USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 511 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 1 ALA N :NH3+ -116:sc=0.000779 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.483 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.447 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 106:sc= 0.667 USER MOD Single : A 33 SER OG : rot 180:sc= 0.132 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -38:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 60 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 61 TYR OH : rot 123:sc= 0.249 USER MOD Single : A 64 THR OG1 : rot -49:sc= 0.546 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.885 -12.569 -8.760 1.00 25.00 N ATOM 2 CA ALA A 1 -15.583 -12.011 -9.180 1.00 25.00 C ATOM 3 C ALA A 1 -14.700 -11.550 -8.023 1.00 25.00 C ATOM 4 O ALA A 1 -15.148 -11.195 -6.955 1.00 25.00 O ATOM 5 CB ALA A 1 -15.854 -10.846 -10.144 1.00 25.00 C ATOM 0 H1 ALA A 1 -16.935 -13.573 -9.027 1.00 25.00 H new ATOM 0 H2 ALA A 1 -16.985 -12.479 -7.729 1.00 25.00 H new ATOM 0 H3 ALA A 1 -17.653 -12.048 -9.229 1.00 25.00 H new ATOM 0 HA ALA A 1 -15.022 -12.810 -9.665 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -14.907 -10.415 -10.470 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -16.404 -11.212 -11.011 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -16.444 -10.083 -9.636 1.00 25.00 H new ATOM 10 N TYR A 2 -13.390 -11.567 -8.270 1.00 25.00 N ATOM 11 CA TYR A 2 -12.387 -11.155 -7.302 1.00 25.00 C ATOM 12 C TYR A 2 -11.786 -9.831 -7.744 1.00 25.00 C ATOM 13 O TYR A 2 -11.910 -9.439 -8.904 1.00 25.00 O ATOM 14 CB TYR A 2 -11.291 -12.214 -7.232 1.00 25.00 C ATOM 15 CG TYR A 2 -11.758 -13.515 -6.618 1.00 25.00 C ATOM 16 CD1 TYR A 2 -11.868 -13.650 -5.218 1.00 25.00 C ATOM 17 CD2 TYR A 2 -12.099 -14.619 -7.428 1.00 25.00 C ATOM 18 CE1 TYR A 2 -12.316 -14.868 -4.637 1.00 25.00 C ATOM 19 CE2 TYR A 2 -12.549 -15.837 -6.848 1.00 25.00 C ATOM 20 CZ TYR A 2 -12.651 -15.946 -5.458 1.00 25.00 C ATOM 21 OH TYR A 2 -13.081 -17.121 -4.894 1.00 25.00 O ATOM 0 H TYR A 2 -12.996 -11.872 -9.160 1.00 25.00 H new ATOM 0 HA TYR A 2 -12.844 -11.040 -6.319 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -10.917 -12.408 -8.237 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -10.455 -11.825 -6.651 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -11.609 -12.818 -4.580 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -12.017 -14.538 -8.502 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -12.397 -14.959 -3.564 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -12.811 -16.674 -7.478 1.00 25.00 H new ATOM 0 HH TYR A 2 -13.275 -17.771 -5.601 1.00 25.00 H new ATOM 31 N ARG A 3 -11.098 -9.156 -6.833 1.00 25.00 N ATOM 32 CA ARG A 3 -10.382 -7.935 -7.171 1.00 25.00 C ATOM 33 C ARG A 3 -9.255 -8.346 -8.113 1.00 25.00 C ATOM 34 O ARG A 3 -8.670 -9.412 -7.929 1.00 25.00 O ATOM 35 CB ARG A 3 -9.761 -7.287 -5.924 1.00 25.00 C ATOM 36 CG ARG A 3 -10.760 -6.832 -4.874 1.00 25.00 C ATOM 37 CD ARG A 3 -10.040 -6.058 -3.771 1.00 25.00 C ATOM 38 NE ARG A 3 -10.965 -5.629 -2.708 1.00 25.00 N ATOM 39 CZ ARG A 3 -10.679 -4.743 -1.755 1.00 25.00 C ATOM 40 NH1 ARG A 3 -9.516 -4.151 -1.669 1.00 25.00 N ATOM 41 NH2 ARG A 3 -11.587 -4.438 -0.876 1.00 25.00 N ATOM 0 H ARG A 3 -11.021 -9.434 -5.855 1.00 25.00 H new ATOM 0 HA ARG A 3 -11.066 -7.214 -7.619 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -9.074 -7.999 -5.466 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -9.168 -6.428 -6.236 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -11.522 -6.203 -5.333 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -11.273 -7.695 -4.449 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -9.257 -6.683 -3.341 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -9.550 -5.184 -4.201 1.00 25.00 H new ATOM 0 HE ARG A 3 -11.897 -6.043 -2.701 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -8.785 -4.362 -2.348 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -9.340 -3.479 -0.923 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -12.507 -4.876 -0.920 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -11.379 -3.761 -0.142 1.00 25.00 H new ATOM 55 N PRO A 4 -8.879 -7.473 -9.068 1.00 25.00 N ATOM 56 CA PRO A 4 -7.707 -7.770 -9.909 1.00 25.00 C ATOM 57 C PRO A 4 -6.444 -7.994 -9.081 1.00 25.00 C ATOM 58 O PRO A 4 -5.551 -8.731 -9.474 1.00 25.00 O ATOM 59 CB PRO A 4 -7.559 -6.500 -10.758 1.00 25.00 C ATOM 60 CG PRO A 4 -8.911 -5.899 -10.778 1.00 25.00 C ATOM 61 CD PRO A 4 -9.471 -6.169 -9.413 1.00 25.00 C ATOM 0 HA PRO A 4 -7.839 -8.683 -10.489 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -6.829 -5.817 -10.324 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -7.216 -6.735 -11.765 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -8.865 -4.829 -10.982 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -9.531 -6.346 -11.555 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -9.188 -5.395 -8.700 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -10.560 -6.210 -9.424 1.00 25.00 H new ATOM 69 N SER A 5 -6.405 -7.369 -7.912 1.00 25.00 N ATOM 70 CA SER A 5 -5.305 -7.520 -6.984 1.00 25.00 C ATOM 71 C SER A 5 -5.845 -7.689 -5.577 1.00 25.00 C ATOM 72 O SER A 5 -6.259 -6.737 -4.918 1.00 25.00 O ATOM 73 CB SER A 5 -4.401 -6.306 -7.042 1.00 25.00 C ATOM 74 OG SER A 5 -5.147 -5.110 -6.886 1.00 25.00 O ATOM 0 H SER A 5 -7.140 -6.742 -7.585 1.00 25.00 H new ATOM 0 HA SER A 5 -4.728 -8.403 -7.260 1.00 25.00 H new ATOM 0 HB2 SER A 5 -3.646 -6.373 -6.259 1.00 25.00 H new ATOM 0 HB3 SER A 5 -3.872 -6.287 -7.995 1.00 25.00 H new ATOM 0 HG SER A 5 -5.766 -5.206 -6.132 1.00 25.00 H new ATOM 80 N GLU A 6 -5.860 -8.930 -5.134 1.00 25.00 N ATOM 81 CA GLU A 6 -6.285 -9.260 -3.775 1.00 25.00 C ATOM 82 C GLU A 6 -5.113 -9.066 -2.827 1.00 25.00 C ATOM 83 O GLU A 6 -5.290 -8.846 -1.630 1.00 25.00 O ATOM 84 CB GLU A 6 -6.770 -10.705 -3.738 1.00 25.00 C ATOM 85 CG GLU A 6 -8.039 -10.901 -4.568 1.00 25.00 C ATOM 86 CD GLU A 6 -9.290 -10.413 -3.865 1.00 25.00 C ATOM 87 OE1 GLU A 6 -10.366 -10.375 -4.390 1.00 25.00 O ATOM 88 OE2 GLU A 6 -9.107 -10.023 -2.640 1.00 25.00 O ATOM 0 H GLU A 6 -5.582 -9.736 -5.694 1.00 25.00 H new ATOM 0 HA GLU A 6 -7.102 -8.608 -3.466 1.00 25.00 H new ATOM 0 HB2 GLU A 6 -5.985 -11.361 -4.114 1.00 25.00 H new ATOM 0 HB3 GLU A 6 -6.962 -10.997 -2.706 1.00 25.00 H new ATOM 0 HG2 GLU A 6 -7.932 -10.372 -5.515 1.00 25.00 H new ATOM 0 HG3 GLU A 6 -8.152 -11.959 -4.805 1.00 25.00 H new ATOM 95 N THR A 7 -3.922 -9.108 -3.400 1.00 25.00 N ATOM 96 CA THR A 7 -2.685 -8.816 -2.704 1.00 25.00 C ATOM 97 C THR A 7 -1.927 -7.939 -3.685 1.00 25.00 C ATOM 98 O THR A 7 -2.268 -7.902 -4.870 1.00 25.00 O ATOM 99 CB THR A 7 -1.865 -10.096 -2.397 1.00 25.00 C ATOM 100 OG1 THR A 7 -1.682 -10.842 -3.601 1.00 25.00 O ATOM 101 CG2 THR A 7 -2.583 -10.988 -1.400 1.00 25.00 C ATOM 0 H THR A 7 -3.788 -9.351 -4.381 1.00 25.00 H new ATOM 0 HA THR A 7 -2.867 -8.348 -1.737 1.00 25.00 H new ATOM 0 HB THR A 7 -0.909 -9.785 -1.976 1.00 25.00 H new ATOM 0 HG1 THR A 7 -1.162 -11.650 -3.409 1.00 25.00 H new ATOM 0 HG21 THR A 7 -1.981 -11.876 -1.207 1.00 25.00 H new ATOM 0 HG22 THR A 7 -2.735 -10.443 -0.468 1.00 25.00 H new ATOM 0 HG23 THR A 7 -3.549 -11.286 -1.808 1.00 25.00 H new ATOM 109 N LEU A 8 -0.923 -7.228 -3.203 1.00 25.00 N ATOM 110 CA LEU A 8 -0.107 -6.351 -4.027 1.00 25.00 C ATOM 111 C LEU A 8 1.338 -6.736 -3.829 1.00 25.00 C ATOM 112 O LEU A 8 1.849 -6.721 -2.712 1.00 25.00 O ATOM 113 CB LEU A 8 -0.292 -4.900 -3.605 1.00 25.00 C ATOM 114 CG LEU A 8 -1.560 -4.193 -4.075 1.00 25.00 C ATOM 115 CD1 LEU A 8 -1.719 -2.891 -3.314 1.00 25.00 C ATOM 116 CD2 LEU A 8 -1.511 -3.930 -5.577 1.00 25.00 C ATOM 0 H LEU A 8 -0.648 -7.243 -2.221 1.00 25.00 H new ATOM 0 HA LEU A 8 -0.402 -6.452 -5.071 1.00 25.00 H new ATOM 0 HB2 LEU A 8 -0.266 -4.859 -2.516 1.00 25.00 H new ATOM 0 HB3 LEU A 8 0.565 -4.331 -3.966 1.00 25.00 H new ATOM 0 HG LEU A 8 -2.418 -4.835 -3.877 1.00 25.00 H new ATOM 0 HD11 LEU A 8 -2.624 -2.383 -3.647 1.00 25.00 H new ATOM 0 HD12 LEU A 8 -1.792 -3.100 -2.247 1.00 25.00 H new ATOM 0 HD13 LEU A 8 -0.855 -2.253 -3.500 1.00 25.00 H new ATOM 0 HD21 LEU A 8 -2.426 -3.425 -5.888 1.00 25.00 H new ATOM 0 HD22 LEU A 8 -0.652 -3.300 -5.808 1.00 25.00 H new ATOM 0 HD23 LEU A 8 -1.420 -4.877 -6.109 1.00 25.00 H new ATOM 128 N CYS A 9 1.997 -7.094 -4.916 1.00 25.00 N ATOM 129 CA CYS A 9 3.378 -7.537 -4.868 1.00 25.00 C ATOM 130 C CYS A 9 3.949 -7.398 -6.269 1.00 25.00 C ATOM 131 O CYS A 9 3.250 -6.952 -7.172 1.00 25.00 O ATOM 132 CB CYS A 9 3.432 -9.002 -4.423 1.00 25.00 C ATOM 133 SG CYS A 9 4.763 -9.354 -3.234 1.00 25.00 S ATOM 0 H CYS A 9 1.592 -7.086 -5.852 1.00 25.00 H new ATOM 0 HA CYS A 9 3.954 -6.941 -4.160 1.00 25.00 H new ATOM 0 HB2 CYS A 9 2.476 -9.272 -3.975 1.00 25.00 H new ATOM 0 HB3 CYS A 9 3.564 -9.635 -5.301 1.00 25.00 H new ATOM 138 N GLY A 10 5.198 -7.798 -6.451 1.00 25.00 N ATOM 139 CA GLY A 10 5.779 -7.867 -7.789 1.00 25.00 C ATOM 140 C GLY A 10 5.864 -6.544 -8.522 1.00 25.00 C ATOM 141 O GLY A 10 5.723 -6.493 -9.731 1.00 25.00 O ATOM 0 H GLY A 10 5.827 -8.078 -5.698 1.00 25.00 H new ATOM 0 HA2 GLY A 10 6.782 -8.287 -7.711 1.00 25.00 H new ATOM 0 HA3 GLY A 10 5.189 -8.560 -8.389 1.00 25.00 H new ATOM 145 N GLY A 11 6.065 -5.462 -7.788 1.00 25.00 N ATOM 146 CA GLY A 11 6.154 -4.143 -8.400 1.00 25.00 C ATOM 147 C GLY A 11 4.831 -3.405 -8.447 1.00 25.00 C ATOM 148 O GLY A 11 4.820 -2.187 -8.319 1.00 25.00 O ATOM 0 H GLY A 11 6.169 -5.468 -6.773 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.876 -3.543 -7.846 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.538 -4.248 -9.415 1.00 25.00 H new ATOM 152 N GLU A 12 3.712 -4.117 -8.539 1.00 25.00 N ATOM 153 CA GLU A 12 2.398 -3.464 -8.527 1.00 25.00 C ATOM 154 C GLU A 12 2.209 -2.744 -7.201 1.00 25.00 C ATOM 155 O GLU A 12 1.606 -1.692 -7.126 1.00 25.00 O ATOM 156 CB GLU A 12 1.268 -4.480 -8.694 1.00 25.00 C ATOM 157 CG GLU A 12 -0.093 -3.827 -8.958 1.00 25.00 C ATOM 158 CD GLU A 12 -0.307 -3.518 -10.418 1.00 25.00 C ATOM 159 OE1 GLU A 12 -0.296 -4.365 -11.269 1.00 25.00 O ATOM 160 OE2 GLU A 12 -0.496 -2.263 -10.683 1.00 25.00 O ATOM 0 H GLU A 12 3.683 -5.133 -8.622 1.00 25.00 H new ATOM 0 HA GLU A 12 2.363 -2.762 -9.360 1.00 25.00 H new ATOM 0 HB2 GLU A 12 1.509 -5.150 -9.519 1.00 25.00 H new ATOM 0 HB3 GLU A 12 1.202 -5.092 -7.795 1.00 25.00 H new ATOM 0 HG2 GLU A 12 -0.885 -4.490 -8.610 1.00 25.00 H new ATOM 0 HG3 GLU A 12 -0.170 -2.907 -8.379 1.00 25.00 H new ATOM 167 N LEU A 13 2.770 -3.314 -6.149 1.00 25.00 N ATOM 168 CA LEU A 13 2.687 -2.697 -4.835 1.00 25.00 C ATOM 169 C LEU A 13 3.321 -1.301 -4.849 1.00 25.00 C ATOM 170 O LEU A 13 2.789 -0.368 -4.267 1.00 25.00 O ATOM 171 CB LEU A 13 3.405 -3.572 -3.805 1.00 25.00 C ATOM 172 CG LEU A 13 3.427 -3.037 -2.365 1.00 25.00 C ATOM 173 CD1 LEU A 13 2.039 -2.675 -1.850 1.00 25.00 C ATOM 174 CD2 LEU A 13 4.050 -4.081 -1.456 1.00 25.00 C ATOM 0 H LEU A 13 3.284 -4.195 -6.177 1.00 25.00 H new ATOM 0 HA LEU A 13 1.635 -2.601 -4.567 1.00 25.00 H new ATOM 0 HB2 LEU A 13 2.932 -4.554 -3.799 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.434 -3.716 -4.134 1.00 25.00 H new ATOM 0 HG LEU A 13 4.018 -2.121 -2.364 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.116 -2.303 -0.828 1.00 25.00 H new ATOM 0 HD12 LEU A 13 1.605 -1.903 -2.486 1.00 25.00 H new ATOM 0 HD13 LEU A 13 1.402 -3.560 -1.867 1.00 25.00 H new ATOM 0 HD21 LEU A 13 4.069 -3.707 -0.432 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.461 -4.997 -1.497 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.068 -4.289 -1.785 1.00 25.00 H new ATOM 186 N VAL A 14 4.455 -1.166 -5.525 1.00 25.00 N ATOM 187 CA VAL A 14 5.170 0.107 -5.584 1.00 25.00 C ATOM 188 C VAL A 14 4.363 1.091 -6.419 1.00 25.00 C ATOM 189 O VAL A 14 4.248 2.258 -6.073 1.00 25.00 O ATOM 190 CB VAL A 14 6.587 -0.072 -6.208 1.00 25.00 C ATOM 191 CG1 VAL A 14 7.347 1.253 -6.221 1.00 25.00 C ATOM 192 CG2 VAL A 14 7.392 -1.120 -5.414 1.00 25.00 C ATOM 0 H VAL A 14 4.902 -1.923 -6.042 1.00 25.00 H new ATOM 0 HA VAL A 14 5.293 0.486 -4.570 1.00 25.00 H new ATOM 0 HB VAL A 14 6.462 -0.415 -7.235 1.00 25.00 H new ATOM 0 HG11 VAL A 14 8.333 1.103 -6.661 1.00 25.00 H new ATOM 0 HG12 VAL A 14 6.794 1.984 -6.811 1.00 25.00 H new ATOM 0 HG13 VAL A 14 7.457 1.619 -5.200 1.00 25.00 H new ATOM 0 HG21 VAL A 14 8.380 -1.235 -5.861 1.00 25.00 H new ATOM 0 HG22 VAL A 14 7.497 -0.791 -4.380 1.00 25.00 H new ATOM 0 HG23 VAL A 14 6.869 -2.076 -5.439 1.00 25.00 H new ATOM 202 N ASP A 15 3.753 0.597 -7.486 1.00 25.00 N ATOM 203 CA ASP A 15 2.875 1.413 -8.325 1.00 25.00 C ATOM 204 C ASP A 15 1.733 1.973 -7.469 1.00 25.00 C ATOM 205 O ASP A 15 1.486 3.176 -7.461 1.00 25.00 O ATOM 206 CB ASP A 15 2.340 0.564 -9.486 1.00 25.00 C ATOM 207 CG ASP A 15 0.866 0.800 -9.758 1.00 25.00 C ATOM 208 OD1 ASP A 15 0.538 1.769 -10.464 1.00 25.00 O ATOM 209 OD2 ASP A 15 0.036 -0.018 -9.282 1.00 25.00 O ATOM 0 H ASP A 15 3.848 -0.370 -7.796 1.00 25.00 H new ATOM 0 HA ASP A 15 3.430 2.251 -8.747 1.00 25.00 H new ATOM 0 HB2 ASP A 15 2.911 0.788 -10.387 1.00 25.00 H new ATOM 0 HB3 ASP A 15 2.499 -0.491 -9.262 1.00 25.00 H new ATOM 214 N THR A 16 1.110 1.120 -6.672 1.00 25.00 N ATOM 215 CA THR A 16 0.035 1.555 -5.791 1.00 25.00 C ATOM 216 C THR A 16 0.507 2.557 -4.748 1.00 25.00 C ATOM 217 O THR A 16 -0.183 3.524 -4.446 1.00 25.00 O ATOM 218 CB THR A 16 -0.580 0.371 -5.043 1.00 25.00 C ATOM 219 OG1 THR A 16 -0.946 -0.643 -5.983 1.00 25.00 O ATOM 220 CG2 THR A 16 -1.808 0.804 -4.305 1.00 25.00 C ATOM 0 H THR A 16 1.328 0.125 -6.616 1.00 25.00 H new ATOM 0 HA THR A 16 -0.702 2.027 -6.441 1.00 25.00 H new ATOM 0 HB THR A 16 0.152 -0.014 -4.334 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.142 -1.117 -6.282 1.00 25.00 H new ATOM 0 HG21 THR A 16 -2.235 -0.049 -3.777 1.00 25.00 H new ATOM 0 HG22 THR A 16 -1.546 1.581 -3.587 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.539 1.196 -5.013 1.00 25.00 H new ATOM 228 N LEU A 17 1.686 2.335 -4.190 1.00 25.00 N ATOM 229 CA LEU A 17 2.226 3.242 -3.181 1.00 25.00 C ATOM 230 C LEU A 17 2.462 4.621 -3.784 1.00 25.00 C ATOM 231 O LEU A 17 2.191 5.638 -3.147 1.00 25.00 O ATOM 232 CB LEU A 17 3.519 2.680 -2.614 1.00 25.00 C ATOM 233 CG LEU A 17 3.262 1.621 -1.538 1.00 25.00 C ATOM 234 CD1 LEU A 17 4.358 0.625 -1.513 1.00 25.00 C ATOM 235 CD2 LEU A 17 3.120 2.271 -0.166 1.00 25.00 C ATOM 0 H LEU A 17 2.286 1.541 -4.414 1.00 25.00 H new ATOM 0 HA LEU A 17 1.504 3.339 -2.371 1.00 25.00 H new ATOM 0 HB2 LEU A 17 4.108 2.242 -3.420 1.00 25.00 H new ATOM 0 HB3 LEU A 17 4.112 3.491 -2.190 1.00 25.00 H new ATOM 0 HG LEU A 17 2.330 1.112 -1.783 1.00 25.00 H new ATOM 0 HD11 LEU A 17 4.156 -0.119 -0.742 1.00 25.00 H new ATOM 0 HD12 LEU A 17 4.424 0.133 -2.483 1.00 25.00 H new ATOM 0 HD13 LEU A 17 5.301 1.127 -1.295 1.00 25.00 H new ATOM 0 HD21 LEU A 17 2.938 1.501 0.584 1.00 25.00 H new ATOM 0 HD22 LEU A 17 4.037 2.807 0.079 1.00 25.00 H new ATOM 0 HD23 LEU A 17 2.284 2.970 -0.179 1.00 25.00 H new ATOM 247 N GLN A 18 2.910 4.658 -5.031 1.00 25.00 N ATOM 248 CA GLN A 18 3.101 5.921 -5.735 1.00 25.00 C ATOM 249 C GLN A 18 1.752 6.588 -6.021 1.00 25.00 C ATOM 250 O GLN A 18 1.618 7.800 -5.900 1.00 25.00 O ATOM 251 CB GLN A 18 3.866 5.701 -7.043 1.00 25.00 C ATOM 252 CG GLN A 18 5.329 5.312 -6.828 1.00 25.00 C ATOM 253 CD GLN A 18 6.036 4.975 -8.122 1.00 25.00 C ATOM 254 OE1 GLN A 18 5.552 3.977 -8.812 1.00 25.00 O flip ATOM 255 NE2 GLN A 18 7.014 5.601 -8.488 1.00 25.00 N flip ATOM 0 H GLN A 18 3.148 3.830 -5.577 1.00 25.00 H new ATOM 0 HA GLN A 18 3.688 6.579 -5.095 1.00 25.00 H new ATOM 0 HB2 GLN A 18 3.370 4.920 -7.619 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.823 6.613 -7.639 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.851 6.133 -6.336 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.379 4.455 -6.157 1.00 25.00 H new ATOM 0 HE21 GLN A 18 7.365 6.375 -7.924 1.00 25.00 H new ATOM 0 HE22 GLN A 18 7.483 5.352 -9.359 1.00 25.00 H new ATOM 264 N PHE A 19 0.745 5.796 -6.353 1.00 25.00 N ATOM 265 CA PHE A 19 -0.597 6.328 -6.591 1.00 25.00 C ATOM 266 C PHE A 19 -1.210 6.923 -5.315 1.00 25.00 C ATOM 267 O PHE A 19 -1.714 8.041 -5.323 1.00 25.00 O ATOM 268 CB PHE A 19 -1.502 5.211 -7.127 1.00 25.00 C ATOM 269 CG PHE A 19 -2.914 5.655 -7.396 1.00 25.00 C ATOM 270 CD1 PHE A 19 -3.248 6.279 -8.613 1.00 25.00 C ATOM 271 CD2 PHE A 19 -3.925 5.441 -6.436 1.00 25.00 C ATOM 272 CE1 PHE A 19 -4.579 6.700 -8.870 1.00 25.00 C ATOM 273 CE2 PHE A 19 -5.257 5.857 -6.682 1.00 25.00 C ATOM 274 CZ PHE A 19 -5.583 6.488 -7.901 1.00 25.00 C ATOM 0 H PHE A 19 0.826 4.785 -6.465 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.515 7.130 -7.325 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.072 4.818 -8.048 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -1.519 4.392 -6.408 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -2.484 6.439 -9.359 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -3.681 4.955 -5.503 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -4.823 7.182 -9.805 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -6.022 5.691 -5.937 1.00 25.00 H new ATOM 0 HZ PHE A 19 -6.597 6.808 -8.092 1.00 25.00 H new ATOM 284 N VAL A 20 -1.195 6.166 -4.227 1.00 25.00 N ATOM 285 CA VAL A 20 -1.856 6.590 -2.990 1.00 25.00 C ATOM 286 C VAL A 20 -1.077 7.675 -2.216 1.00 25.00 C ATOM 287 O VAL A 20 -1.679 8.476 -1.487 1.00 25.00 O ATOM 288 CB VAL A 20 -2.152 5.346 -2.069 1.00 25.00 C ATOM 289 CG1 VAL A 20 -0.885 4.797 -1.426 1.00 25.00 C ATOM 290 CG2 VAL A 20 -3.162 5.694 -0.987 1.00 25.00 C ATOM 0 H VAL A 20 -0.735 5.257 -4.170 1.00 25.00 H new ATOM 0 HA VAL A 20 -2.798 7.051 -3.286 1.00 25.00 H new ATOM 0 HB VAL A 20 -2.570 4.573 -2.714 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -1.136 3.941 -0.800 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -0.188 4.486 -2.204 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -0.423 5.571 -0.813 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -3.347 4.817 -0.367 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -2.769 6.500 -0.368 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.095 6.015 -1.450 1.00 25.00 H new ATOM 300 N CYS A 21 0.248 7.692 -2.342 1.00 25.00 N ATOM 301 CA CYS A 21 1.078 8.628 -1.572 1.00 25.00 C ATOM 302 C CYS A 21 2.482 8.910 -2.147 1.00 25.00 C ATOM 303 O CYS A 21 3.393 9.223 -1.399 1.00 25.00 O ATOM 304 CB CYS A 21 1.237 8.078 -0.145 1.00 25.00 C ATOM 305 SG CYS A 21 0.451 9.128 1.115 1.00 25.00 S ATOM 0 H CYS A 21 0.771 7.075 -2.964 1.00 25.00 H new ATOM 0 HA CYS A 21 0.552 9.582 -1.609 1.00 25.00 H new ATOM 0 HB2 CYS A 21 0.806 7.078 -0.097 1.00 25.00 H new ATOM 0 HB3 CYS A 21 2.298 7.979 0.084 1.00 25.00 H new ATOM 310 N GLY A 22 2.675 8.801 -3.454 1.00 25.00 N ATOM 311 CA GLY A 22 4.012 8.974 -4.017 1.00 25.00 C ATOM 312 C GLY A 22 4.641 10.332 -3.789 1.00 25.00 C ATOM 313 O GLY A 22 5.762 10.422 -3.306 1.00 25.00 O ATOM 0 H GLY A 22 1.942 8.598 -4.134 1.00 25.00 H new ATOM 0 HA2 GLY A 22 4.667 8.213 -3.594 1.00 25.00 H new ATOM 0 HA3 GLY A 22 3.962 8.791 -5.090 1.00 25.00 H new ATOM 317 N ASP A 23 3.903 11.388 -4.101 1.00 25.00 N ATOM 318 CA ASP A 23 4.384 12.765 -3.911 1.00 25.00 C ATOM 319 C ASP A 23 4.657 13.055 -2.436 1.00 25.00 C ATOM 320 O ASP A 23 5.590 13.759 -2.075 1.00 25.00 O ATOM 321 CB ASP A 23 3.309 13.729 -4.416 1.00 25.00 C ATOM 322 CG ASP A 23 3.674 15.181 -4.185 1.00 25.00 C ATOM 323 OD1 ASP A 23 4.506 15.721 -4.938 1.00 25.00 O ATOM 324 OD2 ASP A 23 3.072 15.794 -3.274 1.00 25.00 O ATOM 0 H ASP A 23 2.962 11.325 -4.490 1.00 25.00 H new ATOM 0 HA ASP A 23 5.314 12.892 -4.464 1.00 25.00 H new ATOM 0 HB2 ASP A 23 3.149 13.563 -5.481 1.00 25.00 H new ATOM 0 HB3 ASP A 23 2.366 13.511 -3.915 1.00 25.00 H new ATOM 329 N ARG A 24 3.831 12.469 -1.584 1.00 25.00 N ATOM 330 CA ARG A 24 3.912 12.671 -0.142 1.00 25.00 C ATOM 331 C ARG A 24 4.950 11.763 0.512 1.00 25.00 C ATOM 332 O ARG A 24 5.172 11.846 1.718 1.00 25.00 O ATOM 333 CB ARG A 24 2.536 12.391 0.452 1.00 25.00 C ATOM 334 CG ARG A 24 1.482 13.414 0.022 1.00 25.00 C ATOM 335 CD ARG A 24 0.082 12.851 0.163 1.00 25.00 C ATOM 336 NE ARG A 24 -0.201 12.441 1.546 1.00 25.00 N ATOM 337 CZ ARG A 24 -1.336 11.889 1.961 1.00 25.00 C ATOM 338 NH1 ARG A 24 -2.344 11.659 1.151 1.00 25.00 N ATOM 339 NH2 ARG A 24 -1.456 11.561 3.215 1.00 25.00 N ATOM 0 H ARG A 24 3.083 11.838 -1.871 1.00 25.00 H new ATOM 0 HA ARG A 24 4.223 13.698 0.049 1.00 25.00 H new ATOM 0 HB2 ARG A 24 2.212 11.395 0.151 1.00 25.00 H new ATOM 0 HB3 ARG A 24 2.609 12.388 1.540 1.00 25.00 H new ATOM 0 HG2 ARG A 24 1.577 14.315 0.628 1.00 25.00 H new ATOM 0 HG3 ARG A 24 1.657 13.707 -1.013 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -0.645 13.600 -0.151 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -0.035 11.995 -0.502 1.00 25.00 H new ATOM 0 HE ARG A 24 0.530 12.592 2.241 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -2.272 11.906 0.164 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -3.199 11.233 1.509 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -0.686 11.729 3.862 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -2.321 11.136 3.551 1.00 25.00 H new ATOM 353 N GLY A 25 5.555 10.893 -0.282 1.00 25.00 N ATOM 354 CA GLY A 25 6.523 9.933 0.218 1.00 25.00 C ATOM 355 C GLY A 25 5.867 8.749 0.910 1.00 25.00 C ATOM 356 O GLY A 25 4.762 8.849 1.440 1.00 25.00 O ATOM 0 H GLY A 25 5.389 10.834 -1.287 1.00 25.00 H new ATOM 0 HA2 GLY A 25 7.133 9.573 -0.610 1.00 25.00 H new ATOM 0 HA3 GLY A 25 7.196 10.431 0.917 1.00 25.00 H new ATOM 360 N PHE A 26 6.558 7.621 0.943 1.00 25.00 N ATOM 361 CA PHE A 26 6.058 6.427 1.622 1.00 25.00 C ATOM 362 C PHE A 26 7.237 5.556 2.011 1.00 25.00 C ATOM 363 O PHE A 26 8.343 5.740 1.502 1.00 25.00 O ATOM 364 CB PHE A 26 5.092 5.645 0.716 1.00 25.00 C ATOM 365 CG PHE A 26 5.690 5.237 -0.608 1.00 25.00 C ATOM 366 CD1 PHE A 26 5.464 6.015 -1.760 1.00 25.00 C ATOM 367 CD2 PHE A 26 6.461 4.061 -0.721 1.00 25.00 C ATOM 368 CE1 PHE A 26 6.008 5.635 -3.004 1.00 25.00 C ATOM 369 CE2 PHE A 26 7.009 3.675 -1.963 1.00 25.00 C ATOM 370 CZ PHE A 26 6.775 4.462 -3.106 1.00 25.00 C ATOM 0 H PHE A 26 7.472 7.503 0.506 1.00 25.00 H new ATOM 0 HA PHE A 26 5.508 6.725 2.515 1.00 25.00 H new ATOM 0 HB2 PHE A 26 4.758 4.751 1.243 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.208 6.255 0.532 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.867 6.913 -1.690 1.00 25.00 H new ATOM 0 HD2 PHE A 26 6.634 3.450 0.152 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.835 6.245 -3.878 1.00 25.00 H new ATOM 0 HE2 PHE A 26 7.606 2.778 -2.036 1.00 25.00 H new ATOM 0 HZ PHE A 26 7.184 4.165 -4.060 1.00 25.00 H new ATOM 380 N TYR A 27 6.998 4.609 2.903 1.00 25.00 N ATOM 381 CA TYR A 27 8.032 3.685 3.353 1.00 25.00 C ATOM 382 C TYR A 27 7.540 2.258 3.175 1.00 25.00 C ATOM 383 O TYR A 27 6.344 2.007 3.100 1.00 25.00 O ATOM 384 CB TYR A 27 8.361 3.944 4.825 1.00 25.00 C ATOM 385 CG TYR A 27 8.870 5.344 5.089 1.00 25.00 C ATOM 386 CD1 TYR A 27 10.136 5.753 4.617 1.00 25.00 C ATOM 387 CD2 TYR A 27 8.093 6.271 5.813 1.00 25.00 C ATOM 388 CE1 TYR A 27 10.613 7.069 4.858 1.00 25.00 C ATOM 389 CE2 TYR A 27 8.575 7.583 6.064 1.00 25.00 C ATOM 390 CZ TYR A 27 9.825 7.970 5.580 1.00 25.00 C ATOM 391 OH TYR A 27 10.287 9.238 5.821 1.00 25.00 O ATOM 0 H TYR A 27 6.087 4.457 3.335 1.00 25.00 H new ATOM 0 HA TYR A 27 8.935 3.835 2.761 1.00 25.00 H new ATOM 0 HB2 TYR A 27 7.468 3.771 5.425 1.00 25.00 H new ATOM 0 HB3 TYR A 27 9.111 3.225 5.154 1.00 25.00 H new ATOM 0 HD1 TYR A 27 10.750 5.056 4.066 1.00 25.00 H new ATOM 0 HD2 TYR A 27 7.120 5.980 6.181 1.00 25.00 H new ATOM 0 HE1 TYR A 27 11.580 7.372 4.485 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.975 8.281 6.629 1.00 25.00 H new ATOM 0 HH TYR A 27 9.618 9.738 6.334 1.00 25.00 H new ATOM 401 N PHE A 28 8.468 1.314 3.121 1.00 25.00 N ATOM 402 CA PHE A 28 8.110 -0.099 2.978 1.00 25.00 C ATOM 403 C PHE A 28 7.986 -0.757 4.357 1.00 25.00 C ATOM 404 O PHE A 28 7.776 -1.971 4.481 1.00 25.00 O ATOM 405 CB PHE A 28 9.157 -0.816 2.115 1.00 25.00 C ATOM 406 CG PHE A 28 8.624 -1.279 0.775 1.00 25.00 C ATOM 407 CD1 PHE A 28 8.722 -2.632 0.400 1.00 25.00 C ATOM 408 CD2 PHE A 28 8.021 -0.369 -0.120 1.00 25.00 C ATOM 409 CE1 PHE A 28 8.237 -3.076 -0.856 1.00 25.00 C ATOM 410 CE2 PHE A 28 7.536 -0.805 -1.379 1.00 25.00 C ATOM 411 CZ PHE A 28 7.639 -2.162 -1.741 1.00 25.00 C ATOM 0 H PHE A 28 9.471 1.494 3.173 1.00 25.00 H new ATOM 0 HA PHE A 28 7.143 -0.177 2.481 1.00 25.00 H new ATOM 0 HB2 PHE A 28 10.000 -0.145 1.949 1.00 25.00 H new ATOM 0 HB3 PHE A 28 9.538 -1.678 2.662 1.00 25.00 H new ATOM 0 HD1 PHE A 28 9.173 -3.342 1.078 1.00 25.00 H new ATOM 0 HD2 PHE A 28 7.928 0.671 0.157 1.00 25.00 H new ATOM 0 HE1 PHE A 28 8.327 -4.116 -1.133 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.088 -0.097 -2.060 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.260 -2.499 -2.695 1.00 25.00 H new ATOM 421 N SER A 29 8.098 0.066 5.387 1.00 25.00 N ATOM 422 CA SER A 29 8.039 -0.354 6.780 1.00 25.00 C ATOM 423 C SER A 29 7.199 0.686 7.494 1.00 25.00 C ATOM 424 O SER A 29 7.012 1.769 6.967 1.00 25.00 O ATOM 425 CB SER A 29 9.451 -0.363 7.366 1.00 25.00 C ATOM 426 OG SER A 29 10.072 0.902 7.185 1.00 25.00 O ATOM 0 H SER A 29 8.236 1.070 5.276 1.00 25.00 H new ATOM 0 HA SER A 29 7.616 -1.353 6.885 1.00 25.00 H new ATOM 0 HB2 SER A 29 9.409 -0.606 8.428 1.00 25.00 H new ATOM 0 HB3 SER A 29 10.046 -1.139 6.885 1.00 25.00 H new ATOM 0 HG SER A 29 10.099 1.379 8.041 1.00 25.00 H new ATOM 432 N ARG A 30 6.714 0.390 8.694 1.00 25.00 N ATOM 433 CA ARG A 30 6.012 1.423 9.475 1.00 25.00 C ATOM 434 C ARG A 30 6.965 2.452 10.097 1.00 25.00 C ATOM 435 O ARG A 30 6.815 3.645 9.881 1.00 25.00 O ATOM 436 CB ARG A 30 5.047 0.839 10.515 1.00 25.00 C ATOM 437 CG ARG A 30 4.012 -0.069 9.906 1.00 25.00 C ATOM 438 CD ARG A 30 2.629 0.158 10.504 1.00 25.00 C ATOM 439 NE ARG A 30 2.118 1.500 10.170 1.00 25.00 N ATOM 440 CZ ARG A 30 1.263 2.203 10.904 1.00 25.00 C ATOM 441 NH1 ARG A 30 0.758 1.750 12.028 1.00 25.00 N ATOM 442 NH2 ARG A 30 0.919 3.395 10.503 1.00 25.00 N ATOM 0 H ARG A 30 6.785 -0.523 9.143 1.00 25.00 H new ATOM 0 HA ARG A 30 5.399 1.961 8.752 1.00 25.00 H new ATOM 0 HB2 ARG A 30 5.616 0.284 11.261 1.00 25.00 H new ATOM 0 HB3 ARG A 30 4.546 1.654 11.037 1.00 25.00 H new ATOM 0 HG2 ARG A 30 3.973 0.097 8.829 1.00 25.00 H new ATOM 0 HG3 ARG A 30 4.306 -1.107 10.058 1.00 25.00 H new ATOM 0 HD2 ARG A 30 1.940 -0.600 10.131 1.00 25.00 H new ATOM 0 HD3 ARG A 30 2.675 0.042 11.587 1.00 25.00 H new ATOM 0 HE ARG A 30 2.449 1.924 9.303 1.00 25.00 H new ATOM 0 HH11 ARG A 30 1.020 0.825 12.368 1.00 25.00 H new ATOM 0 HH12 ARG A 30 0.104 2.323 12.561 1.00 25.00 H new ATOM 0 HH21 ARG A 30 1.305 3.773 9.638 1.00 25.00 H new ATOM 0 HH22 ARG A 30 0.264 3.949 11.054 1.00 25.00 H new ATOM 456 N PRO A 31 7.966 2.001 10.863 1.00 25.00 N ATOM 457 CA PRO A 31 8.940 2.965 11.374 1.00 25.00 C ATOM 458 C PRO A 31 9.901 3.432 10.292 1.00 25.00 C ATOM 459 O PRO A 31 10.403 2.635 9.498 1.00 25.00 O ATOM 460 CB PRO A 31 9.679 2.169 12.441 1.00 25.00 C ATOM 461 CG PRO A 31 9.591 0.738 11.962 1.00 25.00 C ATOM 462 CD PRO A 31 8.271 0.628 11.289 1.00 25.00 C ATOM 0 HA PRO A 31 8.471 3.875 11.749 1.00 25.00 H new ATOM 0 HB2 PRO A 31 10.715 2.495 12.535 1.00 25.00 H new ATOM 0 HB3 PRO A 31 9.217 2.290 13.421 1.00 25.00 H new ATOM 0 HG2 PRO A 31 10.403 0.503 11.274 1.00 25.00 H new ATOM 0 HG3 PRO A 31 9.667 0.039 12.795 1.00 25.00 H new ATOM 0 HD2 PRO A 31 8.313 -0.052 10.438 1.00 25.00 H new ATOM 0 HD3 PRO A 31 7.509 0.243 11.967 1.00 25.00 H new ATOM 470 N ALA A 32 10.179 4.726 10.299 1.00 25.00 N ATOM 471 CA ALA A 32 11.144 5.319 9.374 1.00 25.00 C ATOM 472 C ALA A 32 12.488 5.497 10.083 1.00 25.00 C ATOM 473 O ALA A 32 13.550 5.341 9.485 1.00 25.00 O ATOM 474 CB ALA A 32 10.629 6.670 8.894 1.00 25.00 C ATOM 0 H ALA A 32 9.749 5.394 10.939 1.00 25.00 H new ATOM 0 HA ALA A 32 11.275 4.661 8.515 1.00 25.00 H new ATOM 0 HB1 ALA A 32 11.350 7.110 8.205 1.00 25.00 H new ATOM 0 HB2 ALA A 32 9.675 6.536 8.384 1.00 25.00 H new ATOM 0 HB3 ALA A 32 10.493 7.332 9.749 1.00 25.00 H new ATOM 480 N SER A 33 12.405 5.838 11.366 1.00 25.00 N ATOM 481 CA SER A 33 13.569 6.162 12.199 1.00 25.00 C ATOM 482 C SER A 33 14.327 7.358 11.601 1.00 25.00 C ATOM 483 O SER A 33 13.788 8.093 10.778 1.00 25.00 O ATOM 484 CB SER A 33 14.486 4.941 12.367 1.00 25.00 C ATOM 485 OG SER A 33 15.306 5.076 13.521 1.00 25.00 O ATOM 0 H SER A 33 11.518 5.899 11.867 1.00 25.00 H new ATOM 0 HA SER A 33 13.221 6.441 13.193 1.00 25.00 H new ATOM 0 HB2 SER A 33 13.883 4.037 12.449 1.00 25.00 H new ATOM 0 HB3 SER A 33 15.112 4.827 11.482 1.00 25.00 H new ATOM 0 HG SER A 33 15.880 4.287 13.609 1.00 25.00 H new ATOM 491 N ARG A 34 15.551 7.585 12.061 1.00 25.00 N ATOM 492 CA ARG A 34 16.355 8.721 11.592 1.00 25.00 C ATOM 493 C ARG A 34 17.849 8.421 11.727 1.00 25.00 C ATOM 494 O ARG A 34 18.634 9.269 12.132 1.00 25.00 O ATOM 495 CB ARG A 34 15.974 9.989 12.374 1.00 25.00 C ATOM 496 CG ARG A 34 16.189 11.282 11.587 1.00 25.00 C ATOM 497 CD ARG A 34 15.734 12.493 12.393 1.00 25.00 C ATOM 498 NE ARG A 34 15.747 13.725 11.580 1.00 25.00 N ATOM 499 CZ ARG A 34 16.796 14.521 11.398 1.00 25.00 C ATOM 500 NH1 ARG A 34 17.969 14.278 11.933 1.00 25.00 N ATOM 501 NH2 ARG A 34 16.662 15.588 10.662 1.00 25.00 N ATOM 0 H ARG A 34 16.014 7.002 12.758 1.00 25.00 H new ATOM 0 HA ARG A 34 16.146 8.888 10.535 1.00 25.00 H new ATOM 0 HB2 ARG A 34 14.927 9.923 12.669 1.00 25.00 H new ATOM 0 HB3 ARG A 34 16.561 10.030 13.291 1.00 25.00 H new ATOM 0 HG2 ARG A 34 17.244 11.386 11.332 1.00 25.00 H new ATOM 0 HG3 ARG A 34 15.637 11.237 10.648 1.00 25.00 H new ATOM 0 HD2 ARG A 34 14.728 12.319 12.775 1.00 25.00 H new ATOM 0 HD3 ARG A 34 16.385 12.620 13.258 1.00 25.00 H new ATOM 0 HE ARG A 34 14.876 13.988 11.118 1.00 25.00 H new ATOM 0 HH11 ARG A 34 18.103 13.451 12.515 1.00 25.00 H new ATOM 0 HH12 ARG A 34 18.747 14.916 11.767 1.00 25.00 H new ATOM 0 HH21 ARG A 34 15.761 15.803 10.235 1.00 25.00 H new ATOM 0 HH22 ARG A 34 17.458 16.208 10.513 1.00 25.00 H new ATOM 515 N VAL A 35 18.219 7.186 11.427 1.00 25.00 N ATOM 516 CA VAL A 35 19.599 6.726 11.537 1.00 25.00 C ATOM 517 C VAL A 35 19.840 5.803 10.357 1.00 25.00 C ATOM 518 O VAL A 35 18.948 5.056 9.949 1.00 25.00 O ATOM 519 CB VAL A 35 19.880 5.968 12.880 1.00 25.00 C ATOM 520 CG1 VAL A 35 20.048 6.962 14.035 1.00 25.00 C ATOM 521 CG2 VAL A 35 18.747 4.976 13.221 1.00 25.00 C ATOM 0 H VAL A 35 17.570 6.470 11.099 1.00 25.00 H new ATOM 0 HA VAL A 35 20.271 7.584 11.533 1.00 25.00 H new ATOM 0 HB VAL A 35 20.804 5.405 12.745 1.00 25.00 H new ATOM 0 HG11 VAL A 35 20.242 6.417 14.959 1.00 25.00 H new ATOM 0 HG12 VAL A 35 20.885 7.628 13.823 1.00 25.00 H new ATOM 0 HG13 VAL A 35 19.136 7.549 14.145 1.00 25.00 H new ATOM 0 HG21 VAL A 35 18.977 4.469 14.158 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.807 5.518 13.323 1.00 25.00 H new ATOM 0 HG23 VAL A 35 18.656 4.239 12.423 1.00 25.00 H new ATOM 531 N SER A 36 21.026 5.889 9.780 1.00 25.00 N ATOM 532 CA SER A 36 21.361 5.142 8.571 1.00 25.00 C ATOM 533 C SER A 36 21.764 3.696 8.869 1.00 25.00 C ATOM 534 O SER A 36 22.926 3.314 8.757 1.00 25.00 O ATOM 535 CB SER A 36 22.483 5.869 7.841 1.00 25.00 C ATOM 536 OG SER A 36 22.776 5.251 6.603 1.00 25.00 O ATOM 0 H SER A 36 21.784 6.475 10.131 1.00 25.00 H new ATOM 0 HA SER A 36 20.471 5.091 7.943 1.00 25.00 H new ATOM 0 HB2 SER A 36 22.197 6.907 7.673 1.00 25.00 H new ATOM 0 HB3 SER A 36 23.377 5.881 8.464 1.00 25.00 H new ATOM 0 HG SER A 36 23.498 5.740 6.156 1.00 25.00 H new ATOM 542 N ARG A 37 20.784 2.892 9.253 1.00 25.00 N ATOM 543 CA ARG A 37 21.001 1.463 9.491 1.00 25.00 C ATOM 544 C ARG A 37 20.961 0.748 8.143 1.00 25.00 C ATOM 545 O ARG A 37 20.651 1.357 7.128 1.00 25.00 O ATOM 546 CB ARG A 37 19.931 0.912 10.443 1.00 25.00 C ATOM 547 CG ARG A 37 20.069 1.457 11.862 1.00 25.00 C ATOM 548 CD ARG A 37 19.052 0.831 12.809 1.00 25.00 C ATOM 549 NE ARG A 37 19.242 1.311 14.191 1.00 25.00 N ATOM 550 CZ ARG A 37 18.538 0.912 15.247 1.00 25.00 C ATOM 551 NH1 ARG A 37 17.573 0.029 15.155 1.00 25.00 N ATOM 552 NH2 ARG A 37 18.815 1.410 16.421 1.00 25.00 N ATOM 0 H ARG A 37 19.825 3.202 9.408 1.00 25.00 H new ATOM 0 HA ARG A 37 21.969 1.299 9.963 1.00 25.00 H new ATOM 0 HB2 ARG A 37 18.943 1.162 10.057 1.00 25.00 H new ATOM 0 HB3 ARG A 37 19.998 -0.176 10.468 1.00 25.00 H new ATOM 0 HG2 ARG A 37 21.076 1.262 12.230 1.00 25.00 H new ATOM 0 HG3 ARG A 37 19.937 2.539 11.850 1.00 25.00 H new ATOM 0 HD2 ARG A 37 18.043 1.071 12.474 1.00 25.00 H new ATOM 0 HD3 ARG A 37 19.147 -0.255 12.782 1.00 25.00 H new ATOM 0 HE ARG A 37 19.972 2.005 14.350 1.00 25.00 H new ATOM 0 HH11 ARG A 37 17.339 -0.378 14.250 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.057 -0.251 15.989 1.00 25.00 H new ATOM 0 HH21 ARG A 37 19.563 2.096 16.520 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.283 1.113 17.239 1.00 25.00 H new ATOM 566 N ARG A 38 21.250 -0.550 8.148 1.00 25.00 N ATOM 567 CA ARG A 38 21.270 -1.392 6.935 1.00 25.00 C ATOM 568 C ARG A 38 19.859 -1.772 6.452 1.00 25.00 C ATOM 569 O ARG A 38 19.573 -2.934 6.184 1.00 25.00 O ATOM 570 CB ARG A 38 22.136 -2.649 7.176 1.00 25.00 C ATOM 571 CG ARG A 38 21.692 -3.565 8.336 1.00 25.00 C ATOM 572 CD ARG A 38 22.580 -4.804 8.396 1.00 25.00 C ATOM 573 NE ARG A 38 22.089 -5.788 9.381 1.00 25.00 N ATOM 574 CZ ARG A 38 22.671 -6.953 9.655 1.00 25.00 C ATOM 575 NH1 ARG A 38 23.775 -7.340 9.064 1.00 25.00 N ATOM 576 NH2 ARG A 38 22.128 -7.741 10.541 1.00 25.00 N ATOM 0 H ARG A 38 21.481 -1.062 9.000 1.00 25.00 H new ATOM 0 HA ARG A 38 21.716 -0.801 6.135 1.00 25.00 H new ATOM 0 HB2 ARG A 38 22.149 -3.238 6.259 1.00 25.00 H new ATOM 0 HB3 ARG A 38 23.161 -2.329 7.364 1.00 25.00 H new ATOM 0 HG2 ARG A 38 21.748 -3.022 9.280 1.00 25.00 H new ATOM 0 HG3 ARG A 38 20.652 -3.860 8.199 1.00 25.00 H new ATOM 0 HD2 ARG A 38 22.623 -5.268 7.410 1.00 25.00 H new ATOM 0 HD3 ARG A 38 23.597 -4.509 8.654 1.00 25.00 H new ATOM 0 HE ARG A 38 21.237 -5.557 9.892 1.00 25.00 H new ATOM 0 HH11 ARG A 38 24.218 -6.741 8.367 1.00 25.00 H new ATOM 0 HH12 ARG A 38 24.192 -8.240 9.301 1.00 25.00 H new ATOM 0 HH21 ARG A 38 21.268 -7.461 11.014 1.00 25.00 H new ATOM 0 HH22 ARG A 38 22.563 -8.637 10.761 1.00 25.00 H new ATOM 590 N SER A 39 19.029 -0.743 6.341 1.00 25.00 N ATOM 591 CA SER A 39 17.620 -0.792 5.899 1.00 25.00 C ATOM 592 C SER A 39 16.685 -1.369 6.973 1.00 25.00 C ATOM 593 O SER A 39 17.118 -2.122 7.855 1.00 25.00 O ATOM 594 CB SER A 39 17.462 -1.534 4.555 1.00 25.00 C ATOM 595 OG SER A 39 17.369 -2.933 4.736 1.00 25.00 O ATOM 0 H SER A 39 19.327 0.206 6.567 1.00 25.00 H new ATOM 0 HA SER A 39 17.315 0.242 5.739 1.00 25.00 H new ATOM 0 HB2 SER A 39 16.570 -1.173 4.043 1.00 25.00 H new ATOM 0 HB3 SER A 39 18.312 -1.306 3.912 1.00 25.00 H new ATOM 0 HG SER A 39 17.977 -3.211 5.452 1.00 25.00 H new ATOM 601 N PRO A 40 15.409 -0.937 6.975 1.00 25.00 N ATOM 602 CA PRO A 40 14.473 -1.414 7.995 1.00 25.00 C ATOM 603 C PRO A 40 13.928 -2.811 7.699 1.00 25.00 C ATOM 604 O PRO A 40 14.124 -3.360 6.619 1.00 25.00 O ATOM 605 CB PRO A 40 13.354 -0.375 7.924 1.00 25.00 C ATOM 606 CG PRO A 40 13.319 -0.006 6.494 1.00 25.00 C ATOM 607 CD PRO A 40 14.753 0.027 6.065 1.00 25.00 C ATOM 0 HA PRO A 40 14.943 -1.510 8.974 1.00 25.00 H new ATOM 0 HB2 PRO A 40 12.401 -0.787 8.256 1.00 25.00 H new ATOM 0 HB3 PRO A 40 13.566 0.487 8.556 1.00 25.00 H new ATOM 0 HG2 PRO A 40 12.750 -0.732 5.913 1.00 25.00 H new ATOM 0 HG3 PRO A 40 12.841 0.963 6.348 1.00 25.00 H new ATOM 0 HD2 PRO A 40 14.866 -0.266 5.021 1.00 25.00 H new ATOM 0 HD3 PRO A 40 15.179 1.026 6.164 1.00 25.00 H new ATOM 615 N GLN A 41 13.209 -3.367 8.664 1.00 25.00 N ATOM 616 CA GLN A 41 12.549 -4.653 8.490 1.00 25.00 C ATOM 617 C GLN A 41 11.335 -4.446 7.571 1.00 25.00 C ATOM 618 O GLN A 41 10.957 -3.316 7.270 1.00 25.00 O ATOM 619 CB GLN A 41 12.125 -5.193 9.868 1.00 25.00 C ATOM 620 CG GLN A 41 11.819 -6.700 9.916 1.00 25.00 C ATOM 621 CD GLN A 41 11.605 -7.197 11.328 1.00 25.00 C ATOM 622 OE1 GLN A 41 12.445 -7.011 12.191 1.00 25.00 O ATOM 623 NE2 GLN A 41 10.486 -7.829 11.569 1.00 25.00 N ATOM 0 H GLN A 41 13.067 -2.944 9.581 1.00 25.00 H new ATOM 0 HA GLN A 41 13.218 -5.383 8.035 1.00 25.00 H new ATOM 0 HB2 GLN A 41 12.917 -4.977 10.585 1.00 25.00 H new ATOM 0 HB3 GLN A 41 11.240 -4.648 10.197 1.00 25.00 H new ATOM 0 HG2 GLN A 41 10.929 -6.907 9.321 1.00 25.00 H new ATOM 0 HG3 GLN A 41 12.642 -7.250 9.460 1.00 25.00 H new ATOM 0 HE21 GLN A 41 9.806 -7.966 10.821 1.00 25.00 H new ATOM 0 HE22 GLN A 41 10.293 -8.185 12.505 1.00 25.00 H new ATOM 632 N ARG A 42 10.725 -5.544 7.150 1.00 25.00 N ATOM 633 CA ARG A 42 9.525 -5.520 6.308 1.00 25.00 C ATOM 634 C ARG A 42 8.367 -4.797 7.005 1.00 25.00 C ATOM 635 O ARG A 42 8.387 -4.564 8.209 1.00 25.00 O ATOM 636 CB ARG A 42 9.061 -6.954 6.047 1.00 25.00 C ATOM 637 CG ARG A 42 10.024 -7.874 5.309 1.00 25.00 C ATOM 638 CD ARG A 42 9.461 -9.272 5.465 1.00 25.00 C ATOM 639 NE ARG A 42 10.185 -10.345 4.773 1.00 25.00 N ATOM 640 CZ ARG A 42 9.885 -11.637 4.893 1.00 25.00 C ATOM 641 NH1 ARG A 42 8.925 -12.064 5.683 1.00 25.00 N ATOM 642 NH2 ARG A 42 10.562 -12.517 4.209 1.00 25.00 N ATOM 0 H ARG A 42 11.046 -6.484 7.381 1.00 25.00 H new ATOM 0 HA ARG A 42 9.783 -5.001 5.385 1.00 25.00 H new ATOM 0 HB2 ARG A 42 8.825 -7.413 7.007 1.00 25.00 H new ATOM 0 HB3 ARG A 42 8.133 -6.910 5.478 1.00 25.00 H new ATOM 0 HG2 ARG A 42 10.100 -7.598 4.257 1.00 25.00 H new ATOM 0 HG3 ARG A 42 11.028 -7.808 5.729 1.00 25.00 H new ATOM 0 HD2 ARG A 42 9.429 -9.511 6.528 1.00 25.00 H new ATOM 0 HD3 ARG A 42 8.431 -9.268 5.108 1.00 25.00 H new ATOM 0 HE ARG A 42 10.962 -10.086 4.165 1.00 25.00 H new ATOM 0 HH11 ARG A 42 8.381 -11.397 6.230 1.00 25.00 H new ATOM 0 HH12 ARG A 42 8.724 -13.062 5.749 1.00 25.00 H new ATOM 0 HH21 ARG A 42 11.313 -12.213 3.589 1.00 25.00 H new ATOM 0 HH22 ARG A 42 10.340 -13.509 4.294 1.00 25.00 H new ATOM 656 N GLY A 43 7.325 -4.521 6.237 1.00 25.00 N ATOM 657 CA GLY A 43 6.111 -3.948 6.791 1.00 25.00 C ATOM 658 C GLY A 43 4.964 -3.991 5.803 1.00 25.00 C ATOM 659 O GLY A 43 4.002 -4.728 5.993 1.00 25.00 O ATOM 0 H GLY A 43 7.296 -4.684 5.231 1.00 25.00 H new ATOM 0 HA2 GLY A 43 5.833 -4.491 7.694 1.00 25.00 H new ATOM 0 HA3 GLY A 43 6.298 -2.915 7.085 1.00 25.00 H new ATOM 663 N ILE A 44 5.069 -3.221 4.728 1.00 25.00 N ATOM 664 CA ILE A 44 4.003 -3.172 3.716 1.00 25.00 C ATOM 665 C ILE A 44 3.910 -4.529 3.011 1.00 25.00 C ATOM 666 O ILE A 44 2.831 -4.990 2.681 1.00 25.00 O ATOM 667 CB ILE A 44 4.248 -2.008 2.685 1.00 25.00 C ATOM 668 CG1 ILE A 44 3.071 -1.851 1.708 1.00 25.00 C ATOM 669 CG2 ILE A 44 5.500 -2.258 1.831 1.00 25.00 C ATOM 670 CD1 ILE A 44 1.906 -1.036 2.187 1.00 25.00 C ATOM 0 H ILE A 44 5.871 -2.624 4.528 1.00 25.00 H new ATOM 0 HA ILE A 44 3.054 -2.964 4.210 1.00 25.00 H new ATOM 0 HB ILE A 44 4.367 -1.108 3.288 1.00 25.00 H new ATOM 0 HG12 ILE A 44 3.448 -1.400 0.790 1.00 25.00 H new ATOM 0 HG13 ILE A 44 2.708 -2.846 1.449 1.00 25.00 H new ATOM 0 HG21 ILE A 44 5.634 -1.432 1.132 1.00 25.00 H new ATOM 0 HG22 ILE A 44 6.374 -2.331 2.479 1.00 25.00 H new ATOM 0 HG23 ILE A 44 5.382 -3.188 1.275 1.00 25.00 H new ATOM 0 HD11 ILE A 44 1.143 -1.000 1.409 1.00 25.00 H new ATOM 0 HD12 ILE A 44 1.488 -1.491 3.085 1.00 25.00 H new ATOM 0 HD13 ILE A 44 2.239 -0.024 2.415 1.00 25.00 H new ATOM 682 N VAL A 45 5.043 -5.189 2.826 1.00 25.00 N ATOM 683 CA VAL A 45 5.072 -6.475 2.131 1.00 25.00 C ATOM 684 C VAL A 45 4.314 -7.518 2.941 1.00 25.00 C ATOM 685 O VAL A 45 3.586 -8.337 2.412 1.00 25.00 O ATOM 686 CB VAL A 45 6.540 -6.955 1.913 1.00 25.00 C ATOM 687 CG1 VAL A 45 6.584 -8.201 1.019 1.00 25.00 C ATOM 688 CG2 VAL A 45 7.377 -5.841 1.270 1.00 25.00 C ATOM 0 H VAL A 45 5.954 -4.860 3.145 1.00 25.00 H new ATOM 0 HA VAL A 45 4.597 -6.348 1.158 1.00 25.00 H new ATOM 0 HB VAL A 45 6.956 -7.206 2.889 1.00 25.00 H new ATOM 0 HG11 VAL A 45 7.619 -8.515 0.883 1.00 25.00 H new ATOM 0 HG12 VAL A 45 6.019 -9.006 1.489 1.00 25.00 H new ATOM 0 HG13 VAL A 45 6.145 -7.968 0.049 1.00 25.00 H new ATOM 0 HG21 VAL A 45 8.399 -6.192 1.124 1.00 25.00 H new ATOM 0 HG22 VAL A 45 6.945 -5.572 0.306 1.00 25.00 H new ATOM 0 HG23 VAL A 45 7.383 -4.968 1.922 1.00 25.00 H new ATOM 698 N GLU A 46 4.470 -7.473 4.249 1.00 25.00 N ATOM 699 CA GLU A 46 3.823 -8.454 5.105 1.00 25.00 C ATOM 700 C GLU A 46 2.327 -8.215 5.202 1.00 25.00 C ATOM 701 O GLU A 46 1.557 -9.160 5.254 1.00 25.00 O ATOM 702 CB GLU A 46 4.523 -8.486 6.456 1.00 25.00 C ATOM 703 CG GLU A 46 5.872 -9.174 6.290 1.00 25.00 C ATOM 704 CD GLU A 46 6.696 -9.248 7.554 1.00 25.00 C ATOM 705 OE1 GLU A 46 6.765 -8.243 8.287 1.00 25.00 O ATOM 706 OE2 GLU A 46 7.427 -10.254 7.704 1.00 25.00 O ATOM 0 H GLU A 46 5.032 -6.778 4.740 1.00 25.00 H new ATOM 0 HA GLU A 46 3.921 -9.445 4.662 1.00 25.00 H new ATOM 0 HB2 GLU A 46 4.659 -7.473 6.835 1.00 25.00 H new ATOM 0 HB3 GLU A 46 3.913 -9.020 7.185 1.00 25.00 H new ATOM 0 HG2 GLU A 46 5.707 -10.186 5.919 1.00 25.00 H new ATOM 0 HG3 GLU A 46 6.445 -8.645 5.528 1.00 25.00 H new ATOM 713 N GLU A 47 1.905 -6.962 5.169 1.00 25.00 N ATOM 714 CA GLU A 47 0.478 -6.656 5.217 1.00 25.00 C ATOM 715 C GLU A 47 -0.240 -6.755 3.868 1.00 25.00 C ATOM 716 O GLU A 47 -1.418 -7.074 3.838 1.00 25.00 O ATOM 717 CB GLU A 47 0.271 -5.263 5.803 1.00 25.00 C ATOM 718 CG GLU A 47 -0.493 -5.292 7.122 1.00 25.00 C ATOM 719 CD GLU A 47 0.192 -6.123 8.170 1.00 25.00 C ATOM 720 OE1 GLU A 47 -0.309 -7.099 8.680 1.00 25.00 O ATOM 721 OE2 GLU A 47 1.372 -5.686 8.481 1.00 25.00 O ATOM 0 H GLU A 47 2.517 -6.148 5.110 1.00 25.00 H new ATOM 0 HA GLU A 47 0.032 -7.422 5.852 1.00 25.00 H new ATOM 0 HB2 GLU A 47 1.241 -4.790 5.959 1.00 25.00 H new ATOM 0 HB3 GLU A 47 -0.272 -4.648 5.086 1.00 25.00 H new ATOM 0 HG2 GLU A 47 -0.611 -4.273 7.491 1.00 25.00 H new ATOM 0 HG3 GLU A 47 -1.494 -5.686 6.949 1.00 25.00 H new ATOM 728 N CYS A 48 0.442 -6.448 2.772 1.00 25.00 N ATOM 729 CA CYS A 48 -0.199 -6.408 1.450 1.00 25.00 C ATOM 730 C CYS A 48 0.209 -7.503 0.462 1.00 25.00 C ATOM 731 O CYS A 48 -0.469 -7.676 -0.532 1.00 25.00 O ATOM 732 CB CYS A 48 0.061 -5.053 0.785 1.00 25.00 C ATOM 733 SG CYS A 48 -0.780 -3.651 1.590 1.00 25.00 S ATOM 0 H CYS A 48 1.437 -6.223 2.765 1.00 25.00 H new ATOM 0 HA CYS A 48 -1.253 -6.579 1.668 1.00 25.00 H new ATOM 0 HB2 CYS A 48 1.134 -4.864 0.780 1.00 25.00 H new ATOM 0 HB3 CYS A 48 -0.259 -5.105 -0.256 1.00 25.00 H new ATOM 738 N CYS A 49 1.296 -8.224 0.707 1.00 25.00 N ATOM 739 CA CYS A 49 1.721 -9.299 -0.209 1.00 25.00 C ATOM 740 C CYS A 49 1.573 -10.667 0.458 1.00 25.00 C ATOM 741 O CYS A 49 0.967 -11.570 -0.104 1.00 25.00 O ATOM 742 CB CYS A 49 3.172 -9.086 -0.660 1.00 25.00 C ATOM 743 SG CYS A 49 3.803 -10.384 -1.772 1.00 25.00 S ATOM 0 H CYS A 49 1.899 -8.094 1.519 1.00 25.00 H new ATOM 0 HA CYS A 49 1.076 -9.268 -1.087 1.00 25.00 H new ATOM 0 HB2 CYS A 49 3.247 -8.123 -1.164 1.00 25.00 H new ATOM 0 HB3 CYS A 49 3.811 -9.035 0.221 1.00 25.00 H new ATOM 748 N PHE A 50 2.090 -10.803 1.673 1.00 25.00 N ATOM 749 CA PHE A 50 1.939 -12.053 2.429 1.00 25.00 C ATOM 750 C PHE A 50 0.531 -12.145 3.021 1.00 25.00 C ATOM 751 O PHE A 50 0.095 -13.206 3.461 1.00 25.00 O ATOM 752 CB PHE A 50 2.975 -12.135 3.555 1.00 25.00 C ATOM 753 CG PHE A 50 4.382 -12.387 3.072 1.00 25.00 C ATOM 754 CD1 PHE A 50 5.320 -11.337 2.991 1.00 25.00 C ATOM 755 CD2 PHE A 50 4.780 -13.684 2.701 1.00 25.00 C ATOM 756 CE1 PHE A 50 6.648 -11.582 2.556 1.00 25.00 C ATOM 757 CE2 PHE A 50 6.103 -13.939 2.255 1.00 25.00 C ATOM 758 CZ PHE A 50 7.038 -12.884 2.187 1.00 25.00 C ATOM 0 H PHE A 50 2.614 -10.074 2.158 1.00 25.00 H new ATOM 0 HA PHE A 50 2.098 -12.886 1.744 1.00 25.00 H new ATOM 0 HB2 PHE A 50 2.957 -11.204 4.121 1.00 25.00 H new ATOM 0 HB3 PHE A 50 2.689 -12.931 4.242 1.00 25.00 H new ATOM 0 HD1 PHE A 50 5.024 -10.335 3.263 1.00 25.00 H new ATOM 0 HD2 PHE A 50 4.070 -14.496 2.756 1.00 25.00 H new ATOM 0 HE1 PHE A 50 7.359 -10.771 2.508 1.00 25.00 H new ATOM 0 HE2 PHE A 50 6.394 -14.939 1.968 1.00 25.00 H new ATOM 0 HZ PHE A 50 8.048 -13.074 1.854 1.00 25.00 H new ATOM 768 N ARG A 51 -0.173 -11.023 3.014 1.00 25.00 N ATOM 769 CA ARG A 51 -1.555 -10.944 3.477 1.00 25.00 C ATOM 770 C ARG A 51 -2.283 -10.041 2.514 1.00 25.00 C ATOM 771 O ARG A 51 -1.672 -9.461 1.632 1.00 25.00 O ATOM 772 CB ARG A 51 -1.644 -10.328 4.870 1.00 25.00 C ATOM 773 CG ARG A 51 -1.045 -11.155 5.963 1.00 25.00 C ATOM 774 CD ARG A 51 -1.272 -10.435 7.263 1.00 25.00 C ATOM 775 NE ARG A 51 -2.483 -10.911 7.949 1.00 25.00 N ATOM 776 CZ ARG A 51 -2.996 -10.371 9.048 1.00 25.00 C ATOM 777 NH1 ARG A 51 -2.463 -9.322 9.631 1.00 25.00 N ATOM 778 NH2 ARG A 51 -4.070 -10.896 9.571 1.00 25.00 N ATOM 0 H ARG A 51 0.200 -10.133 2.684 1.00 25.00 H new ATOM 0 HA ARG A 51 -1.983 -11.945 3.522 1.00 25.00 H new ATOM 0 HB2 ARG A 51 -1.148 -9.358 4.855 1.00 25.00 H new ATOM 0 HB3 ARG A 51 -2.693 -10.146 5.105 1.00 25.00 H new ATOM 0 HG2 ARG A 51 -1.504 -12.143 5.989 1.00 25.00 H new ATOM 0 HG3 ARG A 51 0.021 -11.303 5.789 1.00 25.00 H new ATOM 0 HD2 ARG A 51 -0.408 -10.576 7.912 1.00 25.00 H new ATOM 0 HD3 ARG A 51 -1.358 -9.365 7.075 1.00 25.00 H new ATOM 0 HE ARG A 51 -2.965 -11.717 7.550 1.00 25.00 H new ATOM 0 HH11 ARG A 51 -1.624 -8.892 9.240 1.00 25.00 H new ATOM 0 HH12 ARG A 51 -2.888 -8.937 10.475 1.00 25.00 H new ATOM 0 HH21 ARG A 51 -4.504 -11.710 9.136 1.00 25.00 H new ATOM 0 HH22 ARG A 51 -4.476 -10.492 10.415 1.00 25.00 H new ATOM 792 N SER A 52 -3.576 -9.896 2.723 1.00 25.00 N ATOM 793 CA SER A 52 -4.396 -9.000 1.918 1.00 25.00 C ATOM 794 C SER A 52 -4.537 -7.682 2.664 1.00 25.00 C ATOM 795 O SER A 52 -4.612 -7.674 3.895 1.00 25.00 O ATOM 796 CB SER A 52 -5.775 -9.618 1.708 1.00 25.00 C ATOM 797 OG SER A 52 -6.357 -9.942 2.961 1.00 25.00 O ATOM 0 H SER A 52 -4.090 -10.392 3.451 1.00 25.00 H new ATOM 0 HA SER A 52 -3.930 -8.835 0.946 1.00 25.00 H new ATOM 0 HB2 SER A 52 -6.417 -8.921 1.169 1.00 25.00 H new ATOM 0 HB3 SER A 52 -5.691 -10.515 1.094 1.00 25.00 H new ATOM 0 HG SER A 52 -7.243 -10.337 2.818 1.00 25.00 H new ATOM 803 N CYS A 53 -4.625 -6.581 1.933 1.00 25.00 N ATOM 804 CA CYS A 53 -4.806 -5.266 2.540 1.00 25.00 C ATOM 805 C CYS A 53 -5.735 -4.443 1.663 1.00 25.00 C ATOM 806 O CYS A 53 -6.157 -4.896 0.603 1.00 25.00 O ATOM 807 CB CYS A 53 -3.458 -4.553 2.691 1.00 25.00 C ATOM 808 SG CYS A 53 -2.736 -3.948 1.131 1.00 25.00 S ATOM 0 H CYS A 53 -4.574 -6.570 0.914 1.00 25.00 H new ATOM 0 HA CYS A 53 -5.241 -5.383 3.532 1.00 25.00 H new ATOM 0 HB2 CYS A 53 -3.583 -3.709 3.369 1.00 25.00 H new ATOM 0 HB3 CYS A 53 -2.751 -5.237 3.161 1.00 25.00 H new ATOM 813 N ASP A 54 -6.034 -3.230 2.101 1.00 25.00 N ATOM 814 CA ASP A 54 -6.861 -2.313 1.332 1.00 25.00 C ATOM 815 C ASP A 54 -6.167 -0.965 1.347 1.00 25.00 C ATOM 816 O ASP A 54 -5.293 -0.738 2.187 1.00 25.00 O ATOM 817 CB ASP A 54 -8.264 -2.210 1.929 1.00 25.00 C ATOM 818 CG ASP A 54 -9.322 -1.995 0.870 1.00 25.00 C ATOM 819 OD1 ASP A 54 -10.391 -2.626 0.953 1.00 25.00 O ATOM 820 OD2 ASP A 54 -9.036 -1.286 -0.117 1.00 25.00 O ATOM 0 H ASP A 54 -5.713 -2.855 2.994 1.00 25.00 H new ATOM 0 HA ASP A 54 -6.980 -2.672 0.310 1.00 25.00 H new ATOM 0 HB2 ASP A 54 -8.488 -3.121 2.484 1.00 25.00 H new ATOM 0 HB3 ASP A 54 -8.294 -1.386 2.642 1.00 25.00 H new ATOM 825 N LEU A 55 -6.542 -0.080 0.433 1.00 25.00 N ATOM 826 CA LEU A 55 -5.885 1.222 0.274 1.00 25.00 C ATOM 827 C LEU A 55 -5.871 2.054 1.559 1.00 25.00 C ATOM 828 O LEU A 55 -4.934 2.803 1.799 1.00 25.00 O ATOM 829 CB LEU A 55 -6.550 2.011 -0.864 1.00 25.00 C ATOM 830 CG LEU A 55 -8.022 2.426 -0.672 1.00 25.00 C ATOM 831 CD1 LEU A 55 -8.123 3.923 -0.366 1.00 25.00 C ATOM 832 CD2 LEU A 55 -8.831 2.095 -1.918 1.00 25.00 C ATOM 0 H LEU A 55 -7.309 -0.239 -0.221 1.00 25.00 H new ATOM 0 HA LEU A 55 -4.843 1.019 0.027 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -5.965 2.914 -1.035 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -6.484 1.412 -1.772 1.00 25.00 H new ATOM 0 HG LEU A 55 -8.428 1.869 0.172 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -9.170 4.198 -0.234 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -7.571 4.146 0.547 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -7.700 4.493 -1.193 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -9.869 2.394 -1.768 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -8.419 2.632 -2.773 1.00 25.00 H new ATOM 0 HD23 LEU A 55 -8.786 1.022 -2.107 1.00 25.00 H new ATOM 844 N ALA A 56 -6.885 1.894 2.399 1.00 25.00 N ATOM 845 CA ALA A 56 -6.949 2.629 3.659 1.00 25.00 C ATOM 846 C ALA A 56 -5.803 2.211 4.591 1.00 25.00 C ATOM 847 O ALA A 56 -5.122 3.051 5.169 1.00 25.00 O ATOM 848 CB ALA A 56 -8.308 2.387 4.333 1.00 25.00 C ATOM 0 H ALA A 56 -7.671 1.266 2.234 1.00 25.00 H new ATOM 0 HA ALA A 56 -6.841 3.693 3.450 1.00 25.00 H new ATOM 0 HB1 ALA A 56 -8.351 2.937 5.273 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -9.107 2.729 3.675 1.00 25.00 H new ATOM 0 HB3 ALA A 56 -8.432 1.322 4.530 1.00 25.00 H new ATOM 854 N LEU A 57 -5.588 0.908 4.721 1.00 25.00 N ATOM 855 CA LEU A 57 -4.512 0.387 5.559 1.00 25.00 C ATOM 856 C LEU A 57 -3.172 0.711 4.925 1.00 25.00 C ATOM 857 O LEU A 57 -2.211 1.069 5.592 1.00 25.00 O ATOM 858 CB LEU A 57 -4.654 -1.134 5.700 1.00 25.00 C ATOM 859 CG LEU A 57 -3.579 -1.766 6.596 1.00 25.00 C ATOM 860 CD1 LEU A 57 -4.204 -2.849 7.458 1.00 25.00 C ATOM 861 CD2 LEU A 57 -2.425 -2.357 5.774 1.00 25.00 C ATOM 0 H LEU A 57 -6.145 0.190 4.257 1.00 25.00 H new ATOM 0 HA LEU A 57 -4.571 0.848 6.545 1.00 25.00 H new ATOM 0 HB2 LEU A 57 -5.638 -1.363 6.109 1.00 25.00 H new ATOM 0 HB3 LEU A 57 -4.606 -1.589 4.711 1.00 25.00 H new ATOM 0 HG LEU A 57 -3.167 -0.979 7.228 1.00 25.00 H new ATOM 0 HD11 LEU A 57 -3.439 -3.296 8.093 1.00 25.00 H new ATOM 0 HD12 LEU A 57 -4.984 -2.412 8.082 1.00 25.00 H new ATOM 0 HD13 LEU A 57 -4.639 -3.617 6.819 1.00 25.00 H new ATOM 0 HD21 LEU A 57 -1.686 -2.794 6.446 1.00 25.00 H new ATOM 0 HD22 LEU A 57 -2.811 -3.128 5.108 1.00 25.00 H new ATOM 0 HD23 LEU A 57 -1.957 -1.569 5.184 1.00 25.00 H new ATOM 873 N LEU A 58 -3.119 0.563 3.616 1.00 25.00 N ATOM 874 CA LEU A 58 -1.909 0.793 2.852 1.00 25.00 C ATOM 875 C LEU A 58 -1.404 2.224 3.057 1.00 25.00 C ATOM 876 O LEU A 58 -0.212 2.450 3.263 1.00 25.00 O ATOM 877 CB LEU A 58 -2.247 0.539 1.385 1.00 25.00 C ATOM 878 CG LEU A 58 -1.142 0.313 0.360 1.00 25.00 C ATOM 879 CD1 LEU A 58 -1.793 0.223 -0.957 1.00 25.00 C ATOM 880 CD2 LEU A 58 -0.126 1.418 0.309 1.00 25.00 C ATOM 0 H LEU A 58 -3.918 0.278 3.050 1.00 25.00 H new ATOM 0 HA LEU A 58 -1.113 0.125 3.181 1.00 25.00 H new ATOM 0 HB2 LEU A 58 -2.898 -0.334 1.352 1.00 25.00 H new ATOM 0 HB3 LEU A 58 -2.836 1.389 1.040 1.00 25.00 H new ATOM 0 HG LEU A 58 -0.603 -0.591 0.642 1.00 25.00 H new ATOM 0 HD11 LEU A 58 -1.038 0.061 -1.726 1.00 25.00 H new ATOM 0 HD12 LEU A 58 -2.497 -0.609 -0.959 1.00 25.00 H new ATOM 0 HD13 LEU A 58 -2.327 1.151 -1.163 1.00 25.00 H new ATOM 0 HD21 LEU A 58 0.627 1.185 -0.443 1.00 25.00 H new ATOM 0 HD22 LEU A 58 -0.620 2.355 0.050 1.00 25.00 H new ATOM 0 HD23 LEU A 58 0.353 1.517 1.283 1.00 25.00 H new ATOM 892 N GLU A 59 -2.318 3.182 3.034 1.00 25.00 N ATOM 893 CA GLU A 59 -1.956 4.595 3.175 1.00 25.00 C ATOM 894 C GLU A 59 -1.252 4.918 4.518 1.00 25.00 C ATOM 895 O GLU A 59 -0.544 5.878 4.637 1.00 25.00 O ATOM 896 CB GLU A 59 -3.208 5.473 3.019 1.00 25.00 C ATOM 897 CG GLU A 59 -2.878 6.950 2.885 1.00 25.00 C ATOM 898 CD GLU A 59 -4.073 7.780 2.519 1.00 25.00 C ATOM 899 OE1 GLU A 59 -5.028 7.913 3.231 1.00 25.00 O ATOM 900 OE2 GLU A 59 -3.953 8.397 1.381 1.00 25.00 O ATOM 0 H GLU A 59 -3.317 3.013 2.919 1.00 25.00 H new ATOM 0 HA GLU A 59 -1.238 4.813 2.385 1.00 25.00 H new ATOM 0 HB2 GLU A 59 -3.766 5.149 2.141 1.00 25.00 H new ATOM 0 HB3 GLU A 59 -3.858 5.327 3.882 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -2.464 7.312 3.826 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -2.106 7.078 2.126 1.00 25.00 H new ATOM 907 N THR A 60 -1.419 4.052 5.502 1.00 25.00 N ATOM 908 CA THR A 60 -0.749 4.178 6.815 1.00 25.00 C ATOM 909 C THR A 60 0.779 4.030 6.741 1.00 25.00 C ATOM 910 O THR A 60 1.483 4.368 7.705 1.00 25.00 O ATOM 911 CB THR A 60 -1.398 3.324 7.908 1.00 25.00 C ATOM 912 OG1 THR A 60 -1.024 1.957 7.768 1.00 25.00 O ATOM 913 CG2 THR A 60 -2.912 3.461 7.836 1.00 25.00 C ATOM 0 H THR A 60 -2.023 3.233 5.427 1.00 25.00 H new ATOM 0 HA THR A 60 -0.913 5.210 7.125 1.00 25.00 H new ATOM 0 HB THR A 60 -1.050 3.677 8.879 1.00 25.00 H new ATOM 0 HG1 THR A 60 -1.608 1.524 7.111 1.00 25.00 H new ATOM 0 HG21 THR A 60 -3.370 2.852 8.615 1.00 25.00 H new ATOM 0 HG22 THR A 60 -3.190 4.505 7.981 1.00 25.00 H new ATOM 0 HG23 THR A 60 -3.262 3.125 6.860 1.00 25.00 H new ATOM 921 N TYR A 61 1.278 3.481 5.633 1.00 25.00 N ATOM 922 CA TYR A 61 2.722 3.377 5.385 1.00 25.00 C ATOM 923 C TYR A 61 3.274 4.627 4.661 1.00 25.00 C ATOM 924 O TYR A 61 4.464 4.707 4.347 1.00 25.00 O ATOM 925 CB TYR A 61 2.997 2.136 4.539 1.00 25.00 C ATOM 926 CG TYR A 61 2.755 0.853 5.299 1.00 25.00 C ATOM 927 CD1 TYR A 61 1.451 0.332 5.460 1.00 25.00 C ATOM 928 CD2 TYR A 61 3.829 0.159 5.874 1.00 25.00 C ATOM 929 CE1 TYR A 61 1.233 -0.868 6.181 1.00 25.00 C ATOM 930 CE2 TYR A 61 3.616 -1.041 6.592 1.00 25.00 C ATOM 931 CZ TYR A 61 2.320 -1.547 6.734 1.00 25.00 C ATOM 932 OH TYR A 61 2.126 -2.718 7.424 1.00 25.00 O ATOM 0 H TYR A 61 0.700 3.097 4.885 1.00 25.00 H new ATOM 0 HA TYR A 61 3.226 3.302 6.349 1.00 25.00 H new ATOM 0 HB2 TYR A 61 2.361 2.156 3.654 1.00 25.00 H new ATOM 0 HB3 TYR A 61 4.030 2.159 4.191 1.00 25.00 H new ATOM 0 HD1 TYR A 61 0.611 0.855 5.028 1.00 25.00 H new ATOM 0 HD2 TYR A 61 4.832 0.546 5.767 1.00 25.00 H new ATOM 0 HE1 TYR A 61 0.232 -1.255 6.302 1.00 25.00 H new ATOM 0 HE2 TYR A 61 4.453 -1.565 7.030 1.00 25.00 H new ATOM 0 HH TYR A 61 2.662 -3.430 7.017 1.00 25.00 H new ATOM 942 N CYS A 62 2.410 5.603 4.409 1.00 25.00 N ATOM 943 CA CYS A 62 2.820 6.887 3.823 1.00 25.00 C ATOM 944 C CYS A 62 3.728 7.635 4.800 1.00 25.00 C ATOM 945 O CYS A 62 3.650 7.431 6.006 1.00 25.00 O ATOM 946 CB CYS A 62 1.585 7.738 3.531 1.00 25.00 C ATOM 947 SG CYS A 62 1.859 9.254 2.569 1.00 25.00 S ATOM 0 H CYS A 62 1.411 5.534 4.601 1.00 25.00 H new ATOM 0 HA CYS A 62 3.361 6.698 2.896 1.00 25.00 H new ATOM 0 HB2 CYS A 62 0.863 7.120 2.997 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.128 8.014 4.481 1.00 25.00 H new ATOM 952 N ALA A 63 4.579 8.504 4.275 1.00 25.00 N ATOM 953 CA ALA A 63 5.508 9.260 5.100 1.00 25.00 C ATOM 954 C ALA A 63 4.784 10.361 5.881 1.00 25.00 C ATOM 955 O ALA A 63 5.136 10.658 7.023 1.00 25.00 O ATOM 956 CB ALA A 63 6.589 9.853 4.225 1.00 25.00 C ATOM 0 H ALA A 63 4.645 8.703 3.277 1.00 25.00 H new ATOM 0 HA ALA A 63 5.961 8.585 5.826 1.00 25.00 H new ATOM 0 HB1 ALA A 63 7.286 10.420 4.842 1.00 25.00 H new ATOM 0 HB2 ALA A 63 7.124 9.052 3.715 1.00 25.00 H new ATOM 0 HB3 ALA A 63 6.137 10.515 3.486 1.00 25.00 H new ATOM 962 N THR A 64 3.768 10.961 5.275 1.00 25.00 N ATOM 963 CA THR A 64 2.976 11.962 5.980 1.00 25.00 C ATOM 964 C THR A 64 2.132 11.260 7.035 1.00 25.00 C ATOM 965 O THR A 64 1.771 10.093 6.877 1.00 25.00 O ATOM 966 CB THR A 64 2.054 12.755 5.048 1.00 25.00 C ATOM 967 OG1 THR A 64 1.334 11.857 4.201 1.00 25.00 O ATOM 968 CG2 THR A 64 2.857 13.708 4.207 1.00 25.00 C ATOM 0 H THR A 64 3.476 10.778 4.315 1.00 25.00 H new ATOM 0 HA THR A 64 3.668 12.673 6.430 1.00 25.00 H new ATOM 0 HB THR A 64 1.350 13.325 5.654 1.00 25.00 H new ATOM 0 HG1 THR A 64 1.958 11.220 3.794 1.00 25.00 H new ATOM 0 HG21 THR A 64 2.189 14.265 3.550 1.00 25.00 H new ATOM 0 HG22 THR A 64 3.391 14.403 4.855 1.00 25.00 H new ATOM 0 HG23 THR A 64 3.574 13.148 3.606 1.00 25.00 H new ATOM 976 N PRO A 65 1.816 11.960 8.132 1.00 25.00 N ATOM 977 CA PRO A 65 1.121 11.307 9.240 1.00 25.00 C ATOM 978 C PRO A 65 -0.367 11.108 9.012 1.00 25.00 C ATOM 979 O PRO A 65 -0.945 11.577 8.029 1.00 25.00 O ATOM 980 CB PRO A 65 1.373 12.269 10.396 1.00 25.00 C ATOM 981 CG PRO A 65 1.386 13.577 9.759 1.00 25.00 C ATOM 982 CD PRO A 65 2.106 13.372 8.446 1.00 25.00 C ATOM 0 HA PRO A 65 1.485 10.292 9.401 1.00 25.00 H new ATOM 0 HB2 PRO A 65 0.591 12.200 11.152 1.00 25.00 H new ATOM 0 HB3 PRO A 65 2.319 12.057 10.895 1.00 25.00 H new ATOM 0 HG2 PRO A 65 0.373 13.947 9.599 1.00 25.00 H new ATOM 0 HG3 PRO A 65 1.900 14.312 10.379 1.00 25.00 H new ATOM 0 HD2 PRO A 65 1.734 14.043 7.672 1.00 25.00 H new ATOM 0 HD3 PRO A 65 3.177 13.554 8.539 1.00 25.00 H new ATOM 990 N ALA A 66 -0.988 10.430 9.965 1.00 25.00 N ATOM 991 CA ALA A 66 -2.412 10.082 9.911 1.00 25.00 C ATOM 992 C ALA A 66 -3.332 11.257 10.288 1.00 25.00 C ATOM 993 O ALA A 66 -4.196 11.122 11.150 1.00 25.00 O ATOM 994 CB ALA A 66 -2.672 8.885 10.842 1.00 25.00 C ATOM 0 H ALA A 66 -0.519 10.100 10.808 1.00 25.00 H new ATOM 0 HA ALA A 66 -2.649 9.823 8.879 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -3.729 8.620 10.808 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -2.074 8.034 10.516 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -2.398 9.152 11.863 1.00 25.00 H new ATOM 1000 N LYS A 67 -3.115 12.404 9.648 1.00 25.00 N ATOM 1001 CA LYS A 67 -3.910 13.630 9.864 1.00 25.00 C ATOM 1002 C LYS A 67 -3.923 14.076 11.338 1.00 25.00 C ATOM 1003 O LYS A 67 -4.857 14.725 11.798 1.00 25.00 O ATOM 1004 CB LYS A 67 -5.346 13.412 9.349 1.00 25.00 C ATOM 1005 CG LYS A 67 -6.051 14.682 8.876 1.00 25.00 C ATOM 1006 CD LYS A 67 -7.514 14.400 8.570 1.00 25.00 C ATOM 1007 CE LYS A 67 -8.231 15.665 8.110 1.00 25.00 C ATOM 1008 NZ LYS A 67 -9.694 15.408 7.870 1.00 25.00 N ATOM 0 H LYS A 67 -2.375 12.519 8.955 1.00 25.00 H new ATOM 0 HA LYS A 67 -3.436 14.434 9.302 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -5.318 12.699 8.525 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -5.938 12.958 10.144 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -5.976 15.453 9.643 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -5.556 15.069 7.986 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -7.586 13.635 7.797 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -8.005 14.002 9.458 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -8.115 16.445 8.862 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -7.770 16.035 7.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -10.154 16.287 7.558 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -9.803 14.681 7.135 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -10.138 15.079 8.751 1.00 25.00 H new ATOM 1022 N SER A 68 -2.875 13.730 12.068 1.00 25.00 N ATOM 1023 CA SER A 68 -2.744 14.072 13.468 1.00 25.00 C ATOM 1024 C SER A 68 -1.264 14.001 13.762 1.00 25.00 C ATOM 1025 O SER A 68 -0.553 13.148 13.228 1.00 25.00 O ATOM 1026 CB SER A 68 -3.501 13.076 14.350 1.00 25.00 C ATOM 1027 OG SER A 68 -3.334 13.399 15.720 1.00 25.00 O ATOM 0 H SER A 68 -2.086 13.199 11.699 1.00 25.00 H new ATOM 0 HA SER A 68 -3.161 15.058 13.675 1.00 25.00 H new ATOM 0 HB2 SER A 68 -4.561 13.087 14.094 1.00 25.00 H new ATOM 0 HB3 SER A 68 -3.138 12.066 14.162 1.00 25.00 H new ATOM 0 HG SER A 68 -3.825 12.754 16.270 1.00 25.00 H new ATOM 1033 N GLU A 69 -0.809 14.939 14.582 1.00 25.00 N ATOM 1034 CA GLU A 69 0.594 15.107 15.030 1.00 25.00 C ATOM 1035 C GLU A 69 1.585 15.364 13.885 1.00 25.00 C ATOM 1036 O GLU A 69 1.776 14.360 13.076 1.00 25.00 O ATOM 1037 CB GLU A 69 1.068 13.945 15.942 1.00 25.00 C ATOM 1038 CG GLU A 69 0.208 13.842 17.219 1.00 25.00 C ATOM 1039 CD GLU A 69 0.716 12.725 18.098 1.00 25.00 C ATOM 1040 OE1 GLU A 69 0.820 11.582 17.722 1.00 25.00 O ATOM 1041 OE2 GLU A 69 1.048 13.113 19.294 1.00 25.00 O ATOM 0 H GLU A 69 -1.428 15.645 14.980 1.00 25.00 H new ATOM 0 HA GLU A 69 0.588 16.016 15.631 1.00 25.00 H new ATOM 0 HB2 GLU A 69 1.018 13.005 15.392 1.00 25.00 H new ATOM 0 HB3 GLU A 69 2.112 14.099 16.216 1.00 25.00 H new ATOM 0 HG2 GLU A 69 0.237 14.786 17.764 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -0.833 13.660 16.952 1.00 25.00 H new TER 1048 GLU A 69