A 31 -7.861 9.765 24.983 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.215 11.562 24.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.354 12.224 25.844 1.00 0.00 H new ATOM 442 N LYS A 32 -5.741 9.365 26.570 1.00 0.00 N ATOM 443 CA LYS A 32 -4.767 8.345 27.052 1.00 0.00 C ATOM 444 C LYS A 32 -4.574 7.275 25.976 1.00 0.00 C ATOM 445 O LYS A 32 -5.521 6.679 25.503 1.00 0.00 O ATOM 446 CB LYS A 32 -5.299 7.695 28.330 1.00 0.00 C ATOM 447 CG LYS A 32 -4.124 7.272 29.215 1.00 0.00 C ATOM 448 CD LYS A 32 -4.654 6.746 30.551 1.00 0.00 C ATOM 449 CE LYS A 32 -3.483 6.503 31.505 1.00 0.00 C ATOM 450 NZ LYS A 32 -3.993 5.925 32.780 1.00 0.00 N ATOM 0 H LYS A 32 -6.694 9.253 26.917 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.811 8.826 27.261 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.939 8.395 28.867 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.912 6.828 28.082 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.538 6.501 28.715 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.459 8.119 29.384 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.349 7.464 30.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.208 5.820 30.395 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.763 5.824 31.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.960 7.439 31.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.197 5.760 33.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.665 6.588 33.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.474 5.024 32.585 1.00 0.00 H new ATOM 464 N SER A 33 -3.354 7.027 25.584 1.00 0.00 N ATOM 465 CA SER A 33 -3.108 6.043 24.493 1.00 0.00 C ATOM 466 C SER A 33 -1.999 5.077 24.916 1.00 0.00 C ATOM 467 O SER A 33 -1.161 5.400 25.736 1.00 0.00 O ATOM 468 CB SER A 33 -2.681 6.784 23.226 1.00 0.00 C ATOM 469 OG SER A 33 -3.688 7.722 22.868 1.00 0.00 O ATOM 0 H SER A 33 -2.518 7.463 25.972 1.00 0.00 H new ATOM 0 HA SER A 33 -4.022 5.483 24.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.733 7.296 23.392 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.522 6.076 22.413 1.00 0.00 H new ATOM 0 HG SER A 33 -3.313 8.386 22.252 1.00 0.00 H new ATOM 475 N ASP A 34 -1.986 3.895 24.364 1.00 0.00 N ATOM 476 CA ASP A 34 -0.915 2.921 24.713 1.00 0.00 C ATOM 477 C ASP A 34 -0.246 2.418 23.432 1.00 0.00 C ATOM 478 O ASP A 34 -0.874 2.297 22.399 1.00 0.00 O ATOM 479 CB ASP A 34 -1.527 1.737 25.466 1.00 0.00 C ATOM 480 CG ASP A 34 -1.960 2.189 26.862 1.00 0.00 C ATOM 481 OD1 ASP A 34 -1.623 3.301 27.235 1.00 0.00 O ATOM 482 OD2 ASP A 34 -2.620 1.415 27.535 1.00 0.00 O ATOM 0 H ASP A 34 -2.671 3.562 23.686 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.172 3.409 25.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.384 1.346 24.917 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.802 0.927 25.543 1.00 0.00 H new ATOM 487 N VAL A 35 1.025 2.127 23.490 1.00 0.00 N ATOM 488 CA VAL A 35 1.737 1.657 22.269 1.00 0.00 C ATOM 489 C VAL A 35 2.002 0.154 22.377 1.00 0.00 C ATOM 490 O VAL A 35 2.511 -0.326 23.370 1.00 0.00 O ATOM 491 CB VAL A 35 3.068 2.401 22.137 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.690 2.098 20.773 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.823 3.907 22.261 1.00 0.00 C ATOM 0 H VAL A 35 1.600 2.194 24.330 1.00 0.00 H new ATOM 0 HA VAL A 35 1.121 1.854 21.392 1.00 0.00 H new ATOM 0 HB VAL A 35 3.746 2.075 22.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.638 2.628 20.679 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.863 1.026 20.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.013 2.424 19.984 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.770 4.439 22.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.145 4.232 21.472 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.379 4.125 23.233 1.00 0.00 H new ATOM 503 N TYR A 36 1.662 -0.591 21.361 1.00 0.00 N ATOM 504 CA TYR A 36 1.904 -2.062 21.402 1.00 0.00 C ATOM 505 C TYR A 36 2.918 -2.440 20.322 1.00 0.00 C ATOM 506 O TYR A 36 2.893 -1.921 19.224 1.00 0.00 O ATOM 507 CB TYR A 36 0.590 -2.803 21.151 1.00 0.00 C ATOM 508 CG TYR A 36 -0.413 -2.428 22.216 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.099 -1.211 22.135 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.656 -3.299 23.285 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.028 -0.864 23.122 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.585 -2.952 24.273 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.271 -1.734 24.193 1.00 0.00 C ATOM 514 OH TYR A 36 -3.187 -1.392 25.166 1.00 0.00 O ATOM 0 H TYR A 36 1.228 -0.246 20.505 1.00 0.00 H new ATOM 0 HA TYR A 36 2.295 -2.340 22.381 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.201 -2.550 20.165 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.760 -3.880 21.160 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.911 -0.539 21.310 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.127 -4.238 23.347 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.558 0.075 23.058 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.773 -3.624 25.097 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.236 -2.106 25.835 1.00 0.00 H new ATOM 524 N TYR A 37 3.812 -3.343 20.624 1.00 0.00 N ATOM 525 CA TYR A 37 4.824 -3.756 19.611 1.00 0.00 C ATOM 526 C TYR A 37 4.746 -5.269 19.399 1.00 0.00 C ATOM 527 O TYR A 37 4.592 -6.029 20.335 1.00 0.00 O ATOM 528 CB TYR A 37 6.223 -3.381 20.106 1.00 0.00 C ATOM 529 CG TYR A 37 6.380 -1.880 20.082 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.835 -1.242 18.922 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.071 -1.125 21.220 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.982 0.150 18.899 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.217 0.268 21.198 1.00 0.00 C ATOM 534 CZ TYR A 37 6.673 0.904 20.037 1.00 0.00 C ATOM 535 OH TYR A 37 6.816 2.277 20.015 1.00 0.00 O ATOM 0 H TYR A 37 3.885 -3.812 21.527 1.00 0.00 H new ATOM 0 HA TYR A 37 4.623 -3.247 18.668 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.375 -3.757 21.118 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.980 -3.847 19.475 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.073 -1.824 18.044 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.720 -1.617 22.115 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.334 0.642 18.004 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.978 0.851 22.075 1.00 0.00 H new ATOM 0 HH TYR A 37 7.357 2.537 19.240 1.00 0.00 H new ATOM 545 N PHE A 38 4.851 -5.712 18.177 1.00 0.00 N ATOM 546 CA PHE A 38 4.806 -7.177 17.909 1.00 0.00 C ATOM 547 C PHE A 38 6.162 -7.639 17.370 1.00 0.00 C ATOM 548 O PHE A 38 6.713 -7.050 16.462 1.00 0.00 O ATOM 549 CB PHE A 38 3.718 -7.474 16.874 1.00 0.00 C ATOM 550 CG PHE A 38 2.359 -7.294 17.506 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.747 -8.366 18.167 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.711 -6.055 17.431 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.487 -8.198 18.753 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.451 -5.889 18.017 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.162 -6.960 18.678 1.00 0.00 C ATOM 0 H PHE A 38 4.966 -5.123 17.352 1.00 0.00 H new ATOM 0 HA PHE A 38 4.582 -7.708 18.834 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.824 -6.808 16.018 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.825 -8.492 16.500 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.247 -9.322 18.225 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.183 -5.228 16.921 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.015 -9.024 19.264 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.049 -4.933 17.959 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.135 -6.831 19.130 1.00 0.00 H new ATOM 565 N SER A 39 6.703 -8.690 17.923 1.00 0.00 N ATOM 566 CA SER A 39 8.023 -9.188 17.443 1.00 0.00 C ATOM 567 C SER A 39 7.808 -10.372 16.499 1.00 0.00 C ATOM 568 O SER A 39 6.736 -10.941 16.437 1.00 0.00 O ATOM 569 CB SER A 39 8.864 -9.635 18.639 1.00 0.00 C ATOM 570 OG SER A 39 9.933 -8.716 18.831 1.00 0.00 O ATOM 0 H SER A 39 6.288 -9.225 18.686 1.00 0.00 H new ATOM 0 HA SER A 39 8.542 -8.390 16.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.246 -9.684 19.535 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.257 -10.637 18.468 1.00 0.00 H new ATOM 0 HG SER A 39 9.628 -7.810 18.616 1.00 0.00 H new ATOM 576 N PRO A 40 8.827 -10.737 15.770 1.00 0.00 N ATOM 577 CA PRO A 40 8.778 -11.898 14.838 1.00 0.00 C ATOM 578 C PRO A 40 8.443 -13.207 15.560 1.00 0.00 C ATOM 579 O PRO A 40 8.019 -14.172 14.954 1.00 0.00 O ATOM 580 CB PRO A 40 10.190 -11.955 14.254 1.00 0.00 C ATOM 581 CG PRO A 40 11.041 -11.171 15.198 1.00 0.00 C ATOM 582 CD PRO A 40 10.142 -10.077 15.756 1.00 0.00 C ATOM 0 HA PRO A 40 8.000 -11.780 14.084 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.540 -12.984 14.172 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.218 -11.527 13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.426 -11.805 15.996 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.903 -10.745 14.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.452 -9.764 16.753 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.145 -9.187 15.127 1.00 0.00 H new ATOM 590 N SER A 41 8.631 -13.248 16.851 1.00 0.00 N ATOM 591 CA SER A 41 8.296 -14.483 17.614 1.00 0.00 C ATOM 592 C SER A 41 6.788 -14.533 17.866 1.00 0.00 C ATOM 593 O SER A 41 6.269 -15.498 18.392 1.00 0.00 O ATOM 594 CB SER A 41 9.038 -14.473 18.950 1.00 0.00 C ATOM 595 OG SER A 41 8.190 -15.005 19.961 1.00 0.00 O ATOM 0 H SER A 41 9.002 -12.480 17.410 1.00 0.00 H new ATOM 0 HA SER A 41 8.597 -15.359 17.039 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.951 -15.064 18.877 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.336 -13.456 19.206 1.00 0.00 H new ATOM 0 HG SER A 41 8.663 -15.002 20.819 1.00 0.00 H new ATOM 601 N GLY A 42 6.081 -13.501 17.496 1.00 0.00 N ATOM 602 CA GLY A 42 4.604 -13.500 17.694 1.00 0.00 C ATOM 603 C GLY A 42 4.277 -13.020 19.109 1.00 0.00 C ATOM 604 O GLY A 42 3.129 -12.939 19.498 1.00 0.00 O ATOM 0 H GLY A 42 6.462 -12.659 17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.129 -12.850 16.960 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.205 -14.502 17.538 1.00 0.00 H new ATOM 608 N LYS A 43 5.278 -12.702 19.883 1.00 0.00 N ATOM 609 CA LYS A 43 5.024 -12.233 21.275 1.00 0.00 C ATOM 610 C LYS A 43 4.633 -10.755 21.252 1.00 0.00 C ATOM 611 O LYS A 43 5.207 -9.962 20.531 1.00 0.00 O ATOM 612 CB LYS A 43 6.292 -12.413 22.113 1.00 0.00 C ATOM 613 CG LYS A 43 5.951 -12.260 23.596 1.00 0.00 C ATOM 614 CD LYS A 43 7.149 -12.691 24.443 1.00 0.00 C ATOM 615 CE LYS A 43 6.825 -12.494 25.925 1.00 0.00 C ATOM 616 NZ LYS A 43 8.004 -12.883 26.748 1.00 0.00 N ATOM 0 H LYS A 43 6.260 -12.747 19.612 1.00 0.00 H new ATOM 0 HA LYS A 43 4.214 -12.816 21.713 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.726 -13.396 21.928 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.040 -11.675 21.823 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.691 -11.224 23.815 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.080 -12.866 23.844 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.388 -13.736 24.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.028 -12.107 24.172 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.563 -11.453 26.115 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.960 -13.097 26.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.784 -12.749 27.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.234 -13.882 26.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.818 -12.290 26.490 1.00 0.00 H new ATOM 630 N LYS A 44 3.662 -10.375 22.038 1.00 0.00 N ATOM 631 CA LYS A 44 3.208 -8.956 22.029 1.00 0.00 C ATOM 632 C LYS A 44 3.834 -8.214 23.212 1.00 0.00 C ATOM 633 O LYS A 44 4.058 -8.780 24.264 1.00 0.00 O ATOM 634 CB LYS A 44 1.684 -8.909 22.146 1.00 0.00 C ATOM 635 CG LYS A 44 1.215 -7.452 22.121 1.00 0.00 C ATOM 636 CD LYS A 44 -0.305 -7.407 21.954 1.00 0.00 C ATOM 637 CE LYS A 44 -0.976 -7.714 23.295 1.00 0.00 C ATOM 638 NZ LYS A 44 -0.632 -6.648 24.277 1.00 0.00 N ATOM 0 H LYS A 44 3.164 -10.986 22.685 1.00 0.00 H new ATOM 0 HA LYS A 44 3.516 -8.481 21.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.228 -9.463 21.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.365 -9.389 23.071 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.505 -6.950 23.044 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.697 -6.918 21.302 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.613 -6.424 21.598 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.621 -8.132 21.203 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.057 -7.772 23.168 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.646 -8.685 23.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.136 -7.070 25.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.016 -5.943 23.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.503 -6.185 24.607 1.00 0.00 H new ATOM 652 N PHE A 45 4.119 -6.952 23.049 1.00 0.00 N ATOM 653 CA PHE A 45 4.714 -6.170 24.170 1.00 0.00 C ATOM 654 C PHE A 45 3.822 -4.969 24.486 1.00 0.00 C ATOM 655 O PHE A 45 3.068 -4.507 23.652 1.00 0.00 O ATOM 656 CB PHE A 45 6.106 -5.681 23.767 1.00 0.00 C ATOM 657 CG PHE A 45 6.909 -6.836 23.219 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.075 -7.997 23.982 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.487 -6.745 21.946 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.820 -9.068 23.475 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.231 -7.817 21.439 1.00 0.00 C ATOM 662 CZ PHE A 45 8.397 -8.978 22.202 1.00 0.00 C ATOM 0 H PHE A 45 3.966 -6.428 22.188 1.00 0.00 H new ATOM 0 HA PHE A 45 4.793 -6.804 25.053 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.023 -4.894 23.017 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.614 -5.248 24.629 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.628 -8.067 24.963 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.359 -5.849 21.357 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.950 -9.963 24.065 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.677 -7.748 20.458 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.970 -9.805 21.809 1.00 0.00 H new ATOM 672 N ARG A 46 3.902 -4.458 25.684 1.00 0.00 N ATOM 673 CA ARG A 46 3.078 -3.270 26.044 1.00 0.00 C ATOM 674 C ARG A 46 3.959 -2.232 26.741 1.00 0.00 C ATOM 675 O ARG A 46 4.387 -2.418 27.863 1.00 0.00 O ATOM 676 CB ARG A 46 1.951 -3.697 26.988 1.00 0.00 C ATOM 677 CG ARG A 46 1.127 -4.807 26.330 1.00 0.00 C ATOM 678 CD ARG A 46 -0.176 -5.003 27.105 1.00 0.00 C ATOM 679 NE ARG A 46 0.133 -5.431 28.498 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.790 -5.374 29.419 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.985 -4.944 29.119 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.519 -5.748 30.639 1.00 0.00 N ATOM 0 H ARG A 46 4.502 -4.812 26.429 1.00 0.00 H new ATOM 0 HA ARG A 46 2.650 -2.837 25.140 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.367 -4.049 27.932 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.313 -2.844 27.219 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.911 -4.548 25.294 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.696 -5.736 26.314 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.747 -4.075 27.117 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.795 -5.752 26.612 1.00 0.00 H new ATOM 0 HE ARG A 46 1.067 -5.769 28.732 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.198 -4.653 28.165 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.707 -4.899 29.839 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.415 -6.085 30.874 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.241 -5.703 31.358 1.00 0.00 H new ATOM 696 N SER A 47 4.234 -1.137 26.085 1.00 0.00 N ATOM 697 CA SER A 47 5.070 -0.079 26.717 1.00 0.00 C ATOM 698 C SER A 47 6.541 -0.317 26.370 1.00 0.00 C ATOM 699 O SER A 47 6.938 -1.411 26.022 1.00 0.00 O ATOM 700 CB SER A 47 4.891 -0.126 28.234 1.00 0.00 C ATOM 701 OG SER A 47 5.773 -1.098 28.782 1.00 0.00 O ATOM 0 H SER A 47 3.915 -0.930 25.138 1.00 0.00 H new ATOM 0 HA SER A 47 4.762 0.898 26.345 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.097 0.853 28.666 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.859 -0.374 28.482 1.00 0.00 H new ATOM 0 HG SER A 47 5.587 -1.972 28.380 1.00 0.00 H new ATOM 707 N LYS A 48 7.355 0.699 26.463 1.00 0.00 N ATOM 708 CA LYS A 48 8.790 0.542 26.096 1.00 0.00 C ATOM 709 C LYS A 48 9.445 -0.484 27.024 1.00 0.00 C ATOM 710 O LYS A 48 10.178 -1.349 26.587 1.00 0.00 O ATOM 711 CB LYS A 48 9.504 1.888 26.241 1.00 0.00 C ATOM 712 CG LYS A 48 10.785 1.879 25.405 1.00 0.00 C ATOM 713 CD LYS A 48 11.955 2.369 26.260 1.00 0.00 C ATOM 714 CE LYS A 48 11.771 3.854 26.578 1.00 0.00 C ATOM 715 NZ LYS A 48 12.653 4.230 27.719 1.00 0.00 N ATOM 0 H LYS A 48 7.087 1.632 26.778 1.00 0.00 H new ATOM 0 HA LYS A 48 8.865 0.199 25.064 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.849 2.696 25.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.742 2.075 27.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.985 0.872 25.038 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.666 2.519 24.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.010 1.793 27.184 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.895 2.214 25.731 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.013 4.457 25.703 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.729 4.057 26.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.529 5.239 27.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.402 3.663 28.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.645 4.050 27.465 1.00 0.00 H new ATOM 729 N PRO A 49 9.179 -0.383 28.297 1.00 0.00 N ATOM 730 CA PRO A 49 9.757 -1.300 29.320 1.00 0.00 C ATOM 731 C PRO A 49 9.621 -2.773 28.922 1.00 0.00 C ATOM 732 O PRO A 49 10.483 -3.583 29.201 1.00 0.00 O ATOM 733 CB PRO A 49 8.935 -1.008 30.576 1.00 0.00 C ATOM 734 CG PRO A 49 8.442 0.393 30.412 1.00 0.00 C ATOM 735 CD PRO A 49 8.291 0.624 28.901 1.00 0.00 C ATOM 0 HA PRO A 49 10.827 -1.136 29.452 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.105 -1.708 30.673 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.543 -1.108 31.475 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.490 0.532 30.923 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.144 1.105 30.846 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.258 0.491 28.578 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.585 1.635 28.620 1.00 0.00 H new ATOM 743 N GLN A 50 8.545 -3.126 28.275 1.00 0.00 N ATOM 744 CA GLN A 50 8.355 -4.546 27.863 1.00 0.00 C ATOM 745 C GLN A 50 9.192 -4.834 26.615 1.00 0.00 C ATOM 746 O GLN A 50 9.943 -5.789 26.567 1.00 0.00 O ATOM 747 CB GLN A 50 6.877 -4.794 27.554 1.00 0.00 C ATOM 748 CG GLN A 50 6.639 -6.293 27.366 1.00 0.00 C ATOM 749 CD GLN A 50 6.925 -7.024 28.679 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.467 -8.112 28.677 1.00 0.00 O ATOM 751 NE2 GLN A 50 6.583 -6.468 29.808 1.00 0.00 N ATOM 0 H GLN A 50 7.789 -2.493 28.014 1.00 0.00 H new ATOM 0 HA GLN A 50 8.673 -5.203 28.672 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.256 -4.416 28.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.587 -4.253 26.653 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.610 -6.472 27.054 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.283 -6.678 26.575 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.128 -5.555 29.810 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.770 -6.946 30.689 1.00 0.00 H new ATOM 760 N LEU A 51 9.068 -4.018 25.605 1.00 0.00 N ATOM 761 CA LEU A 51 9.864 -4.243 24.365 1.00 0.00 C ATOM 762 C LEU A 51 11.354 -4.090 24.678 1.00 0.00 C ATOM 763 O LEU A 51 12.174 -4.869 24.236 1.00 0.00 O ATOM 764 CB LEU A 51 9.456 -3.216 23.306 1.00 0.00 C ATOM 765 CG LEU A 51 10.343 -3.378 22.070 1.00 0.00 C ATOM 766 CD1 LEU A 51 9.503 -3.171 20.808 1.00 0.00 C ATOM 767 CD2 LEU A 51 11.466 -2.338 22.109 1.00 0.00 C ATOM 0 H LEU A 51 8.451 -3.206 25.584 1.00 0.00 H new ATOM 0 HA LEU A 51 9.675 -5.249 23.989 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.409 -3.353 23.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.553 -2.207 23.706 1.00 0.00 H new ATOM 0 HG LEU A 51 10.773 -4.380 22.061 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.135 -3.286 19.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.702 -3.909 20.779 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.073 -2.169 20.817 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.099 -2.452 21.229 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.035 -1.337 22.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.065 -2.483 23.008 1.00 0.00 H new ATOM 779 N ALA A 52 11.711 -3.090 25.437 1.00 0.00 N ATOM 780 CA ALA A 52 13.147 -2.889 25.780 1.00 0.00 C ATOM 781 C ALA A 52 13.705 -4.165 26.414 1.00 0.00 C ATOM 782 O ALA A 52 14.779 -4.621 26.075 1.00 0.00 O ATOM 783 CB ALA A 52 13.278 -1.730 26.770 1.00 0.00 C ATOM 0 H ALA A 52 11.070 -2.403 25.834 1.00 0.00 H new ATOM 0 HA ALA A 52 13.707 -2.659 24.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.328 -1.583 27.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.882 -0.820 26.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.717 -1.960 27.676 1.00 0.00 H new ATOM 789 N ARG A 53 12.986 -4.743 27.337 1.00 0.00 N ATOM 790 CA ARG A 53 13.478 -5.983 27.999 1.00 0.00 C ATOM 791 C ARG A 53 13.667 -7.083 26.951 1.00 0.00 C ATOM 792 O ARG A 53 14.552 -7.909 27.058 1.00 0.00 O ATOM 793 CB ARG A 53 12.458 -6.443 29.043 1.00 0.00 C ATOM 794 CG ARG A 53 12.937 -6.031 30.436 1.00 0.00 C ATOM 795 CD ARG A 53 13.126 -4.514 30.486 1.00 0.00 C ATOM 796 NE ARG A 53 12.520 -3.979 31.737 1.00 0.00 N ATOM 797 CZ ARG A 53 11.257 -4.188 31.990 1.00 0.00 C ATOM 798 NH1 ARG A 53 10.527 -4.871 31.151 1.00 0.00 N ATOM 799 NH2 ARG A 53 10.723 -3.715 33.083 1.00 0.00 N ATOM 0 H ARG A 53 12.078 -4.409 27.661 1.00 0.00 H new ATOM 0 HA ARG A 53 14.431 -5.780 28.487 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.484 -6.000 28.836 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.334 -7.525 28.994 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.212 -6.342 31.188 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.876 -6.532 30.672 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.187 -4.268 30.449 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.661 -4.050 29.616 1.00 0.00 H new ATOM 0 HE ARG A 53 13.092 -3.450 32.395 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.944 -5.242 30.297 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.540 -5.034 31.349 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.293 -3.182 33.740 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.736 -3.879 33.280 1.00 0.00 H new ATOM 813 N TYR A 54 12.843 -7.102 25.940 1.00 0.00 N ATOM 814 CA TYR A 54 12.970 -8.158 24.897 1.00 0.00 C ATOM 815 C TYR A 54 14.307 -8.001 24.171 1.00 0.00 C ATOM 816 O TYR A 54 15.068 -8.940 24.042 1.00 0.00 O ATOM 817 CB TYR A 54 11.825 -8.023 23.891 1.00 0.00 C ATOM 818 CG TYR A 54 11.916 -9.133 22.873 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.741 -8.989 21.750 1.00 0.00 C ATOM 820 CD2 TYR A 54 11.174 -10.308 23.050 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.824 -10.019 20.806 1.00 0.00 C ATOM 822 CE2 TYR A 54 11.258 -11.338 22.106 1.00 0.00 C ATOM 823 CZ TYR A 54 12.083 -11.194 20.984 1.00 0.00 C ATOM 824 OH TYR A 54 12.165 -12.209 20.052 1.00 0.00 O ATOM 0 H TYR A 54 12.088 -6.433 25.791 1.00 0.00 H new ATOM 0 HA TYR A 54 12.926 -9.140 25.368 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.866 -8.066 24.407 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.876 -7.054 23.394 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.313 -8.083 21.613 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.537 -10.419 23.915 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.460 -9.908 19.940 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.686 -12.244 22.243 1.00 0.00 H new ATOM 0 HH TYR A 54 11.589 -12.953 20.327 1.00 0.00 H new ATOM 834 N LEU A 55 14.598 -6.823 23.693 1.00 0.00 N ATOM 835 CA LEU A 55 15.882 -6.610 22.966 1.00 0.00 C ATOM 836 C LEU A 55 17.042 -6.610 23.963 1.00 0.00 C ATOM 837 O LEU A 55 18.131 -7.057 23.663 1.00 0.00 O ATOM 838 CB LEU A 55 15.836 -5.265 22.237 1.00 0.00 C ATOM 839 CG LEU A 55 14.782 -5.319 21.131 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.575 -3.920 20.552 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.255 -6.264 20.023 1.00 0.00 C ATOM 0 H LEU A 55 14.003 -5.999 23.774 1.00 0.00 H new ATOM 0 HA LEU A 55 16.027 -7.413 22.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.600 -4.466 22.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.813 -5.036 21.812 1.00 0.00 H new ATOM 0 HG LEU A 55 13.841 -5.683 21.544 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.823 -3.960 19.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.239 -3.246 21.340 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.515 -3.554 20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.504 -6.304 19.234 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.196 -5.900 19.611 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.402 -7.263 20.435 1.00 0.00 H new ATOM 853 N GLY A 56 16.820 -6.113 25.149 1.00 0.00 N ATOM 854 CA GLY A 56 17.913 -6.085 26.162 1.00 0.00 C ATOM 855 C GLY A 56 18.898 -4.965 25.821 1.00 0.00 C ATOM 856 O GLY A 56 18.655 -4.156 24.949 1.00 0.00 O ATOM 0 H GLY A 56 15.929 -5.725 25.460 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.497 -5.927 27.157 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.430 -7.045 26.181 1.00 0.00 H new ATOM 860 N ASN A 57 20.011 -4.914 26.502 1.00 0.00 N ATOM 861 CA ASN A 57 21.010 -3.846 26.216 1.00 0.00 C ATOM 862 C ASN A 57 21.529 -4.004 24.784 1.00 0.00 C ATOM 863 O ASN A 57 22.019 -3.068 24.185 1.00 0.00 O ATOM 864 CB ASN A 57 22.178 -3.965 27.197 1.00 0.00 C ATOM 865 CG ASN A 57 21.798 -3.307 28.525 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.149 -3.797 29.580 1.00 0.00 O ATOM 867 ND2 ASN A 57 21.089 -2.212 28.517 1.00 0.00 N ATOM 0 H ASN A 57 20.271 -5.565 27.243 1.00 0.00 H new ATOM 0 HA ASN A 57 20.540 -2.869 26.327 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.427 -5.014 27.357 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.065 -3.486 26.782 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.829 -1.766 29.397 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.795 -1.801 27.631 1.00 0.00 H new ATOM 874 N ALA A 58 21.426 -5.182 24.233 1.00 0.00 N ATOM 875 CA ALA A 58 21.898 -5.393 22.836 1.00 0.00 C ATOM 876 C ALA A 58 21.470 -4.208 21.968 1.00 0.00 C ATOM 877 O ALA A 58 22.050 -3.942 20.934 1.00 0.00 O ATOM 878 CB ALA A 58 21.285 -6.680 22.280 1.00 0.00 C ATOM 0 H ALA A 58 21.036 -6.007 24.689 1.00 0.00 H new ATOM 0 HA ALA A 58 22.985 -5.475 22.828 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.630 -6.835 21.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.590 -7.525 22.898 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.198 -6.598 22.288 1.00 0.00 H new ATOM 884 N VAL A 59 20.459 -3.494 22.381 1.00 0.00 N ATOM 885 CA VAL A 59 20.002 -2.320 21.586 1.00 0.00 C ATOM 886 C VAL A 59 19.625 -1.179 22.533 1.00 0.00 C ATOM 887 O VAL A 59 19.035 -1.392 23.573 1.00 0.00 O ATOM 888 CB VAL A 59 18.782 -2.713 20.750 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.160 -1.459 20.132 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.215 -3.667 19.636 1.00 0.00 C ATOM 0 H VAL A 59 19.930 -3.673 23.234 1.00 0.00 H new ATOM 0 HA VAL A 59 20.805 -1.994 20.925 1.00 0.00 H new ATOM 0 HB VAL A 59 18.048 -3.206 21.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.291 -1.739 19.537 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.852 -0.777 20.925 1.00 0.00 H new ATOM 0 HG13 VAL A 59 18.893 -0.966 19.494 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.347 -3.948 19.040 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.949 -3.173 18.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.659 -4.561 20.074 1.00 0.00 H new ATOM 900 N ASP A 60 19.963 0.032 22.182 1.00 0.00 N ATOM 901 CA ASP A 60 19.621 1.185 23.062 1.00 0.00 C ATOM 902 C ASP A 60 18.403 1.917 22.494 1.00 0.00 C ATOM 903 O ASP A 60 18.439 2.448 21.402 1.00 0.00 O ATOM 904 CB ASP A 60 20.809 2.147 23.127 1.00 0.00 C ATOM 905 CG ASP A 60 21.953 1.496 23.906 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.731 0.437 24.470 1.00 0.00 O ATOM 907 OD2 ASP A 60 23.031 2.067 23.926 1.00 0.00 O ATOM 0 H ASP A 60 20.461 0.272 21.325 1.00 0.00 H new ATOM 0 HA ASP A 60 19.392 0.822 24.064 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.140 2.401 22.120 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.510 3.078 23.609 1.00 0.00 H new ATOM 912 N LEU A 61 17.324 1.948 23.228 1.00 0.00 N ATOM 913 CA LEU A 61 16.103 2.641 22.727 1.00 0.00 C ATOM 914 C LEU A 61 16.026 4.041 23.337 1.00 0.00 C ATOM 915 O LEU A 61 14.993 4.680 23.322 1.00 0.00 O ATOM 916 CB LEU A 61 14.862 1.841 23.128 1.00 0.00 C ATOM 917 CG LEU A 61 14.885 0.478 22.434 1.00 0.00 C ATOM 918 CD1 LEU A 61 13.774 -0.404 23.003 1.00 0.00 C ATOM 919 CD2 LEU A 61 14.664 0.670 20.931 1.00 0.00 C ATOM 0 H LEU A 61 17.235 1.524 24.151 1.00 0.00 H new ATOM 0 HA LEU A 61 16.149 2.720 21.641 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.835 1.709 24.210 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.960 2.386 22.851 1.00 0.00 H new ATOM 0 HG LEU A 61 15.850 -0.000 22.603 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.791 -1.375 22.508 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.929 -0.539 24.073 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.808 0.073 22.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.680 -0.300 20.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.699 1.148 20.763 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.456 1.299 20.524 1.00 0.00 H new ATOM 931 N SER A 62 17.112 4.525 23.875 1.00 0.00 N ATOM 932 CA SER A 62 17.096 5.877 24.501 1.00 0.00 C ATOM 933 C SER A 62 16.673 6.916 23.461 1.00 0.00 C ATOM 934 O SER A 62 15.872 7.788 23.731 1.00 0.00 O ATOM 935 CB SER A 62 18.495 6.215 25.020 1.00 0.00 C ATOM 936 OG SER A 62 18.569 7.608 25.292 1.00 0.00 O ATOM 0 H SER A 62 18.010 4.042 23.908 1.00 0.00 H new ATOM 0 HA SER A 62 16.389 5.885 25.330 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.708 5.644 25.924 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.247 5.936 24.282 1.00 0.00 H new ATOM 0 HG SER A 62 19.463 7.829 25.626 1.00 0.00 H new ATOM 942 N CYS A 63 17.204 6.830 22.272 1.00 0.00 N ATOM 943 CA CYS A 63 16.828 7.810 21.216 1.00 0.00 C ATOM 944 C CYS A 63 15.566 7.328 20.498 1.00 0.00 C ATOM 945 O CYS A 63 15.186 7.851 19.471 1.00 0.00 O ATOM 946 CB CYS A 63 17.972 7.937 20.207 1.00 0.00 C ATOM 947 SG CYS A 63 19.476 8.465 21.063 1.00 0.00 S ATOM 0 H CYS A 63 17.882 6.123 21.987 1.00 0.00 H new ATOM 0 HA CYS A 63 16.637 8.781 21.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.140 6.982 19.710 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.710 8.658 19.432 1.00 0.00 H new ATOM 0 HG CYS A 63 20.448 8.571 20.207 1.00 0.00 H new ATOM 953 N PHE A 64 14.913 6.331 21.032 1.00 0.00 N ATOM 954 CA PHE A 64 13.679 5.813 20.378 1.00 0.00 C ATOM 955 C PHE A 64 12.470 6.102 21.270 1.00 0.00 C ATOM 956 O PHE A 64 12.339 5.559 22.349 1.00 0.00 O ATOM 957 CB PHE A 64 13.809 4.303 20.168 1.00 0.00 C ATOM 958 CG PHE A 64 12.545 3.772 19.535 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.329 3.934 18.160 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.589 3.120 20.321 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.156 3.442 17.574 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.417 2.628 19.735 1.00 0.00 C ATOM 963 CZ PHE A 64 10.201 2.788 18.362 1.00 0.00 C ATOM 0 H PHE A 64 15.181 5.854 21.893 1.00 0.00 H new ATOM 0 HA PHE A 64 13.545 6.304 19.414 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.666 4.086 19.531 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.987 3.806 21.122 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.066 4.438 17.553 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.755 2.996 21.381 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.988 3.567 16.514 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.679 2.125 20.343 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.297 2.407 17.910 1.00 0.00 H new ATOM 973 N ASP A 65 11.585 6.952 20.828 1.00 0.00 N ATOM 974 CA ASP A 65 10.383 7.270 21.649 1.00 0.00 C ATOM 975 C ASP A 65 9.179 6.491 21.113 1.00 0.00 C ATOM 976 O ASP A 65 8.656 6.789 20.058 1.00 0.00 O ATOM 977 CB ASP A 65 10.094 8.771 21.572 1.00 0.00 C ATOM 978 CG ASP A 65 11.183 9.539 22.322 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.008 8.896 22.951 1.00 0.00 O ATOM 980 OD2 ASP A 65 11.174 10.757 22.256 1.00 0.00 O ATOM 0 H ASP A 65 11.642 7.440 19.934 1.00 0.00 H new ATOM 0 HA ASP A 65 10.567 6.988 22.686 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.059 9.092 20.531 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.118 8.987 22.006 1.00 0.00 H new ATOM 985 N PHE A 66 8.736 5.497 21.832 1.00 0.00 N ATOM 986 CA PHE A 66 7.572 4.696 21.360 1.00 0.00 C ATOM 987 C PHE A 66 6.344 5.601 21.249 1.00 0.00 C ATOM 988 O PHE A 66 5.512 5.431 20.379 1.00 0.00 O ATOM 989 CB PHE A 66 7.287 3.571 22.358 1.00 0.00 C ATOM 990 CG PHE A 66 7.157 4.150 23.746 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.295 4.598 24.428 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.899 4.240 24.353 1.00 0.00 C ATOM 993 CE1 PHE A 66 8.175 5.135 25.715 1.00 0.00 C ATOM 994 CE2 PHE A 66 5.778 4.777 25.640 1.00 0.00 C ATOM 995 CZ PHE A 66 6.916 5.224 26.321 1.00 0.00 C ATOM 0 H PHE A 66 9.130 5.205 22.726 1.00 0.00 H new ATOM 0 HA PHE A 66 7.798 4.267 20.384 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.370 3.050 22.083 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.091 2.836 22.333 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.266 4.529 23.961 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.021 3.895 23.828 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.053 5.481 26.240 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.807 4.846 26.107 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.823 5.638 27.314 1.00 0.00 H new ATOM 1005 N ARG A 67 6.221 6.563 22.123 1.00 0.00 N ATOM 1006 CA ARG A 67 5.055 7.487 22.055 1.00 0.00 C ATOM 1007 C ARG A 67 4.684 7.735 20.591 1.00 0.00 C ATOM 1008 O ARG A 67 3.534 7.654 20.209 1.00 0.00 O ATOM 1009 CB ARG A 67 5.418 8.816 22.721 1.00 0.00 C ATOM 1010 CG ARG A 67 5.900 8.555 24.150 1.00 0.00 C ATOM 1011 CD ARG A 67 4.744 8.006 24.987 1.00 0.00 C ATOM 1012 NE ARG A 67 4.872 8.492 26.391 1.00 0.00 N ATOM 1013 CZ ARG A 67 6.008 8.371 27.022 1.00 0.00 C ATOM 1014 NH1 ARG A 67 7.032 7.825 26.423 1.00 0.00 N ATOM 1015 NH2 ARG A 67 6.120 8.795 28.250 1.00 0.00 N ATOM 0 H ARG A 67 6.878 6.748 22.881 1.00 0.00 H new ATOM 0 HA ARG A 67 4.207 7.040 22.574 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.197 9.321 22.149 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.552 9.478 22.733 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.727 7.844 24.142 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.277 9.477 24.592 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.791 8.327 24.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.751 6.916 24.966 1.00 0.00 H new ATOM 0 HE ARG A 67 4.072 8.919 26.858 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.944 7.493 25.462 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.920 7.730 26.916 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.320 9.221 28.717 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.008 8.700 28.743 1.00 0.00 H new ATOM 1029 N THR A 68 5.651 8.037 19.768 1.00 0.00 N ATOM 1030 CA THR A 68 5.352 8.295 18.332 1.00 0.00 C ATOM 1031 C THR A 68 6.197 7.364 17.459 1.00 0.00 C ATOM 1032 O THR A 68 6.290 7.536 16.261 1.00 0.00 O ATOM 1033 CB THR A 68 5.686 9.751 17.995 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.089 9.949 18.099 1.00 0.00 O ATOM 1035 CG2 THR A 68 4.963 10.681 18.971 1.00 0.00 C ATOM 0 H THR A 68 6.634 8.116 20.028 1.00 0.00 H new ATOM 0 HA THR A 68 4.295 8.111 18.143 1.00 0.00 H new ATOM 0 HB THR A 68 5.362 9.973 16.978 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.267 10.821 18.510 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.201 11.717 18.731 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.887 10.528 18.890 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.285 10.462 19.989 1.00 0.00 H new ATOM 1043 N GLY A 69 6.812 6.377 18.052 1.00 0.00 N ATOM 1044 CA GLY A 69 7.657 5.441 17.258 1.00 0.00 C ATOM 1045 C GLY A 69 8.657 6.239 16.420 1.00 0.00 C ATOM 1046 O GLY A 69 8.900 5.936 15.269 1.00 0.00 O ATOM 0 H GLY A 69 6.766 6.179 19.051 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.187 4.760 17.924 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.030 4.830 16.609 1.00 0.00 H new ATOM 1050 N LYS A 70 9.240 7.259 16.989 1.00 0.00 N ATOM 1051 CA LYS A 70 10.226 8.074 16.225 1.00 0.00 C ATOM 1052 C LYS A 70 11.625 7.858 16.807 1.00 0.00 C ATOM 1053 O LYS A 70 11.784 7.554 17.973 1.00 0.00 O ATOM 1054 CB LYS A 70 9.853 9.555 16.329 1.00 0.00 C ATOM 1055 CG LYS A 70 8.580 9.819 15.523 1.00 0.00 C ATOM 1056 CD LYS A 70 8.233 11.307 15.589 1.00 0.00 C ATOM 1057 CE LYS A 70 6.984 11.578 14.749 1.00 0.00 C ATOM 1058 NZ LYS A 70 6.647 13.028 14.812 1.00 0.00 N ATOM 0 H LYS A 70 9.076 7.563 17.949 1.00 0.00 H new ATOM 0 HA LYS A 70 10.217 7.770 15.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.699 9.830 17.373 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.668 10.173 15.954 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.723 9.514 14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.756 9.225 15.919 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.060 11.605 16.623 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.068 11.903 15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.156 11.278 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.148 10.983 15.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.798 13.212 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.466 13.300 15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.442 13.586 14.440 1.00 0.00 H new ATOM 1072 N MET A 71 12.642 8.014 16.005 1.00 0.00 N ATOM 1073 CA MET A 71 14.030 7.827 16.514 1.00 0.00 C ATOM 1074 C MET A 71 14.824 9.120 16.318 1.00 0.00 C ATOM 1075 O MET A 71 14.837 9.696 15.248 1.00 0.00 O ATOM 1076 CB MET A 71 14.706 6.691 15.745 1.00 0.00 C ATOM 1077 CG MET A 71 16.119 6.474 16.291 1.00 0.00 C ATOM 1078 SD MET A 71 16.843 5.003 15.527 1.00 0.00 S ATOM 1079 CE MET A 71 16.942 3.993 17.025 1.00 0.00 C ATOM 0 H MET A 71 12.572 8.263 15.018 1.00 0.00 H new ATOM 0 HA MET A 71 13.998 7.579 17.575 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.123 5.775 15.841 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.748 6.932 14.683 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.738 7.347 16.083 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.087 6.356 17.374 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.336 3.008 16.774 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.602 4.475 17.746 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.947 3.886 17.458 1.00 0.00 H new