USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 CYS SG : rot 132:sc= -4.58! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= -0.629 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 35 TYR OH : rot 106:sc= -0.0967! USER MOD Single : A 36 GLN : amide:sc= -0.0662 K(o=-0.066,f=-1.3) USER MOD Single : A 37 SER OG : rot 123:sc= -4.71! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -180:sc= -0.61 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -29:sc= -10.5! USER MOD Single : A 52 TYR OH : rot 80:sc= 0.152 USER MOD Single : A 57 CYS SG : rot -150:sc= -0.0501 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00355 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 55.379 -9.767 0.661 1.00 0.00 N ATOM 56 CA TRP A 5 56.651 -9.517 1.393 1.00 0.00 C ATOM 57 C TRP A 5 57.796 -10.270 0.710 1.00 0.00 C ATOM 58 O TRP A 5 57.981 -11.453 0.912 1.00 0.00 O ATOM 59 CB TRP A 5 56.506 -10.004 2.835 1.00 0.00 C ATOM 60 CG TRP A 5 55.368 -9.285 3.487 1.00 0.00 C ATOM 61 CD1 TRP A 5 54.102 -9.753 3.582 1.00 0.00 C ATOM 62 CD2 TRP A 5 55.371 -7.980 4.131 1.00 0.00 C ATOM 63 NE1 TRP A 5 53.329 -8.817 4.245 1.00 0.00 N ATOM 64 CE2 TRP A 5 54.066 -7.707 4.604 1.00 0.00 C ATOM 65 CE3 TRP A 5 56.371 -7.017 4.350 1.00 0.00 C ATOM 66 CZ2 TRP A 5 53.764 -6.519 5.270 1.00 0.00 C ATOM 67 CZ3 TRP A 5 56.071 -5.820 5.019 1.00 0.00 C ATOM 68 CH2 TRP A 5 54.770 -5.572 5.479 1.00 0.00 C ATOM 0 HA TRP A 5 56.871 -8.449 1.387 1.00 0.00 H new ATOM 0 HB2 TRP A 5 56.329 -11.079 2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 5 57.429 -9.824 3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 5 53.752 -10.702 3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 5 52.335 -8.933 4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 5 57.377 -7.199 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 52.760 -6.333 5.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 56.847 -5.086 5.180 1.00 0.00 H new ATOM 0 HH2 TRP A 5 54.546 -4.650 5.994 1.00 0.00 H new ATOM 79 N LEU A 6 58.568 -9.591 -0.095 1.00 0.00 N ATOM 80 CA LEU A 6 59.703 -10.265 -0.786 1.00 0.00 C ATOM 81 C LEU A 6 61.023 -9.714 -0.248 1.00 0.00 C ATOM 82 O LEU A 6 61.092 -8.596 0.223 1.00 0.00 O ATOM 83 CB LEU A 6 59.620 -9.997 -2.290 1.00 0.00 C ATOM 84 CG LEU A 6 58.264 -10.459 -2.822 1.00 0.00 C ATOM 85 CD1 LEU A 6 58.165 -10.138 -4.315 1.00 0.00 C ATOM 86 CD2 LEU A 6 58.127 -11.969 -2.616 1.00 0.00 C ATOM 0 H LEU A 6 58.461 -8.598 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 6 59.651 -11.338 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 6 59.756 -8.934 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 6 60.423 -10.522 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 6 57.467 -9.943 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 6 57.198 -10.467 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 6 58.266 -9.063 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 6 58.961 -10.655 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 6 57.160 -12.302 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 6 58.924 -12.483 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 6 58.199 -12.199 -1.553 1.00 0.00 H new ATOM 98 N ASP A 7 62.074 -10.485 -0.318 1.00 0.00 N ATOM 99 CA ASP A 7 63.386 -9.994 0.186 1.00 0.00 C ATOM 100 C ASP A 7 63.650 -8.603 -0.393 1.00 0.00 C ATOM 101 O ASP A 7 63.370 -8.342 -1.545 1.00 0.00 O ATOM 102 CB ASP A 7 64.495 -10.952 -0.256 1.00 0.00 C ATOM 103 CG ASP A 7 65.051 -11.689 0.964 1.00 0.00 C ATOM 104 OD1 ASP A 7 64.272 -11.993 1.854 1.00 0.00 O ATOM 105 OD2 ASP A 7 66.245 -11.938 0.989 1.00 0.00 O ATOM 0 H ASP A 7 62.080 -11.430 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 7 63.369 -9.944 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 7 64.105 -11.668 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 7 65.291 -10.398 -0.753 1.00 0.00 H new ATOM 110 N CYS A 8 64.178 -7.707 0.394 1.00 0.00 N ATOM 111 CA CYS A 8 64.447 -6.333 -0.119 1.00 0.00 C ATOM 112 C CYS A 8 65.871 -6.263 -0.689 1.00 0.00 C ATOM 113 O CYS A 8 66.830 -6.345 0.049 1.00 0.00 O ATOM 114 CB CYS A 8 64.316 -5.330 1.029 1.00 0.00 C ATOM 115 SG CYS A 8 64.504 -3.649 0.386 1.00 0.00 S ATOM 0 H CYS A 8 64.435 -7.866 1.368 1.00 0.00 H new ATOM 0 HA CYS A 8 63.729 -6.094 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 8 63.345 -5.439 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.074 -5.528 1.787 1.00 0.00 H new ATOM 0 HG CYS A 8 63.541 -2.902 0.837 1.00 0.00 H new ATOM 121 N PRO A 9 65.970 -6.106 -1.985 1.00 0.00 N ATOM 122 CA PRO A 9 67.270 -6.016 -2.668 1.00 0.00 C ATOM 123 C PRO A 9 67.845 -4.606 -2.514 1.00 0.00 C ATOM 124 O PRO A 9 68.993 -4.426 -2.157 1.00 0.00 O ATOM 125 CB PRO A 9 66.928 -6.303 -4.132 1.00 0.00 C ATOM 126 CG PRO A 9 65.426 -5.972 -4.300 1.00 0.00 C ATOM 127 CD PRO A 9 64.807 -6.008 -2.890 1.00 0.00 C ATOM 0 HA PRO A 9 68.016 -6.702 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 9 67.537 -5.694 -4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 67.127 -7.346 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 9 65.294 -4.991 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 9 64.941 -6.696 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.221 -5.111 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 9 64.137 -6.860 -2.771 1.00 0.00 H new ATOM 135 N ALA A 10 67.051 -3.605 -2.781 1.00 0.00 N ATOM 136 CA ALA A 10 67.541 -2.206 -2.652 1.00 0.00 C ATOM 137 C ALA A 10 68.205 -2.022 -1.286 1.00 0.00 C ATOM 138 O ALA A 10 69.174 -1.302 -1.148 1.00 0.00 O ATOM 139 CB ALA A 10 66.363 -1.240 -2.784 1.00 0.00 C ATOM 0 H ALA A 10 66.081 -3.698 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 10 68.268 -2.000 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 10 66.721 -0.215 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 10 65.892 -1.372 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.635 -1.444 -1.998 1.00 0.00 H new ATOM 145 N LEU A 11 67.691 -2.668 -0.274 1.00 0.00 N ATOM 146 CA LEU A 11 68.294 -2.530 1.082 1.00 0.00 C ATOM 147 C LEU A 11 69.221 -3.718 1.354 1.00 0.00 C ATOM 148 O LEU A 11 70.417 -3.563 1.493 1.00 0.00 O ATOM 149 CB LEU A 11 67.183 -2.494 2.136 1.00 0.00 C ATOM 150 CG LEU A 11 66.341 -1.224 1.968 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.528 -0.981 3.241 1.00 0.00 C ATOM 152 CD2 LEU A 11 67.258 -0.022 1.722 1.00 0.00 C ATOM 0 H LEU A 11 66.880 -3.285 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 11 68.868 -1.605 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.549 -3.376 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.617 -2.523 3.135 1.00 0.00 H new ATOM 0 HG LEU A 11 65.670 -1.349 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.929 -0.078 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.871 -1.832 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.204 -0.860 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.654 0.878 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 11 67.931 0.102 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 67.842 -0.189 0.817 1.00 0.00 H new ATOM 164 N GLY A 12 68.681 -4.905 1.432 1.00 0.00 N ATOM 165 CA GLY A 12 69.541 -6.096 1.696 1.00 0.00 C ATOM 166 C GLY A 12 68.688 -7.236 2.261 1.00 0.00 C ATOM 167 O GLY A 12 67.487 -7.254 2.085 1.00 0.00 O ATOM 0 H GLY A 12 67.686 -5.101 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 12 70.028 -6.416 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.331 -5.837 2.401 1.00 0.00 H new ATOM 171 N PRO A 13 69.341 -8.155 2.925 1.00 0.00 N ATOM 172 CA PRO A 13 68.673 -9.320 3.532 1.00 0.00 C ATOM 173 C PRO A 13 67.956 -8.912 4.822 1.00 0.00 C ATOM 174 O PRO A 13 68.254 -7.894 5.414 1.00 0.00 O ATOM 175 CB PRO A 13 69.826 -10.285 3.822 1.00 0.00 C ATOM 176 CG PRO A 13 71.109 -9.425 3.892 1.00 0.00 C ATOM 177 CD PRO A 13 70.803 -8.118 3.136 1.00 0.00 C ATOM 0 HA PRO A 13 67.910 -9.761 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 13 69.662 -10.815 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 13 69.907 -11.040 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 13 71.382 -9.219 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 13 71.951 -9.947 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.100 -7.244 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 13 71.341 -8.070 2.189 1.00 0.00 H new ATOM 185 N GLY A 14 67.008 -9.696 5.259 1.00 0.00 N ATOM 186 CA GLY A 14 66.268 -9.347 6.506 1.00 0.00 C ATOM 187 C GLY A 14 65.173 -8.333 6.172 1.00 0.00 C ATOM 188 O GLY A 14 63.997 -8.633 6.232 1.00 0.00 O ATOM 0 H GLY A 14 66.714 -10.562 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 14 65.829 -10.243 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 14 66.952 -8.931 7.245 1.00 0.00 H new ATOM 192 N TRP A 15 65.550 -7.137 5.810 1.00 0.00 N ATOM 193 CA TRP A 15 64.531 -6.107 5.461 1.00 0.00 C ATOM 194 C TRP A 15 63.542 -6.710 4.461 1.00 0.00 C ATOM 195 O TRP A 15 63.930 -7.271 3.455 1.00 0.00 O ATOM 196 CB TRP A 15 65.231 -4.897 4.833 1.00 0.00 C ATOM 197 CG TRP A 15 64.375 -3.680 4.985 1.00 0.00 C ATOM 198 CD1 TRP A 15 63.735 -3.051 3.973 1.00 0.00 C ATOM 199 CD2 TRP A 15 64.057 -2.932 6.196 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.046 -1.966 4.484 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.211 -1.851 5.849 1.00 0.00 C ATOM 202 CE3 TRP A 15 64.415 -3.084 7.547 1.00 0.00 C ATOM 203 CZ2 TRP A 15 62.739 -0.954 6.807 1.00 0.00 C ATOM 204 CZ3 TRP A 15 63.941 -2.182 8.514 1.00 0.00 C ATOM 205 CH2 TRP A 15 63.104 -1.120 8.144 1.00 0.00 C ATOM 0 H TRP A 15 66.520 -6.829 5.741 1.00 0.00 H new ATOM 0 HA TRP A 15 63.997 -5.788 6.356 1.00 0.00 H new ATOM 0 HB2 TRP A 15 66.197 -4.735 5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.426 -5.086 3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.758 -3.348 2.935 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.484 -1.328 3.920 1.00 0.00 H new ATOM 0 HE3 TRP A 15 65.058 -3.899 7.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 62.096 -0.137 6.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 64.223 -2.307 9.549 1.00 0.00 H new ATOM 0 HH2 TRP A 15 62.742 -0.431 8.893 1.00 0.00 H new ATOM 216 N LYS A 16 62.268 -6.608 4.728 1.00 0.00 N ATOM 217 CA LYS A 16 61.267 -7.187 3.789 1.00 0.00 C ATOM 218 C LYS A 16 60.701 -6.081 2.899 1.00 0.00 C ATOM 219 O LYS A 16 60.130 -5.120 3.374 1.00 0.00 O ATOM 220 CB LYS A 16 60.132 -7.833 4.586 1.00 0.00 C ATOM 221 CG LYS A 16 60.702 -8.928 5.491 1.00 0.00 C ATOM 222 CD LYS A 16 60.431 -10.298 4.866 1.00 0.00 C ATOM 223 CE LYS A 16 60.371 -11.360 5.966 1.00 0.00 C ATOM 224 NZ LYS A 16 61.506 -12.311 5.801 1.00 0.00 N ATOM 0 H LYS A 16 61.879 -6.151 5.552 1.00 0.00 H new ATOM 0 HA LYS A 16 61.748 -7.942 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 59.621 -7.080 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.392 -8.256 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.774 -8.783 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.247 -8.871 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 16 59.491 -10.278 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.216 -10.544 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 16 60.419 -10.886 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 59.423 -11.896 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 61.465 -13.033 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 61.441 -12.772 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.405 -11.793 5.868 1.00 0.00 H new ATOM 238 N ARG A 17 60.854 -6.211 1.611 1.00 0.00 N ATOM 239 CA ARG A 17 60.325 -5.167 0.690 1.00 0.00 C ATOM 240 C ARG A 17 58.919 -5.562 0.232 1.00 0.00 C ATOM 241 O ARG A 17 58.747 -6.445 -0.585 1.00 0.00 O ATOM 242 CB ARG A 17 61.248 -5.051 -0.526 1.00 0.00 C ATOM 243 CG ARG A 17 60.816 -3.865 -1.389 1.00 0.00 C ATOM 244 CD ARG A 17 62.026 -3.324 -2.154 1.00 0.00 C ATOM 245 NE ARG A 17 61.684 -2.003 -2.749 1.00 0.00 N ATOM 246 CZ ARG A 17 60.795 -1.926 -3.701 1.00 0.00 C ATOM 247 NH1 ARG A 17 60.436 -3.001 -4.349 1.00 0.00 N ATOM 248 NH2 ARG A 17 60.265 -0.773 -4.006 1.00 0.00 N ATOM 0 H ARG A 17 61.322 -6.995 1.156 1.00 0.00 H new ATOM 0 HA ARG A 17 60.282 -4.208 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.280 -4.919 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 17 61.213 -5.970 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 17 60.039 -4.174 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.388 -3.082 -0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 17 62.879 -3.223 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.318 -4.024 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 17 62.145 -1.158 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 17 60.851 -3.902 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 17 59.741 -2.940 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 17 60.546 0.067 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 17 59.570 -0.712 -4.750 1.00 0.00 H new ATOM 262 N ARG A 18 57.911 -4.920 0.756 1.00 0.00 N ATOM 263 CA ARG A 18 56.516 -5.266 0.357 1.00 0.00 C ATOM 264 C ARG A 18 55.998 -4.256 -0.671 1.00 0.00 C ATOM 265 O ARG A 18 56.405 -3.111 -0.695 1.00 0.00 O ATOM 266 CB ARG A 18 55.615 -5.238 1.592 1.00 0.00 C ATOM 267 CG ARG A 18 54.293 -5.944 1.280 1.00 0.00 C ATOM 268 CD ARG A 18 53.169 -4.910 1.205 1.00 0.00 C ATOM 269 NE ARG A 18 52.231 -5.107 2.346 1.00 0.00 N ATOM 270 CZ ARG A 18 51.258 -4.259 2.543 1.00 0.00 C ATOM 271 NH1 ARG A 18 50.719 -3.638 1.529 1.00 0.00 N ATOM 272 NH2 ARG A 18 50.826 -4.032 3.753 1.00 0.00 N ATOM 0 H ARG A 18 57.992 -4.171 1.443 1.00 0.00 H new ATOM 0 HA ARG A 18 56.508 -6.262 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.112 -5.729 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.426 -4.208 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.370 -6.483 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.072 -6.682 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.585 -3.903 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.634 -5.008 0.260 1.00 0.00 H new ATOM 0 HE ARG A 18 52.349 -5.903 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.058 -3.815 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.959 -2.975 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.248 -4.517 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.066 -3.370 3.907 1.00 0.00 H new ATOM 286 N GLU A 19 55.092 -4.675 -1.512 1.00 0.00 N ATOM 287 CA GLU A 19 54.529 -3.750 -2.535 1.00 0.00 C ATOM 288 C GLU A 19 53.018 -3.971 -2.626 1.00 0.00 C ATOM 289 O GLU A 19 52.519 -5.030 -2.301 1.00 0.00 O ATOM 290 CB GLU A 19 55.174 -4.034 -3.894 1.00 0.00 C ATOM 291 CG GLU A 19 54.830 -5.458 -4.336 1.00 0.00 C ATOM 292 CD GLU A 19 55.608 -5.800 -5.609 1.00 0.00 C ATOM 293 OE1 GLU A 19 55.880 -4.891 -6.376 1.00 0.00 O ATOM 294 OE2 GLU A 19 55.921 -6.964 -5.794 1.00 0.00 O ATOM 0 H GLU A 19 54.716 -5.623 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 19 54.734 -2.717 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.819 -3.317 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 19 56.255 -3.914 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.078 -6.165 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 19 53.759 -5.545 -4.517 1.00 0.00 H new ATOM 301 N VAL A 20 52.280 -2.985 -3.058 1.00 0.00 N ATOM 302 CA VAL A 20 50.801 -3.154 -3.156 1.00 0.00 C ATOM 303 C VAL A 20 50.336 -2.823 -4.576 1.00 0.00 C ATOM 304 O VAL A 20 51.127 -2.494 -5.437 1.00 0.00 O ATOM 305 CB VAL A 20 50.108 -2.217 -2.161 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.797 -2.851 -1.694 1.00 0.00 C ATOM 307 CG2 VAL A 20 51.017 -1.985 -0.951 1.00 0.00 C ATOM 0 H VAL A 20 52.635 -2.073 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 20 50.543 -4.187 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 20 49.902 -1.264 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.303 -2.186 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.146 -3.015 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 20 49.006 -3.805 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.521 -1.318 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.225 -2.938 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.953 -1.533 -1.280 1.00 0.00 H new ATOM 478 N ASP A 32 51.408 1.438 -3.840 1.00 0.00 N ATOM 479 CA ASP A 32 52.119 1.895 -2.613 1.00 0.00 C ATOM 480 C ASP A 32 53.179 0.860 -2.229 1.00 0.00 C ATOM 481 O ASP A 32 53.126 -0.279 -2.650 1.00 0.00 O ATOM 482 CB ASP A 32 51.111 2.047 -1.471 1.00 0.00 C ATOM 483 CG ASP A 32 49.990 2.994 -1.903 1.00 0.00 C ATOM 484 OD1 ASP A 32 50.222 4.192 -1.909 1.00 0.00 O ATOM 485 OD2 ASP A 32 48.918 2.506 -2.221 1.00 0.00 O ATOM 0 HA ASP A 32 52.600 2.855 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.697 1.074 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 32 51.608 2.436 -0.582 1.00 0.00 H new ATOM 490 N THR A 33 54.146 1.242 -1.438 1.00 0.00 N ATOM 491 CA THR A 33 55.205 0.270 -1.041 1.00 0.00 C ATOM 492 C THR A 33 55.529 0.429 0.447 1.00 0.00 C ATOM 493 O THR A 33 55.700 1.525 0.944 1.00 0.00 O ATOM 494 CB THR A 33 56.468 0.527 -1.867 1.00 0.00 C ATOM 495 OG1 THR A 33 56.167 0.370 -3.247 1.00 0.00 O ATOM 496 CG2 THR A 33 57.556 -0.470 -1.464 1.00 0.00 C ATOM 0 H THR A 33 54.248 2.180 -1.051 1.00 0.00 H new ATOM 0 HA THR A 33 54.847 -0.743 -1.223 1.00 0.00 H new ATOM 0 HB THR A 33 56.823 1.541 -1.684 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.966 0.061 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.455 -0.286 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.785 -0.350 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 33 57.205 -1.486 -1.646 1.00 0.00 H new ATOM 504 N TYR A 34 55.623 -0.663 1.159 1.00 0.00 N ATOM 505 CA TYR A 34 55.945 -0.587 2.614 1.00 0.00 C ATOM 506 C TYR A 34 56.988 -1.655 2.952 1.00 0.00 C ATOM 507 O TYR A 34 57.088 -2.666 2.285 1.00 0.00 O ATOM 508 CB TYR A 34 54.676 -0.839 3.433 1.00 0.00 C ATOM 509 CG TYR A 34 53.554 0.025 2.908 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.734 1.408 2.789 1.00 0.00 C ATOM 511 CD2 TYR A 34 52.334 -0.556 2.543 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.695 2.210 2.303 1.00 0.00 C ATOM 513 CE2 TYR A 34 51.294 0.246 2.057 1.00 0.00 C ATOM 514 CZ TYR A 34 51.475 1.629 1.937 1.00 0.00 C ATOM 515 OH TYR A 34 50.450 2.420 1.458 1.00 0.00 O ATOM 0 H TYR A 34 55.490 -1.606 0.794 1.00 0.00 H new ATOM 0 HA TYR A 34 56.338 0.402 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.396 -1.891 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 34 54.859 -0.616 4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 34 54.675 1.856 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.195 -1.623 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.834 3.277 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 34 50.353 -0.202 1.775 1.00 0.00 H new ATOM 0 HH TYR A 34 49.674 1.859 1.250 1.00 0.00 H new ATOM 525 N TYR A 35 57.769 -1.446 3.978 1.00 0.00 N ATOM 526 CA TYR A 35 58.801 -2.461 4.339 1.00 0.00 C ATOM 527 C TYR A 35 58.563 -2.955 5.768 1.00 0.00 C ATOM 528 O TYR A 35 57.885 -2.319 6.551 1.00 0.00 O ATOM 529 CB TYR A 35 60.191 -1.832 4.248 1.00 0.00 C ATOM 530 CG TYR A 35 60.463 -1.415 2.823 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.796 -0.313 2.277 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.383 -2.131 2.048 1.00 0.00 C ATOM 533 CE1 TYR A 35 60.048 0.074 0.957 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.636 -1.743 0.727 1.00 0.00 C ATOM 535 CZ TYR A 35 60.968 -0.641 0.181 1.00 0.00 C ATOM 536 OH TYR A 35 61.217 -0.258 -1.121 1.00 0.00 O ATOM 0 H TYR A 35 57.738 -0.622 4.578 1.00 0.00 H new ATOM 0 HA TYR A 35 58.733 -3.301 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.255 -0.968 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 35 60.946 -2.544 4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.086 0.239 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.897 -2.982 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.533 0.925 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 35 62.347 -2.294 0.129 1.00 0.00 H new ATOM 0 HH TYR A 35 62.095 0.175 -1.173 1.00 0.00 H new ATOM 546 N GLN A 36 59.121 -4.083 6.115 1.00 0.00 N ATOM 547 CA GLN A 36 58.934 -4.617 7.494 1.00 0.00 C ATOM 548 C GLN A 36 60.300 -4.940 8.100 1.00 0.00 C ATOM 549 O GLN A 36 61.010 -5.809 7.631 1.00 0.00 O ATOM 550 CB GLN A 36 58.082 -5.887 7.442 1.00 0.00 C ATOM 551 CG GLN A 36 58.055 -6.541 8.826 1.00 0.00 C ATOM 552 CD GLN A 36 56.605 -6.731 9.274 1.00 0.00 C ATOM 553 OE1 GLN A 36 56.201 -6.215 10.298 1.00 0.00 O ATOM 554 NE2 GLN A 36 55.799 -7.455 8.547 1.00 0.00 N ATOM 0 H GLN A 36 59.699 -4.658 5.502 1.00 0.00 H new ATOM 0 HA GLN A 36 58.429 -3.871 8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 57.068 -5.645 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 58.490 -6.582 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 58.566 -7.503 8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 36 58.590 -5.919 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 36 56.137 -7.888 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 36 54.830 -7.588 8.838 1.00 0.00 H new ATOM 563 N SER A 37 60.674 -4.245 9.139 1.00 0.00 N ATOM 564 CA SER A 37 61.994 -4.509 9.777 1.00 0.00 C ATOM 565 C SER A 37 62.102 -6.000 10.116 1.00 0.00 C ATOM 566 O SER A 37 61.164 -6.746 9.922 1.00 0.00 O ATOM 567 CB SER A 37 62.115 -3.679 11.057 1.00 0.00 C ATOM 568 OG SER A 37 61.899 -4.516 12.187 1.00 0.00 O ATOM 0 H SER A 37 60.122 -3.505 9.574 1.00 0.00 H new ATOM 0 HA SER A 37 62.796 -4.233 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 37 63.102 -3.221 11.114 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.387 -2.868 11.047 1.00 0.00 H new ATOM 0 HG SER A 37 62.677 -4.472 12.781 1.00 0.00 H new ATOM 574 N PRO A 38 63.247 -6.386 10.618 1.00 0.00 N ATOM 575 CA PRO A 38 63.511 -7.784 11.001 1.00 0.00 C ATOM 576 C PRO A 38 62.844 -8.101 12.342 1.00 0.00 C ATOM 577 O PRO A 38 62.796 -9.237 12.771 1.00 0.00 O ATOM 578 CB PRO A 38 65.036 -7.841 11.121 1.00 0.00 C ATOM 579 CG PRO A 38 65.510 -6.388 11.359 1.00 0.00 C ATOM 580 CD PRO A 38 64.382 -5.469 10.852 1.00 0.00 C ATOM 0 HA PRO A 38 63.119 -8.508 10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 38 65.337 -8.488 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.482 -8.251 10.215 1.00 0.00 H new ATOM 0 HG2 PRO A 38 65.707 -6.213 12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.440 -6.191 10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.131 -4.704 11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 38 64.671 -4.951 9.938 1.00 0.00 H new ATOM 588 N THR A 39 62.327 -7.103 13.008 1.00 0.00 N ATOM 589 CA THR A 39 61.663 -7.346 14.319 1.00 0.00 C ATOM 590 C THR A 39 60.154 -7.133 14.176 1.00 0.00 C ATOM 591 O THR A 39 59.377 -7.547 15.014 1.00 0.00 O ATOM 592 CB THR A 39 62.223 -6.373 15.360 1.00 0.00 C ATOM 593 OG1 THR A 39 61.693 -6.694 16.639 1.00 0.00 O ATOM 594 CG2 THR A 39 61.832 -4.942 14.988 1.00 0.00 C ATOM 0 H THR A 39 62.336 -6.131 12.700 1.00 0.00 H new ATOM 0 HA THR A 39 61.853 -8.370 14.640 1.00 0.00 H new ATOM 0 HB THR A 39 63.310 -6.454 15.385 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.052 -6.073 17.307 1.00 0.00 H new ATOM 0 HG21 THR A 39 62.232 -4.251 15.730 1.00 0.00 H new ATOM 0 HG22 THR A 39 62.240 -4.697 14.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 60.746 -4.857 14.961 1.00 0.00 H new ATOM 602 N GLY A 40 59.730 -6.492 13.120 1.00 0.00 N ATOM 603 CA GLY A 40 58.270 -6.256 12.924 1.00 0.00 C ATOM 604 C GLY A 40 58.000 -4.753 12.831 1.00 0.00 C ATOM 605 O GLY A 40 56.893 -4.298 13.039 1.00 0.00 O ATOM 0 H GLY A 40 60.332 -6.121 12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 57.930 -6.754 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 40 57.708 -6.686 13.753 1.00 0.00 H new ATOM 609 N ASP A 41 59.001 -3.978 12.518 1.00 0.00 N ATOM 610 CA ASP A 41 58.798 -2.508 12.410 1.00 0.00 C ATOM 611 C ASP A 41 58.399 -2.158 10.975 1.00 0.00 C ATOM 612 O ASP A 41 59.227 -2.100 10.088 1.00 0.00 O ATOM 613 CB ASP A 41 60.097 -1.785 12.773 1.00 0.00 C ATOM 614 CG ASP A 41 59.813 -0.724 13.839 1.00 0.00 C ATOM 615 OD1 ASP A 41 59.490 0.391 13.465 1.00 0.00 O ATOM 616 OD2 ASP A 41 59.924 -1.046 15.010 1.00 0.00 O ATOM 0 H ASP A 41 59.951 -4.300 12.332 1.00 0.00 H new ATOM 0 HA ASP A 41 58.009 -2.196 13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.832 -2.500 13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.526 -1.318 11.886 1.00 0.00 H new ATOM 621 N ARG A 42 57.139 -1.921 10.741 1.00 0.00 N ATOM 622 CA ARG A 42 56.691 -1.572 9.364 1.00 0.00 C ATOM 623 C ARG A 42 57.000 -0.098 9.103 1.00 0.00 C ATOM 624 O ARG A 42 56.624 0.767 9.867 1.00 0.00 O ATOM 625 CB ARG A 42 55.185 -1.814 9.241 1.00 0.00 C ATOM 626 CG ARG A 42 54.938 -3.167 8.572 1.00 0.00 C ATOM 627 CD ARG A 42 53.738 -3.852 9.228 1.00 0.00 C ATOM 628 NE ARG A 42 52.543 -3.708 8.350 1.00 0.00 N ATOM 629 CZ ARG A 42 51.786 -2.648 8.445 1.00 0.00 C ATOM 630 NH1 ARG A 42 51.213 -2.356 9.581 1.00 0.00 N ATOM 631 NH2 ARG A 42 51.604 -1.881 7.406 1.00 0.00 N ATOM 0 H ARG A 42 56.400 -1.954 11.443 1.00 0.00 H new ATOM 0 HA ARG A 42 57.212 -2.192 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 42 54.721 -1.794 10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 42 54.725 -1.018 8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 42 54.753 -3.029 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 42 55.823 -3.796 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.955 -4.907 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.541 -3.408 10.204 1.00 0.00 H new ATOM 0 HE ARG A 42 52.316 -4.438 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.357 -2.956 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 42 50.622 -1.528 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.053 -2.109 6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.013 -1.053 7.480 1.00 0.00 H new ATOM 645 N ILE A 43 57.697 0.197 8.039 1.00 0.00 N ATOM 646 CA ILE A 43 58.040 1.618 7.753 1.00 0.00 C ATOM 647 C ILE A 43 57.387 2.070 6.446 1.00 0.00 C ATOM 648 O ILE A 43 56.965 1.268 5.635 1.00 0.00 O ATOM 649 CB ILE A 43 59.557 1.774 7.629 1.00 0.00 C ATOM 650 CG1 ILE A 43 60.267 0.679 8.433 1.00 0.00 C ATOM 651 CG2 ILE A 43 59.965 3.146 8.165 1.00 0.00 C ATOM 652 CD1 ILE A 43 60.108 0.953 9.928 1.00 0.00 C ATOM 0 H ILE A 43 58.042 -0.481 7.359 1.00 0.00 H new ATOM 0 HA ILE A 43 57.671 2.232 8.574 1.00 0.00 H new ATOM 0 HB ILE A 43 59.843 1.685 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 43 59.848 -0.297 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 43 61.324 0.648 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 43 61.045 3.263 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 43 59.468 3.925 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 43 59.673 3.229 9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 43 60.614 0.173 10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 43 60.548 1.921 10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 43 59.049 0.961 10.186 1.00 0.00 H new ATOM 664 N ARG A 44 57.302 3.357 6.242 1.00 0.00 N ATOM 665 CA ARG A 44 56.678 3.883 4.995 1.00 0.00 C ATOM 666 C ARG A 44 57.579 4.955 4.366 1.00 0.00 C ATOM 667 O ARG A 44 57.490 5.234 3.187 1.00 0.00 O ATOM 668 CB ARG A 44 55.320 4.494 5.338 1.00 0.00 C ATOM 669 CG ARG A 44 54.631 3.621 6.388 1.00 0.00 C ATOM 670 CD ARG A 44 53.124 3.592 6.125 1.00 0.00 C ATOM 671 NE ARG A 44 52.394 3.912 7.384 1.00 0.00 N ATOM 672 CZ ARG A 44 52.612 5.043 7.998 1.00 0.00 C ATOM 673 NH1 ARG A 44 53.309 5.980 7.416 1.00 0.00 N ATOM 674 NH2 ARG A 44 52.129 5.239 9.195 1.00 0.00 N ATOM 0 H ARG A 44 57.640 4.070 6.889 1.00 0.00 H new ATOM 0 HA ARG A 44 56.550 3.068 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 44 55.448 5.508 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 44 54.702 4.564 4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 44 55.035 2.609 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 44 54.828 4.012 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 44 52.866 4.312 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 44 52.827 2.609 5.759 1.00 0.00 H new ATOM 0 HE ARG A 44 51.723 3.246 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 44 53.684 5.829 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 44 53.478 6.863 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 44 51.582 4.508 9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 44 52.299 6.123 9.675 1.00 0.00 H new ATOM 688 N SER A 45 58.447 5.559 5.135 1.00 0.00 N ATOM 689 CA SER A 45 59.343 6.604 4.563 1.00 0.00 C ATOM 690 C SER A 45 60.720 5.992 4.284 1.00 0.00 C ATOM 691 O SER A 45 61.390 5.510 5.176 1.00 0.00 O ATOM 692 CB SER A 45 59.481 7.759 5.555 1.00 0.00 C ATOM 693 OG SER A 45 58.676 7.496 6.697 1.00 0.00 O ATOM 0 H SER A 45 58.573 5.374 6.130 1.00 0.00 H new ATOM 0 HA SER A 45 58.919 6.981 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 45 60.524 7.877 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 45 59.174 8.694 5.087 1.00 0.00 H new ATOM 0 HG SER A 45 58.759 8.236 7.334 1.00 0.00 H new ATOM 699 N LYS A 46 61.139 6.000 3.047 1.00 0.00 N ATOM 700 CA LYS A 46 62.465 5.411 2.693 1.00 0.00 C ATOM 701 C LYS A 46 63.543 5.894 3.666 1.00 0.00 C ATOM 702 O LYS A 46 64.332 5.114 4.161 1.00 0.00 O ATOM 703 CB LYS A 46 62.841 5.826 1.269 1.00 0.00 C ATOM 704 CG LYS A 46 62.876 7.351 1.173 1.00 0.00 C ATOM 705 CD LYS A 46 62.571 7.777 -0.265 1.00 0.00 C ATOM 706 CE LYS A 46 63.737 8.601 -0.812 1.00 0.00 C ATOM 707 NZ LYS A 46 63.583 10.021 -0.389 1.00 0.00 N ATOM 0 H LYS A 46 60.618 6.391 2.262 1.00 0.00 H new ATOM 0 HA LYS A 46 62.396 4.325 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 46 63.814 5.412 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 62.119 5.423 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 46 62.146 7.786 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.855 7.723 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.409 6.898 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 46 61.652 8.363 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 46 64.682 8.202 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.764 8.535 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 64.376 10.582 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.688 10.399 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 63.578 10.075 0.650 1.00 0.00 H new ATOM 721 N VAL A 47 63.595 7.167 3.947 1.00 0.00 N ATOM 722 CA VAL A 47 64.636 7.665 4.889 1.00 0.00 C ATOM 723 C VAL A 47 64.250 7.281 6.319 1.00 0.00 C ATOM 724 O VAL A 47 65.078 6.870 7.105 1.00 0.00 O ATOM 725 CB VAL A 47 64.754 9.187 4.783 1.00 0.00 C ATOM 726 CG1 VAL A 47 65.677 9.701 5.889 1.00 0.00 C ATOM 727 CG2 VAL A 47 65.340 9.562 3.417 1.00 0.00 C ATOM 0 H VAL A 47 62.968 7.878 3.569 1.00 0.00 H new ATOM 0 HA VAL A 47 65.596 7.216 4.633 1.00 0.00 H new ATOM 0 HB VAL A 47 63.767 9.637 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 47 65.763 10.785 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 47 65.263 9.434 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 47 66.663 9.250 5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 47 65.424 10.646 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 47 66.328 9.113 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 47 64.686 9.193 2.627 1.00 0.00 H new ATOM 737 N GLU A 48 62.998 7.410 6.662 1.00 0.00 N ATOM 738 CA GLU A 48 62.566 7.049 8.042 1.00 0.00 C ATOM 739 C GLU A 48 63.123 5.672 8.406 1.00 0.00 C ATOM 740 O GLU A 48 63.720 5.492 9.449 1.00 0.00 O ATOM 741 CB GLU A 48 61.038 7.018 8.115 1.00 0.00 C ATOM 742 CG GLU A 48 60.603 6.863 9.573 1.00 0.00 C ATOM 743 CD GLU A 48 59.118 7.212 9.702 1.00 0.00 C ATOM 744 OE1 GLU A 48 58.737 8.273 9.237 1.00 0.00 O ATOM 745 OE2 GLU A 48 58.389 6.412 10.264 1.00 0.00 O ATOM 0 H GLU A 48 62.257 7.749 6.048 1.00 0.00 H new ATOM 0 HA GLU A 48 62.944 7.793 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.624 7.935 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 48 60.651 6.192 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.778 5.841 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 61.198 7.515 10.213 1.00 0.00 H new ATOM 752 N LEU A 49 62.943 4.695 7.558 1.00 0.00 N ATOM 753 CA LEU A 49 63.480 3.345 7.880 1.00 0.00 C ATOM 754 C LEU A 49 65.001 3.374 7.734 1.00 0.00 C ATOM 755 O LEU A 49 65.717 2.737 8.478 1.00 0.00 O ATOM 756 CB LEU A 49 62.878 2.291 6.942 1.00 0.00 C ATOM 757 CG LEU A 49 63.158 2.650 5.487 1.00 0.00 C ATOM 758 CD1 LEU A 49 64.127 1.625 4.892 1.00 0.00 C ATOM 759 CD2 LEU A 49 61.844 2.623 4.706 1.00 0.00 C ATOM 0 H LEU A 49 62.453 4.773 6.667 1.00 0.00 H new ATOM 0 HA LEU A 49 63.212 3.080 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 49 63.298 1.311 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 49 61.803 2.222 7.105 1.00 0.00 H new ATOM 0 HG LEU A 49 63.600 3.645 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 49 64.330 1.878 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 49 65.059 1.635 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.682 0.631 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 49 62.035 2.879 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 49 61.409 1.625 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 49 61.150 3.346 5.136 1.00 0.00 H new ATOM 771 N THR A 50 65.506 4.125 6.793 1.00 0.00 N ATOM 772 CA THR A 50 66.984 4.199 6.627 1.00 0.00 C ATOM 773 C THR A 50 67.603 4.607 7.971 1.00 0.00 C ATOM 774 O THR A 50 68.464 3.933 8.500 1.00 0.00 O ATOM 775 CB THR A 50 67.325 5.216 5.515 1.00 0.00 C ATOM 776 OG1 THR A 50 68.162 4.589 4.556 1.00 0.00 O ATOM 777 CG2 THR A 50 68.047 6.449 6.076 1.00 0.00 C ATOM 0 H THR A 50 64.963 4.686 6.137 1.00 0.00 H new ATOM 0 HA THR A 50 67.391 3.232 6.331 1.00 0.00 H new ATOM 0 HB THR A 50 66.391 5.546 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 50 68.699 3.896 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 50 68.270 7.141 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 50 67.408 6.943 6.808 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.976 6.140 6.555 1.00 0.00 H new ATOM 785 N ARG A 51 67.160 5.703 8.528 1.00 0.00 N ATOM 786 CA ARG A 51 67.715 6.145 9.840 1.00 0.00 C ATOM 787 C ARG A 51 67.282 5.153 10.922 1.00 0.00 C ATOM 788 O ARG A 51 67.844 5.109 11.999 1.00 0.00 O ATOM 789 CB ARG A 51 67.211 7.555 10.189 1.00 0.00 C ATOM 790 CG ARG A 51 65.779 7.753 9.682 1.00 0.00 C ATOM 791 CD ARG A 51 64.947 8.453 10.759 1.00 0.00 C ATOM 792 NE ARG A 51 64.132 9.536 10.138 1.00 0.00 N ATOM 793 CZ ARG A 51 64.647 10.723 9.967 1.00 0.00 C ATOM 794 NH1 ARG A 51 65.408 11.244 10.889 1.00 0.00 N ATOM 795 NH2 ARG A 51 64.400 11.392 8.873 1.00 0.00 N ATOM 0 H ARG A 51 66.441 6.309 8.133 1.00 0.00 H new ATOM 0 HA ARG A 51 68.803 6.175 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 51 67.245 7.703 11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 51 67.867 8.303 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 51 65.785 8.348 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 51 65.334 6.790 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 51 64.296 7.733 11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 51 65.602 8.870 11.524 1.00 0.00 H new ATOM 0 HE ARG A 51 63.172 9.349 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 51 65.601 10.724 11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 51 65.810 12.172 10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 51 63.804 10.987 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 51 64.803 12.320 8.740 1.00 0.00 H new ATOM 809 N TYR A 52 66.292 4.346 10.639 1.00 0.00 N ATOM 810 CA TYR A 52 65.829 3.346 11.644 1.00 0.00 C ATOM 811 C TYR A 52 66.883 2.243 11.774 1.00 0.00 C ATOM 812 O TYR A 52 67.386 1.976 12.848 1.00 0.00 O ATOM 813 CB TYR A 52 64.501 2.737 11.184 1.00 0.00 C ATOM 814 CG TYR A 52 64.082 1.639 12.133 1.00 0.00 C ATOM 815 CD1 TYR A 52 64.040 1.878 13.511 1.00 0.00 C ATOM 816 CD2 TYR A 52 63.729 0.382 11.629 1.00 0.00 C ATOM 817 CE1 TYR A 52 63.645 0.859 14.386 1.00 0.00 C ATOM 818 CE2 TYR A 52 63.332 -0.637 12.504 1.00 0.00 C ATOM 819 CZ TYR A 52 63.291 -0.398 13.882 1.00 0.00 C ATOM 820 OH TYR A 52 62.899 -1.402 14.745 1.00 0.00 O ATOM 0 H TYR A 52 65.785 4.337 9.754 1.00 0.00 H new ATOM 0 HA TYR A 52 65.686 3.832 12.609 1.00 0.00 H new ATOM 0 HB2 TYR A 52 63.732 3.508 11.144 1.00 0.00 H new ATOM 0 HB3 TYR A 52 64.604 2.338 10.175 1.00 0.00 H new ATOM 0 HD1 TYR A 52 64.312 2.848 13.900 1.00 0.00 H new ATOM 0 HD2 TYR A 52 63.763 0.198 10.565 1.00 0.00 H new ATOM 0 HE1 TYR A 52 63.613 1.043 15.450 1.00 0.00 H new ATOM 0 HE2 TYR A 52 63.058 -1.607 12.115 1.00 0.00 H new ATOM 0 HH TYR A 52 61.962 -1.268 14.999 1.00 0.00 H new ATOM 830 N LEU A 53 67.229 1.605 10.687 1.00 0.00 N ATOM 831 CA LEU A 53 68.259 0.529 10.756 1.00 0.00 C ATOM 832 C LEU A 53 69.606 1.153 11.114 1.00 0.00 C ATOM 833 O LEU A 53 70.304 0.694 11.997 1.00 0.00 O ATOM 834 CB LEU A 53 68.384 -0.168 9.399 1.00 0.00 C ATOM 835 CG LEU A 53 67.015 -0.254 8.725 1.00 0.00 C ATOM 836 CD1 LEU A 53 66.968 0.716 7.543 1.00 0.00 C ATOM 837 CD2 LEU A 53 66.793 -1.679 8.217 1.00 0.00 C ATOM 0 H LEU A 53 66.845 1.782 9.759 1.00 0.00 H new ATOM 0 HA LEU A 53 67.964 -0.200 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.078 0.381 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 68.796 -1.168 9.532 1.00 0.00 H new ATOM 0 HG LEU A 53 66.237 0.007 9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 65.992 0.656 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 53 67.134 1.732 7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 53 67.744 0.452 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 53 65.818 -1.746 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 53 67.571 -1.934 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 53 66.832 -2.374 9.055 1.00 0.00 H new ATOM 849 N GLY A 54 69.977 2.198 10.428 1.00 0.00 N ATOM 850 CA GLY A 54 71.279 2.860 10.713 1.00 0.00 C ATOM 851 C GLY A 54 71.950 3.239 9.391 1.00 0.00 C ATOM 852 O GLY A 54 71.283 3.440 8.396 1.00 0.00 O ATOM 0 H GLY A 54 69.431 2.623 9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 54 71.123 3.749 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 54 71.924 2.191 11.283 1.00 0.00 H new ATOM 856 N PRO A 55 73.254 3.326 9.419 1.00 0.00 N ATOM 857 CA PRO A 55 74.050 3.680 8.232 1.00 0.00 C ATOM 858 C PRO A 55 74.183 2.470 7.301 1.00 0.00 C ATOM 859 O PRO A 55 74.349 2.609 6.106 1.00 0.00 O ATOM 860 CB PRO A 55 75.409 4.074 8.816 1.00 0.00 C ATOM 861 CG PRO A 55 75.501 3.392 10.202 1.00 0.00 C ATOM 862 CD PRO A 55 74.056 3.078 10.635 1.00 0.00 C ATOM 0 HA PRO A 55 73.603 4.475 7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.221 3.746 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.493 5.157 8.909 1.00 0.00 H new ATOM 0 HG2 PRO A 55 76.096 2.480 10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.988 4.047 10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 55 73.957 2.047 10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 55 73.739 3.717 11.459 1.00 0.00 H new ATOM 870 N ALA A 56 74.110 1.285 7.843 1.00 0.00 N ATOM 871 CA ALA A 56 74.229 0.067 6.993 1.00 0.00 C ATOM 872 C ALA A 56 73.119 0.073 5.940 1.00 0.00 C ATOM 873 O ALA A 56 73.260 -0.488 4.872 1.00 0.00 O ATOM 874 CB ALA A 56 74.097 -1.181 7.870 1.00 0.00 C ATOM 0 H ALA A 56 73.973 1.108 8.838 1.00 0.00 H new ATOM 0 HA ALA A 56 75.200 0.060 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 56 74.184 -2.073 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 56 74.887 -1.183 8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 56 73.126 -1.177 8.365 1.00 0.00 H new ATOM 880 N CYS A 57 72.015 0.705 6.233 1.00 0.00 N ATOM 881 CA CYS A 57 70.896 0.749 5.251 1.00 0.00 C ATOM 882 C CYS A 57 70.579 2.207 4.910 1.00 0.00 C ATOM 883 O CYS A 57 69.976 2.919 5.688 1.00 0.00 O ATOM 884 CB CYS A 57 69.659 0.085 5.860 1.00 0.00 C ATOM 885 SG CYS A 57 69.733 -1.702 5.580 1.00 0.00 S ATOM 0 H CYS A 57 71.840 1.193 7.111 1.00 0.00 H new ATOM 0 HA CYS A 57 71.183 0.217 4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 57 69.610 0.295 6.929 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.755 0.497 5.412 1.00 0.00 H new ATOM 0 HG CYS A 57 68.526 -2.178 5.491 1.00 0.00 H new ATOM 891 N ASP A 58 70.982 2.656 3.753 1.00 0.00 N ATOM 892 CA ASP A 58 70.705 4.068 3.365 1.00 0.00 C ATOM 893 C ASP A 58 69.503 4.109 2.422 1.00 0.00 C ATOM 894 O ASP A 58 69.161 3.127 1.793 1.00 0.00 O ATOM 895 CB ASP A 58 71.927 4.652 2.655 1.00 0.00 C ATOM 896 CG ASP A 58 73.202 4.092 3.288 1.00 0.00 C ATOM 897 OD1 ASP A 58 73.393 2.890 3.221 1.00 0.00 O ATOM 898 OD2 ASP A 58 73.965 4.876 3.828 1.00 0.00 O ATOM 0 H ASP A 58 71.491 2.107 3.060 1.00 0.00 H new ATOM 0 HA ASP A 58 70.489 4.654 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 71.897 4.405 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 58 71.919 5.739 2.730 1.00 0.00 H new ATOM 903 N LEU A 59 68.857 5.238 2.317 1.00 0.00 N ATOM 904 CA LEU A 59 67.681 5.335 1.413 1.00 0.00 C ATOM 905 C LEU A 59 67.539 6.773 0.917 1.00 0.00 C ATOM 906 O LEU A 59 66.489 7.187 0.467 1.00 0.00 O ATOM 907 CB LEU A 59 66.416 4.929 2.172 1.00 0.00 C ATOM 908 CG LEU A 59 66.265 3.407 2.133 1.00 0.00 C ATOM 909 CD1 LEU A 59 66.653 2.816 3.490 1.00 0.00 C ATOM 910 CD2 LEU A 59 64.811 3.048 1.822 1.00 0.00 C ATOM 0 H LEU A 59 69.094 6.095 2.818 1.00 0.00 H new ATOM 0 HA LEU A 59 67.821 4.668 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 66.472 5.273 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.543 5.404 1.725 1.00 0.00 H new ATOM 0 HG LEU A 59 66.917 3.000 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.544 1.732 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 67.689 3.071 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 66.003 3.224 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.702 1.964 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.162 3.458 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.532 3.466 0.855 1.00 0.00 H new ATOM 922 N THR A 60 68.590 7.538 0.996 1.00 0.00 N ATOM 923 CA THR A 60 68.524 8.949 0.532 1.00 0.00 C ATOM 924 C THR A 60 67.919 9.003 -0.873 1.00 0.00 C ATOM 925 O THR A 60 67.138 9.878 -1.190 1.00 0.00 O ATOM 926 CB THR A 60 69.938 9.532 0.503 1.00 0.00 C ATOM 927 OG1 THR A 60 70.560 9.323 1.764 1.00 0.00 O ATOM 928 CG2 THR A 60 69.867 11.029 0.209 1.00 0.00 C ATOM 0 H THR A 60 69.495 7.245 1.364 1.00 0.00 H new ATOM 0 HA THR A 60 67.900 9.529 1.212 1.00 0.00 H new ATOM 0 HB THR A 60 70.520 9.039 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 60 71.467 9.694 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 60 70.875 11.444 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 60 69.389 11.188 -0.758 1.00 0.00 H new ATOM 0 HG23 THR A 60 69.286 11.525 0.986 1.00 0.00 H new ATOM 936 N LEU A 61 68.281 8.079 -1.720 1.00 0.00 N ATOM 937 CA LEU A 61 67.735 8.079 -3.107 1.00 0.00 C ATOM 938 C LEU A 61 66.817 6.871 -3.305 1.00 0.00 C ATOM 939 O LEU A 61 66.302 6.642 -4.381 1.00 0.00 O ATOM 940 CB LEU A 61 68.900 8.001 -4.097 1.00 0.00 C ATOM 941 CG LEU A 61 69.554 9.381 -4.253 1.00 0.00 C ATOM 942 CD1 LEU A 61 68.757 10.207 -5.262 1.00 0.00 C ATOM 943 CD2 LEU A 61 69.581 10.111 -2.903 1.00 0.00 C ATOM 0 H LEU A 61 68.933 7.323 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 61 67.163 8.991 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 61 69.637 7.278 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 61 68.542 7.648 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 61 70.577 9.252 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 61 69.219 11.188 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 68.749 9.696 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 61 67.734 10.327 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 70.047 11.088 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 61 68.562 10.239 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 61 70.153 9.525 -2.184 1.00 0.00 H new ATOM 955 N PHE A 62 66.613 6.092 -2.279 1.00 0.00 N ATOM 956 CA PHE A 62 65.733 4.898 -2.414 1.00 0.00 C ATOM 957 C PHE A 62 64.384 5.306 -3.003 1.00 0.00 C ATOM 958 O PHE A 62 63.701 6.165 -2.482 1.00 0.00 O ATOM 959 CB PHE A 62 65.504 4.272 -1.039 1.00 0.00 C ATOM 960 CG PHE A 62 65.009 2.857 -1.203 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.799 2.607 -1.862 1.00 0.00 C ATOM 962 CD2 PHE A 62 65.762 1.794 -0.693 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.344 1.292 -2.011 1.00 0.00 C ATOM 964 CE2 PHE A 62 65.306 0.480 -0.842 1.00 0.00 C ATOM 965 CZ PHE A 62 64.098 0.228 -1.501 1.00 0.00 C ATOM 0 H PHE A 62 67.018 6.231 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 62 66.216 4.178 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 62 66.431 4.279 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 62 64.777 4.859 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 62 63.218 3.428 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 62 66.695 1.988 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 62 62.411 1.098 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 62 65.887 -0.341 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 62 63.747 -0.787 -1.616 1.00 0.00 H new ATOM 975 N ASP A 63 63.986 4.681 -4.076 1.00 0.00 N ATOM 976 CA ASP A 63 62.671 5.017 -4.683 1.00 0.00 C ATOM 977 C ASP A 63 61.589 4.213 -3.966 1.00 0.00 C ATOM 978 O ASP A 63 61.369 3.054 -4.256 1.00 0.00 O ATOM 979 CB ASP A 63 62.680 4.657 -6.170 1.00 0.00 C ATOM 980 CG ASP A 63 61.996 5.770 -6.965 1.00 0.00 C ATOM 981 OD1 ASP A 63 60.997 6.282 -6.489 1.00 0.00 O ATOM 982 OD2 ASP A 63 62.484 6.093 -8.035 1.00 0.00 O ATOM 0 H ASP A 63 64.515 3.953 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 63 62.475 6.084 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 63 63.705 4.524 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 63 62.164 3.710 -6.330 1.00 0.00 H new ATOM 987 N PHE A 64 60.922 4.814 -3.020 1.00 0.00 N ATOM 988 CA PHE A 64 59.865 4.079 -2.271 1.00 0.00 C ATOM 989 C PHE A 64 58.719 3.737 -3.226 1.00 0.00 C ATOM 990 O PHE A 64 57.628 4.262 -3.119 1.00 0.00 O ATOM 991 CB PHE A 64 59.346 4.963 -1.137 1.00 0.00 C ATOM 992 CG PHE A 64 59.167 4.128 0.109 1.00 0.00 C ATOM 993 CD1 PHE A 64 60.289 3.607 0.763 1.00 0.00 C ATOM 994 CD2 PHE A 64 57.885 3.882 0.614 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.131 2.840 1.922 1.00 0.00 C ATOM 996 CE2 PHE A 64 57.727 3.113 1.773 1.00 0.00 C ATOM 997 CZ PHE A 64 58.850 2.593 2.428 1.00 0.00 C ATOM 0 H PHE A 64 61.063 5.783 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 64 60.275 3.160 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 64 60.046 5.776 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 64 58.398 5.419 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 64 61.278 3.797 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 64 57.019 4.285 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 64 60.998 2.438 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 56.738 2.921 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 64 58.728 2.002 3.323 1.00 0.00 H new ATOM 1007 N LYS A 65 58.964 2.862 -4.162 1.00 0.00 N ATOM 1008 CA LYS A 65 57.903 2.480 -5.134 1.00 0.00 C ATOM 1009 C LYS A 65 58.505 1.545 -6.184 1.00 0.00 C ATOM 1010 O LYS A 65 57.905 0.564 -6.577 1.00 0.00 O ATOM 1011 CB LYS A 65 57.364 3.738 -5.819 1.00 0.00 C ATOM 1012 CG LYS A 65 55.877 3.899 -5.499 1.00 0.00 C ATOM 1013 CD LYS A 65 55.370 5.225 -6.071 1.00 0.00 C ATOM 1014 CE LYS A 65 55.848 5.378 -7.516 1.00 0.00 C ATOM 1015 NZ LYS A 65 55.289 6.633 -8.093 1.00 0.00 N ATOM 0 H LYS A 65 59.860 2.393 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 65 57.089 1.975 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 57.916 4.614 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 65 57.509 3.668 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 65 55.312 3.069 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 65 55.722 3.873 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 65 54.281 5.256 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 65 55.734 6.056 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 65 56.937 5.403 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 65 55.531 4.520 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 55.613 6.738 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 54.250 6.591 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 55.613 7.447 -7.533 1.00 0.00 H new ATOM 1029 N GLN A 66 59.694 1.840 -6.635 1.00 0.00 N ATOM 1030 CA GLN A 66 60.347 0.970 -7.653 1.00 0.00 C ATOM 1031 C GLN A 66 61.231 -0.057 -6.941 1.00 0.00 C ATOM 1032 O GLN A 66 61.293 -1.209 -7.322 1.00 0.00 O ATOM 1033 CB GLN A 66 61.209 1.832 -8.579 1.00 0.00 C ATOM 1034 CG GLN A 66 61.105 1.312 -10.015 1.00 0.00 C ATOM 1035 CD GLN A 66 61.893 2.234 -10.949 1.00 0.00 C ATOM 1036 OE1 GLN A 66 61.465 3.335 -11.238 1.00 0.00 O ATOM 1037 NE2 GLN A 66 63.033 1.829 -11.439 1.00 0.00 N ATOM 0 H GLN A 66 60.242 2.648 -6.341 1.00 0.00 H new ATOM 0 HA GLN A 66 59.587 0.455 -8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 66 60.881 2.871 -8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 66 62.248 1.811 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 66 61.496 0.296 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 66 60.060 1.271 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 66 63.393 0.906 -11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 66 63.564 2.436 -12.064 1.00 0.00 H new ATOM 1046 N GLY A 67 61.915 0.352 -5.905 1.00 0.00 N ATOM 1047 CA GLY A 67 62.793 -0.597 -5.164 1.00 0.00 C ATOM 1048 C GLY A 67 64.245 -0.407 -5.606 1.00 0.00 C ATOM 1049 O GLY A 67 65.012 -1.347 -5.668 1.00 0.00 O ATOM 0 H GLY A 67 61.903 1.305 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 62.704 -0.428 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 67 62.477 -1.623 -5.352 1.00 0.00 H new ATOM 1053 N ILE A 68 64.632 0.800 -5.920 1.00 0.00 N ATOM 1054 CA ILE A 68 66.036 1.036 -6.362 1.00 0.00 C ATOM 1055 C ILE A 68 66.560 2.347 -5.769 1.00 0.00 C ATOM 1056 O ILE A 68 65.813 3.273 -5.524 1.00 0.00 O ATOM 1057 CB ILE A 68 66.076 1.120 -7.888 1.00 0.00 C ATOM 1058 CG1 ILE A 68 65.030 2.128 -8.369 1.00 0.00 C ATOM 1059 CG2 ILE A 68 65.768 -0.255 -8.482 1.00 0.00 C ATOM 1060 CD1 ILE A 68 65.732 3.342 -8.981 1.00 0.00 C ATOM 0 H ILE A 68 64.039 1.630 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 68 66.663 0.213 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 68 67.067 1.441 -8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 68 64.375 1.664 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 68 64.401 2.441 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 68 65.796 -0.196 -9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 68 66.511 -0.975 -8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 68 64.777 -0.576 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 68 64.986 4.059 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 68 66.369 3.811 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 68 66.342 3.022 -9.826 1.00 0.00 H new ATOM 1072 N LEU A 69 67.845 2.435 -5.551 1.00 0.00 N ATOM 1073 CA LEU A 69 68.427 3.687 -4.990 1.00 0.00 C ATOM 1074 C LEU A 69 69.750 3.987 -5.697 1.00 0.00 C ATOM 1075 O LEU A 69 70.353 3.118 -6.296 1.00 0.00 O ATOM 1076 CB LEU A 69 68.672 3.523 -3.486 1.00 0.00 C ATOM 1077 CG LEU A 69 69.789 2.503 -3.243 1.00 0.00 C ATOM 1078 CD1 LEU A 69 70.585 2.905 -2.000 1.00 0.00 C ATOM 1079 CD2 LEU A 69 69.172 1.122 -3.021 1.00 0.00 C ATOM 0 H LEU A 69 68.518 1.691 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 69 67.731 4.511 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 69 68.944 4.483 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 67.756 3.195 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 69 70.452 2.476 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.380 2.180 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 69 71.021 3.892 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 69 69.922 2.930 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 69.964 0.393 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 69 68.512 1.154 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.600 0.833 -3.903 1.00 0.00 H new ATOM 1091 N CYS A 70 70.209 5.205 -5.634 1.00 0.00 N ATOM 1092 CA CYS A 70 71.494 5.549 -6.306 1.00 0.00 C ATOM 1093 C CYS A 70 72.182 6.685 -5.547 1.00 0.00 C ATOM 1094 O CYS A 70 71.602 7.305 -4.678 1.00 0.00 O ATOM 1095 CB CYS A 70 71.214 5.991 -7.744 1.00 0.00 C ATOM 1096 SG CYS A 70 69.721 7.014 -7.780 1.00 0.00 S ATOM 0 H CYS A 70 69.752 5.976 -5.148 1.00 0.00 H new ATOM 0 HA CYS A 70 72.144 4.674 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 70 72.062 6.553 -8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 70 71.086 5.119 -8.386 1.00 0.00 H new ATOM 0 HG CYS A 70 69.483 7.392 -9.001 1.00 0.00 H new