USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 457 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 MET CE :methyl -170:sc= 0 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.108 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 17:sc= -2.64! USER MOD Single : A 9 CYS SG : rot -37:sc= -0.0485 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.218 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -0.712 (180deg=-1.93!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.896 -12.260 5.599 1.00 0.00 N ATOM 2 CA MET A 1 -8.493 -11.898 5.266 1.00 0.00 C ATOM 3 C MET A 1 -8.228 -10.420 5.523 1.00 0.00 C ATOM 4 O MET A 1 -9.144 -9.661 5.844 1.00 0.00 O ATOM 5 CB MET A 1 -8.242 -12.224 3.793 1.00 0.00 C ATOM 6 CG MET A 1 -8.023 -13.704 3.524 1.00 0.00 C ATOM 7 SD MET A 1 -6.841 -14.001 2.193 1.00 0.00 S ATOM 8 CE MET A 1 -7.588 -13.072 0.857 1.00 0.00 C ATOM 0 H1 MET A 1 -9.900 -12.989 6.341 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.401 -11.417 5.940 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.370 -12.628 4.750 1.00 0.00 H new ATOM 0 HA MET A 1 -7.818 -12.471 5.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.091 -11.878 3.204 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.369 -11.668 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.668 -14.186 4.435 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.976 -14.168 3.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.074 -13.300 -0.077 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.640 -13.344 0.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.506 -12.005 1.065 1.00 0.00 H new ATOM 20 N TYR A 2 -6.971 -10.017 5.373 1.00 0.00 N ATOM 21 CA TYR A 2 -6.585 -8.627 5.580 1.00 0.00 C ATOM 22 C TYR A 2 -6.284 -7.944 4.249 1.00 0.00 C ATOM 23 O TYR A 2 -5.904 -8.594 3.275 1.00 0.00 O ATOM 24 CB TYR A 2 -5.366 -8.543 6.502 1.00 0.00 C ATOM 25 CG TYR A 2 -5.716 -8.602 7.973 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.287 -9.740 8.526 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.479 -7.516 8.806 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.610 -9.797 9.868 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.799 -7.564 10.150 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.364 -8.707 10.675 1.00 0.00 C ATOM 31 OH TYR A 2 -6.685 -8.759 12.013 1.00 0.00 O ATOM 0 H TYR A 2 -6.202 -10.633 5.109 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.420 -8.110 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.685 -9.360 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.832 -7.615 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.482 -10.595 7.896 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.037 -6.619 8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.053 -10.691 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.608 -6.712 10.785 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.447 -7.910 12.440 1.00 0.00 H new ATOM 41 N ILE A 3 -6.482 -6.632 4.212 1.00 0.00 N ATOM 42 CA ILE A 3 -6.249 -5.848 3.007 1.00 0.00 C ATOM 43 C ILE A 3 -5.356 -4.648 3.303 1.00 0.00 C ATOM 44 O ILE A 3 -5.231 -4.231 4.454 1.00 0.00 O ATOM 45 CB ILE A 3 -7.578 -5.334 2.419 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.399 -4.633 3.501 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.374 -6.476 1.807 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.319 -3.563 2.959 1.00 0.00 C ATOM 0 H ILE A 3 -6.806 -6.086 5.010 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.758 -6.503 2.287 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.350 -4.616 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.992 -5.376 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.721 -4.185 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.308 -6.090 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.792 -6.939 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.593 -7.219 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.871 -3.107 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.730 -2.800 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.021 -4.009 2.254 1.00 0.00 H new ATOM 60 N ILE A 4 -4.766 -4.074 2.258 1.00 0.00 N ATOM 61 CA ILE A 4 -3.916 -2.899 2.417 1.00 0.00 C ATOM 62 C ILE A 4 -4.387 -1.777 1.490 1.00 0.00 C ATOM 63 O ILE A 4 -4.955 -2.032 0.428 1.00 0.00 O ATOM 64 CB ILE A 4 -2.430 -3.247 2.155 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.818 -3.886 3.404 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.625 -2.018 1.754 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.877 -5.397 3.408 1.00 0.00 C ATOM 0 H ILE A 4 -4.860 -4.402 1.297 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.997 -2.553 3.448 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.394 -3.953 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.778 -3.572 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.337 -3.509 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.588 -2.304 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.043 -1.591 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.668 -1.278 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.424 -5.776 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.917 -5.721 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.333 -5.785 2.547 1.00 0.00 H new ATOM 79 N PHE A 5 -4.191 -0.534 1.915 1.00 0.00 N ATOM 80 CA PHE A 5 -4.630 0.619 1.135 1.00 0.00 C ATOM 81 C PHE A 5 -3.633 1.767 1.257 1.00 0.00 C ATOM 82 O PHE A 5 -2.503 1.568 1.702 1.00 0.00 O ATOM 83 CB PHE A 5 -6.014 1.081 1.595 1.00 0.00 C ATOM 84 CG PHE A 5 -6.397 0.620 2.974 1.00 0.00 C ATOM 85 CD1 PHE A 5 -6.960 -0.632 3.174 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.224 1.453 4.065 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.319 -1.049 4.440 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.592 1.044 5.330 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.133 -0.208 5.520 1.00 0.00 C ATOM 0 H PHE A 5 -3.731 -0.298 2.795 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.687 0.317 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.048 2.170 1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.758 0.721 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.119 -1.287 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.796 2.435 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.744 -2.031 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.456 1.706 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.411 -0.532 6.512 1.00 0.00 H new ATOM 99 N ARG A 6 -4.046 2.968 0.850 1.00 0.00 N ATOM 100 CA ARG A 6 -3.161 4.126 0.909 1.00 0.00 C ATOM 101 C ARG A 6 -3.914 5.396 1.290 1.00 0.00 C ATOM 102 O ARG A 6 -4.944 5.722 0.701 1.00 0.00 O ATOM 103 CB ARG A 6 -2.464 4.325 -0.440 1.00 0.00 C ATOM 104 CG ARG A 6 -1.185 3.517 -0.589 1.00 0.00 C ATOM 105 CD ARG A 6 -1.093 2.868 -1.959 1.00 0.00 C ATOM 106 NE ARG A 6 -0.322 3.679 -2.898 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.872 4.466 -3.818 1.00 0.00 C ATOM 108 NH1 ARG A 6 -2.192 4.548 -3.924 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.101 5.171 -4.634 1.00 0.00 N ATOM 0 H ARG A 6 -4.977 3.161 0.480 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.418 3.931 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.152 4.051 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.233 5.383 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.323 4.166 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.147 2.748 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.631 1.885 -1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.097 2.712 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 6 0.696 3.639 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.788 4.006 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.610 5.153 -4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.914 5.110 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.523 5.775 -5.340 1.00 0.00 H new ATOM 123 N CYS A 7 -3.382 6.123 2.267 1.00 0.00 N ATOM 124 CA CYS A 7 -3.983 7.372 2.704 1.00 0.00 C ATOM 125 C CYS A 7 -3.656 8.485 1.717 1.00 0.00 C ATOM 126 O CYS A 7 -2.697 8.376 0.952 1.00 0.00 O ATOM 127 CB CYS A 7 -3.489 7.740 4.102 1.00 0.00 C ATOM 128 SG CYS A 7 -4.452 9.042 4.909 1.00 0.00 S ATOM 0 H CYS A 7 -2.533 5.865 2.771 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.065 7.244 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.508 6.848 4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.449 8.061 4.035 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.595 9.175 4.304 1.00 0.00 H new ATOM 134 N ASP A 8 -4.424 9.573 1.770 1.00 0.00 N ATOM 135 CA ASP A 8 -4.223 10.692 0.855 1.00 0.00 C ATOM 136 C ASP A 8 -2.853 11.320 1.066 1.00 0.00 C ATOM 137 O ASP A 8 -2.262 11.874 0.139 1.00 0.00 O ATOM 138 CB ASP A 8 -5.315 11.745 1.053 1.00 0.00 C ATOM 139 CG ASP A 8 -6.513 11.511 0.153 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.314 11.071 -0.998 1.00 0.00 O ATOM 141 OD2 ASP A 8 -7.650 11.769 0.600 1.00 0.00 O ATOM 0 H ASP A 8 -5.187 9.702 2.434 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.279 10.311 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.639 11.738 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.902 12.734 0.855 1.00 0.00 H new ATOM 146 N CYS A 9 -2.339 11.199 2.283 1.00 0.00 N ATOM 147 CA CYS A 9 -1.010 11.701 2.606 1.00 0.00 C ATOM 148 C CYS A 9 0.057 10.809 1.981 1.00 0.00 C ATOM 149 O CYS A 9 1.253 10.999 2.203 1.00 0.00 O ATOM 150 CB CYS A 9 -0.825 11.749 4.123 1.00 0.00 C ATOM 151 SG CYS A 9 0.679 12.599 4.660 1.00 0.00 S ATOM 0 H CYS A 9 -2.823 10.757 3.064 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.908 12.708 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.688 12.245 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.810 10.730 4.508 1.00 0.00 H new ATOM 0 HG CYS A 9 1.643 12.344 3.826 1.00 0.00 H new ATOM 157 N GLY A 10 -0.392 9.824 1.208 1.00 0.00 N ATOM 158 CA GLY A 10 0.519 8.881 0.591 1.00 0.00 C ATOM 159 C GLY A 10 0.879 7.757 1.538 1.00 0.00 C ATOM 160 O GLY A 10 1.853 7.034 1.322 1.00 0.00 O ATOM 0 H GLY A 10 -1.377 9.663 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.063 8.468 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.425 9.400 0.279 1.00 0.00 H new ATOM 164 N ARG A 11 0.121 7.653 2.626 1.00 0.00 N ATOM 165 CA ARG A 11 0.358 6.624 3.634 1.00 0.00 C ATOM 166 C ARG A 11 -0.231 5.283 3.208 1.00 0.00 C ATOM 167 O ARG A 11 -0.629 5.106 2.057 1.00 0.00 O ATOM 168 CB ARG A 11 -0.234 7.052 4.980 1.00 0.00 C ATOM 169 CG ARG A 11 0.140 8.469 5.384 1.00 0.00 C ATOM 170 CD ARG A 11 1.496 8.513 6.069 1.00 0.00 C ATOM 171 NE ARG A 11 1.376 8.471 7.523 1.00 0.00 N ATOM 172 CZ ARG A 11 2.284 8.977 8.354 1.00 0.00 C ATOM 173 NH1 ARG A 11 3.374 9.562 7.876 1.00 0.00 N ATOM 174 NH2 ARG A 11 2.101 8.897 9.664 1.00 0.00 N ATOM 0 H ARG A 11 -0.664 8.270 2.832 1.00 0.00 H new ATOM 0 HA ARG A 11 1.436 6.503 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.320 6.971 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.104 6.361 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.156 9.108 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.620 8.870 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.100 7.671 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.021 9.422 5.775 1.00 0.00 H new ATOM 0 HE ARG A 11 0.549 8.029 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.519 9.625 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.068 9.949 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.264 8.448 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.797 9.285 10.301 1.00 0.00 H new ATOM 188 N ALA A 12 -0.274 4.340 4.146 1.00 0.00 N ATOM 189 CA ALA A 12 -0.826 3.015 3.886 1.00 0.00 C ATOM 190 C ALA A 12 -1.257 2.348 5.189 1.00 0.00 C ATOM 191 O ALA A 12 -0.643 2.566 6.234 1.00 0.00 O ATOM 192 CB ALA A 12 0.191 2.151 3.156 1.00 0.00 C ATOM 0 H ALA A 12 0.069 4.471 5.098 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.705 3.126 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.236 1.166 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.452 2.619 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.087 2.048 3.768 1.00 0.00 H new ATOM 198 N LEU A 13 -2.318 1.545 5.131 1.00 0.00 N ATOM 199 CA LEU A 13 -2.808 0.855 6.324 1.00 0.00 C ATOM 200 C LEU A 13 -3.344 -0.536 5.989 1.00 0.00 C ATOM 201 O LEU A 13 -3.304 -0.968 4.838 1.00 0.00 O ATOM 202 CB LEU A 13 -3.892 1.686 7.010 1.00 0.00 C ATOM 203 CG LEU A 13 -3.374 2.727 8.005 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.330 3.907 8.088 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.176 2.101 9.378 1.00 0.00 C ATOM 0 H LEU A 13 -2.850 1.357 4.281 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.966 0.733 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.477 2.196 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.570 1.011 7.533 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.409 3.091 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.946 4.637 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.421 4.371 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.309 3.559 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.807 2.856 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.127 1.709 9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.452 1.289 9.307 1.00 0.00 H new ATOM 217 N TYR A 14 -3.840 -1.231 7.011 1.00 0.00 N ATOM 218 CA TYR A 14 -4.378 -2.580 6.843 1.00 0.00 C ATOM 219 C TYR A 14 -5.689 -2.742 7.612 1.00 0.00 C ATOM 220 O TYR A 14 -5.840 -2.219 8.716 1.00 0.00 O ATOM 221 CB TYR A 14 -3.363 -3.618 7.322 1.00 0.00 C ATOM 222 CG TYR A 14 -2.950 -3.447 8.767 1.00 0.00 C ATOM 223 CD1 TYR A 14 -1.934 -2.567 9.120 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.575 -4.167 9.777 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.556 -2.409 10.440 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.201 -4.014 11.099 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.192 -3.135 11.425 1.00 0.00 C ATOM 228 OH TYR A 14 -1.816 -2.979 12.740 1.00 0.00 O ATOM 0 H TYR A 14 -3.881 -0.880 7.968 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.576 -2.737 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.786 -4.614 7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.476 -3.563 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.432 -1.998 8.351 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.366 -4.858 9.525 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.766 -1.720 10.699 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.698 -4.581 11.872 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.363 -3.561 13.308 1.00 0.00 H new ATOM 238 N SER A 15 -6.633 -3.474 7.023 1.00 0.00 N ATOM 239 CA SER A 15 -7.929 -3.714 7.656 1.00 0.00 C ATOM 240 C SER A 15 -8.554 -5.005 7.140 1.00 0.00 C ATOM 241 O SER A 15 -7.910 -5.777 6.435 1.00 0.00 O ATOM 242 CB SER A 15 -8.875 -2.540 7.395 1.00 0.00 C ATOM 243 OG SER A 15 -9.985 -2.574 8.275 1.00 0.00 O ATOM 0 H SER A 15 -6.525 -3.911 6.108 1.00 0.00 H new ATOM 0 HA SER A 15 -7.767 -3.810 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.337 -1.600 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.224 -2.573 6.363 1.00 0.00 H new ATOM 0 HG SER A 15 -10.573 -1.813 8.089 1.00 0.00 H new ATOM 249 N ARG A 16 -9.811 -5.238 7.504 1.00 0.00 N ATOM 250 CA ARG A 16 -10.521 -6.433 7.063 1.00 0.00 C ATOM 251 C ARG A 16 -10.939 -6.310 5.601 1.00 0.00 C ATOM 252 O ARG A 16 -11.287 -5.225 5.133 1.00 0.00 O ATOM 253 CB ARG A 16 -11.752 -6.677 7.936 1.00 0.00 C ATOM 254 CG ARG A 16 -11.561 -7.794 8.950 1.00 0.00 C ATOM 255 CD ARG A 16 -12.768 -7.937 9.862 1.00 0.00 C ATOM 256 NE ARG A 16 -12.441 -8.653 11.092 1.00 0.00 N ATOM 257 CZ ARG A 16 -12.414 -8.084 12.293 1.00 0.00 C ATOM 258 NH1 ARG A 16 -12.698 -6.795 12.427 1.00 0.00 N ATOM 259 NH2 ARG A 16 -12.102 -8.804 13.363 1.00 0.00 N ATOM 0 H ARG A 16 -10.357 -4.617 8.101 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.843 -7.281 7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.003 -5.757 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.600 -6.919 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.386 -8.734 8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.673 -7.593 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.155 -6.948 10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.561 -8.466 9.334 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.221 -9.647 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.938 -6.238 11.607 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.676 -6.361 13.350 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.883 -9.795 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.082 -8.366 14.284 1.00 0.00 H new ATOM 273 N GLU A 17 -10.896 -7.430 4.886 1.00 0.00 N ATOM 274 CA GLU A 17 -11.266 -7.457 3.475 1.00 0.00 C ATOM 275 C GLU A 17 -12.669 -6.898 3.256 1.00 0.00 C ATOM 276 O GLU A 17 -13.662 -7.530 3.618 1.00 0.00 O ATOM 277 CB GLU A 17 -11.190 -8.887 2.938 1.00 0.00 C ATOM 278 CG GLU A 17 -11.250 -8.972 1.422 1.00 0.00 C ATOM 279 CD GLU A 17 -12.307 -9.943 0.934 1.00 0.00 C ATOM 280 OE1 GLU A 17 -12.375 -11.066 1.477 1.00 0.00 O ATOM 281 OE2 GLU A 17 -13.065 -9.581 0.009 1.00 0.00 O ATOM 0 H GLU A 17 -10.608 -8.333 5.262 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.560 -6.827 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.264 -9.347 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.010 -9.468 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.455 -7.982 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.276 -9.279 1.040 1.00 0.00 H new ATOM 288 N GLY A 18 -12.743 -5.717 2.648 1.00 0.00 N ATOM 289 CA GLY A 18 -14.030 -5.103 2.379 1.00 0.00 C ATOM 290 C GLY A 18 -14.027 -3.608 2.627 1.00 0.00 C ATOM 291 O GLY A 18 -15.030 -2.932 2.392 1.00 0.00 O ATOM 0 H GLY A 18 -11.936 -5.176 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.310 -5.295 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.789 -5.570 3.006 1.00 0.00 H new ATOM 295 N ALA A 19 -12.906 -3.090 3.118 1.00 0.00 N ATOM 296 CA ALA A 19 -12.781 -1.665 3.399 1.00 0.00 C ATOM 297 C ALA A 19 -12.624 -0.863 2.112 1.00 0.00 C ATOM 298 O ALA A 19 -11.639 -1.015 1.391 1.00 0.00 O ATOM 299 CB ALA A 19 -11.609 -1.407 4.332 1.00 0.00 C ATOM 0 H ALA A 19 -12.071 -3.636 3.330 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.697 -1.338 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.531 -0.338 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.766 -1.940 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.688 -1.758 3.865 1.00 0.00 H new ATOM 305 N LYS A 20 -13.604 -0.013 1.831 1.00 0.00 N ATOM 306 CA LYS A 20 -13.576 0.824 0.639 1.00 0.00 C ATOM 307 C LYS A 20 -12.871 2.144 0.927 1.00 0.00 C ATOM 308 O LYS A 20 -12.008 2.582 0.167 1.00 0.00 O ATOM 309 CB LYS A 20 -14.998 1.089 0.141 1.00 0.00 C ATOM 310 CG LYS A 20 -15.849 -0.166 0.025 1.00 0.00 C ATOM 311 CD LYS A 20 -16.542 -0.493 1.339 1.00 0.00 C ATOM 312 CE LYS A 20 -18.027 -0.175 1.282 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.783 -1.190 0.499 1.00 0.00 N ATOM 0 H LYS A 20 -14.431 0.115 2.415 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.023 0.295 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.487 1.787 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.948 1.574 -0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.596 -0.030 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.222 -1.005 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.404 -1.549 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.079 0.074 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.427 -0.126 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.171 0.809 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.792 -0.937 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.419 -1.219 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.667 -2.125 0.940 1.00 0.00 H new ATOM 327 N THR A 21 -13.244 2.771 2.038 1.00 0.00 N ATOM 328 CA THR A 21 -12.651 4.040 2.437 1.00 0.00 C ATOM 329 C THR A 21 -12.505 4.121 3.951 1.00 0.00 C ATOM 330 O THR A 21 -13.497 4.143 4.680 1.00 0.00 O ATOM 331 CB THR A 21 -13.506 5.206 1.935 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.826 4.775 1.655 1.00 0.00 O ATOM 333 CG2 THR A 21 -12.959 5.855 0.683 1.00 0.00 C ATOM 0 H THR A 21 -13.956 2.419 2.678 1.00 0.00 H new ATOM 0 HA THR A 21 -11.659 4.104 1.990 1.00 0.00 H new ATOM 0 HB THR A 21 -13.493 5.941 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.358 5.534 1.337 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.613 6.673 0.382 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.960 6.243 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.909 5.117 -0.118 1.00 0.00 H new ATOM 341 N ARG A 22 -11.263 4.184 4.417 1.00 0.00 N ATOM 342 CA ARG A 22 -10.985 4.275 5.845 1.00 0.00 C ATOM 343 C ARG A 22 -10.981 5.732 6.295 1.00 0.00 C ATOM 344 O ARG A 22 -11.374 6.623 5.542 1.00 0.00 O ATOM 345 CB ARG A 22 -9.638 3.623 6.166 1.00 0.00 C ATOM 346 CG ARG A 22 -9.752 2.407 7.070 1.00 0.00 C ATOM 347 CD ARG A 22 -9.218 2.698 8.464 1.00 0.00 C ATOM 348 NE ARG A 22 -10.292 2.969 9.415 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.087 3.400 10.656 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.854 3.608 11.095 1.00 0.00 N ATOM 351 NH2 ARG A 22 -11.118 3.625 11.459 1.00 0.00 N ATOM 0 H ARG A 22 -10.432 4.174 3.826 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.770 3.745 6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.155 3.329 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.991 4.360 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.795 2.098 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.200 1.575 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.631 1.848 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.545 3.555 8.423 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.254 2.819 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.058 3.437 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.701 3.939 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.069 3.467 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.960 3.956 12.411 1.00 0.00 H new ATOM 365 N LYS A 23 -10.542 5.970 7.527 1.00 0.00 N ATOM 366 CA LYS A 23 -10.501 7.322 8.068 1.00 0.00 C ATOM 367 C LYS A 23 -9.372 7.472 9.079 1.00 0.00 C ATOM 368 O LYS A 23 -9.118 6.573 9.881 1.00 0.00 O ATOM 369 CB LYS A 23 -11.840 7.667 8.726 1.00 0.00 C ATOM 370 CG LYS A 23 -11.870 9.049 9.358 1.00 0.00 C ATOM 371 CD LYS A 23 -13.290 9.472 9.703 1.00 0.00 C ATOM 372 CE LYS A 23 -13.309 10.785 10.469 1.00 0.00 C ATOM 373 NZ LYS A 23 -14.204 11.787 9.828 1.00 0.00 N ATOM 0 H LYS A 23 -10.211 5.247 8.166 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.317 8.011 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.630 7.602 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.062 6.922 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.259 9.051 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.429 9.773 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.873 9.575 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.768 8.695 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.640 10.604 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.297 11.186 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.190 12.668 10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.874 11.979 8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.175 11.415 9.795 1.00 0.00 H new ATOM 387 N CYS A 24 -8.697 8.614 9.032 1.00 0.00 N ATOM 388 CA CYS A 24 -7.605 8.897 9.950 1.00 0.00 C ATOM 389 C CYS A 24 -8.084 9.792 11.085 1.00 0.00 C ATOM 390 O CYS A 24 -8.579 10.896 10.854 1.00 0.00 O ATOM 391 CB CYS A 24 -6.446 9.565 9.209 1.00 0.00 C ATOM 392 SG CYS A 24 -4.814 8.944 9.677 1.00 0.00 S ATOM 0 H CYS A 24 -8.889 9.361 8.364 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.256 7.954 10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.584 9.422 8.137 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.481 10.639 9.394 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.900 9.568 8.995 1.00 0.00 H new ATOM 398 N VAL A 25 -7.948 9.302 12.311 1.00 0.00 N ATOM 399 CA VAL A 25 -8.382 10.051 13.484 1.00 0.00 C ATOM 400 C VAL A 25 -7.510 11.284 13.694 1.00 0.00 C ATOM 401 O VAL A 25 -7.921 12.244 14.345 1.00 0.00 O ATOM 402 CB VAL A 25 -8.348 9.179 14.751 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.325 9.709 15.790 1.00 0.00 C ATOM 404 CG2 VAL A 25 -8.656 7.729 14.406 1.00 0.00 C ATOM 0 H VAL A 25 -7.541 8.390 12.519 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.410 10.365 13.303 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.345 9.222 15.176 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.287 9.080 16.679 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.054 10.731 16.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.335 9.697 15.380 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.628 7.125 15.313 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.647 7.664 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.913 7.357 13.700 1.00 0.00 H new ATOM 414 N CYS A 26 -6.313 11.256 13.118 1.00 0.00 N ATOM 415 CA CYS A 26 -5.392 12.380 13.216 1.00 0.00 C ATOM 416 C CYS A 26 -5.916 13.572 12.420 1.00 0.00 C ATOM 417 O CYS A 26 -5.487 14.708 12.627 1.00 0.00 O ATOM 418 CB CYS A 26 -4.007 11.978 12.702 1.00 0.00 C ATOM 419 SG CYS A 26 -2.639 12.835 13.517 1.00 0.00 S ATOM 0 H CYS A 26 -5.959 10.466 12.578 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.311 12.667 14.264 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.880 10.904 12.835 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.958 12.174 11.631 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.511 12.427 13.016 1.00 0.00 H new ATOM 425 N GLY A 27 -6.849 13.302 11.511 1.00 0.00 N ATOM 426 CA GLY A 27 -7.425 14.357 10.697 1.00 0.00 C ATOM 427 C GLY A 27 -7.199 14.136 9.214 1.00 0.00 C ATOM 428 O GLY A 27 -6.521 14.928 8.561 1.00 0.00 O ATOM 0 H GLY A 27 -7.217 12.369 11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.495 14.419 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.992 15.314 10.989 1.00 0.00 H new ATOM 432 N ARG A 28 -7.786 13.065 8.679 1.00 0.00 N ATOM 433 CA ARG A 28 -7.646 12.735 7.264 1.00 0.00 C ATOM 434 C ARG A 28 -8.542 11.560 6.880 1.00 0.00 C ATOM 435 O ARG A 28 -9.370 11.111 7.672 1.00 0.00 O ATOM 436 CB ARG A 28 -6.192 12.389 6.940 1.00 0.00 C ATOM 437 CG ARG A 28 -5.451 13.499 6.219 1.00 0.00 C ATOM 438 CD ARG A 28 -3.946 13.373 6.395 1.00 0.00 C ATOM 439 NE ARG A 28 -3.567 13.270 7.802 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.669 12.405 8.263 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.059 11.570 7.431 1.00 0.00 N ATOM 442 NH2 ARG A 28 -2.380 12.373 9.556 1.00 0.00 N ATOM 0 H ARG A 28 -8.364 12.411 9.207 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.950 13.610 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.668 12.155 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.169 11.489 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.697 13.472 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.783 14.465 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.590 12.493 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.455 14.238 5.950 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.017 13.897 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.279 11.591 6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.370 10.907 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.847 13.013 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.691 11.709 9.908 1.00 0.00 H new ATOM 456 N THR A 29 -8.365 11.072 5.656 1.00 0.00 N ATOM 457 CA THR A 29 -9.142 9.942 5.154 1.00 0.00 C ATOM 458 C THR A 29 -8.270 9.040 4.285 1.00 0.00 C ATOM 459 O THR A 29 -7.552 9.518 3.407 1.00 0.00 O ATOM 460 CB THR A 29 -10.344 10.444 4.351 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.196 11.231 5.165 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.178 9.330 3.756 1.00 0.00 C ATOM 0 H THR A 29 -7.687 11.443 4.990 1.00 0.00 H new ATOM 0 HA THR A 29 -9.502 9.363 6.004 1.00 0.00 H new ATOM 0 HB THR A 29 -9.921 11.031 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.958 11.544 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.013 9.757 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.562 8.734 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.561 8.696 4.555 1.00 0.00 H new ATOM 470 N VAL A 30 -8.328 7.736 4.539 1.00 0.00 N ATOM 471 CA VAL A 30 -7.527 6.777 3.784 1.00 0.00 C ATOM 472 C VAL A 30 -8.339 6.125 2.671 1.00 0.00 C ATOM 473 O VAL A 30 -9.306 5.411 2.928 1.00 0.00 O ATOM 474 CB VAL A 30 -6.947 5.682 4.694 1.00 0.00 C ATOM 475 CG1 VAL A 30 -5.954 4.823 3.929 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.293 6.302 5.916 1.00 0.00 C ATOM 0 H VAL A 30 -8.919 7.320 5.259 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.705 7.341 3.342 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.763 5.041 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.554 4.054 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.456 4.351 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.139 5.447 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.887 5.514 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.487 6.965 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.034 6.873 6.475 1.00 0.00 H new ATOM 486 N ASN A 31 -7.950 6.401 1.433 1.00 0.00 N ATOM 487 CA ASN A 31 -8.635 5.848 0.269 1.00 0.00 C ATOM 488 C ASN A 31 -7.927 4.603 -0.261 1.00 0.00 C ATOM 489 O ASN A 31 -6.771 4.667 -0.681 1.00 0.00 O ATOM 490 CB ASN A 31 -8.725 6.902 -0.836 1.00 0.00 C ATOM 491 CG ASN A 31 -10.081 6.919 -1.513 1.00 0.00 C ATOM 492 OD1 ASN A 31 -11.001 7.606 -1.068 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.213 6.161 -2.595 1.00 0.00 N ATOM 0 H ASN A 31 -7.161 7.007 1.207 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.638 5.558 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.521 7.886 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.953 6.710 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.103 6.132 -3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.424 5.607 -2.929 1.00 0.00 H new ATOM 500 N VAL A 32 -8.616 3.464 -0.237 1.00 0.00 N ATOM 501 CA VAL A 32 -8.047 2.232 -0.771 1.00 0.00 C ATOM 502 C VAL A 32 -7.855 2.352 -2.282 1.00 0.00 C ATOM 503 O VAL A 32 -8.066 3.422 -2.855 1.00 0.00 O ATOM 504 CB VAL A 32 -8.909 0.992 -0.432 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.432 1.083 0.993 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.058 0.818 -1.416 1.00 0.00 C ATOM 0 H VAL A 32 -9.558 3.370 0.142 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.077 2.088 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.271 0.112 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.036 0.204 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.592 1.131 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.043 1.979 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.640 -0.063 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.699 1.699 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.659 0.693 -2.423 1.00 0.00 H new ATOM 516 N LYS A 33 -7.460 1.258 -2.925 1.00 0.00 N ATOM 517 CA LYS A 33 -7.249 1.259 -4.367 1.00 0.00 C ATOM 518 C LYS A 33 -8.510 1.692 -5.107 1.00 0.00 C ATOM 519 O LYS A 33 -9.540 1.973 -4.492 1.00 0.00 O ATOM 520 CB LYS A 33 -6.824 -0.137 -4.827 1.00 0.00 C ATOM 521 CG LYS A 33 -5.431 -0.200 -5.440 1.00 0.00 C ATOM 522 CD LYS A 33 -4.427 0.667 -4.692 1.00 0.00 C ATOM 523 CE LYS A 33 -3.626 1.542 -5.643 1.00 0.00 C ATOM 524 NZ LYS A 33 -4.491 2.182 -6.674 1.00 0.00 N ATOM 0 H LYS A 33 -7.280 0.362 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.460 1.974 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.864 -0.815 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.546 -0.501 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.084 -1.233 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.480 0.121 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.953 1.296 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.749 0.031 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.107 2.314 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.862 0.939 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.089 3.103 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.542 1.570 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.447 2.320 -6.288 1.00 0.00 H new ATOM 538 N ASP A 34 -8.431 1.725 -6.432 1.00 0.00 N ATOM 539 CA ASP A 34 -9.568 2.122 -7.252 1.00 0.00 C ATOM 540 C ASP A 34 -10.426 0.912 -7.590 1.00 0.00 C ATOM 541 O ASP A 34 -11.654 0.968 -7.514 1.00 0.00 O ATOM 542 CB ASP A 34 -9.085 2.798 -8.538 1.00 0.00 C ATOM 543 CG ASP A 34 -9.136 4.310 -8.449 1.00 0.00 C ATOM 544 OD1 ASP A 34 -10.184 4.847 -8.031 1.00 0.00 O ATOM 545 OD2 ASP A 34 -8.126 4.960 -8.797 1.00 0.00 O ATOM 0 H ASP A 34 -7.593 1.482 -6.960 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.171 2.832 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.063 2.483 -8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.700 2.465 -9.374 1.00 0.00 H new ATOM 550 N ARG A 35 -9.770 -0.188 -7.939 1.00 0.00 N ATOM 551 CA ARG A 35 -10.471 -1.426 -8.247 1.00 0.00 C ATOM 552 C ARG A 35 -10.754 -2.205 -6.962 1.00 0.00 C ATOM 553 O ARG A 35 -11.576 -1.787 -6.147 1.00 0.00 O ATOM 554 CB ARG A 35 -9.653 -2.272 -9.226 1.00 0.00 C ATOM 555 CG ARG A 35 -9.370 -1.572 -10.546 1.00 0.00 C ATOM 556 CD ARG A 35 -10.594 -1.571 -11.450 1.00 0.00 C ATOM 557 NE ARG A 35 -10.457 -0.627 -12.555 1.00 0.00 N ATOM 558 CZ ARG A 35 -10.159 -0.988 -13.800 1.00 0.00 C ATOM 559 NH1 ARG A 35 -9.966 -2.267 -14.096 1.00 0.00 N ATOM 560 NH2 ARG A 35 -10.054 -0.069 -14.751 1.00 0.00 N ATOM 0 H ARG A 35 -8.755 -0.247 -8.015 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.423 -1.184 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.707 -2.542 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.187 -3.201 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.057 -0.546 -10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.543 -2.069 -11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.752 -2.574 -11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.477 -1.317 -10.864 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.598 0.365 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.046 -2.977 -13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.738 -2.540 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.202 0.915 -14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.825 -0.347 -15.705 1.00 0.00 H new ATOM 574 N ARG A 36 -10.071 -3.333 -6.781 1.00 0.00 N ATOM 575 CA ARG A 36 -10.248 -4.147 -5.584 1.00 0.00 C ATOM 576 C ARG A 36 -9.527 -3.528 -4.386 1.00 0.00 C ATOM 577 O ARG A 36 -10.044 -2.615 -3.743 1.00 0.00 O ATOM 578 CB ARG A 36 -9.744 -5.572 -5.832 1.00 0.00 C ATOM 579 CG ARG A 36 -10.183 -6.150 -7.168 1.00 0.00 C ATOM 580 CD ARG A 36 -11.058 -7.380 -6.983 1.00 0.00 C ATOM 581 NE ARG A 36 -11.628 -7.839 -8.247 1.00 0.00 N ATOM 582 CZ ARG A 36 -12.611 -7.209 -8.886 1.00 0.00 C ATOM 583 NH1 ARG A 36 -13.129 -6.098 -8.380 1.00 0.00 N ATOM 584 NH2 ARG A 36 -13.075 -7.690 -10.031 1.00 0.00 N ATOM 0 H ARG A 36 -9.392 -3.702 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.313 -4.185 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.655 -5.577 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.101 -6.219 -5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.731 -5.394 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.305 -6.412 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.468 -8.182 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.862 -7.151 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.251 -8.691 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.774 -5.725 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.882 -5.617 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.679 -8.544 -10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.828 -7.206 -10.520 1.00 0.00 H new ATOM 598 N ILE A 37 -8.337 -4.044 -4.083 1.00 0.00 N ATOM 599 CA ILE A 37 -7.552 -3.562 -2.951 1.00 0.00 C ATOM 600 C ILE A 37 -6.067 -3.841 -3.170 1.00 0.00 C ATOM 601 O ILE A 37 -5.700 -4.805 -3.843 1.00 0.00 O ATOM 602 CB ILE A 37 -8.026 -4.225 -1.634 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.877 -3.241 -0.819 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.848 -4.740 -0.811 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.071 -2.282 0.033 1.00 0.00 C ATOM 0 H ILE A 37 -7.895 -4.798 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.699 -2.485 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.642 -5.086 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.502 -2.666 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.549 -3.807 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.218 -5.199 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.296 -5.480 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.188 -3.909 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.747 -1.622 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.466 -2.846 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.419 -1.687 -0.607 1.00 0.00 H new ATOM 617 N PHE A 38 -5.217 -3.009 -2.578 1.00 0.00 N ATOM 618 CA PHE A 38 -3.777 -3.195 -2.680 1.00 0.00 C ATOM 619 C PHE A 38 -3.272 -4.030 -1.509 1.00 0.00 C ATOM 620 O PHE A 38 -3.890 -4.058 -0.448 1.00 0.00 O ATOM 621 CB PHE A 38 -3.061 -1.843 -2.706 1.00 0.00 C ATOM 622 CG PHE A 38 -1.772 -1.863 -3.476 1.00 0.00 C ATOM 623 CD1 PHE A 38 -1.764 -1.651 -4.846 1.00 0.00 C ATOM 624 CD2 PHE A 38 -0.568 -2.091 -2.830 1.00 0.00 C ATOM 625 CE1 PHE A 38 -0.579 -1.668 -5.557 1.00 0.00 C ATOM 626 CE2 PHE A 38 0.620 -2.109 -3.536 1.00 0.00 C ATOM 627 CZ PHE A 38 0.614 -1.897 -4.900 1.00 0.00 C ATOM 0 H PHE A 38 -5.501 -2.201 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.562 -3.720 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.725 -1.097 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.859 -1.528 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.695 -1.470 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.558 -2.257 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.586 -1.503 -6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.552 -2.289 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.542 -1.910 -5.453 1.00 0.00 H new ATOM 637 N GLY A 39 -2.162 -4.725 -1.717 1.00 0.00 N ATOM 638 CA GLY A 39 -1.600 -5.564 -0.674 1.00 0.00 C ATOM 639 C GLY A 39 -2.636 -6.475 -0.042 1.00 0.00 C ATOM 640 O GLY A 39 -3.276 -6.110 0.943 1.00 0.00 O ATOM 0 H GLY A 39 -1.638 -4.723 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.795 -6.169 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.157 -4.933 0.096 1.00 0.00 H new ATOM 644 N ARG A 40 -2.819 -7.654 -0.622 1.00 0.00 N ATOM 645 CA ARG A 40 -3.777 -8.616 -0.097 1.00 0.00 C ATOM 646 C ARG A 40 -3.092 -9.560 0.879 1.00 0.00 C ATOM 647 O ARG A 40 -2.545 -10.591 0.486 1.00 0.00 O ATOM 648 CB ARG A 40 -4.421 -9.410 -1.234 1.00 0.00 C ATOM 649 CG ARG A 40 -5.934 -9.517 -1.123 1.00 0.00 C ATOM 650 CD ARG A 40 -6.589 -8.148 -1.035 1.00 0.00 C ATOM 651 NE ARG A 40 -8.022 -8.205 -1.309 1.00 0.00 N ATOM 652 CZ ARG A 40 -8.553 -7.964 -2.503 1.00 0.00 C ATOM 653 NH1 ARG A 40 -7.772 -7.654 -3.531 1.00 0.00 N ATOM 654 NH2 ARG A 40 -9.867 -8.035 -2.674 1.00 0.00 N ATOM 0 H ARG A 40 -2.318 -7.966 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.560 -8.070 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.167 -8.939 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.995 -10.413 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.325 -10.053 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.194 -10.102 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.427 -7.733 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.112 -7.472 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.650 -8.443 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.761 -7.600 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.183 -7.470 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.471 -8.275 -1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.273 -7.850 -3.591 1.00 0.00 H new ATOM 668 N ALA A 41 -3.099 -9.179 2.148 1.00 0.00 N ATOM 669 CA ALA A 41 -2.449 -9.967 3.184 1.00 0.00 C ATOM 670 C ALA A 41 -3.427 -10.920 3.856 1.00 0.00 C ATOM 671 O ALA A 41 -4.434 -10.495 4.418 1.00 0.00 O ATOM 672 CB ALA A 41 -1.815 -9.046 4.213 1.00 0.00 C ATOM 0 H ALA A 41 -3.548 -8.328 2.485 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.672 -10.570 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.330 -9.643 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.074 -8.412 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.585 -8.422 4.666 1.00 0.00 H new ATOM 678 N ASP A 42 -3.118 -12.210 3.805 1.00 0.00 N ATOM 679 CA ASP A 42 -3.959 -13.219 4.434 1.00 0.00 C ATOM 680 C ASP A 42 -3.651 -13.306 5.925 1.00 0.00 C ATOM 681 O ASP A 42 -4.552 -13.466 6.749 1.00 0.00 O ATOM 682 CB ASP A 42 -3.740 -14.582 3.774 1.00 0.00 C ATOM 683 CG ASP A 42 -4.435 -15.706 4.517 1.00 0.00 C ATOM 684 OD1 ASP A 42 -3.821 -16.271 5.447 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.593 -16.022 4.171 1.00 0.00 O ATOM 0 H ASP A 42 -2.292 -12.581 3.335 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.002 -12.931 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.106 -14.548 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.671 -14.790 3.724 1.00 0.00 H new ATOM 690 N ASP A 43 -2.367 -13.219 6.256 1.00 0.00 N ATOM 691 CA ASP A 43 -1.928 -13.261 7.645 1.00 0.00 C ATOM 692 C ASP A 43 -1.941 -11.866 8.258 1.00 0.00 C ATOM 693 O ASP A 43 -1.444 -10.914 7.656 1.00 0.00 O ATOM 694 CB ASP A 43 -0.522 -13.857 7.738 1.00 0.00 C ATOM 695 CG ASP A 43 -0.497 -15.166 8.503 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.250 -15.289 9.493 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.274 -16.067 8.114 1.00 0.00 O ATOM 0 H ASP A 43 -1.611 -13.119 5.579 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.621 -13.892 8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.132 -14.019 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.141 -13.142 8.225 1.00 0.00 H new ATOM 702 N PHE A 44 -2.506 -11.750 9.455 1.00 0.00 N ATOM 703 CA PHE A 44 -2.560 -10.467 10.148 1.00 0.00 C ATOM 704 C PHE A 44 -1.159 -9.882 10.299 1.00 0.00 C ATOM 705 O PHE A 44 -0.967 -8.670 10.203 1.00 0.00 O ATOM 706 CB PHE A 44 -3.221 -10.623 11.521 1.00 0.00 C ATOM 707 CG PHE A 44 -2.592 -11.681 12.382 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.024 -12.996 12.313 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.579 -11.357 13.270 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.450 -13.970 13.109 1.00 0.00 C ATOM 711 CE2 PHE A 44 -1.001 -12.327 14.067 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.438 -13.634 13.987 1.00 0.00 C ATOM 0 H PHE A 44 -2.931 -12.525 9.964 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.161 -9.781 9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.177 -9.668 12.045 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.275 -10.862 11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.817 -13.263 11.630 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.237 -10.335 13.340 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.792 -14.992 13.044 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.208 -12.063 14.751 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.989 -14.393 14.610 1.00 0.00 H new ATOM 722 N GLU A 45 -0.184 -10.758 10.529 1.00 0.00 N ATOM 723 CA GLU A 45 1.205 -10.338 10.675 1.00 0.00 C ATOM 724 C GLU A 45 1.753 -9.816 9.351 1.00 0.00 C ATOM 725 O GLU A 45 2.534 -8.864 9.321 1.00 0.00 O ATOM 726 CB GLU A 45 2.062 -11.505 11.168 1.00 0.00 C ATOM 727 CG GLU A 45 3.147 -11.091 12.147 1.00 0.00 C ATOM 728 CD GLU A 45 4.369 -11.986 12.075 1.00 0.00 C ATOM 729 OE1 GLU A 45 5.049 -11.980 11.027 1.00 0.00 O ATOM 730 OE2 GLU A 45 4.647 -12.694 13.067 1.00 0.00 O ATOM 0 H GLU A 45 -0.331 -11.763 10.618 1.00 0.00 H new ATOM 0 HA GLU A 45 1.242 -9.533 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.417 -12.243 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.525 -11.993 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.442 -10.062 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.745 -11.112 13.160 1.00 0.00 H new ATOM 737 N GLU A 46 1.332 -10.444 8.257 1.00 0.00 N ATOM 738 CA GLU A 46 1.779 -10.049 6.927 1.00 0.00 C ATOM 739 C GLU A 46 1.250 -8.667 6.569 1.00 0.00 C ATOM 740 O GLU A 46 1.856 -7.945 5.779 1.00 0.00 O ATOM 741 CB GLU A 46 1.319 -11.070 5.886 1.00 0.00 C ATOM 742 CG GLU A 46 2.454 -11.889 5.293 1.00 0.00 C ATOM 743 CD GLU A 46 2.380 -13.353 5.680 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.938 -13.717 6.737 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.766 -14.136 4.925 1.00 0.00 O ATOM 0 H GLU A 46 0.681 -11.229 8.266 1.00 0.00 H new ATOM 0 HA GLU A 46 2.868 -10.014 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.597 -11.745 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.800 -10.548 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.431 -11.802 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.407 -11.477 5.625 1.00 0.00 H new ATOM 752 N ALA A 47 0.111 -8.307 7.151 1.00 0.00 N ATOM 753 CA ALA A 47 -0.489 -7.002 6.908 1.00 0.00 C ATOM 754 C ALA A 47 0.466 -5.882 7.309 1.00 0.00 C ATOM 755 O ALA A 47 0.661 -4.923 6.565 1.00 0.00 O ATOM 756 CB ALA A 47 -1.804 -6.875 7.662 1.00 0.00 C ATOM 0 H ALA A 47 -0.414 -8.900 7.793 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.689 -6.912 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.240 -5.895 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.492 -7.650 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.623 -6.989 8.731 1.00 0.00 H new ATOM 762 N SER A 48 1.058 -6.016 8.492 1.00 0.00 N ATOM 763 CA SER A 48 1.991 -5.019 9.005 1.00 0.00 C ATOM 764 C SER A 48 3.192 -4.852 8.077 1.00 0.00 C ATOM 765 O SER A 48 3.609 -3.730 7.786 1.00 0.00 O ATOM 766 CB SER A 48 2.468 -5.412 10.404 1.00 0.00 C ATOM 767 OG SER A 48 1.376 -5.749 11.241 1.00 0.00 O ATOM 0 H SER A 48 0.907 -6.809 9.116 1.00 0.00 H new ATOM 0 HA SER A 48 1.465 -4.066 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.151 -6.259 10.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.027 -4.587 10.846 1.00 0.00 H new ATOM 0 HG SER A 48 1.709 -5.998 12.129 1.00 0.00 H new ATOM 773 N GLU A 49 3.744 -5.971 7.616 1.00 0.00 N ATOM 774 CA GLU A 49 4.912 -5.944 6.749 1.00 0.00 C ATOM 775 C GLU A 49 4.575 -5.369 5.375 1.00 0.00 C ATOM 776 O GLU A 49 5.401 -4.702 4.751 1.00 0.00 O ATOM 777 CB GLU A 49 5.486 -7.356 6.615 1.00 0.00 C ATOM 778 CG GLU A 49 4.822 -8.203 5.540 1.00 0.00 C ATOM 779 CD GLU A 49 5.761 -8.535 4.397 1.00 0.00 C ATOM 780 OE1 GLU A 49 5.896 -7.701 3.479 1.00 0.00 O ATOM 781 OE2 GLU A 49 6.361 -9.631 4.422 1.00 0.00 O ATOM 0 H GLU A 49 3.399 -6.907 7.830 1.00 0.00 H new ATOM 0 HA GLU A 49 5.660 -5.292 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.551 -7.283 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.391 -7.867 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.457 -9.128 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.953 -7.673 5.150 1.00 0.00 H new ATOM 788 N LEU A 50 3.362 -5.634 4.905 1.00 0.00 N ATOM 789 CA LEU A 50 2.918 -5.137 3.607 1.00 0.00 C ATOM 790 C LEU A 50 2.720 -3.623 3.639 1.00 0.00 C ATOM 791 O LEU A 50 3.115 -2.915 2.712 1.00 0.00 O ATOM 792 CB LEU A 50 1.616 -5.827 3.191 1.00 0.00 C ATOM 793 CG LEU A 50 1.774 -6.920 2.131 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.538 -8.107 2.699 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.414 -7.359 1.612 1.00 0.00 C ATOM 0 H LEU A 50 2.667 -6.191 5.403 1.00 0.00 H new ATOM 0 HA LEU A 50 3.692 -5.366 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.155 -6.264 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.927 -5.072 2.813 1.00 0.00 H new ATOM 0 HG LEU A 50 2.345 -6.511 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.641 -8.874 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.527 -7.782 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.994 -8.516 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.545 -8.136 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.182 -7.750 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.098 -6.506 1.167 1.00 0.00 H new ATOM 807 N VAL A 51 2.122 -3.136 4.721 1.00 0.00 N ATOM 808 CA VAL A 51 1.852 -1.711 4.881 1.00 0.00 C ATOM 809 C VAL A 51 3.143 -0.899 4.966 1.00 0.00 C ATOM 810 O VAL A 51 3.271 0.140 4.318 1.00 0.00 O ATOM 811 CB VAL A 51 1.009 -1.446 6.144 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.892 0.045 6.420 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.368 -2.076 6.007 1.00 0.00 C ATOM 0 H VAL A 51 1.813 -3.711 5.505 1.00 0.00 H new ATOM 0 HA VAL A 51 1.295 -1.396 3.999 1.00 0.00 H new ATOM 0 HB VAL A 51 1.517 -1.905 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.292 0.203 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.886 0.466 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.414 0.536 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.949 -1.879 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.879 -1.649 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.264 -3.152 5.871 1.00 0.00 H new ATOM 823 N ARG A 52 4.094 -1.366 5.772 1.00 0.00 N ATOM 824 CA ARG A 52 5.360 -0.658 5.933 1.00 0.00 C ATOM 825 C ARG A 52 6.089 -0.573 4.599 1.00 0.00 C ATOM 826 O ARG A 52 6.688 0.451 4.272 1.00 0.00 O ATOM 827 CB ARG A 52 6.239 -1.343 6.984 1.00 0.00 C ATOM 828 CG ARG A 52 6.718 -2.727 6.580 1.00 0.00 C ATOM 829 CD ARG A 52 8.182 -2.714 6.170 1.00 0.00 C ATOM 830 NE ARG A 52 9.047 -2.239 7.245 1.00 0.00 N ATOM 831 CZ ARG A 52 10.232 -1.671 7.042 1.00 0.00 C ATOM 832 NH1 ARG A 52 10.692 -1.507 5.808 1.00 0.00 N ATOM 833 NH2 ARG A 52 10.959 -1.266 8.074 1.00 0.00 N ATOM 0 H ARG A 52 4.013 -2.223 6.319 1.00 0.00 H new ATOM 0 HA ARG A 52 5.146 0.353 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.106 -0.713 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.680 -1.421 7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.578 -3.418 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.111 -3.096 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.486 -3.719 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.308 -2.076 5.295 1.00 0.00 H new ATOM 0 HE ARG A 52 8.724 -2.349 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.136 -1.817 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.602 -1.071 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.609 -1.390 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.868 -0.830 7.918 1.00 0.00 H new ATOM 847 N LYS A 53 6.008 -1.646 3.816 1.00 0.00 N ATOM 848 CA LYS A 53 6.603 -1.659 2.489 1.00 0.00 C ATOM 849 C LYS A 53 5.837 -0.709 1.578 1.00 0.00 C ATOM 850 O LYS A 53 6.415 -0.049 0.715 1.00 0.00 O ATOM 851 CB LYS A 53 6.589 -3.073 1.906 1.00 0.00 C ATOM 852 CG LYS A 53 7.759 -3.362 0.981 1.00 0.00 C ATOM 853 CD LYS A 53 8.393 -4.708 1.288 1.00 0.00 C ATOM 854 CE LYS A 53 9.544 -4.572 2.272 1.00 0.00 C ATOM 855 NZ LYS A 53 10.829 -4.262 1.587 1.00 0.00 N ATOM 0 H LYS A 53 5.538 -2.512 4.079 1.00 0.00 H new ATOM 0 HA LYS A 53 7.640 -1.331 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.596 -3.794 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.658 -3.222 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.418 -3.347 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.507 -2.575 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.640 -5.381 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.754 -5.160 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.316 -3.784 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.649 -5.498 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.587 -4.178 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.060 -5.026 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.738 -3.365 1.068 1.00 0.00 H new ATOM 869 N LEU A 54 4.525 -0.649 1.790 1.00 0.00 N ATOM 870 CA LEU A 54 3.658 0.237 1.024 1.00 0.00 C ATOM 871 C LEU A 54 3.959 1.696 1.350 1.00 0.00 C ATOM 872 O LEU A 54 3.664 2.593 0.560 1.00 0.00 O ATOM 873 CB LEU A 54 2.189 -0.071 1.333 1.00 0.00 C ATOM 874 CG LEU A 54 1.384 -0.669 0.175 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.245 0.339 -0.954 1.00 0.00 C ATOM 876 CD2 LEU A 54 2.030 -1.954 -0.323 1.00 0.00 C ATOM 0 H LEU A 54 4.038 -1.208 2.491 1.00 0.00 H new ATOM 0 HA LEU A 54 3.845 0.070 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.150 -0.762 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.702 0.850 1.654 1.00 0.00 H new ATOM 0 HG LEU A 54 0.386 -0.912 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.670 -0.103 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.731 1.227 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.234 0.617 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.442 -2.362 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.041 -1.742 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.070 -2.680 0.489 1.00 0.00 H new ATOM 888 N GLN A 55 4.537 1.924 2.526 1.00 0.00 N ATOM 889 CA GLN A 55 4.863 3.273 2.973 1.00 0.00 C ATOM 890 C GLN A 55 5.968 3.885 2.124 1.00 0.00 C ATOM 891 O GLN A 55 6.403 3.300 1.131 1.00 0.00 O ATOM 892 CB GLN A 55 5.296 3.257 4.440 1.00 0.00 C ATOM 893 CG GLN A 55 4.139 3.393 5.417 1.00 0.00 C ATOM 894 CD GLN A 55 4.598 3.720 6.825 1.00 0.00 C ATOM 895 OE1 GLN A 55 5.719 3.396 7.217 1.00 0.00 O ATOM 896 NE2 GLN A 55 3.729 4.363 7.595 1.00 0.00 N ATOM 0 H GLN A 55 4.789 1.190 3.187 1.00 0.00 H new ATOM 0 HA GLN A 55 3.966 3.882 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.825 2.326 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.002 4.069 4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.464 4.175 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.570 2.464 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.810 4.612 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.980 4.608 8.553 1.00 0.00 H new