USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 388 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -83:sc= 1.23 USER MOD Single : A 9 TYR OH : rot -166:sc= 1.88 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.123 X(o=-0.12,f=0.054) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc=-0.00934 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 11.881 17.544 4.462 1.00 0.00 N ATOM 2 CA PRO A 1 12.377 16.833 3.298 1.00 0.00 C ATOM 3 C PRO A 1 11.974 15.388 3.427 1.00 0.00 C ATOM 4 O PRO A 1 11.561 14.980 4.525 1.00 0.00 O ATOM 5 CB PRO A 1 13.886 16.971 3.247 1.00 0.00 C ATOM 6 CG PRO A 1 14.180 18.024 4.268 1.00 0.00 C ATOM 7 CD PRO A 1 13.013 18.025 5.247 1.00 0.00 C ATOM 0 H2 PRO A 1 11.297 16.928 5.028 1.00 0.00 H new ATOM 0 H3 PRO A 1 11.295 18.327 4.173 1.00 0.00 H new ATOM 0 HA PRO A 1 11.961 17.241 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 1 14.382 16.031 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 1 14.228 17.268 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 1 15.117 17.812 4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 1 14.290 19.000 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 1 13.209 17.376 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 1 12.827 19.024 5.642 1.00 0.00 H new ATOM 17 N ARG A 2 12.087 14.624 2.331 1.00 0.00 N ATOM 18 CA ARG A 2 11.698 13.205 2.268 1.00 0.00 C ATOM 19 C ARG A 2 10.180 13.053 2.416 1.00 0.00 C ATOM 20 O ARG A 2 9.624 13.183 3.515 1.00 0.00 O ATOM 21 CB ARG A 2 12.422 12.345 3.320 1.00 0.00 C ATOM 22 CG ARG A 2 12.116 10.861 3.210 1.00 0.00 C ATOM 23 CD ARG A 2 12.698 10.079 4.369 1.00 0.00 C ATOM 24 NE ARG A 2 12.052 10.419 5.647 1.00 0.00 N ATOM 25 CZ ARG A 2 12.262 9.783 6.811 1.00 0.00 C ATOM 26 NH1 ARG A 2 13.138 8.787 6.881 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.591 10.141 7.902 1.00 0.00 N ATOM 0 H ARG A 2 12.457 14.979 1.449 1.00 0.00 H new ATOM 0 HA ARG A 2 12.003 12.840 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.497 12.494 3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.143 12.692 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.036 10.714 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.518 10.475 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.585 9.012 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.767 10.278 4.440 1.00 0.00 H new ATOM 0 HE ARG A 2 11.394 11.198 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.654 8.502 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.294 8.307 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.913 10.902 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.754 9.655 8.784 1.00 0.00 H new ATOM 41 N GLY A 3 9.521 12.796 1.329 1.00 0.00 N ATOM 42 CA GLY A 3 8.102 12.648 1.357 1.00 0.00 C ATOM 43 C GLY A 3 7.613 11.803 0.223 1.00 0.00 C ATOM 44 O GLY A 3 6.929 12.287 -0.676 1.00 0.00 O ATOM 0 H GLY A 3 9.946 12.684 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 3 7.801 12.198 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.632 13.630 1.308 1.00 0.00 H new ATOM 48 N SER A 4 7.977 10.558 0.230 1.00 0.00 N ATOM 49 CA SER A 4 7.534 9.661 -0.790 1.00 0.00 C ATOM 50 C SER A 4 6.564 8.645 -0.185 1.00 0.00 C ATOM 51 O SER A 4 6.997 7.708 0.491 1.00 0.00 O ATOM 52 CB SER A 4 8.741 8.968 -1.414 1.00 0.00 C ATOM 53 OG SER A 4 9.679 9.936 -1.896 1.00 0.00 O ATOM 0 H SER A 4 8.583 10.139 0.935 1.00 0.00 H new ATOM 0 HA SER A 4 7.011 10.210 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.220 8.324 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.417 8.327 -2.234 1.00 0.00 H new ATOM 0 HG SER A 4 10.449 9.477 -2.292 1.00 0.00 H new ATOM 59 N PRO A 5 5.229 8.826 -0.397 1.00 0.00 N ATOM 60 CA PRO A 5 4.191 7.946 0.179 1.00 0.00 C ATOM 61 C PRO A 5 4.364 6.474 -0.220 1.00 0.00 C ATOM 62 O PRO A 5 3.867 5.569 0.463 1.00 0.00 O ATOM 63 CB PRO A 5 2.872 8.508 -0.379 1.00 0.00 C ATOM 64 CG PRO A 5 3.267 9.356 -1.540 1.00 0.00 C ATOM 65 CD PRO A 5 4.621 9.903 -1.213 1.00 0.00 C ATOM 0 HA PRO A 5 4.236 7.944 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.202 7.706 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.344 9.093 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.295 8.770 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.549 10.161 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.203 10.105 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.555 10.840 -0.660 1.00 0.00 H new ATOM 73 N ARG A 6 5.096 6.247 -1.312 1.00 0.00 N ATOM 74 CA ARG A 6 5.385 4.908 -1.793 1.00 0.00 C ATOM 75 C ARG A 6 6.114 4.073 -0.749 1.00 0.00 C ATOM 76 O ARG A 6 5.887 2.894 -0.670 1.00 0.00 O ATOM 77 CB ARG A 6 6.196 4.932 -3.091 1.00 0.00 C ATOM 78 CG ARG A 6 6.591 3.551 -3.581 1.00 0.00 C ATOM 79 CD ARG A 6 7.369 3.607 -4.862 1.00 0.00 C ATOM 80 NE ARG A 6 7.820 2.281 -5.257 1.00 0.00 N ATOM 81 CZ ARG A 6 8.017 1.873 -6.505 1.00 0.00 C ATOM 82 NH1 ARG A 6 7.769 2.685 -7.532 1.00 0.00 N ATOM 83 NH2 ARG A 6 8.448 0.638 -6.717 1.00 0.00 N ATOM 0 H ARG A 6 5.501 6.989 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 6 4.420 4.443 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.614 5.431 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.097 5.526 -2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.188 3.053 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.694 2.949 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.748 4.034 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.229 4.266 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 6 8.000 1.608 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.424 3.630 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.924 2.361 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.623 0.016 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.604 0.309 -7.670 1.00 0.00 H new ATOM 97 N THR A 7 6.946 4.693 0.072 1.00 0.00 N ATOM 98 CA THR A 7 7.709 3.946 1.066 1.00 0.00 C ATOM 99 C THR A 7 6.784 3.211 2.051 1.00 0.00 C ATOM 100 O THR A 7 6.975 2.019 2.332 1.00 0.00 O ATOM 101 CB THR A 7 8.699 4.857 1.818 1.00 0.00 C ATOM 102 OG1 THR A 7 8.018 6.024 2.307 1.00 0.00 O ATOM 103 CG2 THR A 7 9.846 5.270 0.911 1.00 0.00 C ATOM 0 H THR A 7 7.111 5.700 0.073 1.00 0.00 H new ATOM 0 HA THR A 7 8.288 3.195 0.529 1.00 0.00 H new ATOM 0 HB THR A 7 9.108 4.299 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.963 6.694 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.533 5.913 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.377 4.382 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.453 5.812 0.051 1.00 0.00 H new ATOM 111 N GLU A 8 5.756 3.917 2.500 1.00 0.00 N ATOM 112 CA GLU A 8 4.753 3.391 3.414 1.00 0.00 C ATOM 113 C GLU A 8 3.945 2.300 2.705 1.00 0.00 C ATOM 114 O GLU A 8 3.738 1.191 3.226 1.00 0.00 O ATOM 115 CB GLU A 8 3.809 4.535 3.805 1.00 0.00 C ATOM 116 CG GLU A 8 2.815 4.192 4.892 1.00 0.00 C ATOM 117 CD GLU A 8 3.502 3.920 6.190 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.996 4.876 6.806 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.567 2.749 6.626 1.00 0.00 O ATOM 0 H GLU A 8 5.593 4.888 2.234 1.00 0.00 H new ATOM 0 HA GLU A 8 5.233 2.973 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.407 5.385 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.261 4.855 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.111 5.015 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.235 3.318 4.595 1.00 0.00 H new ATOM 126 N TYR A 9 3.534 2.628 1.505 1.00 0.00 N ATOM 127 CA TYR A 9 2.726 1.803 0.664 1.00 0.00 C ATOM 128 C TYR A 9 3.433 0.497 0.289 1.00 0.00 C ATOM 129 O TYR A 9 2.863 -0.590 0.430 1.00 0.00 O ATOM 130 CB TYR A 9 2.383 2.652 -0.543 1.00 0.00 C ATOM 131 CG TYR A 9 1.976 1.940 -1.779 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.861 1.842 -2.824 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.723 1.409 -1.924 1.00 0.00 C ATOM 134 CE1 TYR A 9 2.506 1.229 -3.999 1.00 0.00 C ATOM 135 CE2 TYR A 9 0.348 0.790 -3.086 1.00 0.00 C ATOM 136 CZ TYR A 9 1.240 0.703 -4.127 1.00 0.00 C ATOM 137 OH TYR A 9 0.863 0.080 -5.300 1.00 0.00 O ATOM 0 H TYR A 9 3.769 3.522 1.074 1.00 0.00 H new ATOM 0 HA TYR A 9 1.820 1.480 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.576 3.329 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.250 3.270 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.854 2.254 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.019 1.479 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.211 1.160 -4.814 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.643 0.373 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.110 -0.034 -5.312 1.00 0.00 H new ATOM 147 N GLU A 10 4.656 0.613 -0.158 1.00 0.00 N ATOM 148 CA GLU A 10 5.451 -0.518 -0.549 1.00 0.00 C ATOM 149 C GLU A 10 5.730 -1.395 0.662 1.00 0.00 C ATOM 150 O GLU A 10 5.623 -2.599 0.577 1.00 0.00 O ATOM 151 CB GLU A 10 6.742 -0.044 -1.209 1.00 0.00 C ATOM 152 CG GLU A 10 7.541 -1.127 -1.901 1.00 0.00 C ATOM 153 CD GLU A 10 8.706 -0.558 -2.659 1.00 0.00 C ATOM 154 OE1 GLU A 10 8.498 0.083 -3.715 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.856 -0.742 -2.231 1.00 0.00 O ATOM 0 H GLU A 10 5.133 1.509 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 10 4.905 -1.116 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.497 0.728 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.371 0.422 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.902 -1.842 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.894 -1.676 -2.586 1.00 0.00 H new ATOM 162 N ALA A 11 6.006 -0.773 1.808 1.00 0.00 N ATOM 163 CA ALA A 11 6.256 -1.521 3.043 1.00 0.00 C ATOM 164 C ALA A 11 4.998 -2.276 3.469 1.00 0.00 C ATOM 165 O ALA A 11 5.075 -3.351 4.064 1.00 0.00 O ATOM 166 CB ALA A 11 6.716 -0.597 4.153 1.00 0.00 C ATOM 0 H ALA A 11 6.062 0.240 1.909 1.00 0.00 H new ATOM 0 HA ALA A 11 7.051 -2.241 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.895 -1.177 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.638 -0.099 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.946 0.150 4.347 1.00 0.00 H new ATOM 172 N CYS A 12 3.850 -1.703 3.158 1.00 0.00 N ATOM 173 CA CYS A 12 2.560 -2.314 3.441 1.00 0.00 C ATOM 174 C CYS A 12 2.419 -3.579 2.579 1.00 0.00 C ATOM 175 O CYS A 12 2.083 -4.667 3.081 1.00 0.00 O ATOM 176 CB CYS A 12 1.434 -1.290 3.133 1.00 0.00 C ATOM 177 SG CYS A 12 -0.276 -1.810 3.528 1.00 0.00 S ATOM 0 H CYS A 12 3.784 -0.795 2.699 1.00 0.00 H new ATOM 0 HA CYS A 12 2.483 -2.596 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.647 -0.373 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.479 -1.043 2.072 1.00 0.00 H new ATOM 182 N ARG A 13 2.764 -3.441 1.295 1.00 0.00 N ATOM 183 CA ARG A 13 2.703 -4.544 0.345 1.00 0.00 C ATOM 184 C ARG A 13 3.717 -5.626 0.709 1.00 0.00 C ATOM 185 O ARG A 13 3.374 -6.806 0.773 1.00 0.00 O ATOM 186 CB ARG A 13 2.950 -4.048 -1.086 1.00 0.00 C ATOM 187 CG ARG A 13 1.871 -3.124 -1.631 1.00 0.00 C ATOM 188 CD ARG A 13 2.204 -2.632 -3.039 1.00 0.00 C ATOM 189 NE ARG A 13 2.380 -3.733 -3.999 1.00 0.00 N ATOM 190 CZ ARG A 13 2.065 -3.688 -5.308 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.464 -2.617 -5.833 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.340 -4.730 -6.083 1.00 0.00 N ATOM 0 H ARG A 13 3.091 -2.563 0.891 1.00 0.00 H new ATOM 0 HA ARG A 13 1.702 -4.973 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.906 -3.526 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.038 -4.911 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.916 -3.649 -1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.754 -2.269 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.407 -1.975 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.116 -2.036 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 13 2.774 -4.604 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.237 -1.818 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.232 -2.598 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.787 -5.557 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.105 -4.704 -7.075 1.00 0.00 H new ATOM 206 N VAL A 14 4.951 -5.202 0.982 1.00 0.00 N ATOM 207 CA VAL A 14 6.040 -6.111 1.354 1.00 0.00 C ATOM 208 C VAL A 14 5.712 -6.871 2.641 1.00 0.00 C ATOM 209 O VAL A 14 6.007 -8.062 2.751 1.00 0.00 O ATOM 210 CB VAL A 14 7.415 -5.370 1.482 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.508 -6.313 1.970 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.829 -4.776 0.142 1.00 0.00 C ATOM 0 H VAL A 14 5.226 -4.220 0.952 1.00 0.00 H new ATOM 0 HA VAL A 14 6.136 -6.833 0.543 1.00 0.00 H new ATOM 0 HB VAL A 14 7.288 -4.571 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.449 -5.769 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.236 -6.710 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.622 -7.135 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.786 -4.265 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.924 -5.573 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.073 -4.064 -0.189 1.00 0.00 H new ATOM 222 N ARG A 15 5.065 -6.192 3.590 1.00 0.00 N ATOM 223 CA ARG A 15 4.647 -6.822 4.842 1.00 0.00 C ATOM 224 C ARG A 15 3.759 -8.015 4.535 1.00 0.00 C ATOM 225 O ARG A 15 3.993 -9.115 5.012 1.00 0.00 O ATOM 226 CB ARG A 15 3.896 -5.829 5.740 1.00 0.00 C ATOM 227 CG ARG A 15 3.502 -6.398 7.096 1.00 0.00 C ATOM 228 CD ARG A 15 2.759 -5.381 7.944 1.00 0.00 C ATOM 229 NE ARG A 15 2.485 -5.896 9.290 1.00 0.00 N ATOM 230 CZ ARG A 15 2.139 -5.150 10.350 1.00 0.00 C ATOM 231 NH1 ARG A 15 1.935 -3.839 10.213 1.00 0.00 N ATOM 232 NH2 ARG A 15 1.995 -5.719 11.547 1.00 0.00 N ATOM 0 H ARG A 15 4.819 -5.205 3.514 1.00 0.00 H new ATOM 0 HA ARG A 15 5.538 -7.152 5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.521 -4.949 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.997 -5.495 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.875 -7.278 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.396 -6.727 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.349 -4.467 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.820 -5.117 7.457 1.00 0.00 H new ATOM 0 HE ARG A 15 2.564 -6.903 9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.042 -3.399 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.672 -3.276 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.148 -6.721 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.732 -5.152 12.353 1.00 0.00 H new ATOM 246 N CYS A 16 2.786 -7.805 3.690 1.00 0.00 N ATOM 247 CA CYS A 16 1.893 -8.869 3.297 1.00 0.00 C ATOM 248 C CYS A 16 2.575 -9.891 2.399 1.00 0.00 C ATOM 249 O CYS A 16 2.236 -11.075 2.420 1.00 0.00 O ATOM 250 CB CYS A 16 0.656 -8.311 2.640 1.00 0.00 C ATOM 251 SG CYS A 16 -0.409 -7.379 3.774 1.00 0.00 S ATOM 0 H CYS A 16 2.588 -6.903 3.257 1.00 0.00 H new ATOM 0 HA CYS A 16 1.596 -9.394 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.953 -7.661 1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.083 -9.131 2.208 1.00 0.00 H new ATOM 256 N GLN A 17 3.552 -9.444 1.655 1.00 0.00 N ATOM 257 CA GLN A 17 4.286 -10.296 0.752 1.00 0.00 C ATOM 258 C GLN A 17 5.054 -11.359 1.541 1.00 0.00 C ATOM 259 O GLN A 17 5.085 -12.528 1.159 1.00 0.00 O ATOM 260 CB GLN A 17 5.228 -9.431 -0.087 1.00 0.00 C ATOM 261 CG GLN A 17 5.972 -10.151 -1.187 1.00 0.00 C ATOM 262 CD GLN A 17 6.867 -9.210 -1.964 1.00 0.00 C ATOM 263 OE1 GLN A 17 7.376 -8.222 -1.424 1.00 0.00 O ATOM 264 NE2 GLN A 17 7.054 -9.480 -3.222 1.00 0.00 N ATOM 0 H GLN A 17 3.864 -8.473 1.657 1.00 0.00 H new ATOM 0 HA GLN A 17 3.600 -10.816 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.649 -8.623 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.958 -8.970 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.572 -10.952 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.257 -10.617 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.619 -10.304 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.636 -8.868 -3.794 1.00 0.00 H new ATOM 273 N VAL A 18 5.628 -10.959 2.655 1.00 0.00 N ATOM 274 CA VAL A 18 6.390 -11.878 3.470 1.00 0.00 C ATOM 275 C VAL A 18 5.542 -12.546 4.583 1.00 0.00 C ATOM 276 O VAL A 18 5.605 -13.766 4.759 1.00 0.00 O ATOM 277 CB VAL A 18 7.684 -11.214 4.053 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.366 -10.015 4.940 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.543 -12.231 4.793 1.00 0.00 C ATOM 0 H VAL A 18 5.581 -10.006 3.016 1.00 0.00 H new ATOM 0 HA VAL A 18 6.706 -12.678 2.801 1.00 0.00 H new ATOM 0 HB VAL A 18 8.258 -10.842 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.294 -9.588 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.833 -9.263 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.744 -10.336 5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.433 -11.739 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.972 -12.659 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.840 -13.024 4.107 1.00 0.00 H new ATOM 289 N ALA A 19 4.721 -11.767 5.285 1.00 0.00 N ATOM 290 CA ALA A 19 3.964 -12.284 6.424 1.00 0.00 C ATOM 291 C ALA A 19 2.674 -12.997 6.015 1.00 0.00 C ATOM 292 O ALA A 19 2.348 -14.061 6.555 1.00 0.00 O ATOM 293 CB ALA A 19 3.674 -11.180 7.432 1.00 0.00 C ATOM 0 H ALA A 19 4.563 -10.779 5.086 1.00 0.00 H new ATOM 0 HA ALA A 19 4.597 -13.035 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.110 -11.591 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.613 -10.764 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.091 -10.394 6.953 1.00 0.00 H new ATOM 299 N GLU A 20 1.939 -12.435 5.075 1.00 0.00 N ATOM 300 CA GLU A 20 0.700 -13.063 4.632 1.00 0.00 C ATOM 301 C GLU A 20 1.021 -14.219 3.706 1.00 0.00 C ATOM 302 O GLU A 20 0.601 -15.352 3.955 1.00 0.00 O ATOM 303 CB GLU A 20 -0.221 -12.070 3.916 1.00 0.00 C ATOM 304 CG GLU A 20 -0.701 -10.911 4.766 1.00 0.00 C ATOM 305 CD GLU A 20 -1.585 -11.330 5.901 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.078 -11.542 7.018 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.803 -11.431 5.708 1.00 0.00 O ATOM 0 H GLU A 20 2.169 -11.559 4.607 1.00 0.00 H new ATOM 0 HA GLU A 20 0.174 -13.424 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.305 -11.671 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.090 -12.610 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.164 -10.381 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.243 -10.207 4.134 1.00 0.00 H new ATOM 314 N HIS A 21 1.756 -13.914 2.628 1.00 0.00 N ATOM 315 CA HIS A 21 2.215 -14.890 1.604 1.00 0.00 C ATOM 316 C HIS A 21 1.066 -15.413 0.712 1.00 0.00 C ATOM 317 O HIS A 21 1.227 -15.523 -0.510 1.00 0.00 O ATOM 318 CB HIS A 21 3.051 -16.042 2.238 1.00 0.00 C ATOM 319 CG HIS A 21 3.515 -17.116 1.280 1.00 0.00 C ATOM 320 ND1 HIS A 21 4.697 -17.074 0.571 1.00 0.00 N ATOM 321 CD2 HIS A 21 2.927 -18.289 0.942 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.785 -18.192 -0.157 1.00 0.00 C ATOM 323 NE2 HIS A 21 3.731 -18.966 0.032 1.00 0.00 N ATOM 0 H HIS A 21 2.061 -12.961 2.430 1.00 0.00 H new ATOM 0 HA HIS A 21 2.881 -14.346 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.927 -15.608 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.455 -16.511 3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.980 -18.643 1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.609 -18.431 -0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.546 -19.871 -0.400 1.00 0.00 H new ATOM 331 N GLY A 22 -0.065 -15.728 1.322 1.00 0.00 N ATOM 332 CA GLY A 22 -1.227 -16.209 0.604 1.00 0.00 C ATOM 333 C GLY A 22 -1.709 -15.232 -0.451 1.00 0.00 C ATOM 334 O GLY A 22 -1.724 -14.015 -0.222 1.00 0.00 O ATOM 0 H GLY A 22 -0.200 -15.656 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.988 -17.161 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.033 -16.400 1.312 1.00 0.00 H new ATOM 338 N VAL A 23 -2.134 -15.761 -1.580 1.00 0.00 N ATOM 339 CA VAL A 23 -2.523 -14.961 -2.735 1.00 0.00 C ATOM 340 C VAL A 23 -3.827 -14.186 -2.464 1.00 0.00 C ATOM 341 O VAL A 23 -4.006 -13.064 -2.948 1.00 0.00 O ATOM 342 CB VAL A 23 -2.665 -15.847 -4.013 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.908 -15.004 -5.257 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.431 -16.725 -4.201 1.00 0.00 C ATOM 0 H VAL A 23 -2.222 -16.766 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.729 -14.235 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.535 -16.488 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.001 -15.656 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.826 -14.430 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.071 -14.322 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.551 -17.334 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.548 -16.094 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.311 -17.375 -3.334 1.00 0.00 H new ATOM 354 N GLU A 24 -4.723 -14.763 -1.677 1.00 0.00 N ATOM 355 CA GLU A 24 -5.964 -14.070 -1.321 1.00 0.00 C ATOM 356 C GLU A 24 -5.651 -12.962 -0.341 1.00 0.00 C ATOM 357 O GLU A 24 -6.156 -11.840 -0.464 1.00 0.00 O ATOM 358 CB GLU A 24 -6.994 -15.016 -0.695 1.00 0.00 C ATOM 359 CG GLU A 24 -7.399 -16.174 -1.575 1.00 0.00 C ATOM 360 CD GLU A 24 -7.989 -15.732 -2.885 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.248 -15.629 -3.882 1.00 0.00 O ATOM 362 OE2 GLU A 24 -9.203 -15.481 -2.949 1.00 0.00 O ATOM 0 H GLU A 24 -4.622 -15.695 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.394 -13.667 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.588 -15.409 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.885 -14.443 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.528 -16.800 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.125 -16.791 -1.045 1.00 0.00 H new ATOM 369 N ARG A 25 -4.778 -13.274 0.597 1.00 0.00 N ATOM 370 CA ARG A 25 -4.367 -12.331 1.627 1.00 0.00 C ATOM 371 C ARG A 25 -3.657 -11.139 0.991 1.00 0.00 C ATOM 372 O ARG A 25 -3.949 -9.984 1.309 1.00 0.00 O ATOM 373 CB ARG A 25 -3.446 -13.018 2.640 1.00 0.00 C ATOM 374 CG ARG A 25 -4.054 -14.236 3.332 1.00 0.00 C ATOM 375 CD ARG A 25 -5.273 -13.878 4.175 1.00 0.00 C ATOM 376 NE ARG A 25 -4.940 -12.976 5.282 1.00 0.00 N ATOM 377 CZ ARG A 25 -5.720 -12.723 6.326 1.00 0.00 C ATOM 378 NH1 ARG A 25 -6.938 -13.246 6.408 1.00 0.00 N ATOM 379 NH2 ARG A 25 -5.276 -11.936 7.287 1.00 0.00 N ATOM 0 H ARG A 25 -4.332 -14.188 0.669 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.254 -11.974 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.533 -13.325 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.158 -12.291 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.339 -14.973 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.301 -14.703 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.025 -13.409 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.717 -14.790 4.574 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.036 -12.505 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.285 -13.850 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.527 -13.043 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.343 -11.529 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.866 -11.734 8.094 1.00 0.00 H new ATOM 393 N GLN A 26 -2.760 -11.428 0.055 1.00 0.00 N ATOM 394 CA GLN A 26 -2.034 -10.394 -0.666 1.00 0.00 C ATOM 395 C GLN A 26 -2.984 -9.589 -1.558 1.00 0.00 C ATOM 396 O GLN A 26 -2.798 -8.399 -1.744 1.00 0.00 O ATOM 397 CB GLN A 26 -0.893 -10.996 -1.499 1.00 0.00 C ATOM 398 CG GLN A 26 -0.086 -9.969 -2.297 1.00 0.00 C ATOM 399 CD GLN A 26 0.633 -8.950 -1.423 1.00 0.00 C ATOM 400 OE1 GLN A 26 0.088 -7.898 -1.077 1.00 0.00 O ATOM 401 NE2 GLN A 26 1.855 -9.224 -1.096 1.00 0.00 N ATOM 0 H GLN A 26 -2.518 -12.379 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.594 -9.720 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.218 -11.534 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.310 -11.729 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.648 -10.492 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.755 -9.444 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.279 -10.102 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.394 -8.562 -0.538 1.00 0.00 H new ATOM 410 N ARG A 27 -4.018 -10.235 -2.076 1.00 0.00 N ATOM 411 CA ARG A 27 -4.990 -9.550 -2.920 1.00 0.00 C ATOM 412 C ARG A 27 -5.720 -8.488 -2.092 1.00 0.00 C ATOM 413 O ARG A 27 -5.998 -7.389 -2.577 1.00 0.00 O ATOM 414 CB ARG A 27 -5.981 -10.547 -3.527 1.00 0.00 C ATOM 415 CG ARG A 27 -6.897 -9.968 -4.605 1.00 0.00 C ATOM 416 CD ARG A 27 -6.098 -9.470 -5.811 1.00 0.00 C ATOM 417 NE ARG A 27 -5.304 -10.547 -6.440 1.00 0.00 N ATOM 418 CZ ARG A 27 -4.037 -10.425 -6.884 1.00 0.00 C ATOM 419 NH1 ARG A 27 -3.381 -9.274 -6.744 1.00 0.00 N ATOM 420 NH2 ARG A 27 -3.440 -11.452 -7.470 1.00 0.00 N ATOM 0 H ARG A 27 -4.207 -11.227 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.469 -9.063 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.421 -11.379 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.598 -10.956 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.608 -10.729 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.478 -9.146 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.781 -9.047 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.432 -8.667 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.752 -11.457 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.837 -8.478 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.423 -9.189 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.939 -12.334 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.481 -11.361 -7.806 1.00 0.00 H new ATOM 434 N ARG A 28 -5.980 -8.819 -0.831 1.00 0.00 N ATOM 435 CA ARG A 28 -6.592 -7.884 0.096 1.00 0.00 C ATOM 436 C ARG A 28 -5.619 -6.750 0.370 1.00 0.00 C ATOM 437 O ARG A 28 -5.974 -5.582 0.274 1.00 0.00 O ATOM 438 CB ARG A 28 -6.973 -8.580 1.411 1.00 0.00 C ATOM 439 CG ARG A 28 -7.619 -7.657 2.442 1.00 0.00 C ATOM 440 CD ARG A 28 -7.966 -8.410 3.708 1.00 0.00 C ATOM 441 NE ARG A 28 -8.569 -7.544 4.732 1.00 0.00 N ATOM 442 CZ ARG A 28 -8.952 -7.948 5.955 1.00 0.00 C ATOM 443 NH1 ARG A 28 -8.813 -9.217 6.319 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.492 -7.085 6.797 1.00 0.00 N ATOM 0 H ARG A 28 -5.774 -9.734 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.505 -7.491 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.659 -9.398 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.078 -9.024 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.939 -6.838 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.521 -7.212 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.657 -9.218 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.064 -8.870 4.112 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.707 -6.561 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.413 -9.893 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.106 -9.516 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.618 -6.112 6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.783 -7.392 7.725 1.00 0.00 H new ATOM 458 N CYS A 29 -4.387 -7.109 0.670 1.00 0.00 N ATOM 459 CA CYS A 29 -3.350 -6.144 0.950 1.00 0.00 C ATOM 460 C CYS A 29 -3.098 -5.204 -0.211 1.00 0.00 C ATOM 461 O CYS A 29 -3.008 -4.013 -0.004 1.00 0.00 O ATOM 462 CB CYS A 29 -2.081 -6.830 1.377 1.00 0.00 C ATOM 463 SG CYS A 29 -2.227 -7.681 2.971 1.00 0.00 S ATOM 0 H CYS A 29 -4.079 -8.080 0.726 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.706 -5.529 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.792 -7.552 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.281 -6.093 1.439 1.00 0.00 H new ATOM 468 N GLN A 30 -3.023 -5.733 -1.427 1.00 0.00 N ATOM 469 CA GLN A 30 -2.837 -4.909 -2.620 1.00 0.00 C ATOM 470 C GLN A 30 -3.919 -3.838 -2.677 1.00 0.00 C ATOM 471 O GLN A 30 -3.629 -2.663 -2.865 1.00 0.00 O ATOM 472 CB GLN A 30 -2.918 -5.760 -3.883 1.00 0.00 C ATOM 473 CG GLN A 30 -2.702 -4.967 -5.165 1.00 0.00 C ATOM 474 CD GLN A 30 -2.947 -5.789 -6.397 1.00 0.00 C ATOM 475 OE1 GLN A 30 -2.037 -6.429 -6.928 1.00 0.00 O ATOM 476 NE2 GLN A 30 -4.171 -5.799 -6.857 1.00 0.00 N ATOM 0 H GLN A 30 -3.088 -6.733 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.852 -4.446 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.172 -6.553 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.894 -6.243 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.367 -4.103 -5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.682 -4.584 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.896 -5.256 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.401 -6.350 -7.684 1.00 0.00 H new ATOM 485 N GLN A 31 -5.149 -4.272 -2.458 1.00 0.00 N ATOM 486 CA GLN A 31 -6.317 -3.413 -2.471 1.00 0.00 C ATOM 487 C GLN A 31 -6.220 -2.345 -1.366 1.00 0.00 C ATOM 488 O GLN A 31 -6.319 -1.136 -1.631 1.00 0.00 O ATOM 489 CB GLN A 31 -7.563 -4.276 -2.245 1.00 0.00 C ATOM 490 CG GLN A 31 -8.874 -3.521 -2.289 1.00 0.00 C ATOM 491 CD GLN A 31 -10.072 -4.374 -1.896 1.00 0.00 C ATOM 492 OE1 GLN A 31 -10.005 -5.668 -2.139 1.00 0.00 O flip ATOM 493 NE2 GLN A 31 -11.064 -3.863 -1.369 1.00 0.00 N flip ATOM 0 H GLN A 31 -5.366 -5.249 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.378 -2.904 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.586 -5.061 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.476 -4.769 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.813 -2.662 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.028 -3.132 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.088 -2.859 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.860 -4.445 -1.109 1.00 0.00 H new ATOM 502 N VAL A 32 -5.996 -2.802 -0.145 1.00 0.00 N ATOM 503 CA VAL A 32 -5.957 -1.941 1.029 1.00 0.00 C ATOM 504 C VAL A 32 -4.752 -1.000 1.021 1.00 0.00 C ATOM 505 O VAL A 32 -4.896 0.182 1.287 1.00 0.00 O ATOM 506 CB VAL A 32 -6.003 -2.764 2.350 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.919 -1.860 3.581 1.00 0.00 C ATOM 508 CG2 VAL A 32 -7.280 -3.587 2.396 1.00 0.00 C ATOM 0 H VAL A 32 -5.835 -3.788 0.062 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.854 -1.323 0.984 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.137 -3.426 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.954 -2.470 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.984 -1.300 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.759 -1.165 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.309 -4.162 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.143 -2.922 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.305 -4.268 1.545 1.00 0.00 H new ATOM 518 N CYS A 33 -3.591 -1.505 0.680 1.00 0.00 N ATOM 519 CA CYS A 33 -2.392 -0.681 0.659 1.00 0.00 C ATOM 520 C CYS A 33 -2.474 0.350 -0.472 1.00 0.00 C ATOM 521 O CYS A 33 -1.985 1.467 -0.329 1.00 0.00 O ATOM 522 CB CYS A 33 -1.113 -1.534 0.551 1.00 0.00 C ATOM 523 SG CYS A 33 -0.922 -2.807 1.872 1.00 0.00 S ATOM 0 H CYS A 33 -3.444 -2.478 0.413 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.335 -0.147 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.106 -2.032 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.248 -0.872 0.576 1.00 0.00 H new ATOM 528 N GLU A 34 -3.144 -0.015 -1.576 1.00 0.00 N ATOM 529 CA GLU A 34 -3.342 0.901 -2.700 1.00 0.00 C ATOM 530 C GLU A 34 -4.289 2.004 -2.249 1.00 0.00 C ATOM 531 O GLU A 34 -4.078 3.175 -2.527 1.00 0.00 O ATOM 532 CB GLU A 34 -3.954 0.157 -3.888 1.00 0.00 C ATOM 533 CG GLU A 34 -3.833 0.872 -5.218 1.00 0.00 C ATOM 534 CD GLU A 34 -2.400 1.010 -5.661 1.00 0.00 C ATOM 535 OE1 GLU A 34 -1.877 2.119 -5.696 1.00 0.00 O ATOM 536 OE2 GLU A 34 -1.759 -0.015 -5.993 1.00 0.00 O ATOM 0 H GLU A 34 -3.556 -0.938 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.385 1.319 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.477 -0.819 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.009 -0.021 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.395 0.325 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.284 1.861 -5.139 1.00 0.00 H new ATOM 543 N LYS A 35 -5.320 1.600 -1.514 1.00 0.00 N ATOM 544 CA LYS A 35 -6.284 2.519 -0.932 1.00 0.00 C ATOM 545 C LYS A 35 -5.578 3.479 0.006 1.00 0.00 C ATOM 546 O LYS A 35 -5.788 4.689 -0.057 1.00 0.00 O ATOM 547 CB LYS A 35 -7.354 1.742 -0.171 1.00 0.00 C ATOM 548 CG LYS A 35 -8.311 2.615 0.630 1.00 0.00 C ATOM 549 CD LYS A 35 -9.322 1.782 1.394 1.00 0.00 C ATOM 550 CE LYS A 35 -10.290 1.076 0.465 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.157 2.027 -0.270 1.00 0.00 N ATOM 0 H LYS A 35 -5.509 0.619 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.761 3.086 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.930 1.149 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.865 1.042 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.744 3.231 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.833 3.295 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.799 1.044 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.878 2.423 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.730 0.472 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.912 0.392 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.939 1.508 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.542 2.729 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.599 2.511 -1.002 1.00 0.00 H new ATOM 565 N ARG A 36 -4.733 2.921 0.864 1.00 0.00 N ATOM 566 CA ARG A 36 -3.944 3.702 1.799 1.00 0.00 C ATOM 567 C ARG A 36 -3.097 4.707 1.068 1.00 0.00 C ATOM 568 O ARG A 36 -3.034 5.851 1.460 1.00 0.00 O ATOM 569 CB ARG A 36 -3.053 2.821 2.660 1.00 0.00 C ATOM 570 CG ARG A 36 -3.791 1.979 3.679 1.00 0.00 C ATOM 571 CD ARG A 36 -2.817 1.174 4.518 1.00 0.00 C ATOM 572 NE ARG A 36 -1.815 2.037 5.160 1.00 0.00 N ATOM 573 CZ ARG A 36 -0.969 1.669 6.122 1.00 0.00 C ATOM 574 NH1 ARG A 36 -0.981 0.431 6.597 1.00 0.00 N ATOM 575 NH2 ARG A 36 -0.115 2.557 6.610 1.00 0.00 N ATOM 0 H ARG A 36 -4.578 1.915 0.929 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.645 4.222 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.480 2.160 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.336 3.454 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.389 2.622 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.482 1.307 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.364 0.621 5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.315 0.439 3.889 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.762 3.004 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.642 -0.251 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.329 0.161 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.110 3.511 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.537 2.286 7.346 1.00 0.00 H new ATOM 589 N LEU A 37 -2.470 4.267 -0.010 1.00 0.00 N ATOM 590 CA LEU A 37 -1.651 5.133 -0.834 1.00 0.00 C ATOM 591 C LEU A 37 -2.491 6.234 -1.449 1.00 0.00 C ATOM 592 O LEU A 37 -2.163 7.398 -1.333 1.00 0.00 O ATOM 593 CB LEU A 37 -0.956 4.337 -1.938 1.00 0.00 C ATOM 594 CG LEU A 37 -0.110 5.150 -2.921 1.00 0.00 C ATOM 595 CD1 LEU A 37 1.035 5.859 -2.222 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.409 4.284 -4.032 1.00 0.00 C ATOM 0 H LEU A 37 -2.516 3.302 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.891 5.581 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.316 3.589 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.716 3.798 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.760 5.911 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.612 6.425 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.636 6.539 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.680 5.123 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.006 4.888 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.027 3.489 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.429 3.846 -4.574 1.00 0.00 H new ATOM 608 N ARG A 38 -3.595 5.866 -2.050 1.00 0.00 N ATOM 609 CA ARG A 38 -4.451 6.822 -2.722 1.00 0.00 C ATOM 610 C ARG A 38 -5.091 7.815 -1.771 1.00 0.00 C ATOM 611 O ARG A 38 -5.346 8.947 -2.143 1.00 0.00 O ATOM 612 CB ARG A 38 -5.476 6.137 -3.610 1.00 0.00 C ATOM 613 CG ARG A 38 -4.850 5.393 -4.786 1.00 0.00 C ATOM 614 CD ARG A 38 -3.998 6.327 -5.645 1.00 0.00 C ATOM 615 NE ARG A 38 -4.781 7.460 -6.154 1.00 0.00 N ATOM 616 CZ ARG A 38 -4.284 8.640 -6.544 1.00 0.00 C ATOM 617 NH1 ARG A 38 -2.998 8.949 -6.340 1.00 0.00 N ATOM 618 NH2 ARG A 38 -5.091 9.538 -7.090 1.00 0.00 N ATOM 0 H ARG A 38 -3.928 4.903 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.802 7.408 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.055 5.435 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.174 6.883 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.234 4.574 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.635 4.949 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.159 6.699 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.578 5.770 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.792 7.337 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.380 8.280 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.636 9.853 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.082 9.327 -7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.721 10.440 -7.390 1.00 0.00 H new ATOM 632 N GLU A 39 -5.349 7.414 -0.564 1.00 0.00 N ATOM 633 CA GLU A 39 -5.833 8.340 0.433 1.00 0.00 C ATOM 634 C GLU A 39 -4.677 9.123 1.050 1.00 0.00 C ATOM 635 O GLU A 39 -4.838 10.254 1.469 1.00 0.00 O ATOM 636 CB GLU A 39 -6.633 7.620 1.485 1.00 0.00 C ATOM 637 CG GLU A 39 -8.010 7.171 1.014 1.00 0.00 C ATOM 638 CD GLU A 39 -8.955 8.342 0.773 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.406 8.962 1.759 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.288 8.650 -0.391 1.00 0.00 O ATOM 0 H GLU A 39 -5.235 6.454 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.495 9.056 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.072 6.747 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.751 8.274 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.906 6.597 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.445 6.504 1.758 1.00 0.00 H new ATOM 647 N ARG A 40 -3.517 8.527 1.106 1.00 0.00 N ATOM 648 CA ARG A 40 -2.328 9.222 1.579 1.00 0.00 C ATOM 649 C ARG A 40 -2.002 10.345 0.609 1.00 0.00 C ATOM 650 O ARG A 40 -1.710 11.465 1.015 1.00 0.00 O ATOM 651 CB ARG A 40 -1.145 8.248 1.690 1.00 0.00 C ATOM 652 CG ARG A 40 0.145 8.852 2.221 1.00 0.00 C ATOM 653 CD ARG A 40 -0.028 9.399 3.624 1.00 0.00 C ATOM 654 NE ARG A 40 1.246 9.862 4.177 1.00 0.00 N ATOM 655 CZ ARG A 40 1.448 10.269 5.432 1.00 0.00 C ATOM 656 NH1 ARG A 40 0.439 10.338 6.295 1.00 0.00 N ATOM 657 NH2 ARG A 40 2.667 10.618 5.814 1.00 0.00 N ATOM 0 H ARG A 40 -3.359 7.558 0.831 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.515 9.636 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.435 7.422 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.950 7.825 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.929 8.095 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.473 9.651 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.741 10.223 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.447 8.626 4.269 1.00 0.00 H new ATOM 0 HE ARG A 40 2.049 9.875 3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.502 10.078 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.606 10.651 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.441 10.574 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.832 10.930 6.771 1.00 0.00 H new ATOM 671 N GLU A 41 -2.089 10.038 -0.666 1.00 0.00 N ATOM 672 CA GLU A 41 -1.851 11.005 -1.700 1.00 0.00 C ATOM 673 C GLU A 41 -3.042 11.947 -1.846 1.00 0.00 C ATOM 674 O GLU A 41 -2.928 13.129 -1.606 1.00 0.00 O ATOM 675 CB GLU A 41 -1.613 10.326 -3.056 1.00 0.00 C ATOM 676 CG GLU A 41 -0.458 9.344 -3.107 1.00 0.00 C ATOM 677 CD GLU A 41 -0.222 8.836 -4.509 1.00 0.00 C ATOM 678 OE1 GLU A 41 -0.923 7.896 -4.963 1.00 0.00 O ATOM 679 OE2 GLU A 41 0.650 9.407 -5.206 1.00 0.00 O ATOM 0 H GLU A 41 -2.327 9.108 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.962 11.565 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.524 9.802 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.441 11.100 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.447 9.826 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.665 8.503 -2.445 1.00 0.00 H new ATOM 686 N GLY A 42 -4.201 11.385 -2.136 1.00 0.00 N ATOM 687 CA GLY A 42 -5.350 12.177 -2.545 1.00 0.00 C ATOM 688 C GLY A 42 -6.151 12.804 -1.431 1.00 0.00 C ATOM 689 O GLY A 42 -6.864 13.783 -1.655 1.00 0.00 O ATOM 0 H GLY A 42 -4.373 10.380 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.002 12.970 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.014 11.542 -3.130 1.00 0.00 H new ATOM 693 N ARG A 43 -6.071 12.278 -0.247 1.00 0.00 N ATOM 694 CA ARG A 43 -6.838 12.858 0.835 1.00 0.00 C ATOM 695 C ARG A 43 -6.013 13.943 1.501 1.00 0.00 C ATOM 696 O ARG A 43 -6.556 14.876 2.093 1.00 0.00 O ATOM 697 CB ARG A 43 -7.262 11.784 1.841 1.00 0.00 C ATOM 698 CG ARG A 43 -8.286 12.215 2.874 1.00 0.00 C ATOM 699 CD ARG A 43 -9.584 12.611 2.207 1.00 0.00 C ATOM 700 NE ARG A 43 -10.063 11.564 1.304 1.00 0.00 N ATOM 701 CZ ARG A 43 -10.973 11.726 0.347 1.00 0.00 C ATOM 702 NH1 ARG A 43 -11.693 12.853 0.280 1.00 0.00 N ATOM 703 NH2 ARG A 43 -11.181 10.742 -0.516 1.00 0.00 N ATOM 0 H ARG A 43 -5.501 11.469 0.001 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.751 13.301 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.666 10.935 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.373 11.431 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.466 11.401 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.897 13.054 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.339 12.811 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.440 13.536 1.649 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.666 10.631 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.545 13.594 0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.389 12.971 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.647 9.876 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.875 10.850 -1.255 1.00 0.00 H new ATOM 717 N ARG A 44 -4.699 13.844 1.369 1.00 0.00 N ATOM 718 CA ARG A 44 -3.826 14.815 1.968 1.00 0.00 C ATOM 719 C ARG A 44 -3.468 15.908 0.928 1.00 0.00 C ATOM 720 O ARG A 44 -3.519 17.085 1.249 1.00 0.00 O ATOM 721 CB ARG A 44 -2.612 14.111 2.614 1.00 0.00 C ATOM 722 CG ARG A 44 -1.996 14.842 3.819 1.00 0.00 C ATOM 723 CD ARG A 44 -1.118 16.004 3.418 1.00 0.00 C ATOM 724 NE ARG A 44 0.050 15.527 2.692 1.00 0.00 N ATOM 725 CZ ARG A 44 0.581 16.112 1.635 1.00 0.00 C ATOM 726 NH1 ARG A 44 0.165 17.315 1.250 1.00 0.00 N ATOM 727 NH2 ARG A 44 1.554 15.519 0.976 1.00 0.00 N ATOM 0 H ARG A 44 -4.225 13.102 0.854 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.325 15.336 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.917 13.114 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.841 13.982 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.796 15.204 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.409 14.135 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.683 16.698 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.804 16.554 4.305 1.00 0.00 H new ATOM 0 HE ARG A 44 0.494 14.672 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.569 17.792 1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.580 17.761 0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.897 14.608 1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.965 15.970 0.159 1.00 0.00 H new ATOM 741 N GLU A 45 -3.128 15.518 -0.314 1.00 0.00 N ATOM 742 CA GLU A 45 -2.979 16.490 -1.415 1.00 0.00 C ATOM 743 C GLU A 45 -3.612 15.962 -2.720 1.00 0.00 C ATOM 744 O GLU A 45 -2.979 15.250 -3.525 1.00 0.00 O ATOM 745 CB GLU A 45 -1.530 17.047 -1.626 1.00 0.00 C ATOM 746 CG GLU A 45 -0.426 16.052 -1.987 1.00 0.00 C ATOM 747 CD GLU A 45 0.905 16.762 -2.236 1.00 0.00 C ATOM 748 OE1 GLU A 45 1.726 16.887 -1.299 1.00 0.00 O ATOM 749 OE2 GLU A 45 1.146 17.237 -3.363 1.00 0.00 O ATOM 0 H GLU A 45 -2.953 14.549 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.542 17.367 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.572 17.799 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.232 17.559 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.309 15.328 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.714 15.493 -2.877 1.00 0.00 H new ATOM 756 N VAL A 46 -4.881 16.267 -2.885 1.00 0.00 N ATOM 757 CA VAL A 46 -5.662 15.821 -4.024 1.00 0.00 C ATOM 758 C VAL A 46 -5.246 16.534 -5.309 1.00 0.00 C ATOM 759 O VAL A 46 -4.934 17.737 -5.296 1.00 0.00 O ATOM 760 CB VAL A 46 -7.204 16.007 -3.774 1.00 0.00 C ATOM 761 CG1 VAL A 46 -7.582 17.468 -3.580 1.00 0.00 C ATOM 762 CG2 VAL A 46 -8.036 15.380 -4.885 1.00 0.00 C ATOM 0 H VAL A 46 -5.408 16.839 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.460 14.757 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.430 15.482 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.656 17.547 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.048 17.871 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.313 18.035 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.095 15.530 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.785 15.849 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.825 14.312 -4.939 1.00 0.00 H new ATOM 772 N ASP A 47 -5.186 15.782 -6.386 1.00 0.00 N ATOM 773 CA ASP A 47 -4.932 16.324 -7.698 1.00 0.00 C ATOM 774 C ASP A 47 -6.215 16.854 -8.232 1.00 0.00 C ATOM 775 O ASP A 47 -6.392 18.079 -8.274 1.00 0.00 O ATOM 776 CB ASP A 47 -4.351 15.288 -8.684 1.00 0.00 C ATOM 777 CG ASP A 47 -2.929 14.909 -8.390 1.00 0.00 C ATOM 778 OD1 ASP A 47 -2.026 15.759 -8.562 1.00 0.00 O ATOM 779 OD2 ASP A 47 -2.672 13.740 -7.990 1.00 0.00 O ATOM 780 OXT ASP A 47 -7.107 16.032 -8.537 1.00 0.00 O ATOM 0 H ASP A 47 -5.313 14.770 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.181 17.107 -7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.969 14.391 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.409 15.689 -9.696 1.00 0.00 H new TER 785 ASP A 47